164
 OpenBabel09292113333D

 42 43  0  0  1  0  0  0  0  0999 V2000
    4.6630    1.3713   -0.0722 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9317    1.2295    1.1467 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9674    0.2705    1.1161 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2614    0.1374    2.4874 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.5382    1.1318    3.4589 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7884    0.0337    2.2327 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1357   -1.1275    2.1020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2009   -1.2046    1.7665 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8144   -2.4933    1.4322 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.1973   -3.5403    2.2122 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9512   -4.6787    1.3489 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5636   -4.8320    1.1851 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1815   -5.0266    2.4554 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6497   -4.4018    0.0252 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.9791   -4.9356    0.0730 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6446   -2.8789   -0.0539 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.6892   -2.3625   -0.8783 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5125   -2.6605   -2.2599 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9735   -0.0594    1.6087 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1565   -0.0568    1.2803 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3214    1.1268    1.8322 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0235    1.2755    2.0116 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5836    2.3670    1.9791 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7089   -0.4346    0.1447 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1980    2.3238   -0.0360 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0004    1.3848   -0.9441 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3945    0.5619   -0.1584 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6406   -0.7995    2.9118 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2849    1.9891    3.0583 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6705   -2.0631    2.2209 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8778   -2.4618    1.7006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3620   -5.5559    1.8605 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0142   -3.9387    0.7426 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8033   -5.6914    0.5520 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7246   -4.4360    3.0844 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1496   -4.8698   -0.8285 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6083   -4.1984    0.1888 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6735   -2.5175   -0.4186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3009   -2.1555   -2.8245 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6030   -3.7358   -2.4389 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5421   -2.3013   -2.6160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8612    1.9637    1.6740 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 24  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 28  1  0  0  0  0
  5 29  1  0  0  0  0
  6  7  2  0  0  0  0
  6 22  1  0  0  0  0
  7  8  1  0  0  0  0
  7 30  1  0  0  0  0
  8  9  1  0  0  0  0
  8 19  1  0  0  0  0
  9 10  1  0  0  0  0
  9 16  1  0  0  0  0
  9 31  1  1  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 11 32  1  1  0  0  0
 12 13  1  0  0  0  0
 12 33  1  0  0  0  0
 12 34  1  0  0  0  0
 13 35  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 36  1  6  0  0  0
 15 37  1  0  0  0  0
 16 17  1  0  0  0  0
 16 38  1  6  0  0  0
 17 18  1  0  0  0  0
 18 39  1  0  0  0  0
 18 40  1  0  0  0  0
 18 41  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 42  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <Source>
MODOMICS database http://genesilico.pl/modomics/

$$$$
