415
 OpenBabel09292113302D

 44 48  0  0  1  0  0  0  0  0999 V2000
    1.2868   -7.6069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3733   -7.2002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2688   -6.2057    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6448   -5.7989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4538   -6.3867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2628   -5.7989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2139   -6.1079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4218   -7.0861    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3729   -7.3951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.6819   -8.3462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6819   -8.3462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9909   -7.3951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.9419   -7.0861    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1819   -6.8073    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.1819   -5.8073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0479   -5.3073    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.9139   -5.8073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7799   -5.3073    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -8.6460   -5.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5120   -5.3073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7799   -4.3073    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -8.6460   -3.8073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9139   -3.8073    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.9139   -2.8073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0479   -4.3073    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -5.1819   -3.8073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9538   -4.8479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9538   -4.8479    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3660   -4.0388    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.6750   -3.0878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1340   -2.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.1340   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0000   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0000   -0.0000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0000    1.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.0000   -0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.9430   -3.0878    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.8940   -2.7788    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6340   -4.0388    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2218   -4.8479    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3493   -7.3812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1583   -7.9690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4357   -7.7880    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2 44  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4 28  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5 42  1  0  0  0  0
  6  7  1  0  0  0  0
  6 27  2  0  0  0  0
  7  8  1  0  0  0  0
  9  8  1  1  0  0  0
  9 10  1  0  0  0  0
  9 14  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  6  0  0  0
 12 14  1  0  0  0  0
 14 15  1  6  0  0  0
 16 15  1  6  0  0  0
 16 17  1  0  0  0  0
 16 25  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 21  1  0  0  0  0
 19 20  1  0  0  0  0
 21 22  1  6  0  0  0
 21 23  1  0  0  0  0
 23 24  1  1  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 27 28  1  0  0  0  0
 29 28  1  6  0  0  0
 29 30  1  0  0  0  0
 29 40  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  6  0  0  0
 31 38  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 34 36  1  0  0  0  0
 34 37  1  0  0  0  0
 38 39  1  1  0  0  0
 38 40  1  0  0  0  0
 40 41  1  1  0  0  0
 42 43  2  0  0  0  0
 42 44  1  0  0  0  0
M  CHG  2  36  -1  37  -1
M  END
>  <Source>
MODOMICS database http://genesilico.pl/modomics/

$$$$
