40
 OpenBabel09292113353D

 42 44  0  0  1  0  0  0  0  0999 V2000
    1.3521    0.1361    0.8142 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5057    0.1511   -0.0746 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7975   -1.1039   -0.7594 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2253    1.2956   -0.3858 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8089    2.4813    0.2123 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3753    3.7311    0.0240 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9313    4.7327    0.5771 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5048    3.6851   -0.8682 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3313    4.6891   -1.2945 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1797    4.0876   -2.1018 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9280    2.7386   -2.2112 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6837    1.8406   -3.0585 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.8140    1.3038   -4.0753 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1542   -0.0892   -4.2744 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9919   -0.9557   -3.7926 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8018   -0.6400   -4.5067 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4260   -0.3633   -3.4787 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5716   -0.1869   -4.3225 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3639    0.6662   -2.3504 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.6510    1.0357   -1.8464 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3052   -0.0366   -1.1726 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8485    2.4654   -1.4120 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2561    1.2616   -1.2056 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9051   -0.8580    0.9114 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5735    0.8080    0.4407 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6482    0.4559    1.8186 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1666   -1.9284   -0.4115 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8364   -1.4018   -0.5841 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6254   -0.9970   -1.8345 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0195    2.4925    0.8286 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9838    4.5772   -2.6362 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4377    2.4517   -3.5736 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2991   -0.2275   -5.3513 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7956   -0.7949   -2.7327 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2092   -2.0172   -3.9418 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6879    0.3269   -4.4164 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4780   -1.3889   -3.1008 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7796    0.7611   -4.3917 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7413    0.2935   -1.5285 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2407    0.3407   -0.7514 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5488   -0.8440   -1.8691 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6827   -0.4197   -0.3584 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  4  1  0  0  0  0
  3 27  1  0  0  0  0
  3 28  1  0  0  0  0
  3 29  1  0  0  0  0
  4  5  1  0  0  0  0
  4 23  2  0  0  0  0
  5  6  1  0  0  0  0
  5 30  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 22  2  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 31  1  0  0  0  0
 11 12  1  0  0  0  0
 11 22  1  0  0  0  0
 12 13  1  0  0  0  0
 12 19  1  0  0  0  0
 12 32  1  6  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 17  1  0  0  0  0
 14 33  1  6  0  0  0
 15 16  1  0  0  0  0
 15 34  1  0  0  0  0
 15 35  1  0  0  0  0
 16 36  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 37  1  1  0  0  0
 18 38  1  0  0  0  0
 19 20  1  0  0  0  0
 19 39  1  1  0  0  0
 20 21  1  0  0  0  0
 21 40  1  0  0  0  0
 21 41  1  0  0  0  0
 21 42  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Source>
MODOMICS database http://genesilico.pl/modomics/

$$$$
