cxy0008
     RDKit          3D

 85 92  0  0  1  0  0  0  0  0999 V2000
    3.7577    0.1146    7.9880 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.1987    1.3072    8.6057 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.4059   -0.4098    6.8669 C   0  0  0  0  0  3  0  0  0  0  0  0
    5.3300    1.9610    8.0942 C   0  0  0  0  0  3  0  0  0  0  0  0
    6.0222    1.3833    7.0258 C   0  0  0  0  0  3  0  0  0  0  0  0
    6.3063   -0.3480    5.3295 C   0  0  0  0  0  2  0  0  0  0  0  0
    8.8730    1.7357    0.3748 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3819    0.9477   -1.4384 C   0  0  0  0  0  2  0  0  0  0  0  0
    6.1112   -3.0054    4.3650 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1404   -0.9699    4.3325 C   0  0  0  0  0  3  0  0  0  0  0  0
    5.9254   -0.5875   -3.6616 C   0  0  0  0  0  2  0  0  0  0  0  0
   -3.8355   -3.8915    5.5912 C   0  0  0  0  0  2  0  0  0  0  0  0
   -1.6945   -3.6775    6.2861 C   0  0  0  0  0  2  0  0  0  0  0  0
    0.7323   -3.1210    7.9255 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7238   -4.3896    7.7545 C   0  0  0  0  0  2  0  0  0  0  0  0
   -9.3645    0.5152    2.3943 C   0  0  0  0  0  2  0  0  0  0  0  0
   -7.7318   -0.3420    4.6860 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0600   -2.3546    5.7107 C   0  0  0  0  0  2  0  0  0  0  0  0
   -9.8090    0.2445   -0.0168 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2637   -1.3319   -4.7272 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8634   -4.7430    6.8412 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1158    0.0031    3.5538 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8116    0.5887    1.3091 C   0  0  0  0  0  2  0  0  0  0  0  0
    6.7328    0.1056   -2.5358 C   0  0  0  0  0  2  0  0  0  0  0  0
   -5.3146   -4.3593    5.6394 C   0  0  0  0  0  2  0  0  0  0  0  0
   -0.4758   -3.6129    7.2410 C   0  0  0  0  0  2  0  0  0  0  0  0
    5.5793   -3.5440    5.6799 C   0  0  0  0  0  2  0  0  0  0  0  0
   -8.7141    0.0352    3.6738 C   0  0  0  0  0  2  0  0  0  0  0  0
   -7.4088   -3.7678    5.7182 C   0  0  0  0  0  2  0  0  0  0  0  0
   -9.4956    1.1206   -1.1991 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.9984   -1.7322   -7.1589 C   0  0  0  0  0  2  0  0  0  0  0  0
   -9.0511    2.2541    0.7311 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9481    2.3046   -0.6971 C   0  0  0  0  0  2  0  0  0  0  0  0
    3.4069   -1.0424   -6.0721 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.3304   -2.8171   -7.9096 C   0  0  0  0  0  2  0  0  0  0  0  0
    1.9309   -3.0508   -7.7740 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9035   -1.0149   -6.1821 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9981   -5.2126   -9.2076 C   0  0  0  0  0  1  0  0  0  0  0  0
    1.2334    0.9506   -4.5848 C   0  0  0  0  0  2  0  0  0  0  0  0
    1.2476   -2.0242   -7.0057 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2895   -4.0988   -8.3841 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0874   -0.1179   -5.5178 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2367    2.7805   -3.5393 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1023   -4.0592   -8.3644 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1638   -2.0057   -7.0835 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2927   -0.1521   -5.7422 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9181    0.9374   -4.9859 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7897   -3.0283   -7.7593 C   0  0  0  0  0  3  0  0  0  0  0  0
   -1.6807    3.2317   -3.6518 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1874    4.4459   -3.1705 C   0  0  0  0  0  2  0  0  0  0  0  0
   -2.1149    1.4315   -4.9783 C   0  0  0  0  0  3  0  0  0  0  0  0
   -2.6491    2.5857   -4.3554 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0978    3.1418   -4.4354 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.3460    4.6274   -3.7497 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5285    0.2260    6.3840 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9605   -1.9055    7.9155 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5137   -3.3517    3.3678 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7960    2.5512    0.5096 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5471   -0.1714    4.3743 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4699   -0.7843   -0.0798 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9786   -4.0267    6.9750 N   0  0  0  0  0  2  0  0  0  0  0  0
    8.6859   -0.4618    2.4038 N   0  0  0  0  0  2  0  0  0  0  0  0
    5.9264   -2.1265   -5.4085 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5905   -4.8291    5.7019 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8004    1.9844   -0.4274 N   0  0  0  0  0  2  0  0  0  0  0  0
    1.4778   -4.0575    8.5194 N   0  0  0  0  0  2  0  0  0  0  0  0
    7.2725   -2.3217    4.3347 N   0  0  0  0  0  2  0  0  0  0  0  0
   -9.4382    0.9984    1.1132 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2363   -0.8429    5.8224 N   0  0  0  0  0  2  0  0  0  0  0  0
   -2.5676   -3.4779    5.3391 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9722   -1.0272   -4.8305 N   0  0  0  0  0  2  0  0  0  0  0  0
    3.6693   -5.6893    6.0719 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1929    1.1523    3.9819 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0255    3.2912    1.3895 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5873    3.4543   -2.9031 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0713    1.6229   -4.2901 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8432   -4.9700   -9.0071 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9284   -1.0588   -6.5115 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2410    5.2586   -3.2241 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4432    3.2342   -5.7261 O   0  0  0  0  0  1  0  0  0  0  0  0
   -5.4275    5.2437   -3.7585 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5495    0.5465   -2.7914 S   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0113    2.1909   -3.7403 C   0  0  0  0  0  2  0  0  0  0  0  0
   -5.9391    1.2095   -3.0098 C   0  0  0  0  0  1  0  0  0  0  0  0
  -11.3375    0.7431   -3.0626 C   0  0  0  0  0  1  0  0  0  0  0  0
  1  2  2  0
  1  3  1  0
  2  4  1  0
  3 55  2  0
  4  5  2  0
  5 55  1  0
  6 10  1  0
  6 55  1  0
  7 23  1  0
  7 58  2  0
  7 65  1  0
  8 24  1  0
  8 65  1  0
  9 27  1  0
  9 57  2  0
  9 67  1  0
 10 22  1  0
 10 67  1  0
 11 20  1  0
 11 24  1  0
 12 25  1  0
 12 70  1  0
 13 26  1  0
 13 70  1  0
 14 26  1  0
 14 56  2  0
 14 66  1  0
 15 21  1  0
 15 66  1  0
 16 28  1  0
 16 68  1  0
 17 28  1  0
 17 59  2  0
 17 69  1  0
 18 29  1  0
 18 69  1  0
 19 30  1  0
 19 60  2  0
 19 68  1  0
 20 63  2  0
 20 71  1  0
 21 61  1  0
 21 72  2  0
 22 62  1  0
 22 73  2  0
 23 62  1  0
 25 64  1  0
 27 61  1  0
 29 64  1  0
 30 33  1  0
 30 82  1  0
 31 34  1  0
 31 35  1  0
 32 33  1  0
 32 68  1  0
 32 74  2  0
 34 37  1  0
 34 71  1  0
 35 36  1  0
 36 40  2  0
 36 41  1  0
 37 40  1  0
 37 42  2  0
 38 41  1  0
 39 42  1  0
 39 76  1  0
 40 45  1  0
 41 44  2  0
 42 46  1  0
 43 49  1  0
 43 75  2  0
 43 76  1  0
 44 48  1  0
 44 77  1  0
 45 48  2  0
 45 78  1  0
 46 47  1  0
 46 78  2  0
 47 51  2  0
 47 76  1  0
 49 50  1  0
 49 52  2  0
 50 79  1  0
 51 52  1  0
 52 53  1  0
 53 54  1  0
 53 80  1  6
 53 83  1  0
 54 79  1  0
 54 81  2  0
 82 85  1  0
 83 84  1  0
M  RAD  8   1   2   2   2   3   2   4   2   5   2   6   3   8   3  10   2
M  RAD  8  11   3  12   3  13   3  15   3  16   3  18   3  23   3  24   3
M  RAD  8  25   3  26   3  27   3  28   3  29   3  30   2  31   3  33   3
M  RAD  8  34   2  35   3  38   2  39   3  48   2  50   3  51   2  61   2
M  RAD  8  62   2  65   2  66   2  67   2  69   2  71   2  80   2  83   3
M  RAD  2  84   2  85   2
M  END
$$$$
