431
 OpenBabel09292113353D

 44 46  0  0  1  0  0  0  0  0999 V2000
    3.0067    1.1609    0.5783 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2190    0.1405   -0.0128 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7328   -0.3055   -1.2818 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5564    0.7121   -2.4094 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3465    1.4760   -2.2325 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4458   -0.1741   -3.6468 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.8117   -0.5394   -4.2189 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6232   -1.2705   -5.4134 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0150   -1.6170   -6.2088 P   0  0  0  0  0  0  0  0  0  0  0  0
    5.5804   -0.2403   -6.5298 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8179   -2.3954   -5.1765 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.5492   -2.4185   -7.4116 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.7146   -1.3457   -3.1953 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9177   -1.5094   -1.7752 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4679   -2.8292   -1.4934 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2417   -3.9652   -2.2294 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6607   -5.0467   -1.6039 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2653   -4.6003   -0.4436 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9291   -5.2610    0.6304 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1057   -6.6396    0.7871 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8036   -7.5587   -0.2997 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1311   -7.0876    1.7211 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3711   -4.4555    1.6515 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1554   -3.1280    1.6007 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5276   -2.4275    0.6550 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1221   -3.2161   -0.3514 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6715    1.2872    1.6114 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8589    2.1080    0.0530 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0646    0.8891    0.5892 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7922   -0.5719   -1.1859 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3812    1.4297   -2.4539 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6203    0.9451   -2.6042 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8320    0.2911   -4.4266 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3856   -1.1447   -3.5118 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3641    0.3809   -4.4376 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9212   -1.5123   -1.3175 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7610   -3.9387   -3.2009 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0381   -7.2180   -0.9959 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4121   -8.4879    0.1315 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7070   -7.8125   -0.8650 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4375   -6.3453    2.4649 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0334   -7.4078    1.1869 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7516   -7.9486    2.2827 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5328   -2.5575    2.4418 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 14  1  0  0  0  0
  3 30  1  1  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 31  1  6  0  0  0
  5 32  1  0  0  0  0
  6  7  1  0  0  0  0
  6 13  1  0  0  0  0
  6 33  1  6  0  0  0
  7  8  1  0  0  0  0
  7 34  1  0  0  0  0
  7 35  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 36  1  1  0  0  0
 15 16  1  0  0  0  0
 15 26  1  0  0  0  0
 16 17  2  0  0  0  0
 16 37  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 26  2  0  0  0  0
 19 20  1  0  0  0  0
 19 23  2  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 38  1  0  0  0  0
 21 39  1  0  0  0  0
 21 40  1  0  0  0  0
 22 41  1  0  0  0  0
 22 42  1  0  0  0  0
 22 43  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 44  1  0  0  0  0
 25 26  1  0  0  0  0
M  CHG  2  11  -1  12  -1
M  END
>  <Source>
MODOMICS database http://genesilico.pl/modomics/

$$$$
