cxylin0234
     RDKit          3D

 39 40  0  0  1  0  0  0  0  0999 V2000
    5.3833    5.0809    0.0675 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9626    5.7451    1.2056 C   0  0  0  0  0  3  0  0  0  0  0  0
    6.4812    4.9610    1.9360 C   0  0  0  0  0  3  0  0  0  0  0  0
    5.2306    2.7240   -0.5774 C   0  0  0  0  0  2  0  0  0  0  0  0
    6.3514    3.6302    1.4003 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8132    1.5940   -1.5302 C   0  0  0  0  0  2  0  0  0  0  0  0
   -5.7608   -4.9391    1.8048 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.3805    0.4717   -2.4829 C   0  0  0  0  0  2  0  0  0  0  0  0
   -5.2796   -3.6558    1.5483 C   0  0  0  0  0  3  0  0  0  0  0  0
   -4.9955   -5.8388    2.5452 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.9381   -0.6338   -3.4510 C   0  0  0  0  0  2  0  0  0  0  0  0
   -3.7469   -5.4579    3.0246 C   0  0  0  0  0  3  0  0  0  0  0  0
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   -3.5120   -1.9904    1.7166 C   0  0  0  0  0  2  0  0  0  0  0  0
   -3.2637   -4.1732    2.7690 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.2112   -2.7682   -5.4074 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1694   -3.1207   -4.1311 C   0  0  0  0  0  2  0  0  0  0  0  0
   -1.0981   -1.6877    0.3547 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9776   -0.7034    1.3730 C   0  0  0  0  0  3  0  0  0  0  0  0
   -4.6053    3.8839    3.4248 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2135   -2.9910   -3.0076 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4029   -1.8116   -0.9560 C   0  0  0  0  0  2  0  0  0  0  0  0
   -3.8449    0.5232    1.7902 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9261    2.7578    2.7438 C   0  0  0  0  0  2  0  0  0  0  0  0
    4.9265    5.7107   -0.8663 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5829    3.7294    0.2587 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9478    2.6890    1.8913 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7752   -2.5261    1.2032 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4719    3.9749    4.6495 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4551   -1.9453   -2.2021 N   0  0  0  0  0  2  0  0  0  0  0  0
   -3.1520    1.6509    2.0496 N   0  0  0  0  0  2  0  0  0  0  0  0
    4.0601   -2.9837   -6.2767 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0292   -3.3851   -5.3292 N   0  0  0  0  0  2  0  0  0  0  0  0
   -1.9089   -0.6132    0.5067 N   0  0  0  0  0  2  0  0  0  0  0  0
   -5.2746    4.6879    2.5760 N   0  0  0  0  0  2  0  0  0  0  0  0
   -0.6796   -3.8415   -2.9827 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0663    0.3459    1.9246 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9151    5.9279    3.1377 C   0  0  0  0  0  1  0  0  0  0  0  0
  1  2  1  0
  1 26  2  0
  1 27  1  0
  2  3  2  0
  3  5  1  0
  4  6  1  0
  4 27  1  0
  5 27  1  0
  5 28  2  0
  6  8  1  0
  7  9  2  0
  7 10  1  0
  8 11  1  0
  9 13  1  0
 10 12  2  0
 11 14  1  0
 12 16  1  0
 13 15  1  0
 13 16  2  0
 14 17  1  0
 17 33  2  0
 17 34  1  0
 18 22  1  0
 18 34  1  0
 19 23  1  0
 19 29  2  0
 19 35  1  0
 20 15  1  0
 20 24  1  0
 20 35  1  0
 21 25  1  0
 21 30  2  0
 21 36  1  0
 22 31  1  0
 22 37  2  0
 23 31  1  0
 24 32  1  0
 24 38  2  0
 25 32  1  0
 36 39  1  0
M  RAD  8   2   2   3   2   4   3   6   3   7   2   8   3   9   2  10   2
M  RAD  8  11   3  12   2  14   3  15   3  16   2  18   3  20   2  23   3
M  RAD  7  25   3  31   2  32   2  34   2  35   2  36   2  39   2
M  END
$$$$
