419
 OpenBabel09292113302D

 28 31  0  0  1  0  0  0  0  0999 V2000
   -6.1702   -4.0036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2191   -4.3126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4101   -3.7248    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6011   -4.3126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6229   -4.1047    0.0000 N   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
   -2.2628   -5.7989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2410   -6.0068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5500   -6.9579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9101   -5.2637    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9101   -5.2637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4979   -6.0727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4538   -6.3867    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
   -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  2  1  0  0  0  0
  2 11  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4 10  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6 15  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 13  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 16 15  1  6  0  0  0
 16 17  1  0  0  0  0
 16 27  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  6  0  0  0
 18 25  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
 25 26  1  1  0  0  0
 25 27  1  0  0  0  0
 27 28  1  1  0  0  0
M  CHG  2  23  -1  24  -1
M  END
>  <Source>
MODOMICS database http://genesilico.pl/modomics/

$$$$
