cxylin0300
     RDKit          3D

 29 28  0  0  1  0  0  0  0  0999 V2000
    9.4658   -1.8665   -1.7796 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2864   -1.3540   -0.9128 C   0  0  0  0  0  2  0  0  0  0  0  0
    2.7177   -0.1766    0.1811 C   0  0  0  0  0  2  0  0  0  0  0  0
    0.7500    0.4691    0.8019 C   0  0  0  0  0  2  0  0  0  0  0  0
   -0.6157    2.8321    2.0425 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4814    0.1956    2.0709 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8078    1.7767    1.8527 C   0  0  0  0  0  2  0  0  0  0  0  0
    6.2650   -0.2989   -0.4141 C   0  0  0  0  0  2  0  0  0  0  0  0
    4.2101    0.2372    0.0783 C   0  0  0  0  0  2  0  0  0  0  0  0
   -0.0300    1.6503    1.4330 C   0  0  0  0  0  2  0  0  0  0  0  0
   -6.0498    0.1696    1.4106 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.7347    0.7208    1.4036 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9767   -0.4609    0.1283 C   0  0  0  0  0  2  0  0  0  0  0  0
   -5.9140   -1.1388   -1.2531 C   0  0  0  0  0  2  0  0  0  0  0  0
   -5.8505   -1.8133   -2.6350 C   0  0  0  0  0  2  0  0  0  0  0  0
   -5.7901   -2.4862   -4.0184 C   0  0  0  0  0  2  0  0  0  0  0  0
   10.4082   -2.5587   -2.1580 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9621    0.8183    1.9486 N   0  0  0  0  0  2  0  0  0  0  0  0
   -8.4705    0.2046    1.2591 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1807    3.7380    2.2951 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4663    0.6718    0.0221 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5585    0.1495    3.3393 O   0  0  0  0  0  1  0  0  0  0  0  0
    8.2823   -2.3386   -1.3761 N   0  0  0  0  0  2  0  0  0  0  0  0
    1.4383   -0.5378    0.2646 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9222    2.8870    2.3120 N   0  0  0  0  0  2  0  0  0  0  0  0
   -3.2654   -0.1142    0.6317 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7373   -3.1262   -5.3323 N   0  0  0  0  0  1  0  0  0  0  0  0
    9.6904   -0.4316   -1.7866 C   0  0  0  0  0  2  0  0  0  0  0  0
   10.0056    1.4535   -1.8092 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1 17  2  0
  1 23  1  0
  1 28  1  0
  2  8  1  0
  2 23  1  0
  3  9  1  0
  3 24  1  0
  4 10  1  0
  4 24  1  0
  5 10  1  0
  5 20  2  0
  5 25  1  0
  6 11  1  0
  6 19  2  0
  6 22  1  0
  7 12  1  0
  7 25  1  0
  8 21  1  0
  9 21  1  0
 11 13  1  0
 11 18  1  0
 12 18  1  0
 12 26  2  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 27  1  0
 28 29  1  0
M  RAD  8   2   3   3   3   4   3   7   3   8   3   9   3  10   3  11   2
M  RAD  8  13   3  14   3  15   3  16   3  18   2  22   2  23   2  25   2
M  RAD  2  27   3  28   3
M  END
$$$$
