cxylin0550
     RDKit          3D

 41 42  0  0  1  0  0  0  0  0999 V2000
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    0.7919    3.8315    3.1558 C   0  0  0  0  0  1  0  0  0  0  0  0
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    0.1804    4.3127    1.7519 C   0  0  0  0  0  3  0  0  0  0  0  0
   -7.9049   -0.7562    1.3531 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9516    0.6780    1.5663 C   0  0  0  0  0  3  0  0  0  0  0  0
    7.1911   -1.1916    1.1361 C   0  0  0  0  0  3  0  0  0  0  0  0
    0.7958    3.8846    0.4924 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.2945    1.3441    0.5452 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1816   -1.5342    0.4555 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.4316    1.0735   -0.8237 C   0  0  0  0  0  2  0  0  0  0  0  0
    2.7820    3.9995   -0.8019 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3063   -2.4305    1.7538 C   0  0  0  0  0  3  0  0  0  0  0  0
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    5.3939   -3.1415    0.7098 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3894   -0.9796   -1.1244 C   0  0  0  0  0  2  0  0  0  0  0  0
    4.4880   -4.2254    0.5065 C   0  0  0  0  0  2  0  0  0  0  0  0
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    1.1097   -3.8340   -3.2917 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4440    4.7023   -1.5635 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7628    2.3115    1.1575 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6105   -1.4240    2.0183 O   0  0  0  0  0  1  0  0  0  0  0  0
   -1.1865    2.6207    0.1996 N   0  0  0  0  0  2  0  0  0  0  0  0
    6.1957   -0.9103    0.2699 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2093   -1.6889   -0.7787 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0049    4.4609    0.1748 N   0  0  0  0  0  2  0  0  0  0  0  0
   -3.9132    0.1736    0.2549 N   0  0  0  0  0  2  0  0  0  0  0  0
    0.3223    2.6814   -1.5426 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4342   -3.4470    1.5432 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3016   -5.6941    0.2561 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.1473   -3.4785   -2.0079 N   0  0  0  0  0  2  0  0  0  0  0  0
    1.5973   -4.8618   -3.7647 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4600   -2.9739   -4.2930 N   0  0  0  0  0  1  0  0  0  0  0  0
  1  6  2  0
  1  7  1  0
  2  5  1  0
  3  5  1  0
  4  6  1  0
  4 30  1  0
  5  9  1  0
  6 11  1  0
  7 14  2  0
  8 21  2  0
  8 32  1  0
  9 15  1  0
  9 34  1  0
 10 16  1  0
 10 29  2  0
 10 35  1  0
 11 20  2  0
 12 18  1  0
 12 19  1  0
 13 19  1  0
 13 28  2  0
 13 34  1  0
 14 20  1  0
 14 35  1  0
 15 31  1  0
 15 36  2  0
 16 22  1  0
 16 31  1  0
 17 23  1  0
 17 32  2  0
 17 33  1  0
 18 33  1  0
 21 37  1  0
 22 24  1  0
 23 25  1  0
 23 37  2  0
 24 26  1  0
 25 38  1  0
 26 39  1  0
 27 39  1  0
 27 40  2  0
 27 41  1  0
M  RAD  8   1   2   2   2   3   2   4   3   5   2   7   2   8   2   9   2
M  RAD  8  11   2  12   3  16   2  18   3  19   3  20   2  21   2  22   3
M  RAD  8  24   3  25   3  26   3  30   2  31   2  34   2  35   2  39   2
M  RAD  1  41   3
M  END
$$$$
