cxy0146
     RDKit          3D

 98107  0  0  1  0  0  0  0  0999 V2000
    9.6934   -3.0193    6.6387 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6395   -1.7194    4.6432 C   0  0  0  0  0  2  0  0  0  0  0  0
    9.7018   -1.5536    3.0781 C   0  0  0  0  0  2  0  0  0  0  0  0
   -4.6986   -2.3035   -1.1711 C   0  0  0  0  0  1  0  0  0  0  0  0
    9.7663   -1.3086    1.5285 C   0  0  0  0  0  2  0  0  0  0  0  0
   -9.7406    2.5765   -1.3533 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8351   -0.9945    0.1010 C   0  0  0  0  0  3  0  0  0  0  0  0
  -12.6542    5.8294   -3.4261 C   0  0  0  0  0  3  0  0  0  0  0  0
  -10.8099    4.7604   -2.1555 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9116    0.4530   -0.2502 C   0  0  0  0  0  2  0  0  0  0  0  0
   -6.9925   -0.5868    0.9991 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2650    0.2401   -2.4648 C   0  0  0  0  0  2  0  0  0  0  0  0
    5.9692    1.3968    0.8988 C   0  0  0  0  0  3  0  0  0  0  0  0
   10.8140   -2.4929   -1.3539 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7043   -3.1310   -3.2288 C   0  0  0  0  0  2  0  0  0  0  0  0
   16.5971   -0.7459   -2.9845 C   0  0  0  0  0  2  0  0  0  0  0  0
   18.1508    1.6685   -1.9437 C   0  0  0  0  0  2  0  0  0  0  0  0
   18.8357    3.9842   -1.6114 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5994    3.6910   -1.1017 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8836    0.7497    0.0553 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1589   -3.1943   -1.5600 C   0  0  0  0  0  3  0  0  0  0  0  0
   13.6748   -4.1370   -3.0482 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.8836    6.4759   -3.4707 C   0  0  0  0  0  3  0  0  0  0  0  0
  -12.1587    5.3461   -2.2215 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7389    1.6659   -0.2516 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4946   -0.6489    0.6556 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.0550   -0.6944   -0.1119 C   0  0  0  0  0  2  0  0  0  0  0  0
   -3.9946    0.0192   -1.2304 C   0  0  0  0  0  3  0  0  0  0  0  0
   -1.7105    0.4033   -2.5370 C   0  0  0  0  0  2  0  0  0  0  0  0
    4.5854    1.3662    0.7009 C   0  0  0  0  0  3  0  0  0  0  0  0
    9.1081    0.2495   -0.4578 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6979   -1.9724   -3.2262 C   0  0  0  0  0  2  0  0  0  0  0  0
   17.3986    0.4970   -2.5651 C   0  0  0  0  0  2  0  0  0  0  0  0
   19.5835    4.6657   -0.6073 C   0  0  0  0  0  2  0  0  0  0  0  0
   -3.0226    0.0819   -0.1260 C   0  0  0  0  0  2  0  0  0  0  0  0
   12.8654   -3.5611   -0.3291 C   0  0  0  0  0  3  0  0  0  0  0  0
  -14.6080    6.6345   -2.2853 C   0  0  0  0  0  3  0  0  0  0  0  0
  -12.8684    5.5453   -1.0421 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3763    3.8452    0.1103 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5761    1.7917    0.9727 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3798   -0.2727    1.7645 C   0  0  0  0  0  2  0  0  0  0  0  0
    4.0609    0.6678   -0.3850 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3252    0.0985   -1.0530 C   0  0  0  0  0  3  0  0  0  0  0  0
   19.6259    2.4359   -0.1658 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0590    3.7663    0.3382 C   0  0  0  0  0  3  0  0  0  0  0  0
  -14.1176    6.1763   -1.0545 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4409    2.9118    1.1878 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9375    0.0423   -1.2726 C   0  0  0  0  0  3  0  0  0  0  0  0
  -12.1891    5.0918    0.1705 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4294    0.6728    2.0106 C   0  0  0  0  0  3  0  0  0  0  0  0
   -1.4864    0.2767   -0.3741 C   0  0  0  0  0  2  0  0  0  0  0  0
    0.6312    0.4607   -1.7166 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6336    0.5625   -0.5290 C   0  0  0  0  0  2  0  0  0  0  0  0
   12.7810   -5.0383    0.2612 C   0  0  0  0  0  1  0  0  0  0  0  0
   14.2306   -2.8984    0.1411 C   0  0  0  0  0  1  0  0  0  0  0  0
   21.0393    5.5533    2.0851 C   0  0  0  0  0  1  0  0  0  0  0  0
  -15.9279    7.1563    0.1055 C   0  0  0  0  0  1  0  0  0  0  0  0
  -12.1432   -0.9396    2.1146 C   0  0  0  0  0  3  0  0  0  0  0  0
  -11.7200   -2.1804    2.6806 C   0  0  0  0  0  2  0  0  0  0  0  0
  -11.3769   -3.3835    2.0486 C   0  0  0  0  0  3  0  0  0  0  0  0
  -12.3932   -2.1716    0.0234 C   0  0  0  0  0  3  0  0  0  0  0  0
  -11.7625   -3.3256    0.6583 C   0  0  0  0  0  3  0  0  0  0  0  0
  -10.2825   -5.2640    3.1211 C   0  0  0  0  0  2  0  0  0  0  0  0
   -9.7341   -6.5514    2.5912 C   0  0  0  0  0  2  0  0  0  0  0  0
  -11.6931   -5.4876    1.2625 C   0  0  0  0  0  3  0  0  0  0  0  0
  -11.1438   -6.8068    0.9143 C   0  0  0  0  0  3  0  0  0  0  0  0
  -11.4173   -8.6927   -0.4319 C   0  0  0  0  0  1  0  0  0  0  0  0
   10.3571   -4.0945    5.8852 N   0  0  0  0  0  1  0  0  0  0  0  0
    9.3680   -3.3639    7.7768 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5025   -1.8126    6.1045 N   0  0  0  0  0  2  0  0  0  0  0  0
   -9.0679    2.3935   -2.4376 O   0  0  0  0  0  1  0  0  0  0  0  0
   -9.9955    5.2219   -2.9500 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5183   -0.5721    2.1344 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7877   -2.9173   -1.8846 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.4337    4.5638   -2.5983 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1955    0.7582    0.4039 N   0  0  0  0  0  2  0  0  0  0  0  0
   12.4544   -3.6508   -2.8375 N   0  0  0  0  0  2  0  0  0  0  0  0
   -5.1470   -0.9107   -1.2529 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9653   -1.4520   -0.5122 N   0  0  0  0  0  2  0  0  0  0  0  0
   18.8047    2.6444   -1.2733 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8953   -1.8215    0.1913 O   0  0  0  0  0  1  0  0  0  0  0  0
   -0.7399    0.4175   -1.5378 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2941    0.4728   -0.5088 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4410    0.7876   -1.5189 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0132   -5.3159   -3.1783 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.0283    1.3807    0.2930 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.3497    3.8938    1.4572 S   0  0  0  0  0  0  0  0  0  0  0  0
  -14.7907    6.3099    0.1488 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.2149    5.9478    1.3571 N   0  0  0  0  0  2  0  0  0  0  0  0
  -12.2237    3.0817    2.1960 O   0  0  0  0  0  1  0  0  0  0  0  0
  -11.6143    0.2367    2.5987 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1761    0.5086   -2.8136 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.5933   -0.9980    0.7902 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5204   -4.7475    2.5792 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9533   -4.6269    0.1910 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0754   -7.4016    1.6448 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5719   -7.2918   -0.3113 O   0  0  0  0  0  0  0  0  0  0  0  0
  -13.4401   -2.3755   -1.1268 C   0  0  0  0  0  1  0  0  0  0  0  0
  1 68  1  0
  1 69  2  0
  1 70  1  0
  2  3  1  0
  2 70  1  0
  3  5  1  0
  4 78  1  0
  6 19  2  0
  6 25  1  0
  6 71  1  0
  7  5  1  0
  7 31  1  0
  7 79  1  0
  8 23  1  0
  8 24  2  0
  9 19  1  0
  9 24  1  0
  9 72  2  0
 10 25  1  0
 10 26  1  0
 11 27  1  0
 11 73  2  0
 12 28  1  0
 12 29  1  0
 13 20  2  0
 13 30  1  0
 14 21  1  0
 14 74  2  0
 14 79  1  0
 15 22  1  0
 15 32  1  0
 16 32  1  0
 16 33  1  0
 17 33  1  0
 17 80  1  0
 18 34  1  0
 18 75  2  0
 18 80  1  0
 19 39  1  0
 20 43  1  0
 20 76  1  0
 21 77  1  0
 22 77  1  0
 22 85  2  0
 23 37  2  0
 24 38  1  0
 25 40  2  0
 26 11  1  0
 26 41  1  0
 26 81  1  6
 27 78  1  0
 28 35  1  0
 28 78  1  0
 29 82  1  0
 30 42  2  0
 31 76  1  0
 31 84  2  0
 34 45  1  0
 35 51  1  0
 36 21  1  0
 36 54  1  0
 36 55  1  0
 37 46  1  0
 38 46  2  0
 38 49  1  0
 39 47  2  0
 39 49  1  0
 40 47  1  0
 40 50  1  0
 41 50  1  0
 42 48  1  0
 42 53  1  0
 43 48  2  0
 44 45  1  0
 44 80  1  0
 44 86  2  0
 45 87  1  0
 46 88  1  0
 47 90  1  0
 49 89  2  0
 50 91  1  0
 51 82  1  0
 52 82  1  0
 52 83  1  0
 52 92  2  0
 53 83  1  0
 56 87  1  0
 57 88  1  0
 58 59  1  0
 58 91  1  0
 58 93  1  0
 60 59  1  0
 60 62  1  0
 60 94  1  0
 61 62  1  0
 61 93  1  0
 61 98  1  0
 62 95  1  0
 63 64  1  0
 63 94  1  0
 64 96  1  0
 65 66  1  0
 65 94  1  0
 65 95  1  0
 66 96  1  0
 66 97  1  0
 67 97  1  0
M  RAD  8   2   3   3   3   4   2   5   3   7   2   8   2  10   3  12   3
M  RAD  8  13   2  15   3  16   3  17   3  21   2  23   2  27   3  28   2
M  RAD  8  29   3  30   2  32   3  33   3  34   3  35   3  36   2  37   2
M  RAD  8  41   3  43   2  45   2  48   2  50   2  51   3  53   3  54   2
M  RAD  8  55   2  56   2  57   2  58   2  59   3  60   2  61   2  62   2
M  RAD  8  63   3  64   3  65   2  66   2  67   2  68   3  70   2  71   2
M  RAD  7  76   2  77   2  79   2  81   2  89   2  90   2  98   2
M  END
$$$$
