418
 OpenBabel09292113302D

 41 44  0  0  1  0  0  0  0  0999 V2000
   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
   11.6256   -4.4046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2134   -3.5956    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6311   -4.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2243   -3.3865    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.8121   -2.5775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8066   -2.6820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4054   -1.6639    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4109   -1.5594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2298   -3.2820    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.8231   -2.3684    0.0000 O   0  0  0  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
  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 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 25  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 25  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 28  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 26  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 26 27  2  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
M  CHG  2  36  -1  37  -1
M  END
>  <Source>
MODOMICS database http://genesilico.pl/modomics/

$$$$
