cxylin0014
     RDKit          3D

 35 36  0  0  1  0  0  0  0  0999 V2000
    4.2862    0.9720    2.1482 C   0  0  0  0  0  2  0  0  0  0  0  0
    4.8726    1.4952    0.9406 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6480   -0.4827    2.1717 C   0  0  0  0  0  2  0  0  0  0  0  0
    2.4907   -0.2505   -2.1790 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2639   -1.0258   -1.5308 C   0  0  0  0  0  2  0  0  0  0  0  0
   -5.5551   -2.3458    2.4313 C   0  0  0  0  0  2  0  0  0  0  0  0
    5.9927    0.5614   -2.5868 C   0  0  0  0  0  2  0  0  0  0  0  0
   -3.4197   -1.7265    1.3101 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4239   -0.7025    0.9783 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4994   -3.0607    3.4840 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8927    0.5498   -1.0559 C   0  0  0  0  0  2  0  0  0  0  0  0
    5.7149    0.5014   -4.0052 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4466   -0.0013   -3.2902 C   0  0  0  0  0  2  0  0  0  0  0  0
   -0.8199   -1.4844   -0.6049 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7911   -0.5710    0.4754 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.4477    0.7091    0.5219 C   0  0  0  0  0  2  0  0  0  0  0  0
   -3.4918    3.0453    1.2117 C   0  0  0  0  0  3  0  0  0  0  0  0
   -4.1119    1.9650    0.5884 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1546    4.2685    1.2991 C   0  0  0  0  0  3  0  0  0  0  0  0
   -5.3843    2.1054    0.0431 C   0  0  0  0  0  3  0  0  0  0  0  0
   -5.4319    4.4106    0.7565 C   0  0  0  0  0  3  0  0  0  0  0  0
   -6.0467    3.3297    0.1286 C   0  0  0  0  0  3  0  0  0  0  0  0
    5.0075    2.7048    0.7849 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9219   -0.0580   -1.0425 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7363   -2.5871    1.8616 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6367   -0.4874   -0.2489 N   0  0  0  0  0  2  0  0  0  0  0  0
    4.4532    0.2591   -4.3859 N   0  0  0  0  0  2  0  0  0  0  0  0
    5.4259    0.4530    0.2096 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2801   -0.6488   -2.5922 N   0  0  0  0  0  2  0  0  0  0  0  0
   -4.7689   -1.5711    1.3865 N   0  0  0  0  0  2  0  0  0  0  0  0
    6.1120   -1.7084    0.8579 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8398   -2.6854   -0.3610 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2040   -4.0470    3.0790 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6699    0.6819   -4.7610 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5627   -2.5677    4.6616 O   0  0  0  0  0  1  0  0  0  0  0  0
  1  2  1  0
  1  3  1  0
  2 23  2  0
  2 28  1  0
  3  9  1  0
  4 13  1  0
  4 24  2  0
  4 29  1  0
  5 14  1  0
  5 29  1  0
  6 10  1  0
  6 30  1  0
  7 11  1  0
  7 12  1  0
  8 15  1  0
  8 25  2  0
  8 30  1  0
  9 28  1  0
  9 31  2  0
 10 33  2  0
 10 35  1  0
 11 28  1  0
 12 27  1  0
 12 34  2  0
 13 27  1  0
 14 26  1  0
 14 32  2  0
 15 16  1  0
 15 26  1  0
 16 18  1  0
 17 18  2  0
 17 19  1  0
 18 20  1  0
 19 21  2  0
 20 22  2  0
 21 22  1  0
M  RAD  8   1   3   3   3   5   3   6   3   7   3  11   3  13   3  15   2
M  RAD  8  16   3  17   2  19   2  20   2  21   2  22   2  26   2  27   2
M  RAD  3  29   2  30   2  35   2
M  END
$$$$
