cxy0022
     RDKit          3D

 77 84  0  0  1  0  0  0  0  0999 V2000
    3.8264    2.7293    3.0448 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.9056    4.1451    2.9757 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.0342    2.0196    1.8792 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.3007    2.6727    0.6776 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1579    1.8993   -0.5590 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0077    2.8461   -0.8721 C   0  0  0  0  0  2  0  0  0  0  0  0
   -4.0385    2.1433   -0.4262 C   0  0  0  0  0  2  0  0  0  0  0  0
    4.1387    4.7786    1.7449 C   0  0  0  0  0  3  0  0  0  0  0  0
   -5.0129    0.9934   -0.3607 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2468    1.0810   -1.2064 C   0  0  0  0  0  2  0  0  0  0  0  0
    4.3063    4.0461    0.5715 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.4392    1.8734   -0.4832 C   0  0  0  0  0  2  0  0  0  0  0  0
   -4.7951   -1.2462    1.5973 C   0  0  0  0  0  2  0  0  0  0  0  0
    4.5529    1.2014   -1.7326 C   0  0  0  0  0  3  0  0  0  0  0  0
   15.8298   -3.7076   -0.6114 C   0  0  0  0  0  2  0  0  0  0  0  0
   -4.6863   -2.7465    1.4599 C   0  0  0  0  0  2  0  0  0  0  0  0
    3.2843    0.7329   -2.5112 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8667   -0.4719    1.1107 C   0  0  0  0  0  3  0  0  0  0  0  0
   15.8425   -2.2500   -0.6971 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5029   -4.1570   -0.7595 C   0  0  0  0  0  3  0  0  0  0  0  0
   -4.4162   -5.7505    1.1082 C   0  0  0  0  0  1  0  0  0  0  0  0
   -7.0359   -1.2644    0.5844 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9392    1.8665   -1.9251 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7355   -3.5254    0.8741 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7691    0.6426    0.2298 C   0  0  0  0  0  2  0  0  0  0  0  0
   13.6961   -2.8962   -0.9892 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6478    1.3653   -0.6785 C   0  0  0  0  0  2  0  0  0  0  0  0
   -5.6270   -4.8732    0.6951 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9024   -2.7034    0.4765 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2360   -0.6633    0.2034 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1275   -0.5605   -1.0264 C   0  0  0  0  0  2  0  0  0  0  0  0
  -11.0170    1.7586   -0.1109 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7379   -5.4970    0.1116 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0117   -3.3871   -0.0736 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2592   -1.4751   -0.2538 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5309    0.8737   -0.7243 C   0  0  0  0  0  2  0  0  0  0  0  0
    9.3213    1.3128    2.7255 C   0  0  0  0  0  2  0  0  0  0  0  0
  -10.3951   -0.5952   -0.4558 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2498    1.4211    1.7003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8621   -4.7337   -0.2873 C   0  0  0  0  0  3  0  0  0  0  0  0
   12.8740    2.0170    0.0287 C   0  0  0  0  0  2  0  0  0  0  0  0
  -12.4159    1.3475   -0.4194 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.5353    2.1633   -0.3862 C   0  0  0  0  0  2  0  0  0  0  0  0
  -11.6249   -0.7816   -0.7699 C   0  0  0  0  0  3  0  0  0  0  0  0
  -12.7805    0.0636   -0.7161 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4802    3.0652    3.6180 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2142    2.7572    1.1511 C   0  0  0  0  0  2  0  0  0  0  0  0
   11.4749    3.0474    2.4682 C   0  0  0  0  0  2  0  0  0  0  0  0
  -14.2275   -0.3063   -1.0055 C   0  0  2  0  0  0  0  0  0  0  0  0
  -14.8071   -2.8593    0.5744 C   0  0  0  0  0  1  0  0  0  0  0  0
  -15.2627    0.8147   -0.5303 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.5360   -1.5773   -0.2954 C   0  0  0  0  0  2  0  0  0  0  0  0
    0.1999    2.1327    0.6761 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1281    0.2955   -1.3971 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7231    2.4481   -1.4403 N   0  0  0  0  0  2  0  0  0  0  0  0
   -3.2144    3.1962   -0.4761 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9293   -1.7005   -0.5571 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3447    0.2018   -1.7565 N   0  0  0  0  0  2  0  0  0  0  0  0
   -5.6779    0.8189    0.7924 N   0  0  0  0  0  2  0  0  0  0  0  0
    5.8274    1.2292   -2.4395 N   0  0  0  0  0  2  0  0  0  0  0  0
    3.2650    0.7424   -3.7534 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492   -1.8351   -0.9929 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8058    2.9138    0.2539 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5645    2.6947   -2.5804 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0594    0.7236   -0.1144 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.4727   -2.9483   -1.1691 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5891    1.0072    0.4543 N   0  0  0  0  0  2  0  0  0  0  0  0
   -6.6934   -6.8011   -0.2184 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.9263    1.8766    3.8908 N   0  0  0  0  0  2  0  0  0  0  0  0
   -9.1807   -2.8081   -0.3936 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1940    1.8785    2.1316 O   0  0  0  0  0  0  0  0  0  0  0  0
  -14.8327    2.1536   -0.4990 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3263    4.1396    4.2349 O   0  0  0  0  0  0  0  0  0  0  0  0
  -14.3878   -0.4340   -2.3033 O   0  0  0  0  0  1  0  0  0  0  0  0
  -16.4214    0.5665   -0.1844 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7928   -5.4095    0.1346 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.8212   -6.7321   -0.5535 C   0  0  0  0  0  1  0  0  0  0  0  0
  1  2  2  0
  1  3  1  0
  2  8  1  0
  3  4  2  0
  4 11  1  0
  4 12  1  0
  5 10  1  0
  5 53  2  0
  5 55  1  0
  6 55  1  0
  6 56  1  0
  7  9  1  0
  7 56  1  0
  8 11  2  0
  9 54  2  0
  9 59  1  0
 10 58  1  0
 13 16  1  0
 13 18  1  0
 14 12  1  0
 14 17  1  0
 14 60  1  0
 15 19  1  0
 15 20  1  0
 16 24  1  0
 17 58  1  0
 17 61  2  0
 18 22  1  0
 18 59  1  0
 19 57  2  0
 19 62  1  0
 20 26  1  0
 20 76  1  0
 21 28  1  0
 22 29  2  0
 22 30  1  0
 23 27  1  0
 23 60  1  0
 23 64  2  0
 24 28  2  0
 24 29  1  0
 25 30  1  0
 25 65  1  0
 26 62  1  0
 26 66  2  0
 27 67  1  0
 28 33  1  0
 29 34  1  0
 30 35  2  0
 31 36  1  0
 31 62  1  0
 32 42  1  0
 32 63  2  0
 32 65  1  0
 33 40  2  0
 33 68  1  0
 34 40  1  0
 34 70  2  0
 35 38  1  0
 35 70  1  0
 36 41  1  0
 37 39  1  0
 37 69  1  0
 38 44  2  0
 38 65  1  0
 39 67  1  0
 39 71  2  0
 41 47  1  0
 42 43  1  0
 42 45  2  0
 43 72  1  0
 44 45  1  0
 45 49  1  0
 46 48  1  0
 46 69  1  0
 46 73  2  0
 47 48  1  0
 49 51  1  0
 49 52  1  0
 49 74  1  6
 50 52  1  0
 51 72  1  0
 51 75  2  0
 76 77  1  0
M  RAD  8   1   2   2   2   3   2   6   3   7   3   8   2  10   3  11   2
M  RAD  8  12   3  13   3  14   2  15   3  16   3  18   2  20   2  21   2
M  RAD  8  25   3  27   3  31   3  36   3  37   3  40   2  41   3  43   3
M  RAD  8  44   2  47   3  48   3  50   2  52   3  55   2  58   2  59   2
M  RAD  5  60   2  67   2  69   2  74   2  77   2
M  END
$$$$
