433
 OpenBabel09292113353D

 40 42  0  0  1  0  0  0  0  0999 V2000
    0.3075   -1.5761   -2.8329 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3941   -0.6928   -3.3884 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1119    0.1966   -4.1865 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6415   -1.0240   -2.9102 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8264   -0.3676   -3.2637 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8241    0.8268   -3.9010 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0054    1.3569   -4.2658 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2333    0.8358   -4.1057 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1895   -0.3274   -3.4341 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0565   -0.9752   -2.9722 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3871   -2.1586   -2.3544 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7093   -2.2175   -2.4195 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2348   -1.1507   -3.1085 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5887   -0.9803   -3.6055 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.3841   -2.1507   -3.3293 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6038   -1.7411   -2.6547 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.5147   -1.9212   -1.1440 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3875   -3.2987   -0.8604 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3320   -3.6439    0.7410 P   0  0  0  0  0  0  0  0  0  0  0  0
   11.6717   -3.1302    1.2483 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1298   -2.8370    1.2165 O   0  5  0  0  0  0  0  0  0  0  0  0
   10.1572   -5.1494    0.7747 O   0  5  0  0  0  0  0  0  0  0  0  0
   10.7777   -0.2801   -3.0416 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.3007   -0.1524   -4.3915 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3474    0.2396   -3.0671 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.2779    1.3861   -3.9299 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6093   -1.4270   -3.4137 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1140   -1.3090   -1.7919 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5902   -2.6292   -2.9073 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7787   -1.8715   -2.3694 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9591    2.3223   -4.7586 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3304   -3.0125   -2.0126 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4930   -0.9257   -4.6983 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4053   -2.3729   -3.0544 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6543   -1.3842   -0.7354 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4307   -1.5353   -0.6829 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4395    0.2960   -2.3859 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3320   -1.0543   -4.7676 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9961    0.5273   -2.0717 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9990    1.2508   -4.5808 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 30  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  2  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 31  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 13  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 32  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 25  1  0  0  0  0
 14 33  1  6  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 23  1  0  0  0  0
 16 34  1  6  0  0  0
 17 18  1  0  0  0  0
 17 35  1  0  0  0  0
 17 36  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 37  1  1  0  0  0
 24 38  1  0  0  0  0
 25 26  1  0  0  0  0
 25 39  1  1  0  0  0
 26 40  1  0  0  0  0
M  CHG  2  21  -1  22  -1
M  END
>  <Source>
MODOMICS database http://genesilico.pl/modomics/

$$$$
