126
 OpenBabel09292113272D

 27 29  0  0  1  0  0  0  0  0999 V2000
    8.1902   -0.9523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3242   -0.4523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3242    0.5477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1902    1.0477    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4582   -0.9523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5921   -0.4523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7261   -0.9523    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8601   -0.4523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8601    0.5477    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9941    1.0477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9941    2.0477    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.8601    2.5477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1280    0.5477    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1280   -0.4523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9941   -0.9523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7861   -1.9305    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7916   -2.0350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3849   -1.1215    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4067   -0.9135    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.3364   -1.5827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2024   -1.0827    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.1160   -1.4894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9250   -0.9016    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9945   -0.1045    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.6637    0.6386    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.5000    0.8660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  5  2  3  0  0  0
  3  4  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8 15  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  2  0  0  0  0
 14 18  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 19 18  1  6  0  0  0
 19 20  1  0  0  0  0
 19 26  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  6  0  0  0
 21 24  1  0  0  0  0
 22 23  1  0  0  0  0
 24 25  1  1  0  0  0
 24 26  1  0  0  0  0
 26 27  1  1  0  0  0
M  END
>  <Source>
MODOMICS database http://genesilico.pl/modomics/

$$$$
