117
 OpenBabel09292113323D

 32 33  0  0  1  0  0  0  0  0999 V2000
    3.0356    1.1684    0.1367 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3468   -0.0641   -0.0431 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8368   -0.8217   -1.1480 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1257   -2.1839   -1.2721 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6881   -3.2676   -0.4279 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0059   -3.6482   -0.6497 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6164   -4.6147    0.0369 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8685   -5.3315    1.0728 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3873   -6.2206    1.7321 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5696   -4.9352    1.2312 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9187   -3.9389    0.5350 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3118   -3.6771    0.9260 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2410   -2.5851   -2.6509 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5015   -1.4104   -3.4555 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.8115   -1.6466   -4.2065 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6915   -2.7885   -5.0515 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5658   -0.2034   -2.5207 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3343    0.5238   -2.5698 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6524    1.6476    1.0419 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8611    1.8424   -0.7066 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1087    0.9953    0.2634 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9169   -0.9693   -1.0299 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0606   -2.0483   -1.0720 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5504   -3.1288   -1.4319 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6419   -4.9121   -0.1371 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0394   -5.4378    1.9283 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6749   -1.3314   -4.1706 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6391   -1.8395   -3.5176 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0660   -0.7855   -4.8317 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2584   -3.4843   -4.5196 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3486    0.5072   -2.8049 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6022   -0.0551   -2.2940 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 17  1  0  0  0  0
  3 22  1  1  0  0  0
  4  5  1  0  0  0  0
  4 13  1  0  0  0  0
  4 23  1  1  0  0  0
  5  6  1  0  0  0  0
  5 11  1  0  0  0  0
  6  7  2  0  0  0  0
  6 24  1  0  0  0  0
  7  8  1  0  0  0  0
  7 25  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 26  1  0  0  0  0
 11 12  2  0  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 27  1  6  0  0  0
 15 16  1  0  0  0  0
 15 28  1  0  0  0  0
 15 29  1  0  0  0  0
 16 30  1  0  0  0  0
 17 18  1  0  0  0  0
 17 31  1  6  0  0  0
 18 32  1  0  0  0  0
M  END
>  <Source>
MODOMICS database http://genesilico.pl/modomics/

$$$$
