
     RDKit          3D

 57 60  0  0  0  0  0  0  0  0999 V2000
    4.5685    1.9563    3.8086 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0109    1.7756    2.6937 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1376    1.5569    0.2916 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7792    1.4444    0.2435 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0263    1.3679    1.3772 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6323    1.5637    2.6267 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5764    0.9734    1.2796 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4338   -0.2518    0.4610 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9334   -0.4188   -0.0838 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0481   -0.5102    0.9939 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.8035    0.8624   -0.1782 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5937    1.7175   -1.2562 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5475    1.5333   -2.1977 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3549    0.5678   -1.7248 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.1829   -0.9852   -1.6681 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7466   -1.4348   -0.4017 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.9608   -1.4723    1.1211 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5642   -2.4624    0.0982 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5901   -1.8676   -0.7777 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8722   -1.6666   -0.0843 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9408   -1.1028   -1.0381 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5043    0.1522   -1.6823 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9439    1.3604   -0.9629 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8508    1.8648    1.5791 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3114    1.3303   -0.6841 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0462    1.5235    3.5368 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0438    1.8213    0.7971 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1372    0.8228    2.2905 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.8071    0.3793   -3.3165 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0619   -1.4249   -2.1213 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2940   -2.2162    0.1094 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7434   -1.2228    1.8685 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1653   -1.9997    1.6884 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7512   -2.8641   -0.5412 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9839   -3.3374    0.6417 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2379   -0.9642   -1.1643 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2424   -2.6434    0.2972 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7540   -0.9993    0.7907 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8989   -0.9704   -0.4876 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1276   -1.8696   -1.8231 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9402    0.1889   -2.6336 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7752    2.2473   -1.6113 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0361    1.3178   -0.7505 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
  9 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
  7  2  1  0
 21 13  1  0
 28  4  1  0
 21 16  1  0
  3 29  1  0
  5 30  1  0
  7 31  1  0
  8 32  1  0
  8 33  1  0
 10 34  1  0
 10 35  1  0
 11 36  1  0
 11 37  1  0
 12 38  1  0
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 14 40  1  0
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 20 45  1  0
 22 46  1  0
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 24 50  1  0
 25 51  1  0
 25 52  1  0
 26 53  1  0
 26 54  1  0
 27 55  1  0
 28 56  1  0
 28 57  1  0
M  END
$$$$
