WS0060
     RDKit          3D

105111  0  0  1  0  0  0  0  0999 V2000
    8.2296    1.8883    2.2339 C   0  0  0  0  0  3  0  0  0  0  0  0
    9.8494    1.3509    0.2726 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4271    1.1465   -1.5830 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4063    2.8985    2.6983 C   0  0  0  0  0  3  0  0  0  0  0  0
    8.7955    2.1320    1.0065 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1065    1.9295   -1.8345 C   0  0  0  0  0  3  0  0  0  0  0  0
   13.0856    1.1327   -3.8659 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1746    4.0933    1.9946 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7651    4.4198    4.6809 C   0  0  0  0  0  3  0  0  0  0  0  0
    8.5311    3.2829    0.2542 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2947    3.2176   -0.9447 C   0  0  0  0  0  2  0  0  0  0  0  0
   10.9867    2.4501   -3.1394 C   0  0  0  0  0  2  0  0  0  0  0  0
   11.9616    1.9761   -4.1671 C   0  0  0  0  0  2  0  0  0  0  0  0
    0.7159    3.5782    4.3152 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6965    4.8644    3.7332 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5026    6.2961    3.2340 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4603    5.1267    2.6494 C   0  0  0  0  0  2  0  0  0  0  0  0
    7.7095    4.2863    0.7415 C   0  0  0  0  0  3  0  0  0  0  0  0
    2.5937    4.3863    2.4382 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.0700    7.1123    2.3940 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8161   -3.9057   -6.0440 C   0  0  0  0  0  1  0  0  0  0  0  0
   -4.4698   -3.0000   -4.2646 C   0  0  0  0  0  1  0  0  0  0  0  0
   -3.8862   -6.2924   -2.3704 C   0  0  0  0  0  3  0  0  0  0  0  0
   -4.5647   -4.8566   -0.5084 C   0  0  0  0  0  2  0  0  0  0  0  0
   -4.9011   -3.8795    1.5094 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7410   -1.3717    1.3486 C   0  0  0  0  0  2  0  0  0  0  0  0
   -1.6810    1.5383    1.9708 C   0  0  0  0  0  2  0  0  0  0  0  0
    0.5821    3.1414    2.9803 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3441   -3.5610   -5.7383 C   0  0  0  0  0  3  0  0  0  0  0  0
   -4.2658   -6.9186   -3.5517 C   0  0  0  0  0  3  0  0  0  0  0  0
   -4.9007   -5.7024   -1.5973 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0391    0.0374    1.5130 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.0653    1.0853    1.3894 C   0  0  0  0  0  2  0  0  0  0  0  0
   -0.4724    2.3064    2.5335 C   0  0  0  0  0  2  0  0  0  0  0  0
    1.5491    3.5359    2.0436 C   0  0  0  0  0  3  0  0  0  0  0  0
   -6.2180   -5.8383   -1.9745 C   0  0  0  0  0  3  0  0  0  0  0  0
   -6.0859    0.2291    2.5035 C   0  0  0  0  0  2  0  0  0  0  0  0
    2.4930   -1.8471    0.9755 C   0  0  0  0  0  2  0  0  0  0  0  0
    2.7710   -3.7363    3.2424 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4784   -5.7315    4.2021 C   0  0  0  0  0  2  0  0  0  0  0  0
    0.0659   -5.8306    6.9364 C   0  0  0  0  0  2  0  0  0  0  0  0
   -1.2517   -4.2278    6.1197 C   0  0  0  0  0  2  0  0  0  0  0  0
   -2.9838    0.1179    5.0115 C   0  0  0  0  0  2  0  0  0  0  0  0
   -3.7937    2.1448    4.6376 C   0  0  0  0  0  2  0  0  0  0  0  0
   -3.5461    4.2846    0.1823 C   0  0  0  0  0  2  0  0  0  0  0  0
   -4.4396    3.5199   -1.6300 C   0  0  0  0  0  2  0  0  0  0  0  0
   -7.8195    1.8647   -4.8781 C   0  0  0  0  0  2  0  0  0  0  0  0
   -7.4919    0.7522   -6.6944 C   0  0  0  0  0  2  0  0  0  0  0  0
   -5.8268   -1.2501   -8.1206 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2273   -3.0956   -6.8100 C   0  0  0  0  0  3  0  0  0  0  0  0
   -7.0313   -7.4318   -5.7497 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5940   -6.9915   -3.9873 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1571   -2.2133    2.8260 C   0  0  0  0  0  2  0  0  0  0  0  0
    0.9520   -0.3410   -0.1664 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6551   -2.8716    2.0968 C   0  0  0  0  0  2  0  0  0  0  0  0
    3.0401   -6.6057    5.4294 C   0  0  0  0  0  2  0  0  0  0  0  0
    1.3423   -6.6349    6.6808 C   0  0  0  0  0  2  0  0  0  0  0  0
   -1.5038   -3.1514    5.0280 C   0  0  0  0  0  2  0  0  0  0  0  0
   -2.2991   -1.1860    4.5061 C   0  0  0  0  0  2  0  0  0  0  0  0
   -4.0872    3.3046    3.6727 C   0  0  0  0  0  2  0  0  0  0  0  0
   -3.9053    4.2981    1.7256 C   0  0  0  0  0  2  0  0  0  0  0  0
   -5.7795    2.8696   -2.0739 C   0  0  0  0  0  2  0  0  0  0  0  0
   -7.3053    2.0872   -3.4196 C   0  0  0  0  0  2  0  0  0  0  0  0
   -6.6465   -0.2450   -7.4657 C   0  0  0  0  0  2  0  0  0  0  0  0
   -6.5254   -3.8903   -7.0254 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3742   -6.0585   -6.4352 C   0  0  0  0  0  3  0  0  0  0  0  0
   -6.5805   -6.4375   -3.1694 C   0  0  0  0  0  3  0  0  0  0  0  0
   -6.7734   -0.8880    3.3024 C   0  0  0  0  0  2  0  0  0  0  0  0
    1.0910    0.7078   -1.2114 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.1245   -0.2515   -0.7530 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8804   -5.8386   -6.9377 C   0  0  0  0  0  1  0  0  0  0  0  0
    2.4567    0.7649   -1.4871 C   0  0  0  0  0  2  0  0  0  0  0  0
   10.2940    0.2766    0.6850 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7768    1.0026   -0.3963 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2300    0.7144   -2.6013 N   0  0  0  0  0  2  0  0  0  0  0  0
    3.7377    5.6540    4.1548 N   0  0  0  0  0  2  0  0  0  0  0  0
    5.8070    6.1387    3.4904 N   0  0  0  0  0  2  0  0  0  0  0  0
   10.1024    2.1219   -0.9047 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.8343    0.8607   -4.7952 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4224    3.1489    5.5630 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -5.2202   -4.8581    2.1591 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3479    1.0650    0.9768 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0121   -3.5077    4.1656 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8608   -8.3614   -5.7982 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1717   -3.9093    0.3680 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2171   -2.5731    1.8750 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8083   -1.3434   -9.3643 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1048   -0.7204    0.3120 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3762   -5.1240   -6.5373 N   0  0  0  0  0  2  0  0  0  0  0  0
   -1.7039   -2.2854    4.0420 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9778    2.2816   -2.1345 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4645   -7.2999    6.4122 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3960    4.3890    2.9661 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2303   -0.8566    0.0897 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6891   -4.7169    3.1500 N   0  0  0  0  0  2  0  0  0  0  0  0
   -1.0786   -5.1196    7.1130 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6395    1.1714    5.5137 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3614    4.0959   -1.1357 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3122    1.6033   -6.0846 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9668   -1.8185   -7.2693 N   0  0  0  0  0  2  0  0  0  0  0  0
   -5.8159   -7.5564   -5.1883 N   0  0  0  0  0  2  0  0  0  0  0  0
   -7.4923   -3.3507   -7.5525 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3164   -0.5100   -0.9218 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1023    1.9328   -1.3134 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1166    2.3658   -3.0434 C   0  0  0  0  0  1  0  0  0  0  0  0
  1  4  2  0
  1  5  1  0
  2  5  1  0
  2 73  2  0
  2 78  1  0
  3  6  1  0
  3 74  2  0
  3 75  1  0
  4  8  1  0
  5 10  2  0
  6 12  1  0
  6 78  1  0
  7 13  1  0
  7 75  1  0
  7 79  2  0
  8 17  1  0
  8 18  2  0
  9 14  2  0
  9 15  1  0
 10 11  1  0
 10 18  1  0
 11 78  1  0
 12 13  1  0
 14 28  1  0
 14 80  1  0
 15 19  2  0
 15 76  1  0
 16 20  2  0
 16 76  1  0
 16 77  1  0
 17 77  1  0
 19 35  1  0
 21 29  1  0
 22 29  1  0
 23 30  2  0
 23 31  1  0
 24 31  1  0
 24 85  1  0
 25 81  2  0
 25 85  1  0
 25 86  1  0
 26 32  1  0
 26 86  1  0
 27 33  1  0
 27 34  1  0
 28 34  1  0
 28 35  2  0
 30 52  1  0
 31 36  2  0
 32 37  1  0
 32 82  1  0
 33 82  1  0
 36 67  1  0
 37 68  1  0
 38 55  1  0
 38 94  1  0
 39 55  1  0
 39 83  2  0
 39 95  1  0
 40 56  1  0
 40 95  1  0
 41 57  1  0
 41 96  1  0
 42 58  1  0
 42 96  1  0
 43 59  1  0
 43 97  1  0
 44 60  1  0
 44 97  1  0
 45 61  1  0
 45 98  1  0
 46 62  1  0
 46 98  1  0
 47 63  1  0
 47 99  1  0
 48 64  1  0
 48 99  1  0
 49 64  1  0
 49 87  2  0
 49100  1  0
 50 29  1  0
 50 65  1  0
 50100  1  0
 51 66  1  0
 51 84  2  0
 51101  1  0
 52 67  2  0
 52101  1  0
 53 68  1  0
 53 86  1  0
 54 69  1  0
 54 88  2  0
 54 94  1  0
 56 92  1  0
 57 92  1  0
 58 90  1  0
 59 90  1  0
 60 93  1  0
 61 93  1  0
 62 91  1  0
 63 91  1  0
 65 89  1  0
 65102  2  0
 66 71  1  0
 66 89  1  0
 69 72  1  0
 69104  1  0
 70 72  1  0
 70 94  1  0
 70103  2  0
104105  1  0
M  RAD  8   1   2   4   2   6   2   9   2  11   3  12   3  13   3  17   3
M  RAD  8  18   2  19   2  21   2  22   2  23   2  24   3  26   3  27   3
M  RAD  8  29   2  30   2  32   2  33   3  34   3  35   2  36   2  37   3
M  RAD  8  38   3  40   3  41   3  42   3  43   3  44   3  45   3  46   3
M  RAD  8  47   3  48   3  50   2  53   3  55   3  56   3  57   3  58   3
M  RAD  8  59   3  60   3  61   3  62   3  63   3  64   3  66   2  67   2
M  RAD  8  68   3  69   2  71   2  72   3  75   2  76   2  77   2  89   2
M  RAD  4  95   2 100   2 101   2 105   2
M  END
$$$$
