/home/frits/ACO_1j/Syn030403/Syn030403.car
 OpenBabel02252016483D

 34 34  0  0  0  0  0  0  0  0999 V2000
    3.1329   -0.6693    0.8088 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7616    0.0418    1.1751 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4458   -2.0012    0.9792 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3938   -2.0686    1.5211 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6661   -2.4943    1.5685 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5613   -2.4843    0.0037 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9535   -0.2247    0.1370 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9948   -1.1114   -0.4177 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1273   -2.1871   -0.3483 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1366   -0.7033   -1.0548 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3365    0.6382   -1.1619 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2470    0.9461   -1.6683 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5453    1.6176   -0.6526 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7077    1.1630    0.0121 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4060    1.8850    0.4262 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2387    3.0863   -0.7792 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1718    3.6582   -0.8122 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2696    3.2760   -1.7302 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6292    3.5820    0.3795 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8356    4.6501    0.2686 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1296    3.4302    1.3414 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5867    3.0528    0.4127 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0988   -1.6749   -1.5909 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5226   -2.4878   -2.0464 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6634   -1.1914   -2.3963 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0436   -2.2332   -0.5139 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6481   -3.0351   -0.9477 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4669   -2.6788    0.3035 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9629   -1.1844    0.0208 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8262   -0.9278   -0.5828 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7613   -0.4812    1.2362 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5454    0.2245    2.4435 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1609    0.0301    3.3135 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7626    0.9697    2.5161 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  2  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  6  3  1  0  0  0  0
  7  1  1  0  0  0  0
  8  9  1  0  0  0  0
  8  7  2  0  0  0  0
 10  8  1  0  0  0  0
 11 10  1  0  0  0  0
 11 13  2  0  0  0  0
 12 11  1  0  0  0  0
 13 14  1  0  0  0  0
 14  7  1  0  0  0  0
 14 15  1  0  0  0  0
 16 13  1  0  0  0  0
 16 19  1  0  0  0  0
 17 16  1  0  0  0  0
 18 16  1  0  0  0  0
 19 22  1  0  0  0  0
 19 21  1  0  0  0  0
 20 19  1  0  0  0  0
 23 10  1  0  0  0  0
 23 26  1  0  0  0  0
 24 23  1  0  0  0  0
 25 23  1  0  0  0  0
 26 29  1  0  0  0  0
 26 28  1  0  0  0  0
 27 26  1  0  0  0  0
 29 31  2  0  0  0  0
 30 29  1  0  0  0  0
 31 32  2  0  0  0  0
 32 34  1  0  0  0  0
 32 33  1  0  0  0  0
M  END
>  <MD_stabilization_energy>
-7.948

$$$$
/home/frits/ACO_1e/Syn050674/Syn050674.car
 OpenBabel02252016483D

 36 37  0  0  0  0  0  0  0  0999 V2000
   -0.6008    0.8082    0.0826 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4706   -0.2644    0.1008 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1219   -0.6829    1.2913 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7721   -1.5520    1.3017 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9352    0.0483    2.4748 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4348   -0.2514    3.3898 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1065    1.1774    2.4573 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9534    1.7718    3.3516 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4729    1.5109    1.2508 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1693    2.3857    1.2366 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7168   -1.0526   -1.1535 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0092   -1.8281   -1.4193 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1539   -1.3604   -1.5159 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9556   -0.9477   -0.9154 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3426   -2.2648   -2.0802 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3959   -0.3316   -2.2948 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7288    0.6871   -2.1358 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1346   -0.6455   -3.2974 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1835    1.2951   -1.0724 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1145    0.5705   -1.8876 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3177    2.2063   -1.4192 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6461    1.5453   -0.7735 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1427    2.8031   -0.8360 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5136    3.6475   -1.0945 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1870    3.0135   -0.6333 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5338    0.4464   -0.4303 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5422    0.7266   -0.1419 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2223   -0.8714   -0.4425 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2406   -1.2071   -0.7482 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1950   -1.9422   -0.0671 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3146   -2.6286   -0.9103 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1815   -1.5182    0.1451 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7019   -2.7127    1.1549 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7317   -3.1796    0.9596 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5913   -2.0487    2.0176 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4121   -3.5009    1.4195 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  9  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  7  5  1  0  0  0  0
  7  8  1  0  0  0  0
  9  7  2  0  0  0  0
 10  9  1  0  0  0  0
 11  2  1  0  0  0  0
 12 11  1  0  0  0  0
 13 11  1  0  0  0  0
 13 14  1  0  0  0  0
 15 13  1  0  0  0  0
 16 17  1  0  0  0  0
 16 13  1  0  0  0  0
 16 11  1  0  0  0  0
 18 16  1  0  0  0  0
 19 22  1  0  0  0  0
 19  1  1  0  0  0  0
 20 19  1  0  0  0  0
 21 19  1  0  0  0  0
 22 26  1  0  0  0  0
 23 22  2  0  0  0  0
 23 25  1  0  0  0  0
 24 23  1  0  0  0  0
 26 27  1  0  0  0  0
 28 26  2  0  0  0  0
 28 30  1  0  0  0  0
 29 28  1  0  0  0  0
 30 32  1  0  0  0  0
 30 33  1  0  0  0  0
 31 30  1  0  0  0  0
 33 36  1  0  0  0  0
 33 35  1  0  0  0  0
 34 33  1  0  0  0  0
M  END
>  <MD_stabilization_energy>
-7.403

$$$$
/home/frits/ACO_1j/Syn007664/Syn007664.car
 OpenBabel02252016483D

 33 33  0  0  0  0  0  0  0  0999 V2000
    3.5458    0.3219    0.2650 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1333    1.1749    0.7926 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0279    0.3086    0.1112 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3552    1.1949   -0.4391 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3744   -0.5770   -0.4299 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5064    0.3172    1.0942 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8236   -1.1861   -0.3249 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7610   -0.0895    0.5081 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5098    0.1853    0.6201 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8020    1.0225    1.2403 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3390   -0.6336   -0.0787 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4146   -1.4551   -0.6352 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6144   -2.2910   -1.2931 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7473   -0.6615   -0.2207 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1928   -1.4948   -0.7547 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0656   -1.8544   -0.7230 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9080   -2.2578   -1.7286 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8618   -1.1094   -0.7908 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4385   -2.9775    0.2430 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3653   -3.4627   -0.0748 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6497   -3.7344    0.2821 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5794   -2.5944    1.2575 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9316    0.5681    1.0992 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6132    0.9935    2.0575 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6775   -0.1994    1.3212 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5189    1.6545    0.1862 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7561    1.2348   -0.7964 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4582    2.0156    0.6148 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5885    2.8169    0.0425 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3586    3.3935    0.9314 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0371    3.1877   -1.1285 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3739    4.0431   -1.1752 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2385    2.6490   -2.0473 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  1  1  0  0  0  0
  3  6  1  0  0  0  0
  4  3  1  0  0  0  0
  5  3  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 23  1  0  0  0  0
  9 10  1  0  0  0  0
 11  9  1  0  0  0  0
 12  7  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 11  1  0  0  0  0
 14  1  2  0  0  0  0
 15 14  1  0  0  0  0
 16  7  1  0  0  0  0
 16 19  1  0  0  0  0
 17 16  1  0  0  0  0
 18 16  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 19  1  0  0  0  0
 23 25  1  0  0  0  0
 23 24  1  0  0  0  0
 26 28  1  0  0  0  0
 26 23  1  0  0  0  0
 27 26  1  0  0  0  0
 29 26  1  0  0  0  0
 29 30  1  0  0  0  0
 31 29  2  0  0  0  0
 32 31  1  0  0  0  0
 33 31  1  0  0  0  0
M  END
>  <MD_stabilization_energy>
-6.562

$$$$
/home/frits/ACO_1e/Syn048138/Syn048138.car
 OpenBabel02252016483D

 30 31  0  0  0  0  0  0  0  0999 V2000
   -1.7499   -0.8538   -0.4967 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9891   -0.1109    0.3076 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0388   -0.9253    0.7939 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2134   -2.1746    0.2829 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4811   -2.9505    0.5769 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3266   -2.1242   -0.5544 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8655   -2.8247   -1.1790 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2139    1.2607    0.5344 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3356    1.7924   -0.1551 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5937    2.8400   -0.0381 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1330    0.9977   -0.9987 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9826    1.4317   -1.5152 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8228   -0.3615   -1.1696 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4028   -1.0205   -1.8096 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3862    2.1376    1.4286 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6983    3.1836    1.3519 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6683    2.0954    1.1437 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5017    1.8345    2.4732 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0823   -0.7396    1.7291 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2733   -1.6910    2.2379 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7536   -0.0440    2.5043 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3522   -0.2471    1.0969 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1730   -0.0850    1.7874 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5559    0.0063   -0.2181 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7650   -0.1415   -0.9443 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8181    0.4821   -0.7237 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6268    0.6376   -0.0180 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0309    0.7395   -2.0271 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9972    1.0965   -2.3629 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2545    0.6001   -2.7707 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  8  2  0  0  0  0
  2  3  1  0  0  0  0
  3 19  1  0  0  0  0
  4  5  1  0  0  0  0
  4  3  1  0  0  0  0
  6  1  1  0  0  0  0
  6  4  2  0  0  0  0
  7  6  1  0  0  0  0
  8 15  1  0  0  0  0
  9 10  1  0  0  0  0
  9  8  1  0  0  0  0
 11  9  1  0  0  0  0
 12 11  1  0  0  0  0
 13 11  2  0  0  0  0
 13  1  1  0  0  0  0
 14 13  1  0  0  0  0
 15 18  1  0  0  0  0
 16 15  1  0  0  0  0
 17 15  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 22 19  1  0  0  0  0
 22 23  1  0  0  0  0
 24 22  2  0  0  0  0
 25 24  1  0  0  0  0
 26 24  1  0  0  0  0
 26 27  1  0  0  0  0
 28 26  2  0  0  0  0
 29 28  1  0  0  0  0
 30 28  1  0  0  0  0
M  END
>  <MD_stabilization_energy>
-5.400

$$$$
