87
 OpenBabel09292113343D

 40 41  0  0  1  0  0  0  0  0999 V2000
    2.6308    2.8923   -5.9032 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8541    3.8720   -4.8933 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7018    3.2721   -3.4953 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6729    2.1307   -3.1924 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.0804    2.1404   -1.8084 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8541    0.8745   -3.4382 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.3229   -0.2301   -2.6655 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4482    1.3434   -3.0354 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.3506    0.6198   -3.6771 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5724   -0.0191   -2.8615 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5548   -0.0018   -1.6330 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5588   -0.7107   -3.5160 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6829   -0.8579   -4.8670 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5831   -1.5208   -5.3727 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6858   -0.1418   -5.6940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7805   -0.2581   -7.1892 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0598    0.1704   -7.7827 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3376    1.6009   -7.5032 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6464    1.9964   -8.1793 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3442    2.9372   -7.8380 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9234    1.2040   -9.2455 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2584    0.5571   -5.0547 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3591    2.7452   -3.3629 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0119    3.2942   -6.5406 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1222    4.6761   -5.0306 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8570    4.2865   -5.0342 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8079    4.0772   -2.7595 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5919    2.1590   -3.7857 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3508    2.4868   -1.2628 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9090    0.5945   -4.4938 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8418    0.1533   -1.9282 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3479    1.2736   -1.9464 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2359   -1.1802   -2.9350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6228   -1.3093   -7.4628 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0355    0.2928   -7.6743 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7873   -0.3970   -7.3204 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5460    2.2327   -7.9195 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4455    1.7810   -6.4297 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2168    0.5161   -9.2843 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0120    1.0978   -5.6168 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 24  1  0  0  0  0
  2  3  1  0  0  0  0
  2 25  1  0  0  0  0
  2 26  1  0  0  0  0
  3  4  1  0  0  0  0
  3 23  1  0  0  0  0
  3 27  1  1  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 28  1  6  0  0  0
  5 29  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 30  1  6  0  0  0
  7 31  1  0  0  0  0
  8  9  1  0  0  0  0
  8 23  1  0  0  0  0
  8 32  1  1  0  0  0
  9 10  1  0  0  0  0
  9 22  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 33  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 22  2  0  0  0  0
 16 17  1  0  0  0  0
 16 34  1  0  0  0  0
 16 35  1  0  0  0  0
 17 18  1  0  0  0  0
 17 36  1  0  0  0  0
 18 19  1  0  0  0  0
 18 37  1  0  0  0  0
 18 38  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 39  1  0  0  0  0
 22 40  1  0  0  0  0
M  END
>  <Source>
MODOMICS database http://genesilico.pl/modomics/

$$$$
