369
 OpenBabel09292113313D

 45 46  0  0  1  0  0  0  0  0999 V2000
   11.1078   -9.1680   -3.0107 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9990   -7.7911   -2.6412 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7035   -7.3747   -2.4735 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7292   -8.0886   -2.6679 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6905   -5.9187   -2.0188 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3542   -5.4610   -1.9095 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1206   -4.1810   -1.4584 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9192   -3.4197   -0.6884 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6145   -2.1083   -0.3199 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5623   -1.4056    0.5723 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.8102   -2.2203    1.7421 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5507   -1.4210    2.9327 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.1189   -1.5849    3.4418 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9362   -2.8866    4.0037 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3724   -3.1728    4.6861 P   0  0  0  0  0  0  0  0  0  0  0  0
    6.7412   -2.0808    5.7167 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8055   -2.8437    3.2860 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.8087   -3.4591    5.3685 O   0  5  0  0  0  0  0  0  0  0  0  0
    9.8177    0.0173    2.4877 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.2299    0.3032    2.4951 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2565    0.0230    1.0641 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.8850    0.9758    0.1894 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5005    2.3095    0.4782 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4806   -1.4804   -0.8231 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2431   -0.2765   -0.7908 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5990   -2.2924   -1.4780 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8204   -3.5693   -1.8781 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0402   -4.1559   -2.6323 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1646   -9.3928   -3.1772 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5636   -9.3694   -3.9392 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7415   -9.8067   -2.2009 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2116   -5.3251   -2.7790 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2065   -5.8691   -1.0558 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8550   -3.7980   -0.2965 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5117   -1.3866    0.0195 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2648   -1.7532    3.6940 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4155   -1.4247    2.6223 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9402   -0.8261    4.2118 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3371    0.7676    3.1242 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6737   -0.4835    2.1448 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1829    0.2148    1.1381 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9730    2.9633   -0.2603 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8462    2.6088    1.4712 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4157    2.4262    0.3994 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7459   -1.8578   -1.7910 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  1 31  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 32  1  0  0  0  0
  5 33  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 27  1  0  0  0  0
  8  9  1  0  0  0  0
  8 34  1  0  0  0  0
  9 10  1  0  0  0  0
  9 24  1  0  0  0  0
 10 11  1  0  0  0  0
 10 21  1  0  0  0  0
 10 35  1  6  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 19  1  0  0  0  0
 12 36  1  1  0  0  0
 13 14  1  0  0  0  0
 13 37  1  0  0  0  0
 13 38  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 39  1  1  0  0  0
 20 40  1  0  0  0  0
 21 22  1  0  0  0  0
 21 41  1  1  0  0  0
 22 23  1  0  0  0  0
 23 42  1  0  0  0  0
 23 43  1  0  0  0  0
 23 44  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 45  1  0  0  0  0
 27 28  2  0  0  0  0
M  CHG  2  17  -1  18  -1
M  END
>  <Source>
MODOMICS database http://genesilico.pl/modomics/

$$$$
