45
 OpenBabel09292113343D

 40 41  0  0  1  0  0  0  0  0999 V2000
    6.6003   -4.2828   -2.0716 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4197   -3.8942   -3.3583 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0407   -3.2794   -3.5931 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3267   -3.1093   -2.2869 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9480   -2.6027   -2.5178 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0434   -3.4969   -3.3184 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0975   -4.8359   -3.3431 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3960   -5.6196   -4.2509 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7077   -7.0622   -4.2953 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4851   -7.6463   -2.9974 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4544   -8.7135   -2.8119 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.2665   -8.3728   -1.5619 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3937   -8.2551   -0.4392 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3029   -8.7869   -4.0834 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.7755   -9.7283   -5.0343 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1640   -7.3896   -4.6684 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4163   -7.3568   -6.0674 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5325   -5.0269   -5.1761 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3774   -5.7820   -6.3623 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4188   -3.6587   -5.0889 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0949   -2.8329   -4.2412 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9428   -1.6157   -4.2531 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2585   -4.0570   -4.2280 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7605   -4.1047   -1.5891 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5103   -3.9770   -4.2472 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1636   -2.3115   -4.0867 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8033   -2.3426   -1.7939 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0380   -1.6145   -2.9854 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4840   -2.4383   -1.5380 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7719   -5.3559   -2.6699 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0362   -7.5786   -4.9847 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8812   -9.6323   -2.6461 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7875   -7.4165   -1.6665 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0003   -9.1538   -1.3433 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6324   -7.7177   -0.7344 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3439   -9.0711   -3.9036 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8088   -9.7992   -4.9269 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8720   -6.7150   -4.1756 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2529   -8.2627   -6.4019 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2108   -3.2045   -5.7386 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
  2  3  1  0  0  0  0
  2 23  2  0  0  0  0
  3  4  1  0  0  0  0
  3 25  1  0  0  0  0
  3 26  1  0  0  0  0
  4  5  1  0  0  0  0
  4 27  1  0  0  0  0
  5  6  1  0  0  0  0
  5 28  1  0  0  0  0
  5 29  1  0  0  0  0
  6  7  2  0  0  0  0
  6 21  1  0  0  0  0
  7  8  1  0  0  0  0
  7 30  1  0  0  0  0
  8  9  1  0  0  0  0
  8 18  1  0  0  0  0
  9 10  1  0  0  0  0
  9 16  1  0  0  0  0
  9 31  1  6  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 11 32  1  1  0  0  0
 12 13  1  0  0  0  0
 12 33  1  0  0  0  0
 12 34  1  0  0  0  0
 13 35  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 36  1  1  0  0  0
 15 37  1  0  0  0  0
 16 17  1  0  0  0  0
 16 38  1  1  0  0  0
 17 39  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 40  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Source>
MODOMICS database http://genesilico.pl/modomics/

$$$$
