374
 OpenBabel09292113323D

 54 57  0  0  1  0  0  0  0  0999 V2000
    1.0229    0.3999   -0.1881 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8011    0.1899    0.0199 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.3509    1.8870    0.0928 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6868    1.9968    0.2605 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2541    3.2396    0.3163 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7271    3.3025    0.4971 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.1985    4.0455    1.7159 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8083    3.9271    2.8623 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2630    4.8441    1.3285 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6865    4.7028   -0.0554 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.8987    3.7569   -0.1687 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.3852    3.5585   -1.5991 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9955    4.2389    0.6172 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4683    3.9902   -0.6158 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2555    3.8395   -1.8145 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4321    4.3483    0.1771 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7127    5.6872    0.1487 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5367    6.2768    0.0393 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5154    5.3636   -0.0175 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0970    5.6508   -0.0789 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8612    6.9288   -0.7097 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1524    7.6509    0.0559 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.4238    8.8195    0.8684 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9482    9.7992   -0.0185 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5947   11.2432    0.6814 P   0  0  0  0  0  0  0  0  0  0  0  0
    0.1528   11.5131    1.1701 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5631   10.3094    1.4429 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.2412   12.6872    1.3813 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.7737    6.5941    0.9696 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.7450    5.7732    0.2658 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4100    5.6893    1.2855 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0425    4.4029    1.7267 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0725    4.1062    0.0275 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4671    2.8998   -0.0354 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5672   -0.5941   -0.2381 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000    0.9232   -1.1200 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5892    0.9321    0.6608 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1430    2.2886    0.5727 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7575    5.3929    2.0228 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8396    5.6980   -0.4807 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6418    2.7711    0.2423 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7071    4.5079   -2.0405 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6177    3.1150   -2.2390 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2542    2.8909   -1.6114 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2809    5.0902    0.2427 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3635    7.3514    0.0081 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6515    4.8871   -0.7289 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8697    8.0345   -0.6773 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3840    9.2522    1.4674 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2065    8.4542    1.5366 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2719    6.9882    1.8598 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7336    6.0571   -0.6678 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0558    6.1223    2.0555 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9207    4.2914    1.3077 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 35  1  0  0  0  0
  1 36  1  0  0  0  0
  1 37  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 34  2  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5 16  1  0  0  0  0
  6  7  1  0  0  0  0
  6 14  1  0  0  0  0
  6 38  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 39  1  0  0  0  0
 10 11  1  0  0  0  0
 10 14  1  0  0  0  0
 10 40  1  6  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 41  1  1  0  0  0
 12 42  1  0  0  0  0
 12 43  1  0  0  0  0
 12 44  1  0  0  0  0
 13 45  1  0  0  0  0
 14 15  2  0  0  0  0
 16 17  1  0  0  0  0
 16 33  2  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 46  1  0  0  0  0
 19 20  1  0  0  0  0
 19 33  1  0  0  0  0
 20 21  1  0  0  0  0
 20 31  1  0  0  0  0
 20 47  1  6  0  0  0
 21 22  1  0  0  0  0
 22 29  1  0  0  0  0
 22 23  1  0  0  0  0
 22 48  1  6  0  0  0
 23 24  1  0  0  0  0
 23 49  1  0  0  0  0
 23 50  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 29 51  1  1  0  0  0
 30 52  1  0  0  0  0
 31 32  1  0  0  0  0
 31 53  1  1  0  0  0
 32 54  1  0  0  0  0
 33 34  1  0  0  0  0
M  CHG  2  27  -1  28  -1
M  END
>  <Source>
MODOMICS database http://genesilico.pl/modomics/

$$$$
