CHH0121
     RDKit          3D

 80 87  0  0  1  0  0  0  0  0999 V2000
    4.5291    3.0981    0.0177 C   0  0  0  0  0  2  0  0  0  0  0  0
   13.6980    0.5161   -1.7112 C   0  0  0  0  0  2  0  0  0  0  0  0
   13.9382   -0.8785   -1.9277 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2703    2.0790    1.2010 C   0  0  0  0  0  3  0  0  0  0  0  0
   13.6710    0.7675   -0.3326 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.2721    2.1364    0.1103 C   0  0  0  0  0  2  0  0  0  0  0  0
   -1.0825    2.3369   -0.8797 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2829    1.7410   -0.3768 C   0  0  0  0  0  3  0  0  0  0  0  0
    6.5682    1.1018   -0.0253 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7654   -3.4446   -0.4418 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9152   -1.8463   -0.1145 C   0  0  0  0  0  2  0  0  0  0  0  0
   -6.4842    1.1734    0.9188 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7795    1.3499   -0.7862 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3973    2.1946   -0.7087 C   0  0  0  0  0  2  0  0  0  0  0  0
    9.9505   -0.7689   -0.4718 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6180    0.0355   -0.2492 C   0  0  0  0  0  2  0  0  0  0  0  0
   14.0017   -0.5160    0.3383 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1737   -2.8007   -0.4863 C   0  0  0  0  0  3  0  0  0  0  0  0
   -6.8859   -1.8824    2.3812 C   0  0  0  0  0  2  0  0  0  0  0  0
   15.3806   -3.4892   -0.9233 C   0  0  0  0  0  2  0  0  0  0  0  0
   -7.5135   -0.7177    1.8529 C   0  0  0  0  0  3  0  0  0  0  0  0
   -6.7885   -3.1387    1.5494 C   0  0  0  0  0  2  0  0  0  0  0  0
   -6.5590   -5.7506   -0.0157 C   0  0  0  0  0  1  0  0  0  0  0  0
   -7.4591   -3.3237    0.3060 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4611   -1.0008    0.7141 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2479    0.8133    1.1237 C   0  0  0  0  0  2  0  0  0  0  0  0
   17.8226   -4.0679   -0.7077 C   0  0  0  0  0  2  0  0  0  0  0  0
   -7.3840   -4.4905   -0.4546 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3359   -2.2315   -0.0541 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5566   -0.2176    0.4297 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.6290    1.6743    1.2453 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1657   -4.5639   -1.6114 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3935   -0.5741   -0.6336 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2068   -2.4208   -1.1684 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6191    0.2367   -0.4803 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0607   -3.5513   -1.9431 C   0  0  0  0  0  3  0  0  0  0  0  0
  -13.9516    1.4226    0.5498 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.2118    1.8277    1.0030 C   0  0  0  0  0  2  0  0  0  0  0  0
  -12.8144    0.1100   -0.9484 C   0  0  0  0  0  3  0  0  0  0  0  0
  -14.0787    0.6192   -0.5266 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.4791    0.2939   -1.0989 C   0  0  2  0  0  0  0  0  0  0  0  0
  -16.7691    0.8147   -0.2434 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.6332   -1.1731   -1.1892 C   0  0  0  0  0  2  0  0  0  0  0  0
  -15.7960   -2.7187   -1.1693 C   0  0  0  0  0  1  0  0  0  0  0  0
    4.6358    4.4847    0.3600 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9880   -1.3122   -3.0684 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4731    3.0628   -1.7998 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9590    2.0842    0.6051 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5181   -4.4731   -1.0681 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8934    2.3295   -0.4586 N   0  0  0  0  0  2  0  0  0  0  0  0
    8.6590   -1.0846   -0.2814 N   0  0  0  0  0  2  0  0  0  0  0  0
   -7.0443    1.1982   -0.1822 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1451   -1.4421   -0.6898 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5477    2.5492    0.1021 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8346    1.7224    0.0623 N   0  0  0  0  0  2  0  0  0  0  0  0
    5.3175    0.8244   -0.4853 N   0  0  0  0  0  2  0  0  0  0  0  0
   11.9388   -2.8368    0.4324 N   0  0  0  0  0  2  0  0  0  0  0  0
   -6.7667    0.3950    1.9897 N   0  0  0  0  0  2  0  0  0  0  0  0
    2.5430    0.2766   -1.3522 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2382   -0.5955    1.5395 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4609    0.2707   -0.8869 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.5558   -4.1549   -1.5144 N   0  0  0  0  0  2  0  0  0  0  0  0
  -12.6066    2.3149    2.3034 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.2489   -4.0784   -0.0291 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5094    1.0533    0.6633 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1602   -5.6663   -2.3795 F   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2398   -1.6201   -1.4661 N   0  0  0  0  0  0  0  0  0  0  0  0
  -16.5046    1.6826    0.8026 O   0  0  0  0  0  0  0  0  0  0  0  0
  -15.5744    0.8411   -2.2972 O   0  0  0  0  0  1  0  0  0  0  0  0
  -17.9408    0.4794   -0.4499 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6933    5.0611    1.2055 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.7573    6.4221    1.4985 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.7549    7.2048    0.9270 C   0  0  0  0  0  3  0  0  0  0  0  0
    5.7041    6.6357    0.0914 C   0  0  0  0  0  3  0  0  0  0  0  0
    5.6369    5.2786   -0.1966 C   0  0  0  0  0  3  0  0  0  0  0  0
   19.6134   -5.1453    0.5629 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.9875   -3.0494   -0.1776 O   0  0  0  0  0  1  0  0  0  0  0  0
   12.9042    2.0109    0.5270 S   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4249    3.1481    2.3894 C   0  0  0  0  0  1  0  0  0  0  0  0
   14.0916    3.3537    0.1523 C   0  0  0  0  0  1  0  0  0  0  0  0
  1 45  1  0
  2  3  1  0
  3 46  2  0
  3 53  1  0
  4 12  1  0
  4 54  1  0
  4 79  1  0
  5 17  1  0
  5 78  1  0
  5  2  1  0
  6 54  1  0
  6 55  1  0
  7 14  1  0
  7 47  2  0
  7 55  1  0
  8  1  1  0
  8 13  1  0
  8 56  1  0
  9 16  1  0
  9 48  2  0
  9 56  1  0
 10 18  1  0
 10 49  2  0
 10 57  1  0
 11 15  1  0
 11 57  1  0
 12 52  2  0
 12 58  1  0
 13 50  1  0
 13 59  2  0
 14 50  1  0
 15 51  1  0
 15 61  2  0
 16 51  1  0
 17 53  1  0
 17 60  2  0
 18 20  1  0
 18 53  1  0
 19 21  1  0
 19 22  1  0
 20 62  1  0
 21 25  1  0
 21 58  1  0
 22 24  1  0
 23 28  1  0
 24 28  2  0
 24 29  1  0
 25 29  2  0
 25 30  1  0
 26 30  1  0
 26 65  1  0
 27 62  1  0
 27 64  1  0
 28 32  1  0
 29 34  1  0
 30 33  2  0
 31 37  1  0
 31 63  2  0
 31 65  1  0
 32 36  2  0
 32 66  1  0
 33 35  1  0
 33 67  1  0
 34 36  1  0
 34 67  2  0
 35 39  2  0
 35 65  1  0
 37 38  1  0
 37 40  2  0
 38 68  1  0
 39 40  1  0
 40 41  1  0
 41 42  1  0
 41 43  1  0
 41 69  1  6
 42 68  1  0
 42 70  2  0
 43 44  1  0
 45 71  2  0
 64 76  2  0
 64 77  1  0
 71 72  1  0
 72 73  2  0
 73 74  1  0
 74 75  2  0
 75 45  1  0
 78 80  1  0
M  RAD  8   1   3   2   3   4   2   5   2   6   3   8   2  11   3  14   3
M  RAD  8  16   3  18   2  19   3  20   3  21   2  22   3  23   2  26   3
M  RAD  8  27   3  36   2  38   3  39   2  43   3  44   2  50   2  51   2
M  RAD  8  55   2  56   2  57   2  58   2  62   2  69   2  71   2  72   2
M  RAD  6  73   2  74   2  75   2  77   2  79   2  80   2
M  END
$$$$
