cxypay0334
     RDKit          3D

 99106  0  0  1  0  0  0  0  0999 V2000
   22.9544    0.8852   -1.0974 C   0  0  0  0  0  1  0  0  0  0  0  0
   19.4671    0.0303   -1.8568 C   0  0  0  0  0  2  0  0  0  0  0  0
   21.0156    0.1083   -1.8968 C   0  0  0  0  0  2  0  0  0  0  0  0
   17.6207    0.7070   -2.6249 C   0  0  0  0  0  2  0  0  0  0  0  0
  -15.6651   -0.9596   -2.4263 C   0  0  0  0  0  1  0  0  0  0  0  0
   17.1555    1.6270   -3.7960 C   0  0  0  0  0  2  0  0  0  0  0  0
   14.4208   -2.6408   -1.8706 C   0  0  0  0  0  1  0  0  0  0  0  0
  -16.7223    0.8269   -0.4965 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9366    1.9246   -5.7737 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.2157   -0.0784    0.5809 C   0  0  0  0  0  3  0  0  0  0  0  0
   13.5165    0.5374   -3.6118 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.0851    0.4939   -2.0887 C   0  0  0  0  0  3  0  0  0  0  0  0
   14.0191    1.1250   -4.9148 C   0  0  0  0  0  3  0  0  0  0  0  0
   13.4650   -1.4469   -2.3562 C   0  0  0  0  0  3  0  0  0  0  0  0
  -13.7676    1.0197   -2.7085 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.1992   -0.8115    1.3305 C   0  0  0  0  0  3  0  0  0  0  0  0
  -11.3653    0.5083   -1.3987 C   0  0  0  0  0  3  0  0  0  0  0  0
   12.0987   -1.3118   -1.6353 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.3441   -0.6715    2.9010 C   0  0  0  0  0  1  0  0  0  0  0  0
   12.9624    1.7274   -5.7316 C   0  0  0  0  0  3  0  0  0  0  0  0
    9.5921    0.2283   -1.2625 C   0  0  0  0  0  3  0  0  0  0  0  0
  -11.8259   -0.2128   -2.5119 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7011    3.3031   -5.8001 C   0  0  0  0  0  1  0  0  0  0  0  0
    9.8369   -0.9810   -1.9411 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.0778   -1.9901    0.7599 C   0  0  0  0  0  1  0  0  0  0  0  0
  -10.2220    0.1131   -0.6771 C   0  0  0  0  0  3  0  0  0  0  0  0
   12.3101    0.9972   -6.9818 C   0  0  0  0  0  1  0  0  0  0  0  0
    8.3571    0.5108   -0.6749 C   0  0  0  0  0  3  0  0  0  0  0  0
  -11.0871   -1.3521   -2.8648 C   0  0  0  0  0  3  0  0  0  0  0  0
    8.7465   -1.8427   -2.0865 C   0  0  0  0  0  3  0  0  0  0  0  0
   -9.5396   -1.0341   -1.0440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9622   -1.7688   -2.1448 C   0  0  0  0  0  3  0  0  0  0  0  0
    7.3067   -0.4009   -0.7815 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4986   -1.5772   -1.5018 C   0  0  0  0  0  3  0  0  0  0  0  0
   -8.4420   -1.5044   -0.2529 C   0  0  0  0  0  2  0  0  0  0  0  0
    6.1286   -0.2356    0.0045 C   0  0  0  0  0  2  0  0  0  0  0  0
   -6.5453   -0.9637    0.8481 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8289   -0.2392    0.3890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3805    1.5870    1.3851 C   0  0  0  0  0  3  0  0  0  0  0  0
   -2.5280    1.3041   -0.9580 C   0  0  0  0  0  2  0  0  0  0  0  0
   -7.7440   -0.8061    2.9293 C   0  0  0  0  0  3  0  0  0  0  0  0
    1.0642   -0.7849   -0.1907 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.2884   -0.3608    2.7423 C   0  0  0  0  0  3  0  0  0  0  0  0
   -6.4598    1.1560    2.1630 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8018    2.8558    1.4720 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2219   -1.1622   -0.5923 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5847    0.2506   -1.5501 C   0  0  0  0  0  2  0  0  0  0  0  0
   -3.2918    2.3714   -0.1570 C   0  0  0  0  0  2  0  0  0  0  0  0
    1.5503   -0.9918    1.1228 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0544   -0.2486    3.1216 C   0  0  0  0  0  3  0  0  0  0  0  0
  -10.2366   -1.0322    3.3375 C   0  0  0  0  0  2  0  0  0  0  0  0
    3.2314   -1.4465    3.6628 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.2242   -1.6874    4.6730 C   0  0  0  0  0  2  0  0  0  0  0  0
   -6.9912    2.0691    3.0953 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2937    3.7353    2.4246 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0062   -1.9302    0.2610 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6647   -1.5923    2.0423 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3612    3.3281    3.2262 C   0  0  0  0  0  3  0  0  0  0  0  0
  -11.1285   -0.3018    4.1845 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2365    1.9673    3.9312 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5706   -2.0910    1.5687 C   0  0  0  0  0  3  0  0  0  0  0  0
    0.7953   -1.8459    3.4987 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6459   -2.3149    5.7997 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7555   -0.9735    5.4342 C   0  0  0  0  0  2  0  0  0  0  0  0
  -10.4587    0.9479    4.2766 C   0  0  0  0  0  2  0  0  0  0  0  0
    2.2838   -2.4117    5.3864 C   0  0  0  0  0  2  0  0  0  0  0  0
    4.3391   -3.5049    6.5200 C   0  0  0  0  0  2  0  0  0  0  0  0
   22.3341    0.0604   -2.0570 O   0  0  0  0  0  0  0  0  0  0  0  0
  -14.8278    0.0120    1.0887 N   0  0  0  0  0  1  0  0  0  0  0  0
  -17.9097    1.1656   -0.4574 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1619   -0.1849   -1.8154 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2596    0.8340   -5.4139 N   0  0  0  0  0  2  0  0  0  0  0  0
   12.7674    1.2329   -2.9351 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.8122    2.4125   -4.8159 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.9738    0.0407   -3.1923 N   0  0  0  0  0  2  0  0  0  0  0  0
   11.0420   -1.2796   -2.5052 N   0  0  0  0  0  2  0  0  0  0  0  0
  -15.8020    1.3552   -1.3065 N   0  0  0  0  0  2  0  0  0  0  0  0
   14.0512   -0.6441   -3.2859 N   0  0  0  0  0  2  0  0  0  0  0  0
   15.8865    2.5058   -6.8661 O   0  0  0  0  0  0  0  0  0  0  0  0
  -13.5243    2.2332   -2.7438 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0363   -1.4323   -0.3971 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4379   -1.9508    0.5045 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1150   -0.1254    0.8748 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4914   -0.8348    0.2258 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5616   -0.2008   -0.8175 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1551   -0.9559    4.0340 O   0  0  0  0  0  1  0  0  0  0  0  0
    3.1656    0.7883    3.2417 O   0  0  0  0  0  1  0  0  0  0  0  0
   -6.9639   -0.1769    1.9580 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6955   -0.7227   -1.8142 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7936    3.3002    0.6438 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8768   -0.5100    1.4330 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2393    1.0368    3.6667 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6627    4.9461    2.5326 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2296   -2.4017   -0.1019 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0064   -1.9366    4.1399 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4241    2.8710    4.7638 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2526   -2.1065    4.1086 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4290    5.9862    3.0956 C   0  0  0  0  0  1  0  0  0  0  0  0
   -2.1185   -3.7291   -0.6006 C   0  0  0  0  0  1  0  0  0  0  0  0
  1 68  1  0
  2  3  1  0
  2 71  1  0
  3 68  1  0
  4  6  1  0
  4 71  1  0
  6 74  1  0
  8 10  1  0
  8 70  2  0
  8 77  1  0
  9 72  1  0
  9 74  1  0
  9 79  2  0
 10 69  1  0
 11 73  2  0
 11 78  1  0
 12  5  1  0
 12 15  1  0
 12 77  1  0
 13 11  1  0
 13 20  1  0
 13 72  1  0
 14  7  1  0
 14 18  1  0
 14 78  1  0
 15 75  1  0
 15 80  2  0
 16 10  1  0
 16 19  1  0
 16 25  1  0
 17 22  2  0
 17 26  1  0
 18 76  1  0
 18 81  2  0
 20 23  1  0
 20 27  1  0
 21 24  2  0
 21 28  1  0
 22 29  1  0
 22 75  1  0
 24 30  1  0
 24 76  1  0
 26 31  2  0
 28 33  2  0
 29 32  2  0
 30 34  2  0
 31 32  1  0
 31 35  1  0
 33 34  1  0
 33 36  1  0
 35 82  1  0
 36 83  1  0
 37 82  1  0
 37 84  2  0
 37 88  1  0
 38 83  1  0
 38 85  2  0
 38 91  1  0
 39 44  2  0
 39 45  1  0
 40 47  1  0
 40 48  1  0
 41 50  1  0
 41 86  1  0
 41 88  1  0
 42 46  2  0
 42 49  1  0
 43 52  1  0
 43 87  1  0
 43 91  1  0
 44 54  1  0
 44 88  1  0
 45 55  2  0
 45 90  1  0
 46 56  1  0
 46 89  1  0
 47 89  1  0
 48 90  1  0
 49 57  2  0
 49 91  1  0
 50 51  1  0
 50 92  1  0
 51 59  1  0
 52 53  1  0
 52 95  1  0
 53 63  1  0
 54 58  2  0
 54 60  1  0
 55 58  1  0
 55 93  1  0
 56 61  2  0
 56 94  1  0
 57 61  1  0
 57 62  1  0
 59 64  2  0
 59 65  1  0
 60 92  1  0
 60 96  2  0
 62 95  1  0
 62 97  2  0
 63 66  1  0
 63 67  2  0
 65 92  1  0
 66 95  1  0
 93 98  1  0
 94 99  1  0
M  RAD  8   1   2   2   3   3   3   4   3   5   2   6   3   7   2  10   2
M  RAD  8  12   2  13   2  14   2  16   2  17   2  19   2  20   2  21   2
M  RAD  8  23   2  25   2  26   2  27   2  28   2  29   2  30   2  32   2
M  RAD  8  34   2  35   3  36   3  39   2  40   3  41   2  42   2  43   2
M  RAD  8  47   3  48   3  50   2  51   3  52   2  53   3  58   2  61   2
M  RAD  8  64   3  65   3  66   3  67   3  69   3  72   2  75   2  76   2
M  RAD  6  77   2  78   2  86   2  87   2  98   2  99   2
M  END
$$$$
