422
 OpenBabel09292113292D

 42 45  0  0  1  0  0  0  0  0999 V2000
   12.8458    7.1452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8513    7.0407    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4445    6.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0323    5.3181    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4500    6.0226    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0433    5.1091    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.6311    4.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6256    4.4046    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2243    3.3865    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2298    3.2820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0488    5.0045    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.6420    4.0910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6475    3.9865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9784    4.7296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1863    5.7078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0648    4.3229    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1694    3.3283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5002    2.5852    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5221    2.7931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8092    1.6341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7874    1.4262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4565    2.1694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4347    1.9615    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1475    3.1204    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8919    0.4317    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9784    0.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3092    0.7681    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
    3.6456    1.4067    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7321    1.0000    0.0000 C   0  0  2  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  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
    2.8366    0.0055    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0934   -0.6637    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4610    5.8136    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8677    6.7271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  1  0  0  0  0
 11 41  1  0  0  0  0
 12 13  1  0  0  0  0
 13 24  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 24  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 27  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 25  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 28 27  1  1  0  0  0
 28 29  1  0  0  0  0
 28 39  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  1  0  0  0
 30 37  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 33 36  1  0  0  0  0
 37 38  1  6  0  0  0
 37 39  1  0  0  0  0
 39 40  1  6  0  0  0
 41 42  1  0  0  0  0
M  CHG  2  35  -1  36  -1
M  END
>  <Source>
MODOMICS database http://genesilico.pl/modomics/

$$$$
