326
 OpenBabel09292113302D

 50 55  0  0  1  0  0  0  0  0999 V2000
    3.8147    0.2024    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2215    1.1160    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7215    1.9820    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.3906    2.7251    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3041    2.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1996    1.3239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0086    0.7361    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9222    1.1428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0267    2.1374    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2177    2.7251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3222    3.7197    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7312    0.5551    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3147   -0.6636    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.3092   -0.7681    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6456   -1.4067    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.8535   -2.3849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7321   -1.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.8660   -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  2  0  0  0  0  0  0  0  0  0
    2.0000    0.0000    0.0000 O   0  5  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
    0.0000   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0000   -0.0000    0.0000 P   0  0  2  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
   -2.0000   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   -0.0000    0.0000 P   0  0  1  0  0  0  0  0  0  0  0  0
   -3.0000    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0000   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5000    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0000    1.7321    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.4067    2.6456    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.3849    2.8535    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6636    3.3147    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.7681    4.3092    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7976    2.8147    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.8840    3.2215    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6761    4.1996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2639    5.0086    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8572    5.9222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8626    6.0267    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2749    5.2177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7197    5.3222    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6816    4.3041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2749    3.3906    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0180    2.7215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0055    1.8366    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   -1.0000    0.0000 O   0  5  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
    2.8366   -0.0055    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  1  0  0  0
  1 50  1  0  0  0  0
  1 13  1  0  0  0  0
  2  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5 10  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 12  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 13 14  1  6  0  0  0
 13 15  1  0  0  0  0
 15 16  1  6  0  0  0
 15 17  1  0  0  0  0
 17 18  1  1  0  0  0
 17 50  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  6  0  0  0
 20 22  2  0  0  0  0
 20 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  6  0  0  0
 24 26  1  0  0  0  0
 24 49  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  1  0  0  0
 27 29  1  0  0  0  0
 27 48  1  0  0  0  0
 29 30  1  0  0  0  0
 31 30  1  6  0  0  0
 31 32  1  0  0  0  0
 31 47  1  0  0  0  0
 32 33  1  1  0  0  0
 32 34  1  0  0  0  0
 34 35  1  1  0  0  0
 34 36  1  0  0  0  0
 36 37  1  6  0  0  0
 36 47  1  0  0  0  0
 37 46  1  0  0  0  0
 37 38  1  0  0  0  0
 38 44  2  0  0  0  0
 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
 40 41  1  0  0  0  0
 41 42  2  0  0  0  0
 42 43  1  0  0  0  0
 42 44  1  0  0  0  0
 44 45  1  0  0  0  0
 45 46  2  0  0  0  0
M  CHG  3  21  -1  48  -1  49  -1
M  END
>  <Source>
MODOMICS database http://genesilico.pl/modomics/

$$$$
