92
 OpenBabel09292113323D

 30 31  0  0  1  0  0  0  0  0999 V2000
    1.0652   -0.4105   -0.0664 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4296   -0.3535    0.0024 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9484    0.6639    0.6122 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3207    0.8023    0.7101 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9095    2.1673    1.5265 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.1419   -0.1728    0.1041 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6204   -0.1204    0.1841 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2207   -0.9355    1.3422 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3453   -0.2244    2.5734 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5927   -1.2973    0.7948 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.5120   -0.2253    1.0847 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3677   -1.4350   -0.7061 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.1509   -2.8815   -1.1651 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0911   -3.5185   -0.4587 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2117   -0.6321   -1.0360 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5586   -1.2618   -0.5243 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2387   -1.4139   -0.6116 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6401    0.4783    0.1817 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6676   -0.8206   -0.9018 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9469    0.9211    0.2490 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6288   -1.8350    1.5338 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2346    0.1898    2.5701 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0086   -2.1941    1.2636 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4084    0.4750    0.4136 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2095   -1.0187   -1.2709 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0638   -3.4719   -1.0304 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8883   -2.8961   -2.2280 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4713   -4.0151    0.2867 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2135   -2.0079   -0.9580 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7662   -2.2571   -1.0924 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  2  3  2  0  0  0  0
  2 17  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 16  1  0  0  0  0
  7  8  1  0  0  0  0
  7 15  1  0  0  0  0
  7 20  1  1  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 21  1  1  0  0  0
  9 22  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 23  1  1  0  0  0
 11 24  1  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 12 25  1  6  0  0  0
 13 14  1  0  0  0  0
 13 26  1  0  0  0  0
 13 27  1  0  0  0  0
 14 28  1  0  0  0  0
 16 17  2  0  0  0  0
 16 29  1  0  0  0  0
 17 30  1  0  0  0  0
M  END
>  <Source>
MODOMICS database http://genesilico.pl/modomics/

$$$$
