111
 OpenBabel09292113353D

 42 44  0  0  1  0  0  0  0  0999 V2000
    2.9975   -1.1266    0.2278 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6229    0.2665    0.0218 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2933    1.0739   -0.8884 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8220    2.3352   -0.9301 N   0  0  0  0  0  2  0  0  0  0  0  0
    3.3798    3.2813   -1.7134 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9946    4.4524   -1.7277 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4432    2.7778   -2.5177 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8128    1.4774   -2.4191 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8389    1.2786   -3.3197 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4761    0.0023   -3.5204 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.7797   -0.8693   -4.5751 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8172   -1.7919   -4.0676 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9510   -1.6068   -5.1951 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2023   -2.8013   -4.4315 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1126   -0.6268   -5.0833 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.3179    0.2347   -6.3317 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1507    0.9984   -6.6297 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8264    0.2364   -3.9620 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1063    2.4331   -3.9366 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2786    3.3745   -3.4602 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.2399    4.7729   -3.8238 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2758    0.5700   -1.5924 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6166    0.7740    0.9497 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7452   -1.4894   -0.4846 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1198   -1.7746    0.1267 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4110   -1.2583    1.2336 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5407   -0.5209   -2.5589 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2727   -0.2387   -5.3124 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2907   -2.6268   -3.8758 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7455   -1.9312   -6.2190 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7742   -2.5947   -3.6683 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0493   -1.1483   -4.8579 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5814   -0.3782   -7.2007 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1324    0.9458   -6.1567 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5791    0.4617   -7.2096 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8654    2.5924   -4.6908 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9901    4.9710   -4.5949 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4662    5.3851   -2.9459 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2517    5.0270   -4.2162 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2689   -0.0106    1.6315 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7395    1.1470    0.4106 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0339    1.5753    1.5689 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  2  3  1  0  0  0  0
  2 23  1  0  0  0  0
  3  4  1  0  0  0  0
  3 22  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 20  1  0  0  0  0
  8  9  1  0  0  0  0
  8 22  1  0  0  0  0
  9 10  1  0  0  0  0
  9 19  1  0  0  0  0
 10 11  1  0  0  0  0
 10 18  1  0  0  0  0
 10 27  1  1  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 28  1  6  0  0  0
 12 29  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 30  1  6  0  0  0
 14 31  1  0  0  0  0
 15 16  1  0  0  0  0
 15 18  1  0  0  0  0
 15 32  1  1  0  0  0
 16 17  1  0  0  0  0
 16 33  1  0  0  0  0
 16 34  1  0  0  0  0
 17 35  1  0  0  0  0
 19 20  2  0  0  0  0
 19 36  1  0  0  0  0
 20 21  1  0  0  0  0
 21 37  1  0  0  0  0
 21 38  1  0  0  0  0
 21 39  1  0  0  0  0
 23 40  1  0  0  0  0
 23 41  1  0  0  0  0
 23 42  1  0  0  0  0
M  CHG  1  20   1
M  END
>  <Source>
MODOMICS database http://genesilico.pl/modomics/

$$$$
