External Set (75)
 OpenBabel02101614303D

 70 72  0  0  0  0  0  0  0  0999 V2000
    0.8176   -0.4567    6.1603 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2846    0.1331    5.2221 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.2989    1.0935    4.1189 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4113    0.4867    3.1963 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6490    0.0124    4.0070 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1892   -1.2344    5.2519 S   0  3  2  0  0  0  0  0  0  0  0  0
   -0.7757    1.5191    3.2748 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8204    1.5027    2.1779 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3883    0.8463    6.0844 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5868    1.0142    1.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8057    2.0977    0.0027 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0286    2.1850   -1.1783 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2367    3.1893   -2.1659 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2714    4.1288   -1.9058 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0529    4.0625   -0.7412 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8226    3.0542    0.2059 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0660   -0.0787    7.0435 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0977   -0.9312    6.5955 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6164   -1.9495    7.4201 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1478   -2.0843    8.7452 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1712   -1.1867    9.2333 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6440   -0.1888    8.3908 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3729    3.2248   -3.4209 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7536    4.3523   -4.4449 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1162    3.4782   -3.0105 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4993    1.8686   -4.1969 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7309   -1.2767   10.4604 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6219   -3.0776    9.5284 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5730   -2.7859    6.9029 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1051   -4.0433    6.3422 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3841   -4.9035    6.1080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0920   -5.0326    7.2802 F   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2165   -4.3371    5.1707 F   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0799   -6.1804    5.6999 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2312   -3.8669    5.0558 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9837   -5.0576    4.4160 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8329   -3.0174    4.1590 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9936   -3.3595    5.3703 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.4871   -2.5196    4.3707 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.2436    0.3321    6.7843 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4070   -1.2290    6.8131 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7567   -0.7081    4.7027 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7019    1.9840    4.6096 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9741   -0.3726    2.6767 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1052    0.8623    4.5210 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3919   -0.4445    3.3543 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3853    2.1868    2.6725 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3874    2.2089    2.6525 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9359    1.6848    6.6219 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1442    1.2810    5.4259 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5629    0.6347    1.3097 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    0.1814    0.5408 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2919    1.4901   -1.3163 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4814    4.8841   -2.5584 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7965    4.7462   -0.5832 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4126    3.0171    1.0412 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4590   -0.8357    5.6445 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9211    0.4391    8.7553 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1063    4.3290   -5.3255 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6511    5.3405   -3.9918 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7831    4.2310   -4.7898 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7598    3.5497   -3.8908 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2004    4.4147   -2.4531 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5077    2.6753   -2.3839 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9286    1.8919   -5.1292 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1249    1.0270   -3.6125 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5448    1.6699   -4.4464 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3118   -3.6689    9.1929 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2762   -3.2109   10.4241 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5008   -4.5793    7.0842 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 40  1  0  0  0  0
  1 41  1  0  0  0  0
  2  3  1  0  0  0  0
  2  9  1  0  0  0  0
  2 42  1  6  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  3 43  1  1  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  4 44  1  6  0  0  0
  5  6  1  0  0  0  0
  5 45  1  0  0  0  0
  5 46  1  0  0  0  0
  6  1  1  0  0  0  0
  6 39  1  6  0  0  0
  7 47  1  0  0  0  0
  8 10  1  0  0  0  0
  8 48  1  0  0  0  0
  9 17  1  0  0  0  0
  9 49  1  0  0  0  0
  9 50  1  0  0  0  0
 10 11  1  0  0  0  0
 10 51  1  0  0  0  0
 10 52  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 53  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 54  1  0  0  0  0
 15 16  2  0  0  0  0
 15 55  1  0  0  0  0
 16 11  1  0  0  0  0
 16 56  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 57  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
 20 28  1  0  0  0  0
 21 22  2  0  0  0  0
 21 27  1  0  0  0  0
 22 17  1  0  0  0  0
 22 58  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
 24 59  1  0  0  0  0
 24 60  1  0  0  0  0
 24 61  1  0  0  0  0
 25 62  1  0  0  0  0
 25 63  1  0  0  0  0
 25 64  1  0  0  0  0
 26 65  1  0  0  0  0
 26 66  1  0  0  0  0
 26 67  1  0  0  0  0
 28 68  1  0  0  0  0
 28 69  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 35  1  0  0  0  0
 30 70  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  CHG  2   6   1  39  -1
M  END
$$$$
External Set (76)
 OpenBabel02101614303D

 64 66  0  0  0  0  0  0  0  0999 V2000
    0.2993   -1.5750    5.3880 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5858   -0.4509    4.7602 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.2166    0.8867    4.5399 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4944    0.7692    3.6409 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5417   -0.2198    4.2266 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8335   -1.8803    4.4561 S   0  3  2  0  0  0  0  0  0  0  0  0
   -0.6494    1.8485    3.9311 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1095    2.1201    3.4640 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8736   -0.2141    5.6300 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0922    2.2663    2.3588 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5328    3.6781    2.2129 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0194    4.5090    1.1883 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4498    5.8508    0.9929 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4307    6.3387    1.8985 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9542    5.5321    2.9236 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5075    4.2119    3.0819 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7302   -1.4280    5.7955 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6708   -1.7871    4.8039 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4141   -2.9819    4.9024 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2228   -3.8378    6.0103 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3198   -3.4680    7.0299 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5904   -2.2688    6.9249 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8603    6.6876   -0.1381 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4666    8.1306   -0.2662 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3231    6.8690    0.1005 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1069    5.9870   -1.5198 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3354   -2.3759    2.8989 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.1390   -4.2307    8.0754 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8910   -5.0112    6.0868 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3301   -3.2878    3.9303 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7480   -3.9640    2.8027 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5746   -1.3040    6.4096 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2349   -2.5253    5.4134 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9169   -0.7974    3.7753 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5106    1.2848    5.5155 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1702    0.4026    2.6608 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9028    0.1420    5.1934 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3928   -0.3339    3.5564 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1421    2.6861    3.9212 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5781    2.3639    4.3397 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4832    0.5741    5.1777 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5742    0.1661    6.6109 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9758    1.6521    2.5444 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6411    1.9127    1.4276 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3129    4.1171    0.5655 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7891    7.2914    1.8332 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6674    5.9073    3.5530 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9089    3.6377    3.8294 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8119   -1.1809    3.9934 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9298   -2.0216    7.6659 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0127    8.6826   -1.0935 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2957    8.7114    0.6427 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5419    8.0871   -0.4535 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8762    7.4977   -0.6738 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1409    7.3435    1.0684 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7934    5.9152    0.0889 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7362    6.6013   -2.3446 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6004    5.0234   -1.5884 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1751    5.8188   -1.6790 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7311   -5.6155    6.8296 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5170   -5.2651    5.3894 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5423   -4.1758    2.0885 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0024   -3.3413    2.3035 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2930   -4.9131    3.0948 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 32  1  0  0  0  0
  1 33  1  0  0  0  0
  2  3  1  0  0  0  0
  2  9  1  0  0  0  0
  2 34  1  6  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  3 35  1  1  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  4 36  1  6  0  0  0
  5  6  1  0  0  0  0
  5 37  1  0  0  0  0
  5 38  1  0  0  0  0
  6  1  1  0  0  0  0
  6 27  1  6  0  0  0
  7 39  1  0  0  0  0
  8 10  1  0  0  0  0
  8 40  1  0  0  0  0
  9 17  1  0  0  0  0
  9 41  1  0  0  0  0
  9 42  1  0  0  0  0
 10 11  1  0  0  0  0
 10 43  1  0  0  0  0
 10 44  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 45  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 46  1  0  0  0  0
 15 16  2  0  0  0  0
 15 47  1  0  0  0  0
 16 11  1  0  0  0  0
 16 48  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 49  1  0  0  0  0
 19 20  2  0  0  0  0
 19 30  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 28  1  0  0  0  0
 22 17  1  0  0  0  0
 22 50  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
 24 51  1  0  0  0  0
 24 52  1  0  0  0  0
 24 53  1  0  0  0  0
 25 54  1  0  0  0  0
 25 55  1  0  0  0  0
 25 56  1  0  0  0  0
 26 57  1  0  0  0  0
 26 58  1  0  0  0  0
 26 59  1  0  0  0  0
 29 60  1  0  0  0  0
 29 61  1  0  0  0  0
 30 31  1  0  0  0  0
 31 62  1  0  0  0  0
 31 63  1  0  0  0  0
 31 64  1  0  0  0  0
M  CHG  2   6   1  27  -1
M  END
$$$$
External Set (77)
 OpenBabel02101614303D

 67 69  0  0  0  0  0  0  0  0999 V2000
    0.8620   -0.4783    6.1886 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2943    0.0544    5.1846 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.2748    1.1125    4.0823 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3951    0.4975    3.1706 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6361    0.0419    3.9879 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2136   -1.2249    5.2254 S   0  3  2  0  0  0  0  0  0  0  0  0
   -0.7480    1.6069    3.1688 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8106    1.4950    2.1364 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4362    0.7183    6.0218 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6018    1.0016    0.9801 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8232    2.0907   -0.0067 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0403    2.1856   -1.1809 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2456    3.1906   -2.1675 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2824    4.1270   -1.9093 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0654    4.0580   -0.7433 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8388    3.0475    0.2030 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0749   -0.2071    7.0077 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1135   -1.0802    6.6130 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6554   -2.0282    7.5084 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1658   -2.1033    8.8323 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1576   -1.2092    9.2517 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6266   -0.2678    8.3488 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3766    3.2238   -3.4175 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7548    4.3502   -4.4430 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1120    3.4732   -3.0014 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5012    1.8643   -4.1884 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4963   -2.4979    4.3388 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.6898   -1.2487   10.4724 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6449   -3.0376    9.6845 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6573   -2.8625    7.0808 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1661   -4.0442    6.4147 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3515   -4.9311    5.9744 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8939   -6.0692    5.3559 F   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1022   -5.3069    7.0618 F   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1600   -4.2594    5.0896 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.3558    0.3021    6.8235 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5630   -1.2822    6.9076 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7166   -0.7984    4.6446 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7149    2.0487    4.5213 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9649   -0.3697    2.6595 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0765    0.8974    4.5015 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3957   -0.3919    3.3417 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3041    2.2900    2.6252 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3541    2.2228    2.6048 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0248    1.5880    6.5431 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2060    1.1026    5.3456 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5752    0.6279    1.3036 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0741    0.1656    0.5146 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2992    1.4954   -1.3140 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4933    4.8795   -2.5647 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8072    4.7432   -0.5838 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4261    3.0097    1.0415 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4738   -1.0406    5.6572 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8889    0.3642    8.6704 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1033    4.3224   -5.3202 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6533    5.3393   -3.9901 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7836    4.2281   -4.7911 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7583    3.5433   -3.8795 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1972    4.4080   -2.4413 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4985    2.6671   -2.3754 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9288    1.8842   -5.1188 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1261    1.0259   -3.5998 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5461    1.6627   -4.4380 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3476   -3.6420    9.4006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2828   -3.1177   10.5812 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5840   -3.7682    5.5289 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5264   -4.6219    7.0901 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 36  1  0  0  0  0
  1 37  1  0  0  0  0
  2  3  1  0  0  0  0
  2  9  1  0  0  0  0
  2 38  1  6  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  3 39  1  1  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  4 40  1  6  0  0  0
  5  6  1  0  0  0  0
  5 41  1  0  0  0  0
  5 42  1  0  0  0  0
  6  1  1  0  0  0  0
  6 27  1  6  0  0  0
  7 43  1  0  0  0  0
  8 10  1  0  0  0  0
  8 44  1  0  0  0  0
  9 17  1  0  0  0  0
  9 45  1  0  0  0  0
  9 46  1  0  0  0  0
 10 11  1  0  0  0  0
 10 47  1  0  0  0  0
 10 48  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 49  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 50  1  0  0  0  0
 15 16  2  0  0  0  0
 15 51  1  0  0  0  0
 16 11  1  0  0  0  0
 16 52  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 53  1  0  0  0  0
 19 20  2  0  0  0  0
 19 30  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 28  1  0  0  0  0
 22 17  1  0  0  0  0
 22 54  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
 24 55  1  0  0  0  0
 24 56  1  0  0  0  0
 24 57  1  0  0  0  0
 25 58  1  0  0  0  0
 25 59  1  0  0  0  0
 25 60  1  0  0  0  0
 26 61  1  0  0  0  0
 26 62  1  0  0  0  0
 26 63  1  0  0  0  0
 29 64  1  0  0  0  0
 29 65  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 66  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
M  CHG  2   6   1  27  -1
M  END
$$$$
External Set (78)
 OpenBabel02101614303D

 74 76  0  0  0  0  0  0  0  0999 V2000
    1.6826    5.4714    1.0239 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9895    4.5271   -0.1800 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4242    4.7658   -0.7821 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.6262    4.6290    0.2159 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5180    5.6369    1.3937 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9639    5.4211    2.3137 S   0  3  2  0  0  0  0  0  0  0  0  0
    3.6356    3.8268   -1.8401 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9147    4.8282   -0.5218 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8657    4.7048   -1.3113 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1624    4.3930    0.1618 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3455    4.5277   -0.7317 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9061    3.4079   -1.3929 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0609    3.5008   -2.2232 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6333    4.7924   -2.3738 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0907    5.9173   -1.7322 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9577    5.7860   -0.9168 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4891    4.3477   -0.7813 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9090    3.0009   -0.7388 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1071    2.6223   -0.0995 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9478    3.6128    0.4565 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5765    4.9712    0.3600 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3623    5.3313   -0.2567 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6252    2.2565   -2.8962 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9889    1.1836   -1.8118 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5554    1.6864   -3.8870 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9329    2.5012   -3.7334 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9783    3.8060    2.8696 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.3355    5.9134    0.8544 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0930    3.2616    1.0841 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4295    1.2906   -0.0410 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9867    0.6007    1.1574 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.6831   -0.7888    1.1734 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3447   -1.5440    0.0761 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3634   -1.5010    2.3048 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0481   -0.6318    1.1674 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4346    0.4941    1.2637 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1345   -0.0697    0.0643 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5733   -0.0688    0.0451 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5955    6.5016    0.6736 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7522    5.1894    1.5174 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9538    3.4946    0.1860 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4524    5.7655   -1.2199 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6095    3.6076    0.6155 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5520    6.6612    1.0148 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3302    5.4966    2.1031 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4864    4.0863   -2.2503 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0004    5.8265   -0.7340 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1110    3.9189   -2.0962 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7692    5.7885   -1.7323 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3356    4.9922    1.0579 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0496    3.3560    0.4866 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4541    2.5008   -1.2556 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4601    4.9477   -2.9495 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5291    6.8337   -1.8526 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5908    6.6179   -0.4480 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3237    2.2747   -1.1569 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1029    6.3207   -0.2953 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4425    0.3019   -2.2705 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1115    0.8423   -1.2600 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7015    1.5951   -1.0924 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9433    0.8143   -4.4182 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2841    2.4426   -4.6284 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6440    1.3769   -3.3717 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2930    1.5770   -4.1905 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7524    3.2140   -4.5414 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7352    2.8877   -3.0997 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6496    3.9363    1.5064 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3610    2.3306    1.1264 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3395    1.1372    2.0477 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1657   -0.1184    2.1270 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0298    1.4940    1.4409 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9625    0.9515    0.0727 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9121   -0.5371   -0.8803 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9748   -0.6362    0.8880 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 39  1  0  0  0  0
  1 40  1  0  0  0  0
  2  3  1  0  0  0  0
  2  9  1  0  0  0  0
  2 41  1  1  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  3 42  1  6  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  4 43  1  1  0  0  0
  5  6  1  0  0  0  0
  5 44  1  0  0  0  0
  5 45  1  0  0  0  0
  6  1  1  0  0  0  0
  6 27  1  6  0  0  0
  7 46  1  0  0  0  0
  8 10  1  0  0  0  0
  8 47  1  0  0  0  0
  9 17  1  0  0  0  0
  9 48  1  0  0  0  0
  9 49  1  0  0  0  0
 10 11  1  0  0  0  0
 10 50  1  0  0  0  0
 10 51  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 52  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 53  1  0  0  0  0
 15 16  2  0  0  0  0
 15 54  1  0  0  0  0
 16 11  1  0  0  0  0
 16 55  1  0  0  0  0
 17 18  2  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 30  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 28  1  0  0  0  0
 22 17  1  0  0  0  0
 22 57  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
 24 58  1  0  0  0  0
 24 59  1  0  0  0  0
 24 60  1  0  0  0  0
 25 61  1  0  0  0  0
 25 62  1  0  0  0  0
 25 63  1  0  0  0  0
 26 64  1  0  0  0  0
 26 65  1  0  0  0  0
 26 66  1  0  0  0  0
 29 67  1  0  0  0  0
 29 68  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 36  1  0  0  0  0
 31 69  1  1  0  0  0
 32 33  1  0  0  0  0
 32 34  1  0  0  0  0
 32 35  1  0  0  0  0
 36 37  1  0  0  0  0
 36 70  1  0  0  0  0
 36 71  1  0  0  0  0
 37 38  1  0  0  0  0
 38 72  1  0  0  0  0
 38 73  1  0  0  0  0
 38 74  1  0  0  0  0
M  CHG  2   6   1  27  -1
M  END
$$$$
External Set (79)
 OpenBabel02101614303D

 71 73  0  0  0  0  0  0  0  0999 V2000
    0.8708   -0.4526    6.1666 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2382    0.1374    5.2387 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.3466    1.1037    4.1427 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4548    0.4939    3.2155 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.7012   -0.0134    3.9953 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2264   -1.2471    5.2468 S   0  3  2  0  0  0  0  0  0  0  0  0
   -0.7367    1.5244    3.3062 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8634    1.5156    2.2053 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3516    0.8391    6.1028 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5626    1.0112    0.9973 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7825    2.0974    0.0071 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0173    2.1826   -1.1828 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2276    3.1905   -2.1682 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2607    4.1285   -1.8903 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0306    4.0645   -0.7141 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7883    3.0597    0.2331 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0389   -0.0923    7.0450 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0577   -0.9508    6.5770 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6105   -1.9489    7.4038 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1761   -2.0596    8.7443 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2169   -1.1558    9.2487 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6598   -0.1758    8.4057 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3681    3.2335   -3.4315 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7533    4.3691   -4.4494 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1287    3.4701   -3.0323 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4840    1.8804   -4.2167 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4875   -2.5142    4.3705 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.8138   -1.2238   10.4898 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6684   -3.0400    9.5315 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5844   -2.7708    6.8906 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1338   -4.0339    6.3337 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.3930   -4.9296    6.1281 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0383   -5.1342    7.3244 F   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0601   -6.1699    5.6352 F   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2986   -4.3537    5.2688 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3092   -3.8446    5.0240 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0198   -3.0475    4.0812 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3084    0.3352    6.7836 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4537   -1.2185    6.8221 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7055   -0.7022    4.7103 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7461    1.9971    4.6318 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0043   -0.3567    2.6936 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1957    0.8203    4.4993 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4198   -0.4899    3.3263 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3569    2.1730    2.6773 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4756    2.1884    2.6731 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9058    1.6713    6.6572 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1122    1.2794    5.4506 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5283    0.5817    1.2700 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9696    0.2111    0.5509 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2841    1.4855   -1.3250 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4799    4.8831   -2.5403 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7740    4.7484   -0.5440 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3563    3.0309    1.0855 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3996   -0.8599    5.6199 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9543    0.4588    8.7842 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1152    4.3435   -5.3366 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6397    5.3583   -3.9973 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7880    4.2565   -4.7869 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7708    3.5260   -3.9158 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2358    4.4064   -2.4786 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5096    2.6607   -2.4069 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9060    1.9083   -5.1449 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1051    1.0415   -3.6316 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5248    1.6731   -4.4756 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3227   -3.6617    9.1777 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3547   -3.1451   10.4440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4923   -4.5514    7.0567 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3602   -3.3539    5.2488 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0714   -4.8054    4.5663 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3940   -2.9019    3.3406 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 38  1  0  0  0  0
  1 39  1  0  0  0  0
  2  3  1  0  0  0  0
  2  9  1  0  0  0  0
  2 40  1  6  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  3 41  1  1  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  4 42  1  6  0  0  0
  5  6  1  0  0  0  0
  5 43  1  0  0  0  0
  5 44  1  0  0  0  0
  6  1  1  0  0  0  0
  6 27  1  6  0  0  0
  7 45  1  0  0  0  0
  8 10  1  0  0  0  0
  8 46  1  0  0  0  0
  9 17  1  0  0  0  0
  9 47  1  0  0  0  0
  9 48  1  0  0  0  0
 10 11  1  0  0  0  0
 10 49  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
 12 51  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 52  1  0  0  0  0
 15 16  2  0  0  0  0
 15 53  1  0  0  0  0
 16 11  1  0  0  0  0
 16 54  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 55  1  0  0  0  0
 19 20  2  0  0  0  0
 19 30  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 28  1  0  0  0  0
 22 17  1  0  0  0  0
 22 56  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
 24 57  1  0  0  0  0
 24 58  1  0  0  0  0
 24 59  1  0  0  0  0
 25 60  1  0  0  0  0
 25 61  1  0  0  0  0
 25 62  1  0  0  0  0
 26 63  1  0  0  0  0
 26 64  1  0  0  0  0
 26 65  1  0  0  0  0
 29 66  1  0  0  0  0
 29 67  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 36  1  0  0  0  0
 31 68  1  1  0  0  0
 32 33  1  0  0  0  0
 32 34  1  0  0  0  0
 32 35  1  0  0  0  0
 36 37  1  0  0  0  0
 36 69  1  0  0  0  0
 36 70  1  0  0  0  0
 37 71  1  0  0  0  0
M  CHG  2   6   1  27  -1
M  END
$$$$
External Set (80)
 OpenBabel02101614303D

 61 63  0  0  0  0  0  0  0  0999 V2000
    0.4682   -1.2451    6.0745 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3784   -0.3269    5.1352 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.3174    1.0611    4.8943 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.7167    0.9733    4.2026 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.7523    0.1950    5.0614 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1627   -1.4886    5.4442 S   0  3  2  0  0  0  0  0  0  0  0  0
   -0.5290    1.8706    4.0749 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2094    2.3558    3.9413 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8294   -0.1583    5.7107 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1960    2.5008    2.8484 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5295    3.9310    2.6295 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1782    4.5793    1.4234 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5405    5.9241    1.1365 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2824    6.6066    2.1372 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6070    5.9952    3.3595 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2294    4.6673    3.6079 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5885   -1.4369    5.8312 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7530   -2.0623    7.0885 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4373   -3.2873    7.2068 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9686   -3.9105    6.0572 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8355   -3.2845    4.7982 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1494   -2.0583    4.6906 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1270    6.5550   -0.1854 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6189    8.0323   -0.3873 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5627    6.5884   -0.2690 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7101    5.7220   -1.3793 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9632   -2.2552    3.9295 O   0  5  0  0  0  0  0  0  0  0  0  0
   -4.3401   -3.8278    3.7192 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6034   -5.0970    6.1626 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5775   -3.8617    8.4302 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5747   -0.7201    7.0752 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0135   -2.2836    6.0731 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4667   -0.8230    4.1629 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4298    1.5736    5.8546 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5808    0.4514    3.2478 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9266    0.7229    6.0032 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7052    0.1117    4.5384 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0949    2.7481    4.0495 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6403    2.7030    4.8008 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4155    0.5133    5.0779 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7667    0.3284    6.6882 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1122    1.9552    3.0852 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7788    2.0627    1.9381 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6456    4.0476    0.7334 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6020    7.5651    2.0028 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1281    6.5162    4.0675 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4792    4.2388    4.5014 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3651   -1.6302    7.9308 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0648   -1.6182    3.7701 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2864    8.4345   -1.3484 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2230    8.6838    0.3952 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7100    8.0851   -0.3676 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2289    7.0604   -1.1959 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1491    7.1528    0.5708 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1325    5.5854   -0.2442 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4482    6.1723   -2.3398 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3241    4.7013   -1.3899 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8001    5.6702   -1.3117 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6721   -5.5390    7.0255 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9853   -5.5151    5.3731 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1266   -3.2601    9.0600 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  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  9  1  0  0  0  0
  2 33  1  6  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  3 34  1  1  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  4 35  1  6  0  0  0
  5  6  1  0  0  0  0
  5 36  1  0  0  0  0
  5 37  1  0  0  0  0
  6  1  1  0  0  0  0
  6 27  1  6  0  0  0
  7 38  1  0  0  0  0
  8 10  1  0  0  0  0
  8 39  1  0  0  0  0
  9 17  1  0  0  0  0
  9 40  1  0  0  0  0
  9 41  1  0  0  0  0
 10 11  1  0  0  0  0
 10 42  1  0  0  0  0
 10 43  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 44  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 45  1  0  0  0  0
 15 16  2  0  0  0  0
 15 46  1  0  0  0  0
 16 11  1  0  0  0  0
 16 47  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 48  1  0  0  0  0
 19 20  2  0  0  0  0
 19 30  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 28  1  0  0  0  0
 22 17  1  0  0  0  0
 22 49  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
 24 50  1  0  0  0  0
 24 51  1  0  0  0  0
 24 52  1  0  0  0  0
 25 53  1  0  0  0  0
 25 54  1  0  0  0  0
 25 55  1  0  0  0  0
 26 56  1  0  0  0  0
 26 57  1  0  0  0  0
 26 58  1  0  0  0  0
 29 59  1  0  0  0  0
 29 60  1  0  0  0  0
 30 61  1  0  0  0  0
M  CHG  2   6   1  27  -1
M  END
$$$$
External Set (81)
 OpenBabel02101614303D

 49 50  0  0  0  0  0  0  0  0999 V2000
    1.9086    5.4963    0.9951 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0772    4.5545   -0.2395 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4680    4.7306   -0.9458 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.7078    4.5032   -0.0231 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.7729    5.4836    1.1750 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2714    5.3428    2.1968 S   0  3  2  0  0  0  0  0  0  0  0  0
    3.5611    3.7954   -2.0240 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9471    4.6406   -0.8070 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8971    4.7653   -1.2524 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4339    4.3941   -0.6963 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8157    3.0366   -0.6455 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0281    2.6388   -0.0466 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8948    3.6199    0.4851 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5440    4.9865    0.4050 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3243    5.3670   -0.1896 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3355    5.9129    0.8793 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0529    3.2470    1.0680 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3525    1.3030   -0.0248 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9755    0.5822    1.1775 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.7174   -0.7864    1.1665 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0788   -0.5988    1.1352 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4435   -1.5143    2.3002 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3808   -1.5464    0.0725 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4292    0.4314    1.3208 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1384   -0.1076    0.1091 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5770   -0.1050    0.0672 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2298    3.7166    2.7188 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.8726    6.5370    0.6672 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9871    5.2722    1.5342 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0310    3.5231    0.1236 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5234    5.7355   -1.3754 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6829    3.4778    0.3582 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8415    6.5132    0.8159 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6412    5.2706    1.8022 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4110    3.9970   -2.4687 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7304    4.4727   -0.1715 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0064    5.6161   -1.1096 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0576    4.1635   -2.1501 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8891    5.8052   -1.5878 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2001    2.3236   -1.0410 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0808    6.3605   -0.2377 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2930    2.3083    1.1169 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6439    3.9140    1.4500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3424    1.1216    2.0586 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0059    1.4168    1.5386 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1913   -0.2213    2.1654 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9691    0.9134    0.1050 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8983   -0.5549   -0.8727 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9982   -0.6889    0.8877 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
  1 29  1  0  0  0  0
  2  3  1  0  0  0  0
  2  9  1  0  0  0  0
  2 30  1  1  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  3 31  1  6  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  4 32  1  1  0  0  0
  5  6  1  0  0  0  0
  5 33  1  0  0  0  0
  5 34  1  0  0  0  0
  6  1  1  0  0  0  0
  6 27  1  6  0  0  0
  7 35  1  0  0  0  0
  8 36  1  0  0  0  0
  8 37  1  0  0  0  0
  9 10  1  0  0  0  0
  9 38  1  0  0  0  0
  9 39  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 40  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
 15 10  1  0  0  0  0
 15 41  1  0  0  0  0
 17 42  1  0  0  0  0
 17 43  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 24  1  0  0  0  0
 19 44  1  1  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
 24 45  1  0  0  0  0
 24 46  1  0  0  0  0
 25 26  1  0  0  0  0
 26 47  1  0  0  0  0
 26 48  1  0  0  0  0
 26 49  1  0  0  0  0
M  CHG  2   6   1  27  -1
M  END
$$$$
External Set (82)
 OpenBabel02101614303D

 71 73  0  0  0  0  0  0  0  0999 V2000
    1.6928    5.4757    1.0193 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9973    4.5344   -0.1879 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4321    4.7684   -0.7956 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.6343    4.6375    0.2022 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5323    5.6543    1.3706 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9837    5.4386    2.3000 S   0  3  2  0  0  0  0  0  0  0  0  0
    3.6381    3.8211   -1.8472 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9225    4.8176   -0.5361 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8736    4.6810   -1.2768 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1775    4.4575    0.1731 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3536    4.5202   -0.7329 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8586    3.3548   -1.3593 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0102    3.3908   -2.1873 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6450    4.6412   -2.3885 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1490    5.8096   -1.7846 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0119    5.7490   -0.9636 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4890    4.3373   -0.7688 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9166    2.9936   -0.7363 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1165    2.6205   -0.0968 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9544    3.6151    0.4565 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5758    4.9714    0.3635 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3579    5.3246   -0.2488 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5532    2.1451   -2.8289 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9955    1.0874   -1.7784 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5677    1.5520   -3.8738 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3331    5.9162    0.8558 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1071    3.2701    1.0709 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4386    1.2877   -0.0335 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9873    0.5949    1.1605 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.6786   -0.7978    1.1774 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3373   -1.5472    0.0766 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3543   -1.5137    2.3060 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0445   -0.6417    1.1748 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.0126    3.8279    2.8681 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.4345    0.4962    1.2709 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1371   -0.0659    0.0727 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5753   -0.0609    0.0445 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6005    6.5076    0.6761 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7615    5.1894    1.5102 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9672    3.5048    0.1827 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4628    5.7630   -1.2478 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6109    3.6236    0.6143 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5652    6.6752    0.9848 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3434    5.5215    2.0831 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4815    4.0789   -2.2749 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9907    5.7994   -0.8123 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1022    4.0329   -2.1274 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8793    5.7030   -1.6659 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3487    5.1406    1.0065 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0857    3.4550    0.5953 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3815    2.4631   -1.2029 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4790    4.7164   -2.9761 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6206    6.7049   -1.9364 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6750    6.6101   -0.5266 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3351    2.2684   -1.1575 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0919    6.3108   -0.2830 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4602    2.3946   -3.3899 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4855    0.2434   -2.2707 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1413    0.7071   -1.2145 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7084    1.5291   -1.0782 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0318    0.7122   -4.3975 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6495    1.1987   -3.3994 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3093    2.3103   -4.6169 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6599    3.9460    1.4922 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3807    2.3417    1.1094 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3453    1.1330    2.0462 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1669   -0.1180    2.1333 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0360    1.4985    1.4491 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9660    0.9587    0.0650 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9002   -0.5313   -0.8841 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9880   -0.6257    0.8834 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 38  1  0  0  0  0
  1 39  1  0  0  0  0
  2  3  1  0  0  0  0
  2  9  1  0  0  0  0
  2 40  1  1  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  3 41  1  6  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  4 42  1  1  0  0  0
  5  6  1  0  0  0  0
  5 43  1  0  0  0  0
  5 44  1  0  0  0  0
  6  1  1  0  0  0  0
  6 34  1  6  0  0  0
  7 45  1  0  0  0  0
  8 10  1  0  0  0  0
  8 46  1  0  0  0  0
  9 17  1  0  0  0  0
  9 47  1  0  0  0  0
  9 48  1  0  0  0  0
 10 11  1  0  0  0  0
 10 49  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
 12 51  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 52  1  0  0  0  0
 15 16  2  0  0  0  0
 15 53  1  0  0  0  0
 16 11  1  0  0  0  0
 16 54  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 55  1  0  0  0  0
 19 20  2  0  0  0  0
 19 28  1  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 26  1  0  0  0  0
 22 17  1  0  0  0  0
 22 56  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 57  1  0  0  0  0
 24 58  1  0  0  0  0
 24 59  1  0  0  0  0
 24 60  1  0  0  0  0
 25 61  1  0  0  0  0
 25 62  1  0  0  0  0
 25 63  1  0  0  0  0
 27 64  1  0  0  0  0
 27 65  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 35  1  0  0  0  0
 29 66  1  1  0  0  0
 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
 30 33  1  0  0  0  0
 35 36  1  0  0  0  0
 35 67  1  0  0  0  0
 35 68  1  0  0  0  0
 36 37  1  0  0  0  0
 37 69  1  0  0  0  0
 37 70  1  0  0  0  0
 37 71  1  0  0  0  0
M  CHG  2   6   1  34  -1
M  END
$$$$
External Set (83)
 OpenBabel02101614303D

 77 79  0  0  0  0  0  0  0  0999 V2000
    1.7369    5.5496    1.0510 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9977    4.5772   -0.1418 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4083    4.8102   -0.7976 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.6267    4.6490    0.1724 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.6023    5.6680    1.3445 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0604    5.5116    2.3029 S   0  3  2  0  0  0  0  0  0  0  0  0
    3.5653    3.8673   -1.8651 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8856    4.7615   -0.6235 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8495    4.6807   -1.2086 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1948    4.4322    0.0106 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2135    3.0834    0.6573 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7392    1.9445   -0.0332 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6673    0.6539    0.5586 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1909    0.5360    1.8742 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6835    1.6511    2.5763 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6787    2.9197    1.9783 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5079    4.3589   -0.6852 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9594    3.0214   -0.6204 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1927    2.6970   -0.0187 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0171    3.7296    0.4835 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6026    5.0743    0.3720 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3601    5.3829   -0.2128 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0236   -0.5005   -0.2026 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9359   -1.8415    0.6143 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8163   -0.8157   -1.5189 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5514   -0.1036   -0.5617 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3538    6.0518    0.8118 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2007    3.4355    1.0628 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5946    1.3855    0.0266 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2621    0.6504    1.2329 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.1530   -0.6244    1.2410 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9040   -1.4318    0.1574 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9717   -1.3674    2.3828 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4800   -0.2678    1.1996 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.0575    3.9053    2.8890 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.7402    0.3368    1.3215 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2848   -0.1954    0.0640 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1431   -0.2325   -0.0784 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3081    4.5398   -1.0608 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6386    6.5733    0.6855 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8192    5.2763    1.5710 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9851    3.5567    0.2543 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4342    5.8150   -1.2331 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5636    3.6426    0.5946 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6900    6.6881    0.9628 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4232    5.4819    2.0366 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3753    4.1370   -2.3440 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9442    5.7191   -0.9783 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0556    4.0071   -2.0437 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8527    5.6878   -1.6303 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4155    5.2112    0.7468 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4126    2.0794   -0.9902 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2147   -0.3641    2.3525 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0367    1.5446    3.5299 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0160    3.7236    2.5152 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3832    2.2706   -1.0084 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0681    6.3620   -0.2765 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4271   -2.6259    0.0480 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9329   -2.2115    0.8617 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3793   -1.6999    1.5437 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2588   -1.7010   -2.0558 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8853   -1.0330   -1.2144 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8956    0.1319   -2.1341 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0247   -0.9295   -1.0454 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5059    0.7459   -1.2462 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0105    0.1675    0.3479 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7653    4.1471    1.4029 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4897    2.5137    1.1437 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5361    1.2309    2.1217 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5394   -0.3842    2.1195 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2146    1.2661    1.5644 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5618    0.7755   -0.0519 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3852   -0.6743   -1.0446 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6033   -0.8386    0.7033 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3442    5.5548   -1.4632 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282    3.8475   -1.8862 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2815    4.3159   -0.6181 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 40  1  0  0  0  0
  1 41  1  0  0  0  0
  2  3  1  0  0  0  0
  2  9  1  0  0  0  0
  2 42  1  1  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  3 43  1  6  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  4 44  1  1  0  0  0
  5  6  1  0  0  0  0
  5 45  1  0  0  0  0
  5 46  1  0  0  0  0
  6  1  1  0  0  0  0
  6 35  1  6  0  0  0
  7 47  1  0  0  0  0
  8 10  1  0  0  0  0
  8 48  1  0  0  0  0
  9 17  1  0  0  0  0
  9 49  1  0  0  0  0
  9 50  1  0  0  0  0
 10 11  1  0  0  0  0
 10 39  1  0  0  0  0
 10 51  1  1  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 52  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 53  1  0  0  0  0
 15 16  2  0  0  0  0
 15 54  1  0  0  0  0
 16 11  1  0  0  0  0
 16 55  1  0  0  0  0
 17 18  2  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 29  1  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 27  1  0  0  0  0
 22 17  1  0  0  0  0
 22 57  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
 24 58  1  0  0  0  0
 24 59  1  0  0  0  0
 24 60  1  0  0  0  0
 25 61  1  0  0  0  0
 25 62  1  0  0  0  0
 25 63  1  0  0  0  0
 26 64  1  0  0  0  0
 26 65  1  0  0  0  0
 26 66  1  0  0  0  0
 28 67  1  0  0  0  0
 28 68  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 36  1  0  0  0  0
 30 69  1  1  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
 31 34  1  0  0  0  0
 36 37  1  0  0  0  0
 36 70  1  0  0  0  0
 36 71  1  0  0  0  0
 37 38  1  0  0  0  0
 38 72  1  0  0  0  0
 38 73  1  0  0  0  0
 38 74  1  0  0  0  0
 39 75  1  0  0  0  0
 39 76  1  0  0  0  0
 39 77  1  0  0  0  0
M  CHG  2   6   1  35  -1
M  END
$$$$
External Set (84)
 OpenBabel02101614303D

 74 76  0  0  0  0  0  0  0  0999 V2000
    1.6906    5.4959    1.0275 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9925    4.5488   -0.1764 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4239    4.7882   -0.7824 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.6213    4.6550    0.2181 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5252    5.6568    1.4018 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9699    5.4453    2.3228 S   0  3  2  0  0  0  0  0  0  0  0  0
    3.6347    3.8351   -1.8276 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9055    4.8563   -0.5177 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8683    4.7158   -1.3091 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1402    4.3738    0.1515 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3296    4.5144   -0.7321 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9000    3.3811   -1.3629 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0562    3.4535   -2.1893 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6250    4.7419   -2.3635 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0806    5.8807   -1.7490 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9387    5.7740   -0.9389 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4853    4.3533   -0.7823 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8958    3.0038   -0.7335 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0958    2.6209   -0.1018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9407    3.6101    0.4497 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5795    4.9718    0.3462 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3654    5.3360   -0.2691 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6192    2.1983   -2.8453 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9851    1.1322   -1.7550 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5524    1.6114   -3.8305 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9264    2.4297   -3.6871 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3565    5.9098    0.8234 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0824    3.2516    1.0748 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4096    1.2849   -0.0433 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9866    0.5934    1.1604 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.6929   -0.7930    1.1739 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3516   -1.5518    0.0794 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3804   -1.5012    2.3096 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0596   -0.6374    1.1622 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4348    0.4862    1.2803 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1337   -0.0743    0.0778 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5726   -0.0778    0.0487 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9889    3.8320    2.8832 O   0  5  0  0  0  0  0  0  0  0  0  0
    8.4702    6.8581   -0.3763 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.6017    6.5273    0.6778 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7569    5.2169    1.5149 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9567    3.5181    0.1918 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4512    5.7832   -1.2352 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6027    3.6355    0.6151 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5687    6.6814    1.0263 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3388    5.5124    2.1119 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4938    4.0784   -2.2342 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0083    5.8584   -0.6948 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1151    3.9269   -2.0921 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7734    5.7976   -1.7348 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3257    4.9402    1.0656 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9973    3.3300    0.4413 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4575    2.4744   -1.2115 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4503    4.8845   -2.9450 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5256    6.7902   -1.8947 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2971    2.2806   -1.1350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1105    6.3252   -0.3200 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4343    0.2448   -2.2087 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1085    0.7971   -1.1990 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7014    1.5451   -1.0405 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9361    0.7257   -4.3434 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2844    2.3523   -4.5883 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6393    1.3161   -3.3108 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2844    1.4957   -4.1280 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7483    3.1293   -4.5073 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7287    2.8262   -3.0601 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6458    3.9281    1.4816 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3340    2.3159    1.1309 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3535    1.1355    2.0396 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1740   -0.1302    2.1438 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0324    1.4871    1.4629 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9687    0.9390    0.0772 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9002   -0.5417   -0.8814 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9850   -0.6516    0.8808 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 40  1  0  0  0  0
  1 41  1  0  0  0  0
  2  3  1  0  0  0  0
  2  9  1  0  0  0  0
  2 42  1  1  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  3 43  1  6  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  4 44  1  1  0  0  0
  5  6  1  0  0  0  0
  5 45  1  0  0  0  0
  5 46  1  0  0  0  0
  6  1  1  0  0  0  0
  6 38  1  6  0  0  0
  7 47  1  0  0  0  0
  8 10  1  0  0  0  0
  8 48  1  0  0  0  0
  9 17  1  0  0  0  0
  9 49  1  0  0  0  0
  9 50  1  0  0  0  0
 10 11  1  0  0  0  0
 10 51  1  0  0  0  0
 10 52  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 53  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 54  1  0  0  0  0
 15 16  2  0  0  0  0
 15 55  1  0  0  0  0
 16 11  1  0  0  0  0
 16 39  1  0  0  0  0
 17 18  2  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 29  1  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 27  1  0  0  0  0
 22 17  1  0  0  0  0
 22 57  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
 24 58  1  0  0  0  0
 24 59  1  0  0  0  0
 24 60  1  0  0  0  0
 25 61  1  0  0  0  0
 25 62  1  0  0  0  0
 25 63  1  0  0  0  0
 26 64  1  0  0  0  0
 26 65  1  0  0  0  0
 26 66  1  0  0  0  0
 28 67  1  0  0  0  0
 28 68  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 35  1  0  0  0  0
 30 69  1  1  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 70  1  0  0  0  0
 35 71  1  0  0  0  0
 36 37  1  0  0  0  0
 37 72  1  0  0  0  0
 37 73  1  0  0  0  0
 37 74  1  0  0  0  0
M  CHG  2   6   1  38  -1
M  END
$$$$
External Set (85)
 OpenBabel02101614303D

 75 77  0  0  0  0  0  0  0  0999 V2000
    1.6839    5.4841    1.0212 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9928    4.5363   -0.1814 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4285    4.7703   -0.7869 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.6298    4.6414    0.2132 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5216    5.6565    1.3848 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9676    5.4425    2.3097 S   0  3  2  0  0  0  0  0  0  0  0  0
    3.6351    3.8239   -1.8389 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9182    4.8362   -0.5224 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8713    4.6851   -1.2742 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1668    4.4142    0.1660 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3531    4.5412   -0.7238 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8954    3.4177   -1.3933 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0590    3.4982   -2.2084 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6479    4.7838   -2.3549 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1204    5.9132   -1.7070 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9846    5.7928   -0.8925 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4931    4.3397   -0.7703 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9127    2.9921   -0.7327 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1141    2.6160   -0.1003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9565    3.6109    0.4500 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5896    4.9698    0.3462 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3700    5.3275   -0.2642 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5872    2.2074   -2.9036 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9651    2.4894   -3.6741 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9594    1.1725   -1.7768 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4930    1.4585   -3.8574 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3557    5.9134    0.8294 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1012    3.2605    1.0780 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4338    1.2826   -0.0360 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9884    0.5945    1.1615 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.6847   -0.7952    1.1767 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3450   -1.5478    0.0779 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3644   -1.5090    2.3073 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0500   -0.6370    1.1725 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4365    0.4903    1.2669 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1333   -0.0702    0.0665 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5717   -0.0642    0.0475 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9938    3.8290    2.8708 O   0  5  0  0  0  0  0  0  0  0  0  0
   11.8430    1.7131   -0.7943 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5972    6.5158    0.6739 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7507    5.2037    1.5134 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9611    3.5072    0.1942 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4570    5.7662   -1.2361 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6124    3.6246    0.6192 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5537    6.6770    0.9953 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3380    5.5250    2.0938 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4860    4.0757   -2.2540 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0036    5.8301   -0.7453 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0999    4.0374   -2.1264 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8756    5.7105   -1.6573 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0606    3.3800    0.5012 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3376    5.0237    1.0558 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4275    2.5158   -1.2755 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4751    4.9303   -2.9340 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5677    6.8262   -1.8245 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6290    6.6250   -0.4152 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3228    2.2674   -1.1455 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1089    6.3160   -0.3102 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3508    1.5660   -4.1109 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7913    3.1871   -4.4959 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7347    2.8986   -3.0144 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4389    0.2907   -2.2090 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0689    0.8204   -1.2526 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9319    0.5783   -4.3279 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1778    2.1444   -4.6442 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6076    1.1502   -3.3006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6581    3.9370    1.4970 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3674    2.3287    1.1212 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3420    1.1341    2.0492 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1684   -0.1252    2.1285 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0348    1.4917    1.4461 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9572    0.9576    0.0738 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9082   -0.5314   -0.8787 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9776   -0.6306    0.8892 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9652    0.9935   -0.1393 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 40  1  0  0  0  0
  1 41  1  0  0  0  0
  2  3  1  0  0  0  0
  2  9  1  0  0  0  0
  2 42  1  1  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  3 43  1  6  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  4 44  1  1  0  0  0
  5  6  1  0  0  0  0
  5 45  1  0  0  0  0
  5 46  1  0  0  0  0
  6  1  1  0  0  0  0
  6 38  1  6  0  0  0
  7 47  1  0  0  0  0
  8 10  1  0  0  0  0
  8 48  1  0  0  0  0
  9 17  1  0  0  0  0
  9 49  1  0  0  0  0
  9 50  1  0  0  0  0
 10 11  1  0  0  0  0
 10 51  1  0  0  0  0
 10 52  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 53  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 54  1  0  0  0  0
 15 16  2  0  0  0  0
 15 55  1  0  0  0  0
 16 11  1  0  0  0  0
 16 56  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 57  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
 20 28  1  0  0  0  0
 21 22  2  0  0  0  0
 21 27  1  0  0  0  0
 22 17  1  0  0  0  0
 22 58  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
 24 59  1  0  0  0  0
 24 60  1  0  0  0  0
 24 61  1  0  0  0  0
 25 39  1  0  0  0  0
 25 62  1  0  0  0  0
 25 63  1  0  0  0  0
 26 64  1  0  0  0  0
 26 65  1  0  0  0  0
 26 66  1  0  0  0  0
 28 67  1  0  0  0  0
 28 68  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 35  1  0  0  0  0
 30 69  1  1  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 70  1  0  0  0  0
 35 71  1  0  0  0  0
 36 37  1  0  0  0  0
 37 72  1  0  0  0  0
 37 73  1  0  0  0  0
 37 74  1  0  0  0  0
 39 75  1  0  0  0  0
M  CHG  2   6   1  38  -1
M  END
$$$$
External Set (86)
 OpenBabel02101614303D

 72 74  0  0  0  0  0  0  0  0999 V2000
    1.6777    5.5521    1.0452 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9914    4.5435   -0.1821 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4482    4.8026   -0.8627 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.6285    4.6505    0.1581 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5266    5.6387    1.3545 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9875    5.4256    2.2996 S   0  3  2  0  0  0  0  0  0  0  0  0
    3.7443    3.8824   -1.9564 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9260    4.8517   -0.5533 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8727    4.6849   -1.2645 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1554    4.4178    0.1560 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3415    4.5047   -0.7339 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8783    3.3546   -1.3577 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0296    3.4116   -2.1875 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6295    4.6814   -2.3812 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1146    5.8340   -1.7657 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9750    5.7476   -0.9495 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4826    4.3353   -0.7550 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8906    2.9858   -0.7094 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0976    2.6072   -0.0888 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9468    3.6014    0.4471 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5812    4.9623    0.3484 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3614    5.3238   -0.2558 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5787    2.1637   -2.8339 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9993    1.1001   -1.7754 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5638    1.5740   -3.8560 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7684    2.4388   -3.5855 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3562    5.9022    0.8260 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0968    3.2463    1.0587 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4184    1.2723   -0.0308 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9961    0.5804    1.1743 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.6960   -0.8107    1.1838 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3532   -1.5657    0.0871 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3802   -1.5222    2.3171 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0637   -0.6664    1.1720 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4429    0.4742    1.3005 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1204   -0.0850    0.0948 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5583   -0.0847    0.0507 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9793    3.7921    2.8039 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.6315    6.6404    0.7800 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7418    5.3480    1.6245 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9711    3.5217    0.2035 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5738    5.8185   -1.3259 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6059    3.6264    0.5424 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5686    6.6688    0.9943 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3373    5.4832    2.0636 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6178    4.1516   -2.3080 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0118    5.8466   -0.7750 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0976    4.0336   -2.1130 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8764    5.7077   -1.6519 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3321    5.0498    1.0275 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0230    3.3952    0.5192 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4203    2.4548   -1.1992 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4525    4.7862   -2.9768 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5726    6.7368   -1.9080 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6173    6.5952   -0.5027 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2895    2.2630   -1.1106 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1016    6.3130   -0.3098 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4666    0.2417   -2.2649 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7211    1.5246   -1.0727 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1392    0.7350   -1.2112 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9956    0.7101   -4.3673 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3059    2.3216   -4.6107 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6467    1.2497   -3.3610 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0450    1.5774   -3.9648 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6703    3.9244    1.4476 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3502    2.3117    1.1164 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3674    1.1193    2.0546 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1781   -0.1455    2.1621 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0392    1.4749    1.4854 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9516    0.9334    0.0746 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8796   -0.5488   -0.8821 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9771   -0.6580    0.8796 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 39  1  0  0  0  0
  1 40  1  0  0  0  0
  2  3  1  0  0  0  0
  2  9  1  0  0  0  0
  2 41  1  1  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  3 42  1  6  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  4 43  1  1  0  0  0
  5  6  1  0  0  0  0
  5 44  1  0  0  0  0
  5 45  1  0  0  0  0
  6  1  1  0  0  0  0
  6 38  1  6  0  0  0
  7 46  1  0  0  0  0
  8 10  1  0  0  0  0
  8 47  1  0  0  0  0
  9 17  1  0  0  0  0
  9 48  1  0  0  0  0
  9 49  1  0  0  0  0
 10 11  1  0  0  0  0
 10 50  1  0  0  0  0
 10 51  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 52  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 53  1  0  0  0  0
 15 16  2  0  0  0  0
 15 54  1  0  0  0  0
 16 11  1  0  0  0  0
 16 55  1  0  0  0  0
 17 18  2  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 29  1  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 27  1  0  0  0  0
 22 17  1  0  0  0  0
 22 57  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
 24 58  1  0  0  0  0
 24 59  1  0  0  0  0
 24 60  1  0  0  0  0
 25 61  1  0  0  0  0
 25 62  1  0  0  0  0
 25 63  1  0  0  0  0
 26 64  1  0  0  0  0
 28 65  1  0  0  0  0
 28 66  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 35  1  0  0  0  0
 30 67  1  1  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 68  1  0  0  0  0
 35 69  1  0  0  0  0
 36 37  1  0  0  0  0
 37 70  1  0  0  0  0
 37 71  1  0  0  0  0
 37 72  1  0  0  0  0
M  CHG  2   6   1  38  -1
M  END
$$$$
External Set (87)
 OpenBabel02101614303D

 72 74  0  0  0  0  0  0  0  0999 V2000
    1.6471    5.6307    1.0312 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9634    4.6464   -0.2146 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4153    4.9377   -0.8900 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5963    4.7408    0.1219 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5089    5.6646    1.3687 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9521    5.4434    2.2863 S   0  3  2  0  0  0  0  0  0  0  0  0
    3.7100    4.0424   -2.0055 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8998    4.9687   -0.5724 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8322    4.7921   -1.2800 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1181    4.4641    0.1070 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2948    4.5230   -0.7953 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8289    3.3399   -1.3549 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0184    3.3642   -2.1099 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6557    4.5942   -2.3629 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1037    5.7887   -1.8661 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9324    5.7545   -1.0837 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5031    4.3721   -0.7626 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8408    3.0035   -0.6626 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0475    2.5877   -0.0596 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9586    3.5571    0.4213 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6552    4.9292    0.2825 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4401    5.3293   -0.3087 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5207    2.1933   -2.6129 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4856    5.8457    0.7100 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1163    3.1773    1.0077 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3397    1.2470    0.0001 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9830    0.5548    1.2259 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.7283   -0.8109    1.1973 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3640   -1.5747    0.1131 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4980   -1.5465    2.3353 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0840   -0.6009    1.1190 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4439    0.3910    1.3799 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0997   -0.1500    0.1603 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5327   -0.1534    0.1016 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9226    3.7910    2.7219 O   0  5  0  0  0  0  0  0  0  0  0  0
   11.5440    1.5469   -1.8174 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0231    0.9852   -0.4649 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1135    0.4057   -2.6935 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6236    6.7277    0.7943 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6963    5.4337    1.5886 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9661    3.6134    0.1426 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5390    5.9690   -1.3192 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5590    3.6996    0.4562 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5936    6.7119    1.0694 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3097    5.4366    2.0721 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5900    4.3079   -2.3431 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0137    5.9771   -0.7059 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0675    4.1926   -2.1618 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8034    5.8335   -1.6138 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3334    5.0626    0.9950 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9477    3.4368    0.4448 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3608    2.4438   -1.2007 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5221    4.6221   -2.9059 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5610    6.6824   -2.0659 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5579    6.6312   -0.7108 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1985    2.2975   -1.0306 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2299    6.3277   -0.3849 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7421    3.8475    1.3253 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3242    2.2364    1.1218 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3522    1.1037    2.1017 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2140   -0.2695    2.2216 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0108    1.3722    1.5990 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9254    0.8649    0.1553 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8342   -0.5870   -0.8527 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9542   -0.7576    0.9077 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3661    2.2424   -1.6134 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7680    1.8008    0.2132 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1352    0.3720   -0.6261 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7873    0.3744    0.0216 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3272   -0.3102   -2.9443 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5208    0.8154   -3.6205 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9150   -0.1189   -2.1672 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 39  1  0  0  0  0
  1 40  1  0  0  0  0
  2  3  1  0  0  0  0
  2  9  1  0  0  0  0
  2 41  1  1  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  3 42  1  6  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  4 43  1  1  0  0  0
  5  6  1  0  0  0  0
  5 44  1  0  0  0  0
  5 45  1  0  0  0  0
  6  1  1  0  0  0  0
  6 35  1  6  0  0  0
  7 46  1  0  0  0  0
  8 10  1  0  0  0  0
  8 47  1  0  0  0  0
  9 17  1  0  0  0  0
  9 48  1  0  0  0  0
  9 49  1  0  0  0  0
 10 11  1  0  0  0  0
 10 50  1  0  0  0  0
 10 51  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 52  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 53  1  0  0  0  0
 15 16  2  0  0  0  0
 15 54  1  0  0  0  0
 16 11  1  0  0  0  0
 16 55  1  0  0  0  0
 17 18  2  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 26  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 24  1  0  0  0  0
 22 17  1  0  0  0  0
 22 57  1  0  0  0  0
 23 36  1  0  0  0  0
 25 58  1  0  0  0  0
 25 59  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 32  1  0  0  0  0
 27 60  1  1  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
 32 61  1  0  0  0  0
 32 62  1  0  0  0  0
 33 34  1  0  0  0  0
 34 63  1  0  0  0  0
 34 64  1  0  0  0  0
 34 65  1  0  0  0  0
 36 37  1  0  0  0  0
 36 38  1  0  0  0  0
 36 66  1  0  0  0  0
 37 67  1  0  0  0  0
 37 68  1  0  0  0  0
 37 69  1  0  0  0  0
 38 70  1  0  0  0  0
 38 71  1  0  0  0  0
 38 72  1  0  0  0  0
M  CHG  2   6   1  35  -1
M  END
$$$$
External Set (88)
 OpenBabel02101614303D

 66 68  0  0  0  0  0  0  0  0999 V2000
    1.7181    5.5039    1.0199 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0110    4.5535   -0.1856 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4336    4.7777   -0.8212 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.6427    4.6351    0.1603 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5645    5.6348    1.3465 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0214    5.4318    2.2905 S   0  3  2  0  0  0  0  0  0  0  0  0
    3.6210    3.8196   -1.8671 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9202    4.8310   -0.5898 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8796    4.6963   -1.2664 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1556    4.3591    0.0856 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3446    4.4790   -0.7949 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9324    3.3314   -1.3785 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0954    3.4273   -2.1702 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6714    4.6914   -2.4014 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1045    5.8413   -1.8233 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9417    5.7394   -1.0364 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4803    4.3495   -0.7583 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8899    3.0006   -0.7130 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0973    2.6204   -0.0941 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9444    3.6120    0.4500 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5796    4.9738    0.3485 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3596    5.3369   -0.2555 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6432    2.3053   -2.7376 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3544    5.9138    0.8236 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0900    3.2530    1.0695 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4179    1.2850   -0.0450 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9948    0.5905    1.1579 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.6931   -0.7998    1.1751 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3529   -1.5620    0.0829 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3763   -1.5074    2.3105 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0587   -0.6452    1.1689 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4431    0.4835    1.2846 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1325   -0.0758    0.0857 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5713   -0.0741    0.0500 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0358    3.8156    2.8457 O   0  5  0  0  0  0  0  0  0  0  0  0
   11.5522    1.5691   -1.8919 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9470    1.0659   -0.7627 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.6541    2.3096   -1.5306 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.9997    0.4976   -2.6214 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.7232    6.5720    0.6349 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7854    5.1406    1.5529 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9842    3.5254    0.1907 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4656    5.7722   -1.2741 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6193    3.6132    0.5553 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6164    6.6623    0.9759 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3825    5.4738    2.0473 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4742    4.0539   -2.2876 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0235    5.8302   -0.7825 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1039    4.0429   -2.1150 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8839    5.7176   -1.6585 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3459    4.9376    0.9916 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0136    3.3181    0.3894 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5188    2.4095   -1.2233 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5047    4.7764   -2.9885 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5417    6.7529   -1.9725 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5416    6.5893   -0.6289 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2914    2.2773   -1.1147 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0997    6.3260   -0.3039 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6619    3.9238    1.4753 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3403    2.3173    1.1215 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3625    1.1295    2.0395 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1846   -0.1338    2.1473 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0399    1.4825    1.4710 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9651    0.9438    0.0755 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8917   -0.5373   -0.8837 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9901   -0.6469    0.8798 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 40  1  0  0  0  0
  1 41  1  0  0  0  0
  2  3  1  0  0  0  0
  2  9  1  0  0  0  0
  2 42  1  1  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  3 43  1  6  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  4 44  1  1  0  0  0
  5  6  1  0  0  0  0
  5 45  1  0  0  0  0
  5 46  1  0  0  0  0
  6  1  1  0  0  0  0
  6 35  1  6  0  0  0
  7 47  1  0  0  0  0
  8 10  1  0  0  0  0
  8 48  1  0  0  0  0
  9 17  1  0  0  0  0
  9 49  1  0  0  0  0
  9 50  1  0  0  0  0
 10 11  1  0  0  0  0
 10 51  1  0  0  0  0
 10 52  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 53  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 54  1  0  0  0  0
 15 16  2  0  0  0  0
 15 55  1  0  0  0  0
 16 11  1  0  0  0  0
 16 56  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 57  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 25  1  0  0  0  0
 21 22  2  0  0  0  0
 21 24  1  0  0  0  0
 22 17  1  0  0  0  0
 22 58  1  0  0  0  0
 23 36  1  0  0  0  0
 25 59  1  0  0  0  0
 25 60  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 32  1  0  0  0  0
 27 61  1  1  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
 32 62  1  0  0  0  0
 32 63  1  0  0  0  0
 33 34  1  0  0  0  0
 34 64  1  0  0  0  0
 34 65  1  0  0  0  0
 34 66  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  CHG  2   6   1  35  -1
M  END
$$$$
External Set (89)
 OpenBabel02101614303D

 74 76  0  0  0  0  0  0  0  0999 V2000
    1.7182    5.5438    1.0435 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0271    4.5912   -0.1537 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4650    4.8241   -0.7373 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.6357    4.6585    0.2868 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5543    5.6470    1.4825 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9714    5.4656    2.3640 S   0  3  2  0  0  0  0  0  0  0  0  0
    3.6760    3.8847   -1.7969 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9237    4.8408   -0.4356 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9211    4.7590   -1.3041 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1317    4.3059    0.2311 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2915    4.4433   -0.6616 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4306    4.3657   -0.7972 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8114    3.0055   -0.7214 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0183    2.6097   -0.1078 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8900    3.5975    0.4039 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5573    4.9635    0.2753 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3417    5.3403   -0.3261 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3548    5.8971    0.7252 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0360    3.2370    1.0175 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3299    1.2712   -0.0470 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9697    0.5816    1.1801 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.7073   -0.7907    1.1730 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3512   -1.5581    0.0894 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4542   -1.5174    2.3127 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0670   -0.5979    1.1161 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4263    0.4398    1.3401 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1312   -0.1147    0.1327 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5658   -0.1210    0.0773 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9420    3.8471    2.9117 O   0  5  0  0  0  0  0  0  0  0  0  0
    8.9525    3.4345   -1.3443 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9742    5.6047   -0.9990 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9821    5.2803   -1.8253 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9609    3.9966   -2.0398 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8797    3.3034   -2.8952 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4613    3.2698   -4.4099 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0768    2.5647   -4.5903 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5404    2.4653   -5.2067 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3810    4.7189   -4.9908 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6567    6.5774    0.6964 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7699    5.2769    1.5078 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9864    3.5613    0.2178 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5133    5.8260   -1.1720 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5909    3.6351    0.6719 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6467    6.6769    1.1292 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3515    5.4579    2.2026 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5517    4.1012   -2.1811 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0613    5.8413   -0.5935 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1806    3.9835   -2.0944 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8225    5.8476   -1.7161 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3463    4.8437    1.1564 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9802    3.2494    0.4689 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1936    2.2873   -1.1033 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1118    6.3365   -0.3949 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6337    3.9154    1.3721 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2598    2.2979    1.1180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3477    1.1392    2.0452 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1904   -0.2002    2.1956 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0062    1.4308    1.5418 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9680    0.8935    0.1179 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8557   -0.5651   -0.8743 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9947   -0.7186    0.8845 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7052    2.4419   -1.3272 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7580    6.5498   -0.6713 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9992    2.2784   -2.5277 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8611    3.7792   -2.7954 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2843    3.1199   -4.0855 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8094    2.4969   -5.6466 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0990    1.5529   -4.1795 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5207    2.9390   -5.1189 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2838    2.4119   -6.2668 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6226    1.4441   -4.8273 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3329    5.2395   -4.8661 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6065    5.3011   -4.4887 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1400    4.6989   -6.0552 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 39  1  0  0  0  0
  1 40  1  0  0  0  0
  2  3  1  0  0  0  0
  2  9  1  0  0  0  0
  2 41  1  1  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  3 42  1  6  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  4 43  1  1  0  0  0
  5  6  1  0  0  0  0
  5 44  1  0  0  0  0
  5 45  1  0  0  0  0
  6  1  1  0  0  0  0
  6 29  1  6  0  0  0
  7 46  1  0  0  0  0
  8 10  1  0  0  0  0
  8 47  1  0  0  0  0
  9 12  1  0  0  0  0
  9 48  1  0  0  0  0
  9 49  1  0  0  0  0
 10 11  1  0  0  0  0
 10 50  1  0  0  0  0
 10 51  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
 13 52  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 19  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 12  1  0  0  0  0
 17 53  1  0  0  0  0
 19 54  1  0  0  0  0
 19 55  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
 21 56  1  1  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 57  1  0  0  0  0
 26 58  1  0  0  0  0
 27 28  1  0  0  0  0
 28 59  1  0  0  0  0
 28 60  1  0  0  0  0
 28 61  1  0  0  0  0
 30 11  2  0  0  0  0
 30 33  1  0  0  0  0
 30 62  1  0  0  0  0
 31 32  2  0  0  0  0
 31 63  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 64  1  0  0  0  0
 34 65  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
 36 66  1  0  0  0  0
 36 67  1  0  0  0  0
 36 68  1  0  0  0  0
 37 69  1  0  0  0  0
 37 70  1  0  0  0  0
 37 71  1  0  0  0  0
 38 72  1  0  0  0  0
 38 73  1  0  0  0  0
 38 74  1  0  0  0  0
M  CHG  2   6   1  29  -1
M  END
$$$$
External Set (90)
 OpenBabel02101614303D

 73 75  0  0  0  0  0  0  0  0999 V2000
    1.7289    5.5212    1.0236 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9882    4.5704   -0.1843 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4047    4.7784   -0.8246 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.6115    4.6085    0.1571 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5838    5.5993    1.3546 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0321    5.4445    2.2940 S   0  3  2  0  0  0  0  0  0  0  0  0
    3.5580    3.8167   -1.8738 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8744    4.7944   -0.6078 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8397    4.7577   -1.2870 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0741    4.1481   -0.0320 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2568    4.3548   -0.8816 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4993    4.3737   -0.7579 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8828    3.0157   -0.7054 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0831    2.6179   -0.0851 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9490    3.5993    0.4486 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6085    4.9644    0.3457 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3942    5.3459   -0.2563 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3978    5.8938    0.8166 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0902    3.2320    1.0643 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3908    1.2804   -0.0355 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9885    0.5819    1.1720 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.7070   -0.8001    1.1772 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3586   -1.5575    0.0837 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4186   -1.5179    2.3141 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0720   -0.6322    1.1472 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4379    0.4638    1.3086 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1307   -0.0875    0.1044 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5683   -0.0966    0.0600 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0161    3.8330    2.8625 O   0  5  0  0  0  0  0  0  0  0  0  0
    8.9531    5.5417   -1.0754 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8950    3.3857   -1.5613 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9500    3.8850   -2.1483 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0442    5.2058   -1.8663 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1536    6.0826   -2.3014 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3647    6.1670   -1.2963 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9101    6.7644    0.0782 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4635    7.1050   -1.8990 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9974    4.7513   -1.0746 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6609    6.5559    0.6825 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7970    5.2603    1.5260 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9455    3.5428    0.1907 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4442    5.7720   -1.2815 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5713    3.5842    0.5442 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6690    6.6263    0.9947 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4065    5.4070    2.0460 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4131    4.0234   -2.3026 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0481    5.7992   -0.6803 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7550    5.7698   -1.7700 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0525    4.0807   -2.1197 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2947    4.5466    0.9589 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8861    3.0770    0.0698 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2734    2.3002   -1.1075 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1516    6.3381   -0.3126 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6748    3.9039    1.4465 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3264    2.2955    1.1356 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3594    1.1296    2.0448 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1797   -0.1662    2.1630 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0297    1.4596    1.5026 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9702    0.9193    0.0930 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8746   -0.5542   -0.8821 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9847   -0.6844    0.8815 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7330    6.4644   -0.6877 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5093    5.7016   -3.2641 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7453    7.0809   -2.4861 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2084    6.1001    0.5851 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7635    6.9153    0.7420 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4201    7.7300   -0.0611 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8238    6.7209   -2.8553 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3210    7.1853   -1.2270 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0712    8.1103   -2.0632 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3071    4.3113   -2.0247 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2855    4.0706   -0.6049 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8770    4.8102   -0.4307 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 39  1  0  0  0  0
  1 40  1  0  0  0  0
  2  3  1  0  0  0  0
  2  9  1  0  0  0  0
  2 41  1  1  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  3 42  1  6  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  4 43  1  1  0  0  0
  5  6  1  0  0  0  0
  5 44  1  0  0  0  0
  5 45  1  0  0  0  0
  6  1  1  0  0  0  0
  6 29  1  6  0  0  0
  7 46  1  0  0  0  0
  8 10  1  0  0  0  0
  8 47  1  0  0  0  0
  9 12  1  0  0  0  0
  9 48  1  0  0  0  0
  9 49  1  0  0  0  0
 10 11  1  0  0  0  0
 10 50  1  0  0  0  0
 10 51  1  0  0  0  0
 11 31  2  0  0  0  0
 11 30  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 52  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 19  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 12  1  0  0  0  0
 17 53  1  0  0  0  0
 19 54  1  0  0  0  0
 19 55  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
 21 56  1  1  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 57  1  0  0  0  0
 26 58  1  0  0  0  0
 27 28  1  0  0  0  0
 28 59  1  0  0  0  0
 28 60  1  0  0  0  0
 28 61  1  0  0  0  0
 30 33  2  0  0  0  0
 30 62  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 63  1  0  0  0  0
 34 64  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
 36 65  1  0  0  0  0
 36 66  1  0  0  0  0
 36 67  1  0  0  0  0
 37 68  1  0  0  0  0
 37 69  1  0  0  0  0
 37 70  1  0  0  0  0
 38 71  1  0  0  0  0
 38 72  1  0  0  0  0
 38 73  1  0  0  0  0
M  CHG  2   6   1  29  -1
M  END
$$$$
External Set (91)
 OpenBabel02101614303D

 73 75  0  0  0  0  0  0  0  0999 V2000
    1.7447    5.4752    1.0132 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0206    4.5194   -0.1911 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4479    4.7230   -0.8217 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.6519    4.5569    0.1670 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5993    5.6022    1.3145 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0581    5.4463    2.2737 S   0  3  2  0  0  0  0  0  0  0  0  0
    3.6121    3.7772   -1.8799 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9442    4.6868   -0.5767 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8770    4.6826   -1.3029 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1580    4.1190    0.0632 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3590    4.3343   -0.7789 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4783    4.3449   -0.7673 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9018    3.0007   -0.7265 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1043    2.6255   -0.0927 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9454    3.6190    0.4597 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5675    4.9767    0.3675 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3468    5.3310   -0.2414 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3260    5.9224    0.8617 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0969    3.2712    1.0791 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4278    1.2921   -0.0292 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9811    0.5932    1.1636 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.6778   -0.7975    1.1786 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3406   -1.5486    0.0780 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3597   -1.5181    2.3059 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0424   -0.6352    1.1738 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4292    0.4888    1.2763 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1397   -0.0726    0.0760 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5784   -0.0633    0.0468 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0608    3.8507    2.8815 O   0  5  0  0  0  0  0  0  0  0  0  0
    8.9485    5.6108   -0.9513 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9262    3.2630   -1.3911 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0279    3.3597   -2.1695 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6349    4.6104   -2.3606 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1232    5.7821   -1.7399 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8435    7.1136   -1.9286 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9103    7.4830   -3.4498 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3011    6.9941   -1.3678 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1723    8.3277   -1.1950 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6531    6.5043    0.6656 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8178    5.2014    1.5192 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9693    3.4937    0.1890 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4963    5.7200   -1.2675 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5822    3.5535    0.6006 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6472    6.6103    0.8976 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4323    5.4730    2.0059 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4479    4.0272   -2.3265 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1147    5.6831   -0.7343 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0029    4.1074   -2.2608 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8879    5.7292   -1.6210 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3320    4.5752    1.0396 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0043    3.0485    0.2176 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3151    2.2776   -1.1429 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0816    6.3180   -0.2744 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6531    3.9502    1.4966 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3719    2.3403    1.1109 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3359    1.1305    2.0498 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1629   -0.1295    2.1377 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0276    1.4907    1.4565 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9669    0.9577    0.0652 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9037   -0.5338   -0.8810 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9942   -0.6269    0.8856 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5092    6.4031   -0.4816 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4155    2.5235   -2.6100 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4616    4.6475   -2.9564 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3975    8.4500   -3.5997 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9053    7.5384   -3.8742 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4797    6.7470   -4.0202 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8367    7.9428   -1.4518 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2811    6.7056   -0.3141 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8820    6.2474   -1.9125 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7363    9.2536   -1.3503 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1603    8.4923   -1.5702 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1263    8.1503   -0.1188 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 39  1  0  0  0  0
  1 40  1  0  0  0  0
  2  3  1  0  0  0  0
  2  9  1  0  0  0  0
  2 41  1  1  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  3 42  1  6  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  4 43  1  1  0  0  0
  5  6  1  0  0  0  0
  5 44  1  0  0  0  0
  5 45  1  0  0  0  0
  6  1  1  0  0  0  0
  6 29  1  6  0  0  0
  7 46  1  0  0  0  0
  8 10  1  0  0  0  0
  8 47  1  0  0  0  0
  9 12  1  0  0  0  0
  9 48  1  0  0  0  0
  9 49  1  0  0  0  0
 10 11  1  0  0  0  0
 10 50  1  0  0  0  0
 10 51  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
 13 52  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 19  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 12  1  0  0  0  0
 17 53  1  0  0  0  0
 19 54  1  0  0  0  0
 19 55  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
 21 56  1  1  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 57  1  0  0  0  0
 26 58  1  0  0  0  0
 27 28  1  0  0  0  0
 28 59  1  0  0  0  0
 28 60  1  0  0  0  0
 28 61  1  0  0  0  0
 30 11  2  0  0  0  0
 30 34  1  0  0  0  0
 30 62  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 32 63  1  0  0  0  0
 33 34  2  0  0  0  0
 33 64  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
 35 38  1  0  0  0  0
 36 65  1  0  0  0  0
 36 66  1  0  0  0  0
 36 67  1  0  0  0  0
 37 68  1  0  0  0  0
 37 69  1  0  0  0  0
 37 70  1  0  0  0  0
 38 71  1  0  0  0  0
 38 72  1  0  0  0  0
 38 73  1  0  0  0  0
M  CHG  2   6   1  29  -1
M  END
$$$$
