53
 OpenBabel09292113323D

 46 47  0  0  1  0  0  0  0  0999 V2000
    4.1982    4.7781    2.0944 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0456    3.3627    2.0581 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5948    2.7635    0.8845 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.9538    3.2318   -0.4222 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5413    3.4353   -0.3057 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2302    2.0768   -1.3769 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5456    2.2572   -2.1392 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7909    1.1318   -2.9785 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3432    0.8745   -0.5778 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3457    1.2441    0.8214 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.3328    0.4339    1.5400 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0479    0.1085    2.8633 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0651    0.5614    3.4499 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9502   -0.7472    3.4940 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6069   -1.2529    4.8229 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2786   -0.4982    5.9771 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8724    0.9753    6.1035 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.3663    1.1534    6.3749 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6870    0.3781    7.0313 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8939    2.3510    5.9451 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6181    1.5848    7.2305 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1457   -1.1585    2.9354 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9891   -1.8485    3.5013 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4011   -0.7191    1.5544 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4955    0.0272    0.9280 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8525    5.1361    3.0680 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5889    5.2587    1.3239 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2488    5.0569    1.9711 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6760    2.9527    0.8608 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3744    4.1788   -0.7741 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1773    2.8294    0.3648 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4081    1.9117   -2.0818 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3968    2.3398   -1.4569 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5140    3.1524   -2.7669 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5449    0.3374   -2.4668 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3438    1.0096    1.2079 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9296   -2.3010    4.8722 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5215   -1.2641    4.9504 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3685   -0.5627    5.8639 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0319   -1.0305    6.9058 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1461    1.5052    5.1857 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5057    2.8120    5.3401 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4365    1.0241    8.0690 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2210    2.5008    7.4491 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3187   -1.0510    1.0868 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6600    0.3265   -0.1022 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 10  1  0  0  0  0
  3 29  1  6  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 30  1  6  0  0  0
  5 31  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  6 32  1  6  0  0  0
  7  8  1  0  0  0  0
  7 33  1  0  0  0  0
  7 34  1  0  0  0  0
  8 35  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 36  1  1  0  0  0
 11 12  1  0  0  0  0
 11 25  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 22  1  0  0  0  0
 15 16  1  0  0  0  0
 15 37  1  0  0  0  0
 15 38  1  0  0  0  0
 16 17  1  0  0  0  0
 16 39  1  0  0  0  0
 16 40  1  0  0  0  0
 17 18  1  0  0  0  0
 17 21  1  0  0  0  0
 17 41  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 42  1  0  0  0  0
 21 43  1  0  0  0  0
 21 44  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 45  1  0  0  0  0
 25 46  1  0  0  0  0
M  END
>  <Source>
MODOMICS database http://genesilico.pl/modomics/

$$$$
