412
 OpenBabel09292113373D

 42 44  0  0  1  0  0  0  0  0999 V2000
    2.8984    1.3168    0.0158 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2358    0.2117    0.0391 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9352    0.1192   -0.3341 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8905   -1.0114    0.4498 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9828   -1.0931    1.3062 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3747   -2.4175    1.4371 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5011   -2.8366    2.2753 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.1713   -4.0138    1.7758 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3218   -4.9609    2.8663 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.2672   -6.0663    2.8777 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4566   -6.9600    1.7806 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3748   -8.3098    1.7527 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.9293   -8.6733    3.1472 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2242   -7.3071    1.5605 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.2931   -9.6596    1.7249 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.2167   -4.1111    4.1314 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.4529   -3.3938    4.4010 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1688   -3.0697    3.7541 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.3484   -1.8908    4.5626 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5645   -3.1700    0.6300 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6842   -4.4931    0.4197 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7726   -5.0290   -0.3374 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7412   -6.3549   -0.6158 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7713   -4.3120   -0.9359 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6481   -2.9529   -0.8244 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7828   -2.3148   -1.4204 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6221   -2.3485    0.0566 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2664    2.0495   -0.2998 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6610    0.7705   -1.0524 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6290   -0.8198   -0.6094 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5127   -0.3107    1.8347 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2333   -2.0233    2.1881 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3173   -5.4057    2.7572 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2590   -5.6480    2.8627 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4003   -6.6106    3.8189 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9693   -4.6637    5.0429 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0415   -3.5667    3.6416 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1502   -3.4442    3.8975 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2837   -1.9422    4.8555 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3303   -6.7789    0.1453 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8811   -6.7962   -0.3001 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1436   -4.8155   -1.5338 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1 28  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3 29  1  0  0  0  0
  3 30  1  0  0  0  0
  4  5  2  0  0  0  0
  4 27  1  0  0  0  0
  5  6  1  0  0  0  0
  5 31  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 32  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 33  1  6  0  0  0
 10 11  1  0  0  0  0
 10 34  1  0  0  0  0
 10 35  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 36  1  1  0  0  0
 17 37  1  0  0  0  0
 18 19  1  0  0  0  0
 18 38  1  1  0  0  0
 19 39  1  0  0  0  0
 20 21  1  0  0  0  0
 20 27  2  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 40  1  0  0  0  0
 23 41  1  0  0  0  0
 24 25  1  0  0  0  0
 24 42  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
M  CHG  2  14  -1  15  -1
M  END
>  <Source>
MODOMICS database http://genesilico.pl/modomics/

$$$$
