cxylin0401
     RDKit          3D

 41 43  0  0  1  0  0  0  0  0999 V2000
    6.9352    1.3273    3.0882 C   0  0  0  0  0  3  0  0  0  0  0  0
    7.2207    3.0031    0.9946 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0854    0.3004    3.8146 C   0  0  0  0  0  3  0  0  0  0  0  0
    6.4471    1.9635    1.8458 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.7523   -0.0536    3.1761 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.3507    0.5678    1.8844 C   0  0  0  0  0  3  0  0  0  0  0  0
    2.1416    2.1574    1.2347 C   0  0  0  0  0  3  0  0  0  0  0  0
   -7.3718    2.1755   -1.2878 C   0  0  0  0  0  3  0  0  0  0  0  0
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    2.2141    0.8502    0.7138 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0772    3.0335    0.9549 C   0  0  0  0  0  3  0  0  0  0  0  0
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    1.1515    0.4315   -0.1358 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.0295   -0.8646   -0.9292 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0942    1.3530   -0.4070 C   0  0  0  0  0  3  0  0  0  0  0  0
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   -1.0857    3.5300   -0.1153 C   0  0  0  0  0  2  0  0  0  0  0  0
    8.0710    1.7005    3.5267 O   0  0  0  0  0  1  0  0  0  0  0  0
    7.8631    2.5809   -0.0363 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5504   -0.3766    4.7870 O   0  0  0  0  0  1  0  0  0  0  0  0
    7.0769    4.2604    1.2633 O   0  0  0  0  0  1  0  0  0  0  0  0
    5.2094    1.5171    1.2858 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8727   -0.7540    3.7787 O   0  0  0  0  0  1  0  0  0  0  0  0
   -7.2918    1.1685    0.8203 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2456    0.0136    1.1381 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1824   -1.4600   -0.8122 N   0  0  0  0  0  2  0  0  0  0  0  0
   -6.4636    0.1010   -1.1258 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1808    4.4142   -0.3353 O   0  0  0  0  0  1  0  0  0  0  0  0
   -6.9192   -0.2586   -3.4227 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9700   -1.1876   -1.6490 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1003   -3.7472    0.0311 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3953   -4.1567   -1.0216 C   0  0  0  0  0  2  0  0  0  0  0  0
   -3.6408   -4.6249   -2.2808 C   0  0  0  0  0  2  0  0  0  0  0  0
   -2.9549   -5.0548   -3.4859 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8104   -4.4538   -3.8302 N   0  0  0  0  0  2  0  0  0  0  0  0
   -3.5324   -5.9415   -4.1355 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0495   -1.1140   -0.6929 C   0  0  0  0  0  2  0  0  0  0  0  0
   -5.5533   -2.5235   -0.2772 C   0  0  0  0  0  2  0  0  0  0  0  0
  1  3  1  0
  1  4  1  0
  1 21  1  0
  2 22  2  0
  2 24  1  0
  3  5  1  0
  3 23  1  0
  4  2  1  0
  4 25  1  0
  5  6  1  0
  5 26  1  0
  6 25  1  0
  6 28  1  0
  7 10  2  0
  7 11  1  0
  8  9  1  0
  8 12  2  0
  9 27  2  0
  9 30  1  0
 10 14  1  0
 10 28  1  0
 11 15  2  0
 12 16  1  0
 13 19  1  0
 14 17  1  0
 14 18  2  0
 15 18  1  0
 15 20  1  0
 16 30  1  0
 16 32  2  0
 17 29  1  0
 17 33  2  0
 19 29  1  0
 20 31  1  0
 30 40  1  0
 34 35  1  0
 35 36  1  0
 36 37  1  0
 37 38  1  0
 37 39  2  0
 38 13  1  0
 40 41  1  0
 41 34  1  0
M  RAD  8   1   2   3   2   4   2   5   2   6   2   7   2   8   2  11   2
M  RAD  8  12   2  13   3  18   2  19   3  20   3  21   2  23   2  24   2
M  RAD  8  26   2  29   2  31   2  35   3  36   3  38   2  40   3  41   3
M  END
$$$$
