WS0071
     RDKit          3D

129138  0  0  1  0  0  0  0  0999 V2000
    3.8226   -2.0669    2.3323 C   0  0  0  0  0  2  0  0  0  0  0  0
    4.2342   -0.6840    1.7489 C   0  0  0  0  0  2  0  0  0  0  0  0
    4.8927   -2.5105    3.3668 C   0  0  0  0  0  2  0  0  0  0  0  0
    6.0517   -1.7240    3.7149 C   0  0  0  0  0  3  0  0  0  0  0  0
    6.1160   -1.3072    5.8937 C   0  0  0  0  0  2  0  0  0  0  0  0
    4.7704   -0.1054    8.4050 C   0  0  0  0  0  2  0  0  0  0  0  0
    2.9598    0.9976    9.5943 C   0  0  0  0  0  3  0  0  0  0  0  0
    5.6203    1.4006    1.4036 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0698   -0.5355    2.8961 C   0  0  0  0  0  2  0  0  0  0  0  0
    5.3941   -0.7200    7.1345 C   0  0  0  0  0  2  0  0  0  0  0  0
    4.2379    0.4477    9.6175 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4086    1.5815   10.7655 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.1068    1.6122   11.9752 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3741    2.5706   13.1968 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9236    1.8848   13.0385 C   0  0  0  0  0  2  0  0  0  0  0  0
    4.9461    0.4530   10.8220 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9784    1.0081   12.0389 C   0  0  0  0  0  3  0  0  0  0  0  0
   -7.5665   -1.0329   10.1868 C   0  0  0  0  0  2  0  0  0  0  0  0
   -8.6900   -2.0018   10.3367 C   0  0  0  0  0  2  0  0  0  0  0  0
   -5.2844    0.3231   11.1691 C   0  0  0  0  0  2  0  0  0  0  0  0
    4.0986    1.2891   -0.4038 C   0  0  0  0  0  2  0  0  0  0  0  0
    4.3737    1.0341   11.9593 C   0  0  0  0  0  3  0  0  0  0  0  0
   -2.3012    2.0623   12.6598 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3177    1.1853   11.7300 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6518    0.1553   10.9414 C   0  0  0  0  0  3  0  0  0  0  0  0
   -9.7910   -1.8305   11.2304 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3896    0.6812   -1.4781 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9688    3.2641   12.9544 C   0  0  0  0  0  3  0  0  0  0  0  0
   -4.9696    2.3810   12.0571 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4221    2.2150   11.7221 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0087    0.3694   11.6781 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6502   -0.4762   -1.2955 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.3855    1.3005   -2.7253 C   0  0  0  0  0  3  0  0  0  0  0  0
   -4.3277    3.4374   12.6756 C   0  0  0  0  0  3  0  0  0  0  0  0
    2.6236    0.7648   -3.7924 C   0  0  0  0  0  3  0  0  0  0  0  0
    1.9272   -1.0163   -2.3697 C   0  0  0  0  0  3  0  0  0  0  0  0
    1.8672   -0.4041   -3.6283 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1103   -1.0780   -4.5042 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8542    7.8508   -9.5730 C   0  0  0  0  0  2  0  0  0  0  0  0
    0.2645    8.1436   -5.5314 C   0  0  0  0  0  2  0  0  0  0  0  0
    1.6631    6.6012   -5.2010 C   0  0  0  0  0  2  0  0  0  0  0  0
   -1.1614    3.1285   -5.7427 C   0  0  0  0  0  2  0  0  0  0  0  0
   -2.8350    2.8092   -4.4969 C   0  0  0  0  0  2  0  0  0  0  0  0
   -1.6126    0.6567   -0.7421 C   0  0  0  0  0  2  0  0  0  0  0  0
   -1.2271   -1.3203   -0.0298 C   0  0  0  0  0  2  0  0  0  0  0  0
   -0.2371   -5.0866    2.2763 C   0  0  0  0  0  2  0  0  0  0  0  0
    0.9976   -6.7836    2.7312 C   0  0  0  0  0  2  0  0  0  0  0  0
    0.2867   -9.0347   -0.1237 C   0  0  0  0  0  2  0  0  0  0  0  0
   -0.3559   -7.9443   -1.9196 C   0  0  0  0  0  2  0  0  0  0  0  0
   -0.2159   -4.8038   -3.8797 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6155   -2.4763   -4.1010 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.3382   -2.7108   -2.9320 C   0  0  0  0  0  2  0  0  0  0  0  0
   -6.1331   -3.4388   -1.8427 C   0  0  0  0  0  2  0  0  0  0  0  0
   -1.8652    5.9716  -11.2263 C   0  0  0  0  0  3  0  0  0  0  0  0
   -1.0804    8.3983   -6.2069 C   0  0  0  0  0  2  0  0  0  0  0  0
    0.3463    3.4333   -5.6300 C   0  0  0  0  0  2  0  0  0  0  0  0
   -3.1756    2.7409   -2.9933 C   0  0  0  0  0  2  0  0  0  0  0  0
   -1.3003   -4.4915    1.3649 C   0  0  0  0  0  2  0  0  0  0  0  0
    1.2192   -9.9078    0.6163 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0696   -7.7551   -3.3570 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9315   -2.5574   -3.5510 C   0  0  0  0  0  2  0  0  0  0  0  0
   -2.0245    8.3017   -8.1111 C   0  0  0  0  0  2  0  0  0  0  0  0
    1.6872    5.0699   -5.3932 C   0  0  0  0  0  2  0  0  0  0  0  0
   -2.6476    1.6827   -1.2477 C   0  0  0  0  0  2  0  0  0  0  0  0
   -1.8084   -2.7065    0.2966 C   0  0  0  0  0  2  0  0  0  0  0  0
    1.4319   -8.1458    2.2239 C   0  0  0  0  0  2  0  0  0  0  0  0
    0.9998   -5.6999   -3.5633 C   0  0  0  0  0  3  0  0  0  0  0  0
   -4.7405   -3.0124   -2.3437 C   0  0  0  0  0  2  0  0  0  0  0  0
   -2.7907    4.7824  -13.1566 C   0  0  0  0  0  2  0  0  0  0  0  0
   -2.4787    5.9835  -12.4488 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7613    2.7428  -13.5290 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2984   -5.1284   -3.3889 C   0  0  0  0  0  2  0  0  0  0  0  0
    4.4193   -4.3538   -4.2501 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.5676   -4.5433   -3.1667 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6797   -3.7936   -4.0475 C   0  0  0  0  0  3  0  0  0  0  0  0
   -1.9768    1.8721  -11.1063 C   0  0  0  0  0  2  0  0  0  0  0  0
   -1.7943    1.6400  -12.5227 C   0  0  0  0  0  3  0  0  0  0  0  0
   -1.4424    1.0019   -9.9286 C   0  0  0  0  0  2  0  0  0  0  0  0
    6.0765   -3.4025   -2.7670 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.9677   -4.1638   -1.8780 C   0  0  0  0  0  3  0  0  0  0  0  0
   -0.9383    0.4651  -12.6386 C   0  0  0  0  0  2  0  0  0  0  0  0
    5.2270   -3.6004   -1.6822 C   0  0  0  0  0  3  0  0  0  0  0  0
    1.1777   -2.5869   -7.8144 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6239   -0.2059  -10.0570 C   0  0  0  0  0  3  0  0  0  0  0  0
    1.0740   -3.9487   -7.1414 C   0  0  0  0  0  3  0  0  0  0  0  0
   -0.4087   -0.4402  -11.4684 C   0  0  0  0  0  2  0  0  0  0  0  0
   -0.3805   -1.1387   -9.0268 C   0  0  0  0  0  2  0  0  0  0  0  0
   -0.2933   -4.2731   -7.2489 C   0  0  0  0  0  2  0  0  0  0  0  0
   -0.9646   -3.2643   -8.0066 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3117    0.1498    1.9467 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6432    2.0241    1.7095 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7637   -1.8767    4.8761 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1068    3.7714   13.2635 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7111    1.9857    0.5480 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5206   -0.2180   10.9708 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.6475    2.1210   13.1438 N   0  0  0  0  0  2  0  0  0  0  0  0
    0.4892    1.5559   13.3767 N   0  0  0  0  0  2  0  0  0  0  0  0
   -6.5170    0.8923   11.2577 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5446   -2.7784   11.3999 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9642   -0.5943   11.7093 N   0  0  0  0  0  2  0  0  0  0  0  0
   -9.1948    1.4448   12.2614 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2193    3.1417   11.7623 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9165   -0.1595   -4.6297 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2258   -0.9569   -4.6812 N   0  0  0  0  0  2  0  0  0  0  0  0
   -1.3626   -5.2740   -3.8522 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9270   -9.3997    1.6362 N   0  0  0  0  0  2  0  0  0  0  0  0
    1.0412   -7.0624   -3.6072 N   0  0  0  0  0  2  0  0  0  0  0  0
   -2.2329    8.5895   -6.8314 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6357    3.7507   -5.4786 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4643    2.6433   -1.6762 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2773   -3.9111    0.6458 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8420    7.3100  -10.9397 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7240    3.0095  -14.1712 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4708    7.9135   -5.0436 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4607    2.8773   -5.7867 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6708   -0.1414   -0.2546 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6918   -5.5374    3.1242 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5864   -8.1463   -0.6230 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1821   -3.5685   -4.2741 N   0  0  0  0  0  2  0  0  0  0  0  0
   -7.4249   -4.0207   -1.5349 N   0  0  0  0  0  1  0  0  0  0  0  0
   -2.0509    8.0662  -12.0475 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9374    3.3839  -13.5994 N   0  0  0  0  0  2  0  0  0  0  0  0
    1.3448  -11.0849    0.2419 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7010   -8.4538   -4.1549 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5557    7.2488  -12.9770 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2153   -2.1493   -8.2981 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1189   -2.1652   -8.1570 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9643   -3.5233   -8.6652 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1203   -5.0586   -7.5747 C   0  0  0  0  0  1  0  0  0  0  0  0
  1  2  1  0
  1  3  1  0
  2 90  1  0
  3  4  1  0
  4  9  1  0
  4 92  1  0
  5 10  1  0
  5 92  1  0
  6 10  1  0
  6 11  1  0
  7 11  2  0
  7 12  1  0
  8 90  1  0
  8 91  2  0
  8 94  1  0
  9 90  1  0
 11 16  1  0
 12 13  2  0
 13 22  1  0
 13 96  1  0
 14 93  2  0
 14 96  1  0
 14 97  1  0
 15 23  1  0
 15 97  1  0
 16 22  2  0
 16 95  1  0
 17 23  2  0
 17 24  1  0
 18 19  1  0
 18 25  1  0
 19 26  1  0
 20 24  1  0
 20 98  1  0
 21 27  1  0
 21 94  1  0
 23 28  1  0
 24 29  2  0
 25 31  1  0
 25 98  1  0
 26 99  2  0
 26100  1  0
 27 32  2  0
 27 33  1  0
 28 34  2  0
 29 30  1  0
 29 34  1  0
 30 98  1  0
 30102  2  0
 31100  1  0
 31101  2  0
 32 36  1  0
 33 35  2  0
 35 37  1  0
 36 37  2  0
 37104  1  0
 38 51  1  0
 38103  2  0
 38104  1  0
 39 62  1  0
 39112  1  0
 40 55  1  0
 40114  1  0
 41 63  1  0
 41114  1  0
 42 56  1  0
 42115  1  0
 43 57  1  0
 43115  1  0
 44 64  1  0
 44116  1  0
 45 65  1  0
 45116  1  0
 46 58  1  0
 46117  1  0
 47 66  1  0
 47117  1  0
 48 59  1  0
 48118  1  0
 49 60  1  0
 49118  1  0
 50 67  1  0
 50105  2  0
 50119  1  0
 51 61  1  0
 51119  1  0
 52 61  1  0
 52 68  1  0
 53 68  1  0
 53120  1  0
 54 70  2  0
 54112  1  0
 55108  1  0
 56109  1  0
 57110  1  0
 58111  1  0
 59106  1  0
 59123  2  0
 60107  1  0
 60124  2  0
 62108  1  0
 63109  1  0
 64110  1  0
 65111  1  0
 66106  1  0
 67 72  1  0
 67107  1  0
 69 70  1  0
 69122  1  0
 70125  1  0
 71113  2  0
 71122  1  0
 72 74  1  0
 73 74  2  0
 73 75  1  0
 74 80  1  0
 75 79  2  0
 76 77  1  0
 76 78  1  0
 77 71  1  1
 77 81  1  0
 78 84  1  0
 79 82  1  0
 80 82  2  0
 81 86  1  0
 83 85  1  0
 83126  2  0
 83127  1  0
 84 86  1  0
 84 87  1  6
 85 88  1  0
 85129  1  0
 87127  1  0
 88 89  1  0
 89127  1  0
 89128  2  0
112121  1  0
121125  2  0
M  RAD  8   1   3   2   3   3   3   4   2   5   3   6   3   7   2   9   3
M  RAD  8  10   3  12   2  15   3  17   2  18   3  19   3  20   3  21   3
M  RAD  8  22   2  25   2  28   2  32   2  33   2  34   2  35   2  36   2
M  RAD  8  39   3  40   3  41   3  42   3  43   3  44   3  45   3  46   3
M  RAD  8  47   3  48   3  49   3  51   2  52   3  53   3  54   2  55   3
M  RAD  8  56   3  57   3  58   3  61   3  62   3  63   3  64   3  65   3
M  RAD  8  66   3  67   2  68   3  69   3  72   3  73   2  75   2  76   3
M  RAD  8  77   2  78   3  79   2  80   2  81   3  82   2  84   2  85   2
M  RAD  8  86   3  87   3  88   3  96   2  97   2 100   2 104   2 106   2
M  RAD  5 107   2 119   2 120   3 122   2 129   2
M  END
$$$$
