WS0079
     RDKit          3D

 77 83  0  0  1  0  0  0  0  0999 V2000
   16.2772   -2.4581    2.3629 C   0  0  0  0  0  3  0  0  0  0  0  0
   21.4123   -1.4643    0.1768 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5407   -1.6653    1.3812 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9657   -2.7512    2.0199 C   0  0  0  0  0  3  0  0  0  0  0  0
   17.0900   -2.0278    1.3414 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7469   -0.1179   -1.2465 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0798   -1.0188   -0.4725 C   0  0  0  0  0  3  0  0  0  0  0  0
   14.5059   -2.6546    0.6839 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6241   -1.8733    0.0233 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4288   -1.9624    0.4574 C   0  0  0  0  0  3  0  0  0  0  0  0
  -10.4610    5.5876    0.4300 C   0  0  0  0  0  1  0  0  0  0  0  0
   17.7334   -1.4048   -0.7237 C   0  0  0  0  0  2  0  0  0  0  0  0
   21.5780    0.1208   -2.0310 C   0  0  0  0  0  2  0  0  0  0  0  0
   20.1847   -0.3173   -1.6899 C   0  0  0  0  0  2  0  0  0  0  0  0
    7.1723   -1.3782    0.3974 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5580   -1.4176   -0.2056 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8546   -3.3228   -0.3306 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2169   -3.1907    0.3838 C   0  0  0  0  0  2  0  0  0  0  0  0
   15.3341   -2.1992   -0.3410 C   0  0  0  0  0  3  0  0  0  0  0  0
   -9.9573    4.0789    0.4999 C   0  0  0  0  0  3  0  0  0  0  0  0
  -17.8204   -0.2644   -1.1962 C   0  0  0  0  0  2  0  0  0  0  0  0
  -16.0436    1.4612    0.6436 C   0  0  0  0  0  2  0  0  0  0  0  0
  -14.3302    2.7986    2.8069 C   0  0  0  0  0  2  0  0  0  0  0  0
  -10.9922    3.4885    2.5273 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3109    0.4487   -1.0607 C   0  0  0  0  0  3  0  0  0  0  0  0
  -19.8987   -0.5146   -2.4735 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3188    1.1171   -0.5835 C   0  0  0  0  0  2  0  0  0  0  0  0
    6.9921   -0.1880   -0.3105 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3547   -0.2056   -0.8685 C   0  0  0  0  0  3  0  0  0  0  0  0
  -13.5412    3.1909    3.9647 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5759    2.2714    3.2267 C   0  0  0  0  0  3  0  0  0  0  0  0
   -8.9685    3.6014   -0.6103 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5354    1.7842   -0.7064 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0322   -0.1328   -0.9683 C   0  0  0  0  0  3  0  0  0  0  0  0
  -16.9156    0.6098   -0.3111 C   0  0  0  0  0  2  0  0  0  0  0  0
  -15.1887    2.2182    1.6795 C   0  0  0  0  0  2  0  0  0  0  0  0
   -0.2473    1.0841   -1.4136 C   0  0  0  0  0  2  0  0  0  0  0  0
    0.6928    1.7858   -0.5324 C   0  0  0  0  0  3  0  0  0  0  0  0
    2.9458    1.7702   -0.8098 C   0  0  0  0  0  2  0  0  0  0  0  0
    5.7084    0.4488   -0.4035 C   0  0  0  0  0  2  0  0  0  0  0  0
    8.0910    0.3954   -0.9351 C   0  0  0  0  0  3  0  0  0  0  0  0
  -20.5115   -1.6250   -3.2331 C   0  0  0  0  0  3  0  0  0  0  0  0
  -18.4746   -2.2860   -2.4066 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8660    1.0132    3.0790 C   0  0  0  0  0  3  0  0  0  0  0  0
   -6.4226    2.5213   -0.2451 C   0  0  0  0  0  3  0  0  0  0  0  0
   -4.9647    0.6135   -0.4842 C   0  0  0  0  0  0  0  0  0  0  0  0
  -19.5855   -2.6750   -3.2079 C   0  0  0  0  0  2  0  0  0  0  0  0
    0.4103    0.3468   -0.5812 C   0  0  0  0  0  2  0  0  0  0  0  0
   -9.7246    0.5771    4.1174 C   0  0  0  0  0  1  0  0  0  0  0  0
  -11.6094   -0.2633    2.4851 C   0  0  0  0  0  1  0  0  0  0  0  0
   -5.1585    1.9455   -0.1408 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.6686    0.0372   -0.3294 C   0  0  0  0  0  2  0  0  0  0  0  0
   -1.7514   -0.8765   -1.2313 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1639   -1.5875    2.4191 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.3885   -2.4448    0.9231 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.5858   -0.8603   -0.1431 N   0  0  0  0  0  2  0  0  0  0  0  0
   10.7941   -1.9692   -0.1442 N   0  0  0  0  0  2  0  0  0  0  0  0
   11.9573   -3.9358    0.1501 N   0  0  0  0  0  2  0  0  0  0  0  0
   18.8492   -1.3625    0.0453 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.8005    0.3643   -1.6427 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8735   -2.1438    1.2581 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  -10.8734    4.5441    3.1689 O   0  0  0  0  0  0  0  0  0  0  0  0
  -20.3842    0.5963   -2.3227 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.5148    2.3785    4.2239 N   0  0  0  0  0  2  0  0  0  0  0  0
   -8.8103    2.2618   -0.7132 N   0  0  0  0  0  2  0  0  0  0  0  0
    1.7946    2.3402   -1.1481 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9568   -3.9912   -0.8405 O   0  0  0  0  0  0  0  0  0  0  0  0
  -18.6747   -0.9787   -1.9779 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5386    3.1488    1.3059 N   0  0  0  0  0  2  0  0  0  0  0  0
  -14.0380    4.0513    4.6769 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4239    4.4413   -1.3434 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3994   -0.3916   -0.1246 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4896   -0.2837   -1.4416 N   0  0  0  0  0  0  0  0  0  0  0  0
  -17.5537   -3.0544   -2.1901 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1834   -1.7687   -2.0025 O   0  0  0  0  0  0  0  0  0  0  0  0
  -21.9537   -1.3635   -4.0994 S   0  0  0  0  0  0  0  0  0  0  0  0
  -22.5872   -3.0516   -4.1186 C   0  0  0  0  0  1  0  0  0  0  0  0
  1  4  2  0
  1  5  1  0
  2  7  1  0
  2 55  2  0
  2 56  1  0
  3  5  1  0
  3 54  2  0
  3 59  1  0
  4  8  1  0
  5  9  2  0
  6 13  1  0
  6 56  1  0
  6 60  2  0
  7 14  1  0
  7 59  1  0
  8 18  1  0
  8 19  2  0
  9 12  1  0
  9 19  1  0
 10 15  2  0
 10 16  1  0
 12 59  1  0
 13 14  1  0
 15 28  1  0
 15 61  1  0
 16 29  2  0
 16 57  1  0
 17 57  1  0
 17 58  1  0
 17 67  2  0
 18 58  1  0
 20 11  1  0
 20 32  1  0
 20 69  1  0
 21 35  1  0
 21 68  1  0
 22 35  1  0
 22 36  1  0
 23 30  1  0
 23 36  1  0
 24 62  2  0
 24 69  1  0
 25 33  2  0
 25 34  1  0
 26 42  1  0
 26 63  2  0
 26 68  1  0
 27 39  1  0
 27 40  1  0
 28 40  1  0
 28 41  2  0
 29 41  1  0
 30 64  1  0
 30 70  2  0
 31 24  1  0
 31 44  1  0
 31 64  1  0
 32 65  1  0
 32 71  2  0
 33 45  1  0
 33 65  1  0
 34 46  2  0
 37 38  1  0
 37 73  1  0
 38 48  1  0
 38 66  1  0
 39 66  1  0
 42 47  1  0
 42 76  1  0
 43 47  1  0
 43 68  1  0
 43 74  2  0
 44 49  1  0
 44 50  1  0
 45 51  2  0
 46 51  1  0
 46 52  1  0
 48 73  1  0
 52 72  1  0
 53 72  1  0
 53 73  1  0
 53 75  2  0
 76 77  1  0
M  RAD  8   1   2   4   2   7   2  10   2  11   2  12   3  13   3  14   3
M  RAD  8  18   3  19   2  20   2  21   3  22   3  23   3  25   2  27   3
M  RAD  8  29   2  31   2  34   2  35   3  36   3  37   3  38   2  39   3
M  RAD  8  40   3  41   2  42   2  44   2  45   2  47   3  48   3  49   2
M  RAD  8  50   2  51   2  52   3  56   2  57   2  58   2  64   2  65   2
M  RAD  2  69   2  77   2
M  END
$$$$
