cxylin0553
     RDKit          3D

 45 47  0  0  1  0  0  0  0  0999 V2000
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    9.1439    1.9017    1.4442 C   0  0  0  0  0  3  0  0  0  0  0  0
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  -11.6314   -2.0615    4.6405 O   0  0  0  0  0  1  0  0  0  0  0  0
   -2.3810   -0.0878   -0.0610 N   0  0  0  0  0  2  0  0  0  0  0  0
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    0.6836   -0.3735    1.7245 N   0  0  0  0  0  2  0  0  0  0  0  0
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   -1.8149   -1.6705    1.5354 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1679   -0.1225   -1.6100 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6557   -3.4720   -3.4509 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -5.4598    0.2108   -6.0076 N   0  0  0  0  0  2  0  0  0  0  0  0
   -5.5039    1.5596   -7.8432 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0780    2.2186   -6.1994 N   0  0  0  0  0  1  0  0  0  0  0  0
  1  5  1  0
  2  5  1  0
  3  6  2  0
  3  7  1  0
  4  6  1  0
  4 34  1  0
  5  8  1  0
  6 14  1  0
  7  9  2  0
  8 15  1  0
  8 38  1  0
  9 22  1  0
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 31 44  2  0
 31 45  1  0
M  RAD  8   1   2   2   2   3   2   4   3   5   2   7   2   8   2  10   2
M  RAD  8  11   3  14   2  16   2  19   3  20   3  21   2  22   2  23   3
M  RAD  8  24   2  27   3  28   2  29   3  30   3  34   2  35   2  38   2
M  RAD  3  39   2  43   2  45   3
M  END
$$$$
