404
 OpenBabel09292113343D

 47 48  0  0  1  0  0  0  0  0999 V2000
    1.1052    0.3008   -0.1244 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3243    0.1857   -0.0283 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1321    1.2778    0.0935 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4819    1.2941   -0.1314 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0577    2.3785   -0.2591 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0840    0.0514   -0.2423 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5229    0.0072   -0.4868 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.8626   -1.0887   -1.3544 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0383   -1.7649   -0.8264 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.6809   -3.1249   -0.2235 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1082   -3.9450   -1.2248 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1375   -5.5579   -0.9241 P   0  0  0  0  0  0  0  0  0  0  0  0
    7.1203   -5.6293    0.5956 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8780   -6.0629   -1.6231 O   0  5  0  0  0  0  0  0  0  0  0  0
    8.4325   -6.0063   -1.5734 O   0  5  0  0  0  0  0  0  0  0  0  0
    8.6184   -0.8014    0.2109 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.4084    0.2445   -0.4114 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3737   -0.1336    0.7810 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6962    1.1191    1.3929 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3520   -1.1155   -0.1408 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0137   -1.1179   -0.0655 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1763   -2.3521   -0.0479 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7277   -2.7504   -1.3798 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7836   -3.2625   -2.2625 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6226   -4.4206   -1.7223 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6958   -5.9595   -1.5785 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.1977   -6.8658   -0.5678 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2689   -5.6974   -1.6166 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1060   -6.5771   -3.0126 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6759    2.1740    0.0838 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8061    0.9201   -1.0253 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7186   -1.9123   -1.6727 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9442   -3.0136    0.5773 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5893   -3.5827    0.1886 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2467   -1.2681    0.9747 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3352    0.1228   -1.3775 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8822   -0.7699    1.5243 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4435    1.4670    0.8628 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9056   -2.0514   -0.1992 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2840   -2.1858    0.5688 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6929   -3.1750    0.4601 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2235   -1.9898   -1.8284 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4605   -2.4435   -2.5289 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3149   -3.5748   -3.1997 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1019   -4.2120   -0.7651 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4148   -4.5802   -2.4613 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0808   -6.7693   -2.9188 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 21  1  0  0  0  0
  3  4  1  0  0  0  0
  3 30  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 20  1  0  0  0  0
  7  8  1  0  0  0  0
  7 18  1  0  0  0  0
  7 31  1  6  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 16  1  0  0  0  0
  9 32  1  6  0  0  0
 10 11  1  0  0  0  0
 10 33  1  0  0  0  0
 10 34  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 35  1  1  0  0  0
 17 36  1  0  0  0  0
 18 19  1  0  0  0  0
 18 37  1  1  0  0  0
 19 38  1  0  0  0  0
 20 21  2  0  0  0  0
 20 39  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 40  1  0  0  0  0
 22 41  1  0  0  0  0
 23 24  1  0  0  0  0
 23 42  1  0  0  0  0
 24 25  1  0  0  0  0
 24 43  1  0  0  0  0
 24 44  1  0  0  0  0
 25 26  1  0  0  0  0
 25 45  1  0  0  0  0
 25 46  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  2  0  0  0  0
 26 29  1  0  0  0  0
 29 47  1  0  0  0  0
M  CHG  2  14  -1  15  -1
M  END
>  <Source>
MODOMICS database http://genesilico.pl/modomics/

$$$$
