cxy0236
     RDKit          3D

 76 82  0  0  1  0  0  0  0  0999 V2000
  -11.7681   -3.9724    0.8761 C   0  0  0  0  0  1  0  0  0  0  0  0
  -10.8279   -0.4744   -4.8619 C   0  0  0  0  0  1  0  0  0  0  0  0
   -9.8924   -1.7579   -1.2827 C   0  0  0  0  0  3  0  0  0  0  0  0
  -10.0222   -2.3782    1.2749 C   0  0  0  0  0  3  0  0  0  0  0  0
   -9.8696   -0.2876   -3.6740 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9336   -2.0982   -0.1343 C   0  0  0  0  0  3  0  0  0  0  0  0
   -9.9116   -1.0789   -2.6500 C   0  0  0  0  0  3  0  0  0  0  0  0
   -7.7728    0.1182    1.2815 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2539   -1.5649    2.3012 C   0  0  1  0  0  0  0  0  0  0  0  0
   -9.1241    0.9049   -3.5530 C   0  0  0  0  0  2  0  0  0  0  0  0
   -4.6431    3.1749   -0.0360 C   0  0  0  0  0  1  0  0  0  0  0  0
   -7.9996   -2.1596    2.6255 C   0  0  0  0  0  2  0  0  0  0  0  0
   -7.1459    1.6825   -2.4112 C   0  0  0  0  0  3  0  0  0  0  0  0
   -8.2661    1.9678   -3.1694 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7102   -1.5467    2.7154 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.2733    2.6606   -1.9136 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5518    3.2792   -3.4947 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.9568    0.3250   -0.0285 C   0  0  0  0  0  2  0  0  0  0  0  0
   -4.8614    0.8180   -1.0719 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0757   -0.2515    0.9188 C   0  0  0  0  0  3  0  0  0  0  0  0
   -5.5769   -2.5431    2.6253 C   0  0  0  0  0  3  0  0  0  0  0  0
   -6.5473    3.9962   -2.2964 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7009    4.2956   -3.0653 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4753   -3.9676    3.3142 C   0  0  0  0  0  1  0  0  0  0  0  0
   -3.6671   -0.8792    2.1561 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.4169   -2.1051    1.8882 C   0  0  0  0  0  3  0  0  0  0  0  0
   -9.1879    5.9650   -3.8177 C   0  0  0  0  0  1  0  0  0  0  0  0
   -3.7484   -0.0317    3.4829 C   0  0  0  0  0  1  0  0  0  0  0  0
   -0.8303   -0.9412    1.2587 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1580   -1.8985    0.6631 C   0  0  0  0  0  3  0  0  0  0  0  0
   15.4017    2.6436   -1.1964 C   0  0  0  0  0  2  0  0  0  0  0  0
   14.5152    1.6069   -0.7834 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1124   -0.6014    2.3779 C   0  0  0  0  0  2  0  0  0  0  0  0
    1.6759   -1.9706    2.5861 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0677   -4.1128    1.2806 C   0  0  0  0  0  1  0  0  0  0  0  0
   15.7813    2.3476   -2.5222 C   0  0  0  0  0  3  0  0  0  0  0  0
    2.8170    0.7410    2.1251 C   0  0  0  0  0  2  0  0  0  0  0  0
    0.0683   -2.2888   -0.8763 C   0  0  0  0  0  1  0  0  0  0  0  0
   12.3865   -0.4439   -2.6235 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9699   -1.1100   -2.4323 C   0  0  0  0  0  2  0  0  0  0  0  0
    5.2357    1.5238    2.1236 C   0  0  0  0  0  3  0  0  0  0  0  0
   14.9363    1.1655   -2.9361 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7773   -1.0493   -1.4393 C   0  0  0  0  0  2  0  0  0  0  0  0
   11.3526   -1.3303   -2.0392 C   0  0  0  0  0  3  0  0  0  0  0  0
    6.0407    0.9603    1.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7766    0.9740    3.2966 C   0  0  0  0  0  2  0  0  0  0  0  0
   11.3598   -1.7413   -0.6463 C   0  0  0  0  0  2  0  0  0  0  0  0
    8.7956   -1.2859   -0.0146 C   0  0  0  0  0  3  0  0  0  0  0  0
    6.8568    0.0876    2.9561 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1475   -1.6862    0.3424 C   0  0  0  0  0  2  0  0  0  0  0  0
    7.9069   -0.6217    0.8609 C   0  0  0  0  0  2  0  0  0  0  0  0
  -10.8235   -3.3936    1.7794 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9486   -0.2005    1.8517 N   0  0  0  0  0  2  0  0  0  0  0  0
   -7.6153    1.0446    0.4766 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9298   -1.4509    3.4178 O   0  0  0  0  0  1  0  0  0  0  0  0
   -6.6424   -0.6064    1.6159 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5989   -0.9671    3.6467 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2305    2.1889   -1.0169 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1017    0.0238   -1.9778 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4286    5.3180   -2.0530 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.8411   -0.6886    0.3729 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8808    5.6097   -3.4451 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2030   -2.2164    2.5159 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7472   -0.5041    2.3997 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5827    1.1097    0.3311 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9620   -2.6147    1.5561 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3050    0.0623   -3.7341 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6842    2.1659    1.8467 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.9022    1.2181   -0.1862 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0191    1.0247   -1.9185 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1129   -2.5314    3.5897 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3716   -0.2076   -1.7193 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1543    0.4391   -3.8997 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9931    0.0921    1.5790 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4963   -0.5352    3.7956 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.2794    2.5604   -2.8884 C   0  0  0  0  0  1  0  0  0  0  0  0
  1 52  1  0
  2  5  1  0
  3  6  2  0
  3  7  1  0
  4  6  1  0
  4  9  1  0
  4 52  1  0
  5  7  2  0
  5 10  1  0
  8 53  1  0
  8 54  2  0
  8 56  1  0
  9 12  1  0
  9 53  1  0
  9 55  1  1
 10 14  1  0
 11 58  1  0
 12 15  1  0
 13 14  1  0
 13 16  2  0
 14 17  2  0
 15 21  1  0
 15 56  1  0
 15 57  1  1
 16 22  1  0
 16 58  1  0
 17 23  1  0
 18 19  1  0
 18 20  1  0
 19 58  1  0
 19 59  2  0
 20 25  1  0
 20 61  1  0
 21 24  1  0
 21 26  1  0
 22 23  2  0
 22 60  1  0
 23 62  1  0
 25 26  1  0
 25 28  1  1
 25 63  1  0
 26 63  1  0
 27 62  1  0
 29 30  1  0
 29 61  1  0
 29 64  2  0
 30 38  1  0
 31 32  1  0
 31 36  1  0
 32 65  2  0
 32 70  1  0
 33 34  1  0
 33 37  1  0
 34 66  1  0
 34 71  2  0
 35 66  1  0
 36 42  1  0
 37 68  1  0
 39 44  1  0
 39 67  2  0
 39 72  1  0
 40 43  1  0
 40 44  1  0
 41 45  1  0
 41 46  1  0
 41 68  1  0
 42 70  1  0
 42 73  2  0
 43 48  1  0
 44 47  1  0
 45 69  2  0
 45 74  1  0
 46 49  1  0
 47 50  1  0
 48 50  1  0
 48 51  1  0
 49 74  1  0
 49 75  2  0
 51 74  1  0
 66 30  1  0
 70 72  1  0
 76 36  1  0
M  RAD  8   1   2   2   2   3   2   4   2   6   2   7   2  10   3  11   2
M  RAD  8  12   3  13   2  17   2  18   3  20   2  21   2  24   2  26   2
M  RAD  8  27   2  28   2  30   2  31   3  33   3  35   2  36   2  37   3
M  RAD  8  38   2  40   3  41   2  43   3  44   2  46   3  47   3  48   2
M  RAD  5  50   3  51   3  53   2  55   2  76   2
M  END
$$$$
