cxylin0549
     RDKit          3D

 41 42  0  0  1  0  0  0  0  0999 V2000
    0.8507   -4.5435    0.9956 C   0  0  0  0  0  1  0  0  0  0  0  0
    1.1628   -3.4977   -1.3484 C   0  0  0  0  0  1  0  0  0  0  0  0
   -6.0740   -0.2428    5.2584 C   0  0  0  0  0  3  0  0  0  0  0  0
   -8.5052   -0.5205    5.5177 C   0  0  0  0  0  2  0  0  0  0  0  0
    0.7594   -3.1689    0.1651 C   0  0  0  0  0  3  0  0  0  0  0  0
   -4.9097   -0.3155    4.4756 C   0  0  0  0  0  3  0  0  0  0  0  0
   -7.3090   -0.5789    4.7114 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1420   -1.8963    0.7734 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.5990   -1.3589    1.2519 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9099   -0.7374    3.1365 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3507   -0.9965    3.3856 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.6433    1.7845    0.5431 C   0  0  0  0  0  2  0  0  0  0  0  0
    2.7310   -0.6866    1.9474 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0771   -0.8105    0.7362 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2534   -1.0393    0.5417 C   0  0  0  0  0  3  0  0  0  0  0  0
   -6.1732   -1.0681    2.6219 C   0  0  0  0  0  3  0  0  0  0  0  0
    8.1272    3.4136   -0.9034 C   0  0  0  0  0  3  0  0  0  0  0  0
    5.9016    3.7006   -1.3291 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1427    3.0235   -0.2160 C   0  0  0  0  0  2  0  0  0  0  0  0
    3.1826    0.5111    1.2719 C   0  0  0  0  0  2  0  0  0  0  0  0
   -2.2687   -0.8955   -0.9001 C   0  0  0  0  0  2  0  0  0  0  0  0
    6.0864    3.2846   -2.6465 C   0  0  0  0  0  3  0  0  0  0  0  0
    8.3042    2.9723   -2.2068 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3474   -0.8040   -2.4703 C   0  0  0  0  0  2  0  0  0  0  0  0
    9.5703    2.5131   -2.6653 C   0  0  0  0  0  2  0  0  0  0  0  0
   -2.4172   -0.7770   -4.0432 C   0  0  0  0  0  2  0  0  0  0  0  0
   -3.6178   -0.7468   -6.0829 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4162   -2.0879    0.6727 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6752   -0.4614    6.3255 O   0  0  0  0  0  1  0  0  0  0  0  0
    2.8347   -0.7183    3.1737 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0874   -1.2511    1.2320 N   0  0  0  0  0  2  0  0  0  0  0  0
    6.9290    3.8359   -0.4462 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6464    4.0564   -0.8986 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4537   -1.7160    1.1524 N   0  0  0  0  0  2  0  0  0  0  0  0
   -3.7191   -0.7679    2.4640 N   0  0  0  0  0  2  0  0  0  0  0  0
    0.3564    0.3265    0.3530 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3125    2.9371   -3.1249 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4112   -0.8377   -5.5281 N   0  0  0  0  0  2  0  0  0  0  0  0
   -4.5240    0.0607   -5.9069 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8668   -1.7133   -7.1784 N   0  0  0  0  0  1  0  0  0  0  0  0
   11.2211    1.8184   -3.3209 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0
  2  5  1  0
  3  6  2  0
  3  7  1  0
  4  7  1  0
  4 29  1  0
  6 10  1  0
  7 11  2  0
  8  5  1  0
  8 14  1  0
  8 34  1  0
  9 15  1  0
  9 28  2  0
  9 35  1  0
 10 16  2  0
 10 35  1  0
 11 16  1  0
 12 19  1  0
 12 20  1  0
 13 20  1  0
 13 30  2  0
 13 34  1  0
 14 31  1  0
 14 36  2  0
 15 21  1  0
 15 31  1  0
 17 23  2  0
 17 32  1  0
 18 22  1  0
 18 32  2  0
 18 33  1  0
 19 33  1  0
 21 24  1  0
 22 37  2  0
 23 25  1  0
 23 37  1  0
 24 26  1  0
 25 41  1  0
 26 38  1  0
 27 38  1  0
 27 39  2  0
 27 40  1  0
M  RAD  8   1   2   2   2   3   2   4   3   5   2   6   2   8   2  11   2
M  RAD  8  12   3  15   2  16   2  17   2  19   3  20   3  21   3  22   2
M  RAD  8  24   3  25   3  26   3  29   2  31   2  34   2  35   2  38   2
M  RAD  1  40   3
M  END
$$$$
