114
 OpenBabel09292113353D

 42 44  0  0  1  0  0  0  0  0999 V2000
    1.0903    3.0094    5.2115 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7538    3.2757    3.9301 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3576    2.3252    2.8883 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7014    1.8040    3.1180 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9787    0.8427    4.0315 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1691    0.1999    3.9553 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1820    0.2967    2.9952 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0872    1.1482    1.9404 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0825    1.1358    1.0265 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1712    0.3445    0.9914 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2208   -0.4728    2.0536 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3028   -0.5458    3.0895 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6862   -1.4993    4.0091 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7996   -2.0136    3.5222 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1429   -1.4462    2.3188 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2180   -1.8943    1.4549 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.1492   -0.8118    1.2383 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5224   -0.7926   -0.1647 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.9855    0.4843   -0.8166 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5322    1.6303   -0.1691 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9583   -2.0658   -0.7913 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.8782   -3.1688   -0.6945 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7573   -2.3921    0.0823 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4711   -3.7911    0.0791 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1860    0.6067    4.9426 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0670    4.1395    3.6453 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5833    2.1593    5.2950 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4006    2.8756    1.9425 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6686    1.4786    2.7751 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3421    1.8178    2.3286 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3254   -0.4926    4.6802 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9892    1.8445    0.2079 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3788   -2.8054    3.9830 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7593   -2.6866    1.9884 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6178   -0.7765   -0.1950 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8992    0.5572   -0.7580 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2701    0.5281   -1.8722 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2696    1.5655    0.7692 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6970   -1.9625   -1.8485 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5208   -2.9933    0.0172 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8718   -1.8610   -0.2787 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2582   -4.2304   -0.3098 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 27  1  0  0  0  0
  2  3  1  0  0  0  0
  2 26  2  0  0  0  0
  3  4  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 30  1  0  0  0  0
  5  6  1  0  0  0  0
  5 25  2  0  0  0  0
  6  7  1  0  0  0  0
  6 31  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  2  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 32  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 15  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 33  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 23  1  0  0  0  0
 16 34  1  1  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 21  1  0  0  0  0
 18 35  1  6  0  0  0
 19 20  1  0  0  0  0
 19 36  1  0  0  0  0
 19 37  1  0  0  0  0
 20 38  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 39  1  6  0  0  0
 22 40  1  0  0  0  0
 23 24  1  0  0  0  0
 23 41  1  6  0  0  0
 24 42  1  0  0  0  0
M  END
>  <Source>
MODOMICS database http://genesilico.pl/modomics/

$$$$
