91
 OpenBabel09292113343D

 44 45  0  0  1  0  0  0  0  0999 V2000
    1.5360   -2.0727    1.3422 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4367   -1.1477    0.2654 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3445   -1.5272   -0.9132 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7349   -1.4931   -0.5083 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2693   -2.8414   -0.5530 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.1047   -3.1194    0.6371 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7571   -2.5146    1.8362 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4220   -2.6976    2.9828 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0964   -1.9750    4.2552 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1867   -1.1307    4.7599 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5647   -0.0706    3.8152 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7142    0.7437    4.3810 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1834    2.0202    3.2271 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.3827    2.6628    4.0949 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8169    1.4216    2.0736 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1281    2.9978    3.1179 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5704   -3.6227    2.9768 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2616   -3.8153    3.9687 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8424   -4.2147    1.7765 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1837   -4.0077    0.5850 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7839   -4.8185   -0.7517 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.0753   -3.7963   -0.7117 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.3745   -4.9878   -1.4369 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0964   -2.9221   -1.4767 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4429   -2.9714   -2.8793 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9801   -1.7261    2.0648 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7155   -0.1597    0.6453 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3905   -1.1226   -0.0560 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2249   -0.7649   -1.6918 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9045   -2.8775   -1.4438 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9182   -1.8279    1.8127 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8463   -2.7120    5.0272 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1955   -1.3568    4.1390 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9860   -1.7500    4.9370 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7024    0.5794    3.6253 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8736   -0.4949    2.8525 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5973    0.1176    4.5466 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4313    1.2332    5.3185 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2275    2.4869    3.6271 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6425   -4.8300    1.7608 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6689   -4.0859    0.2620 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3335   -4.7518   -2.3860 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0604   -3.2618   -1.3958 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1557   -2.3282   -3.0526 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 26  1  0  0  0  0
  2  3  1  0  0  0  0
  2 27  1  0  0  0  0
  2 28  1  0  0  0  0
  3  4  1  0  0  0  0
  3 24  1  0  0  0  0
  3 29  1  6  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 22  1  0  0  0  0
  5 30  1  6  0  0  0
  6  7  1  0  0  0  0
  6 20  1  0  0  0  0
  7  8  2  0  0  0  0
  7 31  1  0  0  0  0
  8  9  1  0  0  0  0
  8 17  1  0  0  0  0
  9 10  1  0  0  0  0
  9 32  1  0  0  0  0
  9 33  1  0  0  0  0
 10 11  1  0  0  0  0
 10 34  1  0  0  0  0
 11 12  1  0  0  0  0
 11 35  1  0  0  0  0
 11 36  1  0  0  0  0
 12 13  1  0  0  0  0
 12 37  1  0  0  0  0
 12 38  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 13 16  2  0  0  0  0
 14 39  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 40  1  0  0  0  0
 20 21  2  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 41  1  1  0  0  0
 23 42  1  0  0  0  0
 24 25  1  0  0  0  0
 24 43  1  1  0  0  0
 25 44  1  0  0  0  0
M  END
>  <Source>
MODOMICS database http://genesilico.pl/modomics/

$$$$
