179
 OpenBabel09292113313D

 42 43  0  0  1  0  0  0  0  0999 V2000
    3.1862   -1.2356    0.0752 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3896   -0.1103   -0.3001 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2972    0.0792   -1.6419 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4689    1.3053   -2.0111 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8259    1.9571   -0.9239 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0884    3.0893   -1.2176 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3080    3.9436   -2.2321 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4815    5.0574   -2.4845 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1647    5.9846   -3.5901 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.0247    5.5412   -4.2863 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8461    6.6895   -4.6126 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.1580    6.6012   -3.8282 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8789    5.4267   -4.1903 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0493    7.9306   -4.2492 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.3271    8.3724   -5.4070 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1200    7.4382   -3.1448 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.0598    8.2352   -3.0678 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8372    9.5335   -2.5322 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6574    5.2769   -1.7696 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4927    6.1312   -2.0317 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8556    4.4473   -0.6975 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0560    3.4078   -0.3123 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2898    2.7624    0.7068 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8423   -0.6261   -2.4854 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1468   -1.3351    1.1633 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2286   -1.0781   -0.2208 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7935   -2.1555   -0.3701 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7017    0.9647   -2.7160 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1702    1.9866   -2.5042 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1321    3.7866   -2.9111 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0044    5.9520   -4.2947 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0530    6.6311   -5.6870 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9819    6.5546   -2.7497 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7947    7.4652   -4.0442 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2419    4.6900   -4.1702 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6751    8.7689   -3.9275 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6129    8.1339   -5.2960 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6371    7.4232   -2.1762 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8091   10.0016   -2.3536 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2862   10.1510   -3.2467 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2960    9.4814   -1.5825 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6682    4.6277   -0.1335 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 28  1  0  0  0  0
  4 29  1  0  0  0  0
  5  6  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  6  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  6  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  1  0  0  0
 15 37  1  0  0  0  0
 16 17  1  0  0  0  0
 16 38  1  1  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/

$$$$
