cxy0485
     RDKit          3D

 95102  0  0  1  0  0  0  0  0999 V2000
  -14.9965    1.9040   -6.5199 C   0  0  0  0  0  1  0  0  0  0  0  0
  -13.6821    1.4893   -4.6028 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.8234    1.2342   -3.8373 C   0  0  0  0  0  3  0  0  0  0  0  0
  -12.4028    1.2857   -4.0423 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.7087    0.7515   -2.5416 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.8804    0.5020   -1.7703 C   0  0  0  0  0  2  0  0  0  0  0  0
  -12.2787    0.8351   -2.7050 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.0078    0.2337   -0.9509 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.4140    0.4256   -1.5451 C   0  0  0  0  0  1  0  0  0  0  0  0
  -13.4539    0.5452   -1.9901 C   0  0  0  0  0  3  0  0  0  0  0  0
  -10.9413   -0.4111   -1.0810 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.8349    0.0200    0.3082 C   0  0  0  0  0  3  0  0  0  0  0  0
   15.7451    3.9859   -0.0642 C   0  0  0  0  0  3  0  0  0  0  0  0
   -4.7703   -0.0673   -2.4844 C   0  0  0  0  0  1  0  0  0  0  0  0
   -9.7977   -0.4112   -0.1924 C   0  0  0  0  0  2  0  0  0  0  0  0
   16.2176    2.8811   -0.7653 C   0  0  0  0  0  3  0  0  0  0  0  0
  -10.0348    1.7722   -2.1604 C   0  0  0  0  0  1  0  0  0  0  0  0
  -16.5330   -0.2230    1.7881 C   0  0  0  0  0  3  0  0  0  0  0  0
   15.8654    4.0235    1.3228 C   0  0  0  0  0  3  0  0  0  0  0  0
   17.3009    0.7045   -0.8101 C   0  0  0  0  0  2  0  0  0  0  0  0
   16.8089    1.8213   -0.0830 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6250   -0.8578   -2.6719 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7774    0.9318   -4.1663 C   0  0  0  0  0  2  0  0  0  0  0  0
   12.1217   -0.2933   -4.4970 C   0  0  0  0  0  2  0  0  0  0  0  0
   10.3688   -0.6635   -3.2975 C   0  0  0  0  0  2  0  0  0  0  0  0
    5.8172   -0.2259   -2.3229 C   0  0  0  0  0  2  0  0  0  0  0  0
    3.7061   -0.1861   -1.8824 C   0  0  0  0  0  2  0  0  0  0  0  0
    0.4789    0.1257    2.0751 C   0  0  0  0  0  2  0  0  0  0  0  0
   -2.1344   -0.2071    3.6723 C   0  0  0  0  0  2  0  0  0  0  0  0
  -16.2540   -0.3775    2.9419 C   0  0  0  0  0  3  0  0  0  0  0  0
   -4.6866   -2.0677    0.8181 C   0  0  0  0  0  2  0  0  0  0  0  0
   -6.4242    0.3257    0.7872 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6870   -0.4051    0.7046 C   0  0  0  0  0  3  0  0  0  0  0  0
  -17.8517   -1.7703    4.7369 C   0  0  0  0  0  1  0  0  0  0  0  0
   16.6609   -0.1057   -3.4440 C   0  0  0  0  0  2  0  0  0  0  0  0
   15.1008    2.0704   -4.7588 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1109    0.7965   -4.9698 C   0  0  0  0  0  2  0  0  0  0  0  0
    9.3266   -0.0168   -2.3435 C   0  0  0  0  0  2  0  0  0  0  0  0
    7.2319    0.1783   -1.8774 C   0  0  0  0  0  2  0  0  0  0  0  0
    2.5875    0.1786   -0.8854 C   0  0  0  0  0  2  0  0  0  0  0  0
    1.7098    0.1658    1.2938 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8201   -0.0216    2.9042 C   0  0  0  0  0  2  0  0  0  0  0  0
   -4.8963   -1.8230   -0.5935 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3640   -2.2839    2.3019 C   0  0  0  0  0  2  0  0  0  0  0  0
   -5.2622    0.5364   -0.1374 C   0  0  0  0  0  3  0  0  0  0  0  0
   16.4582    2.9556    2.0057 C   0  0  0  0  0  3  0  0  0  0  0  0
   -8.8791   -1.0837    2.0358 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.9465    1.8399    1.3130 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.8776   -0.5099    4.3195 C   0  0  0  0  0  3  0  0  0  0  0  0
   19.1395   -0.7417   -0.7205 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.4450   -0.7361    4.4250 C   0  0  0  0  0  2  0  0  0  0  0  0
   -4.7414    2.0202   -0.3203 C   0  0  0  0  0  1  0  0  0  0  0  0
  -14.5711    0.0624    4.8402 C   0  0  2  0  0  0  0  0  0  0  0  0
   20.2043   -1.1763   -1.5289 C   0  0  0  0  0  3  0  0  0  0  0  0
  -10.0575   -0.5502    2.6911 C   0  0  0  0  0  3  0  0  0  0  0  0
  -14.5743    0.1464    6.1557 O   0  0  0  0  0  1  0  0  0  0  0  0
   17.4831    0.6938    2.0702 C   0  0  0  0  0  3  0  0  0  0  0  0
   19.3739   -0.5925    0.6650 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3605   -0.3914    1.7143 C   0  0  0  0  0  3  0  0  0  0  0  0
  -12.3547   -0.4370    3.6089 C   0  0  0  0  0  3  0  0  0  0  0  0
   21.4877   -1.3800   -1.0381 C   0  0  0  0  0  3  0  0  0  0  0  0
  -11.1319   -1.1781    3.3966 C   0  0  0  0  0  3  0  0  0  0  0  0
   20.6869   -0.7564    1.1324 C   0  0  0  0  0  3  0  0  0  0  0  0
   21.7344   -1.1456    0.2982 C   0  0  0  0  0  3  0  0  0  0  0  0
  -13.5420    1.6790    3.2892 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0752   -2.7410    3.6748 C   0  0  0  0  0  1  0  0  0  0  0  0
  -13.7274    1.9320   -5.9071 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0207    1.4437   -5.1118 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  -11.6941   -1.3790   -1.0213 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0427    0.6794   -1.9821 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.1298   -1.8487   -3.1963 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5084    0.7213    1.9391 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9907    1.8620   -5.4697 N   0  0  0  0  0  2  0  0  0  0  0  0
    1.4846    0.4831    0.0206 N   0  0  0  0  0  2  0  0  0  0  0  0
    8.4512    0.5443   -1.5155 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9066   -2.4535    3.9164 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9317   -0.4852   -1.0325 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.9187   -0.3477   -1.3868 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2644   -1.2295   -4.1014 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6148   -0.5851   -2.7712 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6200   -0.4872    4.4191 S   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4280   -0.2707    0.0641 O   0  0  0  0  0  0  0  0  0  0  0  0
  -16.6597   -1.1927    5.2381 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8532   -0.3691    3.3061 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6561    3.1569   -4.6121 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7630   -0.0833    1.8716 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9575   -2.8105   -1.3209 O   0  0  0  0  0  0  0  0  0  0  0  0
  -14.3545    1.4297    4.3445 N   0  0  0  0  0  2  0  0  0  0  0  0
  -12.4711    0.8184    2.9820 O   0  0  0  0  0  0  0  0  0  0  0  0
  -13.6338    2.6920    2.5743 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1262   -2.4712    2.2303 C   0  0  0  0  0  1  0  0  0  0  0  0
   18.2206   -1.2366    2.7902 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.9782    0.4002    3.3215 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.3870   -0.7192    3.7220 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.8305   -2.5418    2.9997 C   0  0  0  0  0  1  0  0  0  0  0  0
  1 67  1  0
  2  3  2  0
  2  4  1  0
  2 67  1  0
  3  5  1  0
  4  7  2  0
  4 68  1  0
  5  6  1  0
  5 10  2  0
  6  8  1  0
  7 10  1  0
  7 70  1  0
  8  9  1  0
  8 12  2  0
 11 15  1  0
 11 69  2  0
 11 70  1  0
 12 18  1  0
 13 16  2  0
 13 19  1  0
 14 77  1  0
 15 33  1  0
 16 21  1  0
 17 70  1  0
 18 30  2  0
 19 46  2  0
 20 21  1  0
 20 78  1  0
 21 48  2  0
 22 35  1  0
 22 71  2  0
 22 78  1  0
 23 35  1  0
 23 36  1  0
 24 37  1  0
 24 79  1  0
 25 38  1  0
 25 79  1  0
 26 39  1  0
 26 80  1  0
 27 40  1  0
 27 80  1  0
 28 41  1  0
 28 42  1  0
 29 42  1  0
 29 81  1  0
 30 49  1  0
 31 43  1  0
 31 44  1  0
 32 45  1  0
 32 72  2  0
 32 82  1  0
 33 47  1  0
 33 82  1  0
 34 83  1  0
 36 73  1  0
 36 85  2  0
 37 73  1  0
 38 75  1  0
 39 75  1  0
 40 74  1  0
 41 74  1  0
 41 86  2  0
 43 77  1  0
 43 87  2  0
 44 76  1  0
 45 52  1  0
 45 77  1  0
 46 48  1  0
 47 55  1  0
 47 84  1  0
 47 91  1  1
 48 57  1  0
 49 53  1  0
 49 83  1  0
 50 54  2  0
 50 58  1  0
 50 78  1  0
 51 53  1  0
 53 56  1  1
 53 88  1  0
 54 61  1  0
 55 62  1  0
 55 84  1  0
 57 59  1  0
 57 93  1  0
 58 59  1  0
 58 63  2  0
 59 92  1  0
 60 51  1  0
 60 62  1  0
 60 89  1  0
 61 64  2  0
 62 66  1  0
 63 64  1  0
 65 88  1  0
 65 89  1  0
 65 90  2  0
 76 81  1  0
 92 94  1  0
 92 95  1  0
 94 93  2  0
M  RAD  8   1   2   3   2   6   3   9   2  10   2  12   2  13   2  14   2
M  RAD  8  15   3  16   2  17   2  18   2  19   2  20   3  23   3  24   3
M  RAD  8  25   3  26   3  27   3  28   3  29   3  30   2  31   3  33   2
M  RAD  8  34   2  35   3  37   3  38   3  39   3  40   3  42   3  44   3
M  RAD  8  45   2  46   2  49   2  51   3  52   2  54   2  55   2  56   2
M  RAD  8  57   2  59   2  60   2  61   2  62   2  63   2  64   2  66   2
M  RAD  5  73   2  74   2  88   2  91   2  95   2
M  END
$$$$
