113
 OpenBabel09292113373D

 31 33  0  0  1  0  0  0  0  0999 V2000
    1.0695   -0.3855   -0.3554 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3615   -0.0775    0.1540 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2157   -1.3375    0.2950 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.3432   -2.1486   -0.9990 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.7269   -2.4211   -1.3056 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6346   -3.4651   -0.7032 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.2378   -4.5476   -1.4124 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7822   -3.5659    0.8115 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7952   -4.4165    1.4434 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9535   -5.7441    1.7367 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0621   -6.4960    1.5150 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8957   -7.7376    1.8563 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7414   -8.2696    2.4052 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5981   -7.5252    2.6640 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3996   -8.0315    3.1676 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7504   -6.1364    2.2747 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1370   -5.0909    2.3383 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5260   -4.0692    1.8309 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6682   -2.2141    1.3072 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5448    0.4346   -0.2980 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2379    0.4068    1.1280 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8405    0.6268   -0.5351 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2032   -1.0306    0.6581 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9260   -1.6507   -1.8794 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2170   -2.5726   -0.4773 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5788   -3.4019   -0.9901 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1005   -4.2197   -1.7394 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7726   -3.9393    1.0995 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6999   -8.4792    1.7289 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6870   -9.2458    2.6506 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1393   -3.0638    1.7167 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 20  1  0  0  0  0
  2  3  1  0  0  0  0
  2 21  1  0  0  0  0
  2 22  1  0  0  0  0
  3  4  1  0  0  0  0
  3 19  1  0  0  0  0
  3 23  1  1  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 24  1  6  0  0  0
  5 25  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 26  1  6  0  0  0
  7 27  1  0  0  0  0
  8  9  1  0  0  0  0
  8 19  1  0  0  0  0
  8 28  1  1  0  0  0
  9 10  1  0  0  0  0
  9 18  1  0  0  0  0
 10 11  1  0  0  0  0
 10 16  2  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 29  1  0  0  0  0
 13 14  1  0  0  0  0
 13 30  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 31  1  0  0  0  0
M  END
>  <Source>
MODOMICS database http://genesilico.pl/modomics/

$$$$
