126
 OpenBabel09292113323D

 50 52  0  0  1  0  0  0  0  0999 V2000
    1.0203   -2.0587   -0.5502 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1345   -2.8919    0.0199 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7527   -4.1973    0.6591 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3616   -5.2794   -0.0324 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4038   -2.4405   -0.0574 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6403   -3.1618    0.3902 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3930   -2.2569    1.2471 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7529   -2.5857    1.4006 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5904   -1.6086    1.8430 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9251   -1.8388    1.8855 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9459   -0.4655    2.3866 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.4910   -0.9189    1.5549 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5585   -2.9881    1.5737 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7021   -3.9454    1.2118 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3261   -3.8429    1.0997 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7810   -5.0428    0.7051 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8056   -5.8535    0.5551 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9888   -5.2268    0.8423 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3157   -5.8000    0.7471 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.3171   -6.7932   -0.3080 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0253   -7.9693    0.1561 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.0298   -9.1232    0.3069 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4364   -9.4332   -0.9505 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6861   -7.5850    1.4748 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.9874   -7.0036    1.2708 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7714   -6.5010    2.0245 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.4726   -5.6498    2.9273 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0535   -2.5682   -0.4878 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2029   -1.8453   -1.6100 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9322   -1.1116   -0.0089 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6712   -4.3659    0.6508 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0768   -4.2225    1.7051 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0604   -5.2326   -0.9545 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5941   -1.4802   -0.5343 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2019   -3.3915   -0.5249 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4145   -4.0913    0.9202 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889   -2.1719    2.1730 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2494   -0.1586    1.7610 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3436   -0.9718    0.4720 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8715   -1.8785    1.9174 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7419   -6.8826    0.2339 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0018   -4.9999    0.4475 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7589   -8.2152   -0.6195 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2203   -8.8784    1.0007 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5398  -10.0227    0.6648 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0228   -8.6169   -1.2877 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8156   -8.4206    2.1684 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0570   -6.6736    0.3567 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9225   -6.9461    2.5575 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4257   -5.7469    2.7175 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  1 30  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
  3 31  1  0  0  0  0
  3 32  1  0  0  0  0
  4 33  1  0  0  0  0
  5  6  1  0  0  0  0
  5 34  1  0  0  0  0
  6  7  1  0  0  0  0
  6 35  1  0  0  0  0
  6 36  1  0  0  0  0
  7  8  1  0  0  0  0
  7 37  1  0  0  0  0
  8  9  1  0  0  0  0
  8 15  2  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
 12 38  1  0  0  0  0
 12 39  1  0  0  0  0
 12 40  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 18  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
 17 41  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 26  1  0  0  0  0
 19 42  1  6  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 24  1  0  0  0  0
 21 43  1  6  0  0  0
 22 23  1  0  0  0  0
 22 44  1  0  0  0  0
 22 45  1  0  0  0  0
 23 46  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 24 47  1  1  0  0  0
 25 48  1  0  0  0  0
 26 27  1  0  0  0  0
 26 49  1  1  0  0  0
 27 50  1  0  0  0  0
M  END
>  <Source>
MODOMICS database http://genesilico.pl/modomics/

$$$$
