80
 OpenBabel09292113343D

 41 42  0  0  1  0  0  0  0  0999 V2000
    1.5797    1.3024   -0.0615 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2926    0.0799    0.0895 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7103   -0.1639    1.4384 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4810   -1.4894    1.5217 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.7433   -2.7425    1.7106 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9127   -2.8948    2.8112 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5732   -1.9833    3.5609 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4956   -4.1754    3.0626 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0521   -5.3086    2.5298 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8387   -6.4227    2.9849 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9145   -5.1024    1.3503 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4742   -6.3086    0.6528 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4953   -7.0658    1.5000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6240   -8.3290    1.0006 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5436   -9.2114    1.6599 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1540   -6.5861    2.4085 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1694   -3.8419    0.9781 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4376   -1.3864    2.5896 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5677    0.0032    2.9602 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.0529    0.1962    4.3878 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8147   -0.5930    5.2984 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7756    0.8181    1.9410 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.6505    1.2603    0.8914 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3287    1.4212   -1.1183 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1900    2.1601    0.2390 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6544    1.2778    0.5197 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8401   -0.1497    2.1004 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0631   -1.5859    0.5955 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9436   -4.3040    3.8966 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9876   -6.0161   -0.2691 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6550   -6.9853    0.3863 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0083  -10.1357    1.8969 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9678   -8.8055    2.5812 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3531   -9.4565    0.9641 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7832   -3.6343    0.1090 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6395    0.2281    2.9239 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0056   -0.0963    4.4921 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1517    1.2435    4.6893 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7206   -1.5165    4.9956 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3375    1.7226    2.3729 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9473    0.4911    0.3754 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
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 22  1  0  0  0  0
  3 27  1  1  0  0  0
  4  5  1  0  0  0  0
  4 18  1  0  0  0  0
  4 28  1  6  0  0  0
  5  6  1  0  0  0  0
  5 17  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 29  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 17  2  0  0  0  0
 12 13  1  0  0  0  0
 12 30  1  0  0  0  0
 12 31  1  0  0  0  0
 13 14  1  0  0  0  0
 13 16  2  0  0  0  0
 14 15  1  0  0  0  0
 15 32  1  0  0  0  0
 15 33  1  0  0  0  0
 15 34  1  0  0  0  0
 17 35  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 22  1  0  0  0  0
 19 36  1  6  0  0  0
 20 21  1  0  0  0  0
 20 37  1  0  0  0  0
 20 38  1  0  0  0  0
 21 39  1  0  0  0  0
 22 23  1  0  0  0  0
 22 40  1  1  0  0  0
 23 41  1  0  0  0  0
M  END
>  <Source>
MODOMICS database http://genesilico.pl/modomics/

$$$$
