287
 OpenBabel09292113333D

 51 55  0  0  1  0  0  0  0  0999 V2000
    1.0781    0.2210    0.0663 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4594    0.1123    0.0381 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1693   -1.0966    0.0185 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5533   -1.0132   -0.0014 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0298   -2.3077    0.0188 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4254   -2.7171   -0.1513 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.4955   -1.7982    0.4550 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.0558   -0.8795   -0.5018 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5692   -2.7942    0.8750 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.3511   -3.0941   -0.3127 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7609   -4.0006    1.3238 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3040   -3.8894    2.7761 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6725   -5.0998    3.1420 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1961   -5.1728    4.7077 P   0  0  0  0  0  0  0  0  0  0  0  0
    5.2773   -3.9673    4.8529 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5105   -6.5248    4.8103 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.5084   -5.0546    5.4718 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.6491   -4.0433    0.3925 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0256   -3.2199   -0.1033 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9095   -2.4834   -0.0024 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5850   -3.0839    0.0011 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5285   -2.5043   -0.6464 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5271   -3.2880   -0.4798 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1512   -4.3573    0.2774 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0768   -5.3700    0.6357 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3891   -5.3229    0.1330 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3098   -6.3158    0.4772 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9250   -7.3503    1.3284 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1761   -8.6862    1.8006 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -1.6278   -7.4050    1.8338 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6998   -6.4174    1.4874 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1814   -4.2588    0.5838 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2710    0.1199   -0.0422 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4944    1.2094   -0.0323 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1507    1.2720   -0.0100 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5671   -0.5934   -0.2638 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7612    1.1260   -0.2499 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5572   -2.8000   -1.2369 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1232   -1.2382    1.3193 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7966   -1.3733   -0.9120 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2596   -2.3926    1.6217 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0565   -3.9742   -0.6213 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3184   -4.9342    1.1859 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6033   -3.0595    2.9055 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1763   -3.7275    3.4176 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7073   -4.5217   -0.5304 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3188   -6.2695    0.0780 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3215   -8.2040    2.5042 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3010   -6.4862    1.9106 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7306   -4.9816    1.1702 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0156    2.1606   -0.0508 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  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
  2 35  2  0  0  0  0
  3  4  2  0  0  0  0
  3 20  1  0  0  0  0
  4  5  1  0  0  0  0
  4 33  1  0  0  0  0
  5  6  1  0  0  0  0
  5 19  1  0  0  0  0
  6  7  1  0  0  0  0
  6 18  1  0  0  0  0
  6 38  1  6  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 39  1  1  0  0  0
  8 40  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 41  1  1  0  0  0
 10 42  1  0  0  0  0
 11 12  1  0  0  0  0
 11 18  1  0  0  0  0
 11 43  1  6  0  0  0
 12 13  1  0  0  0  0
 12 44  1  0  0  0  0
 12 45  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 32  2  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 32  1  0  0  0  0
 25 26  1  0  0  0  0
 25 31  2  0  0  0  0
 26 27  2  0  0  0  0
 26 46  1  0  0  0  0
 27 28  1  0  0  0  0
 27 47  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  2  0  0  0  0
 30 31  1  0  0  0  0
 30 48  1  0  0  0  0
 31 49  1  0  0  0  0
 32 50  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 34 51  1  0  0  0  0
M  CHG  2  16  -1  17  -1
M  END
>  <Source>
MODOMICS database http://genesilico.pl/modomics/

$$$$
