WS0057
     RDKit          3D

 88 95  0  0  1  0  0  0  0  0999 V2000
   -2.4875   -1.7122    0.0871 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.3946    4.1315   -1.2191 C   0  0  0  0  0  2  0  0  0  0  0  0
   -3.3953   -0.9953   -0.7031 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7842    2.7393   -1.8071 C   0  0  0  0  0  2  0  0  0  0  0  0
   -1.4196   -1.0906    0.7507 C   0  0  0  0  0  3  0  0  0  0  0  0
    2.3552    3.9022   -0.0615 C   0  0  0  0  0  2  0  0  0  0  0  0
   -3.2268    0.3967   -0.8198 C   0  0  0  0  0  3  0  0  0  0  0  0
   -1.2510    0.2880    0.6144 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2826    1.4984   -1.2731 C   0  0  0  0  0  3  0  0  0  0  0  0
    5.0470    0.1515   -1.4319 C   0  0  0  0  0  2  0  0  0  0  0  0
    8.0790   -0.4064   -1.0297 C   0  0  0  0  0  2  0  0  0  0  0  0
    9.5871   -2.1032   -0.2855 C   0  0  0  0  0  3  0  0  0  0  0  0
   -0.2242    0.9394    1.3532 C   0  0  0  0  0  2  0  0  0  0  0  0
    1.0772    2.7721    1.6901 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3626    1.7248   -0.1833 C   0  0  0  0  0  2  0  0  0  0  0  0
    6.5776   -0.0493   -1.2080 C   0  0  0  0  0  2  0  0  0  0  0  0
    9.4340   -0.8377   -0.8273 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8583   -2.6681   -0.2110 C   0  0  0  0  0  3  0  0  0  0  0  0
   -2.1677    1.0297   -0.1420 C   0  0  0  0  0  3  0  0  0  0  0  0
   12.0031   -1.9810   -0.6146 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5640   -0.1289   -1.2482 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3271   -1.9651   -0.3416 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7053   -2.1190   -0.3186 C   0  0  0  0  0  2  0  0  0  0  0  0
   19.1355   -1.6846   -0.2949 C   0  0  0  0  0  3  0  0  0  0  0  0
   24.5895   -0.4533   -0.1984 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5605   -0.8383   -0.2286 C   0  0  0  0  0  2  0  0  0  0  0  0
   11.8108   -0.7039   -1.1716 C   0  0  0  0  0  3  0  0  0  0  0  0
   17.8167   -1.2155   -0.2438 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1398   -0.7426   -0.1886 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4913    0.6424   -0.1122 C   0  0  0  0  0  3  0  0  0  0  0  0
   26.4051    1.0949   -0.0182 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5393    0.1601   -0.1032 C   0  0  0  0  0  3  0  0  0  0  0  0
   19.8365    0.6305   -0.0252 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1127    1.3939    0.0388 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.9776    1.9528    0.0775 C   0  0  0  0  0  2  0  0  0  0  0  0
   25.4498    2.1468    0.0900 C   0  0  0  0  0  2  0  0  0  0  0  0
   18.5474    1.1052    0.0196 C   0  0  0  0  0  3  0  0  0  0  0  0
   -4.4036   -1.7125   -1.2830 N   0  0  0  0  0  2  0  0  0  0  0  0
    0.6983    1.5288    2.1120 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8093    2.7869    0.5165 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7219    0.2501   -1.6083 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4057   -0.7640   -0.0582 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.2307   -1.6190   -0.3259 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8358    3.7918    2.3487 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.9041   -0.1485   -0.0785 N   0  0  0  0  0  2  0  0  0  0  0  0
   10.4393    1.4045   -2.0370 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   13.1821   -2.6312   -0.5809 N   0  0  0  0  0  2  0  0  0  0  0  0
   15.3731   -2.8034   -0.4046 N   0  0  0  0  0  2  0  0  0  0  0  0
   22.1166    0.3935   -0.1079 N   0  0  0  0  0  0  0  0  0  0  0  0
   27.5945    1.3942   -0.0526 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.2226    2.6108    0.1626 O   0  0  0  0  0  0  0  0  0  0  0  0
  -15.2969   -0.3329    4.0454 C   0  0  0  0  0  1  0  0  0  0  0  0
  -13.4448   -2.1071    4.7105 C   0  0  0  0  0  1  0  0  0  0  0  0
   -7.6767   -0.5094   -2.4730 C   0  0  0  0  0  3  0  0  0  0  0  0
   -5.2521   -1.0288   -2.0687 C   0  0  0  0  0  0  0  0  0  0  0  0
  -24.2997    2.4324   -1.0044 C   0  0  0  0  0  2  0  0  0  0  0  0
  -23.8343    1.4845   -0.0199 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.3163   -1.5197    3.5122 C   0  0  0  0  0  3  0  0  0  0  0  0
   -9.0121   -0.4266   -2.0354 C   0  0  0  0  0  3  0  0  0  0  0  0
   -6.6911   -1.0011   -1.6175 C   0  0  0  0  0  0  0  0  0  0  0  0
  -23.2227    3.2203   -1.3790 C   0  0  0  0  0  3  0  0  0  0  0  0
  -14.5715   -2.2458    2.2596 C   0  0  0  0  0  3  0  0  0  0  0  0
   -7.0767   -1.4799   -0.3680 C   0  0  0  0  0  3  0  0  0  0  0  0
  -20.7913   -0.1009    1.7548 C   0  0  0  0  0  2  0  0  0  0  0  0
  -18.7018   -2.0368    2.8582 C   0  0  0  0  0  2  0  0  0  0  0  0
  -16.1739   -3.6516    3.1910 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6665   -0.0833   -0.8086 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4231   -0.8948   -0.7677 C   0  0  0  0  0  0  0  0  0  0  0  0
  -22.0541    2.7359   -0.6169 C   0  0  0  0  0  0  0  0  0  0  0  0
  -21.6982    0.8493    0.9447 C   0  0  0  0  0  2  0  0  0  0  0  0
  -19.7843   -1.0685    2.4056 C   0  0  0  0  0  2  0  0  0  0  0  0
  -17.4309   -2.8882    3.1034 C   0  0  0  0  0  2  0  0  0  0  0  0
  -14.1191   -1.6151    0.9571 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.9532    0.1309    0.0581 C   0  0  0  0  0  3  0  0  0  0  0  0
   -8.4130   -1.4574    0.0284 C   0  0  0  0  0  3  0  0  0  0  0  0
  -13.5949    1.6451    0.0185 C   0  0  0  0  0  1  0  0  0  0  0  0
  -24.6141    0.6874    0.4783 O   0  0  0  0  0  0  0  0  0  0  0  0
  -16.0795   -4.5159    4.0562 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6779    0.4375   -1.9391 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0050   -0.5540   -3.1832 O   0  0  0  0  0  0  0  0  0  0  0  0
  -13.2645   -0.5945    1.1627 N   0  0  0  0  0  2  0  0  0  0  0  0
  -22.4818    1.6725    0.1889 N   0  0  0  0  0  0  0  0  0  0  0  0
  -15.3237   -3.4122    2.2002 N   0  0  0  0  0  2  0  0  0  0  0  0
  -10.6772   -0.8204   -0.2368 N   0  0  0  0  0  2  0  0  0  0  0  0
  -20.9196    3.1832   -0.7258 O   0  0  0  0  0  0  0  0  0  0  0  0
  -14.6186   -1.9814   -0.1130 O   0  0  0  0  0  0  0  0  0  0  0  0
  -23.0141    4.1884   -2.7685 S   0  0  0  0  0  0  0  0  0  0  0  0
  -24.6347    4.9710   -2.8223 C   0  0  0  0  0  1  0  0  0  0  0  0
  1  3  2  0
  1  5  1  0
  2  4  1  0
  2  6  1  0
  3  7  1  0
  3 38  1  0
  4  9  1  0
  5  8  2  0
  6 40  1  0
  7 19  2  0
  8 13  1  0
  8 19  1  0
  9 15  1  0
  9 41  1  0
 10 16  1  0
 10 41  1  0
 11 16  1  0
 11 17  1  0
 12 17  2  0
 12 18  1  0
 13 39  1  0
 14 39  1  0
 14 40  1  0
 14 44  2  0
 15 40  1  0
 17 21  1  0
 18 20  2  0
 20 27  1  0
 20 47  1  0
 21 27  2  0
 21 46  1  0
 22 42  2  0
 22 47  1  0
 22 48  1  0
 23 28  1  0
 23 48  1  0
 24 28  2  0
 24 29  1  0
 25 30  1  0
 25 43  2  0
 25 45  1  0
 26 29  1  0
 26 49  1  0
 28 32  1  0
 29 33  2  0
 30 35  1  0
 30 49  1  0
 31 36  1  0
 31 45  1  0
 31 50  2  0
 32 37  2  0
 33 34  1  0
 33 37  1  0
 34 49  1  0
 34 51  2  0
 35 36  1  0
 52 58  1  0
 53 58  1  0
 54 59  2  0
 54 60  1  0
 55 60  1  0
 55 80  2  0
 55 38  1  0
 56 57  1  0
 56 61  1  0
 57 77  2  0
 57 82  1  0
 59 68  1  0
 60 63  2  0
 61 69  1  0
 61 87  1  0
 62 58  1  0
 62 73  1  0
 62 83  1  0
 63 75  1  0
 64 70  1  0
 64 71  1  0
 65 71  1  0
 65 72  1  0
 66 72  1  0
 66 78  2  0
 66 83  1  0
 67 74  1  0
 67 79  2  0
 67 84  1  0
 68 75  2  0
 68 84  1  0
 69 82  1  0
 69 85  2  0
 70 82  1  0
 73 81  1  0
 73 86  2  0
 74 76  1  0
 74 81  1  0
 87 88  1  0
M  RAD  8   1   2   2   3   4   3   5   2   6   3   7   2   9   2  10   3
M  RAD  8  11   3  12   2  13   3  15   3  16   3  18   2  19   2  23   3
M  RAD  8  24   2  26   3  27   2  30   2  32   2  35   3  36   3  37   2
M  RAD  8  38   2  45   2  47   2  48   2  52   2  53   2  54   2  56   3
M  RAD  8  58   2  59   2  61   2  62   2  63   2  64   3  65   3  70   3
M  RAD  8  71   3  72   3  74   2  75   2  76   2  81   2  83   2  84   2
M  RAD  1  88   2
M  END
$$$$
