cxylin0355
     RDKit          3D

 46 49  0  0  1  0  0  0  0  0999 V2000
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    3.2581   -5.4409   -1.6367 C   0  0  0  0  0  2  0  0  0  0  0  0
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   -2.6664   -2.6178    2.1988 C   0  0  0  0  0  3  0  0  0  0  0  0
    0.9977   -3.8155   -0.8959 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6934    1.1099    4.1351 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3804   -1.1134    0.1485 N   0  0  0  0  0  2  0  0  0  0  0  0
   -1.5521    3.9166    4.8023 N   0  0  0  0  0  2  0  0  0  0  0  0
    3.3053   -4.0039   -1.1264 N   0  0  0  0  0  2  0  0  0  0  0  0
    0.1091    2.0155    2.0566 N   0  0  0  0  0  2  0  0  0  0  0  0
   -3.0903    2.2015   -0.6301 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -7.8126   -1.3601 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1622    0.9370   -0.6320 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4680    5.1361    4.6810 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1411   -7.1359   -3.4141 O   0  0  0  0  0  1  0  0  0  0  0  0
  1  2  2  0
  1  3  1  0
  2  4  1  0
  3  5  2  0
  4  6  2  0
  5  6  1  0
  5 42  1  0
  6 19  1  0
  7 13  1  0
  7 40  1  0
  8 14  1  0
  8 35  2  0
  8 40  1  0
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  9 41  1  0
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 33 34  1  0
 46 13  1  0
M  RAD  8   1   2   2   2   3   2   4   2   7   3   9   3  11   3  14   2
M  RAD  8  16   3  18   3  20   2  21   3  22   3  25   2  28   2  29   2
M  RAD  8  30   2  31   2  32   2  33   2  34   2  38   2  39   2  40   2
M  RAD  2  41   2  46   2
M  END
$$$$
