WS0111
     RDKit          3D

163171  0  0  1  0  0  0  0  0999 V2000
    0.4809   -2.5479    9.4839 C   0  0  0  0  0  2  0  0  0  0  0  0
    2.3431   -1.6477   10.0354 C   0  0  0  0  0  2  0  0  0  0  0  0
    6.7913   -2.3085    8.7835 C   0  0  0  0  0  2  0  0  0  0  0  0
    7.9704   -1.0049    7.5837 C   0  0  0  0  0  2  0  0  0  0  0  0
    9.2033    2.4322    4.6360 C   0  0  0  0  0  2  0  0  0  0  0  0
    8.4826    3.0724    2.6967 C   0  0  0  0  0  2  0  0  0  0  0  0
    3.7769    2.9734    1.7771 C   0  0  0  0  0  2  0  0  0  0  0  0
   -0.2805   -3.8783    9.3752 C   0  0  0  0  0  2  0  0  0  0  0  0
    3.7681   -1.9377   10.5498 C   0  0  0  0  0  2  0  0  0  0  0  0
    5.7940   -2.2906    9.9676 C   0  0  0  0  0  2  0  0  0  0  0  0
    8.3148    0.4953    7.4209 C   0  0  0  0  0  2  0  0  0  0  0  0
    8.8562    2.0801    6.0957 C   0  0  0  0  0  2  0  0  0  0  0  0
    7.3012    3.5109    1.7962 C   0  0  0  0  0  2  0  0  0  0  0  0
    5.1871    3.4673    1.3754 C   0  0  0  0  0  2  0  0  0  0  0  0
    2.4580    1.2862    1.8027 C   0  0  0  0  0  2  0  0  0  0  0  0
   -1.9599   -4.7301    2.2679 C   0  0  0  0  0  2  0  0  0  0  0  0
   -4.0488   -5.0866    1.9940 C   0  0  0  0  0  2  0  0  0  0  0  0
   -7.7792   -7.7598    2.8034 C   0  0  0  0  0  2  0  0  0  0  0  0
   -8.1982   -7.7318    4.9003 C   0  0  0  0  0  2  0  0  0  0  0  0
   -5.2771   -4.8744    7.1292 C   0  0  0  0  0  2  0  0  0  0  0  0
   -3.2870   -4.3311    7.7104 C   0  0  0  0  0  2  0  0  0  0  0  0
   -6.9988   -0.9816    2.4578 C   0  0  0  0  0  2  0  0  0  0  0  0
   -5.1862   -1.6956    3.3263 C   0  0  0  0  0  2  0  0  0  0  0  0
   -0.8223   -2.4698    4.8633 C   0  0  0  0  0  2  0  0  0  0  0  0
    0.8880   -2.6288    3.5882 C   0  0  0  0  0  2  0  0  0  0  0  0
   -5.0695   -6.0400    1.3523 C   0  0  0  0  0  2  0  0  0  0  0  0
   -6.7920   -7.2865    1.7157 C   0  0  0  0  0  2  0  0  0  0  0  0
   -7.7172   -7.2507    6.2894 C   0  0  0  0  0  2  0  0  0  0  0  0
   -6.3834   -5.9329    7.3174 C   0  0  0  0  0  2  0  0  0  0  0  0
   -2.0491   -4.7146    8.5423 C   0  0  0  0  0  2  0  0  0  0  0  0
   -8.0023    0.1912    2.5092 C   0  0  0  0  0  2  0  0  0  0  0  0
   -4.1328   -1.3380    4.3977 C   0  0  0  0  0  2  0  0  0  0  0  0
   -2.1423   -1.7022    5.1203 C   0  0  0  0  0  2  0  0  0  0  0  0
    1.5362   -2.0312    2.3225 C   0  0  0  0  0  2  0  0  0  0  0  0
    2.3010   -0.2106    1.4783 C   0  0  0  0  0  2  0  0  0  0  0  0
    6.3979   -4.3002    0.1115 C   0  0  0  0  0  3  0  0  0  0  0  0
   -0.5621   -5.2999    1.9612 C   0  0  0  0  0  2  0  0  0  0  0  0
  -10.0385    0.7170    3.1648 C   0  0  0  0  0  1  0  0  0  0  0  0
    5.7047   -0.0469    4.5666 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6118   -3.2658    2.3526 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0424   -4.0002   -1.0799 C   0  0  0  0  0  3  0  0  0  0  0  0
    6.2261   -3.2593    1.0008 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0581   -8.1117    3.2824 C   0  0  0  0  0  2  0  0  0  0  0  0
    1.8465  -10.0758    3.1033 C   0  0  0  0  0  2  0  0  0  0  0  0
    4.4720  -10.0257   -0.6760 C   0  0  0  0  0  2  0  0  0  0  0  0
    5.3334   -1.4571    4.0218 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.6427   -0.3739    6.6746 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4102   -8.2137   -1.8542 C   0  0  0  0  0  2  0  0  0  0  0  0
    2.7585   -5.3757   -5.3686 C   0  0  0  0  0  2  0  0  0  0  0  0
    1.9693   -4.0309   -6.8580 C   0  0  0  0  0  2  0  0  0  0  0  0
   -1.3550   -0.1581   -7.5303 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1941   -1.4839   -4.8978 C   0  0  0  0  0  3  0  0  0  0  0  0
    0.8356   -6.8438    2.4370 C   0  0  0  0  0  2  0  0  0  0  0  0
    2.4780  -11.0153    2.0561 C   0  0  0  0  0  2  0  0  0  0  0  0
    3.7156  -10.9558    0.3100 C   0  0  0  0  0  2  0  0  0  0  0  0
    7.5054   -2.6980   -1.3665 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6795   -1.9529    0.7252 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5792   -6.9704   -2.2582 C   0  0  0  0  0  2  0  0  0  0  0  0
    2.8093   -5.7074   -3.8525 C   0  0  0  0  0  2  0  0  0  0  0  0
    0.9833   -2.8503   -7.0711 C   0  0  0  0  0  2  0  0  0  0  0  0
   -0.0445   -0.5815   -7.6036 C   0  0  0  0  0  3  0  0  0  0  0  0
    6.3364   -1.1660    1.8519 C   0  0  0  0  0  2  0  0  0  0  0  0
    4.5899   -2.2606    4.9101 C   0  0  0  0  0  2  0  0  0  0  0  0
    4.2576   -1.6747    6.2416 C   0  0  0  0  0  2  0  0  0  0  0  0
   -1.9430    1.1219   -7.7585 C   0  0  0  0  0  2  0  0  0  0  0  0
    3.9392   -0.8850   -4.7999 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2332   -0.9377   -5.6647 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7730   -2.4941   -4.9373 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1403   -2.4589   -2.6228 C   0  0  0  0  0  2  0  0  0  0  0  0
    7.3293   -1.6536   -0.4494 C   0  0  0  0  0  3  0  0  0  0  0  0
   -5.2061   11.0943   -3.7490 C   0  0  0  0  0  1  0  0  0  0  0  0
   -1.4120    4.1775   -8.3213 C   0  0  0  0  0  3  0  0  0  0  0  0
   -2.8719    2.1924   -7.8521 C   0  0  0  0  0  3  0  0  0  0  0  0
   -7.3956   10.8076   -5.1805 C   0  0  0  0  0  1  0  0  0  0  0  0
   -4.8145    1.6491   -6.3839 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8562    2.5395   -5.0104 C   0  0  0  0  0  2  0  0  0  0  0  0
    1.2565    1.9532   -5.0227 C   0  0  0  0  0  2  0  0  0  0  0  0
    3.7016    0.3239   -5.4737 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9588    0.2542   -6.3371 C   0  0  0  0  0  3  0  0  0  0  0  0
   -6.0659   10.1140   -4.6448 C   0  0  0  0  0  3  0  0  0  0  0  0
   -1.3018    5.5380   -8.6356 C   0  0  0  0  0  3  0  0  0  0  0  0
   -2.0297    3.0765   -3.9584 C   0  0  0  0  0  3  0  0  0  0  0  0
    0.0860    2.8827   -4.6050 C   0  0  0  0  0  2  0  0  0  0  0  0
    2.4856    1.0701   -5.3144 C   0  0  0  0  0  2  0  0  0  0  0  0
   -2.6544    3.5542   -8.3446 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7214    0.8957   -6.2363 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.9689   -1.3063   -1.3332 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7270    8.7320   -4.9349 C   0  0  0  0  0  3  0  0  0  0  0  0
   -2.7912    3.1867   -2.7453 C   0  0  0  0  0  2  0  0  0  0  0  0
   -3.9579    0.1195    0.2591 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4130    6.3262   -8.9651 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7688    4.3197   -8.7239 C   0  0  0  0  0  3  0  0  0  0  0  0
   -4.7106    2.1630   -3.9763 C   0  0  0  0  0  2  0  0  0  0  0  0
   -5.5843    1.9245    0.7467 C   0  0  0  0  0  3  0  0  0  0  0  0
   -7.3612    4.9100    0.7904 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3676    7.8827   -2.8238 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2961    8.4606   -8.9144 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3147    1.3593    0.9203 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9487    3.1457    1.3212 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4456    5.4626   -0.2168 C   0  0  0  0  0  2  0  0  0  0  0  0
   -5.9887    6.8200   -1.9029 C   0  0  0  0  0  2  0  0  0  0  0  0
   -5.1153    8.4115   -6.3076 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2191    9.0356   -7.4707 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.6430    5.6767   -9.0293 C   0  0  0  0  0  3  0  0  0  0  0  0
   -4.2548    2.7061   -2.5822 C   0  0  0  0  0  2  0  0  0  0  0  0
   -4.9900    3.7880    2.1164 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.3896    2.0249    1.7180 C   0  0  0  0  0  3  0  0  0  0  0  0
   -1.9731   10.0128   -7.1966 C   0  0  0  0  0  1  0  0  0  0  0  0
   -3.7197    3.2354    2.3035 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.9803   -2.2067   11.0111 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6006    1.7832    7.3614 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3570    3.9379    0.9705 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1299   -1.3916    9.5623 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6451   -2.2857    7.7718 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5656    2.7317    3.3891 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5533    2.5837    2.0832 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2042   -4.2800    2.9003 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4743    0.6510    3.9065 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9284   -6.8861    0.7883 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3151   -6.8674    7.4962 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9639   -5.0091    9.2602 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8587    1.2085    2.5410 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2574   -1.0218    5.3465 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1317   -1.5102    1.2419 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1705   -4.2487    2.5384 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6335   -8.1744    3.7310 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3258   -3.9660    6.9716 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1291   -1.9895    2.4411 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3236   -3.1226    4.6852 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2110    0.4097    5.7493 N   0  0  0  0  0  2  0  0  0  0  0  0
   -2.1750   -1.1950   -7.1898 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4933   -1.4433   -5.7284 N   0  0  0  0  0  2  0  0  0  0  0  0
    8.6660   -2.1793   -3.9809 N   0  0  0  0  0  2  0  0  0  0  0  0
    5.7223   -1.9321    2.7894 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0644  -11.7689    1.1300 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4791   -0.0804    7.8462 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6464   -5.7709    1.6807 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8325   -5.9086   -2.5344 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1244   -1.9003   -7.2022 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7115   -1.6845   -3.8824 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2912   -9.2276    3.9668 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1667   -9.2598   -1.5276 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7266   -5.1205   -6.6695 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9655    1.1975   -6.3345 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8368    3.7367   -4.1557 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3356   -3.6259   -5.1502 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0786   -1.7345   -0.4518 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0660   -0.8088    0.5791 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0201    8.8262   -2.3762 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1278    2.0429   -5.2233 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2520    5.6380    1.2201 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0597    8.9713   -9.7459 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2335    1.8648   -7.6285 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2298   -2.0583   -2.8874 S   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5261    5.8481   -1.1073 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3121    9.3955   -6.7427 N   0  0  0  0  0  2  0  0  0  0  0  0
   -4.5823   -0.1472   -0.9376 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2111    3.6186    1.1517 N   0  0  0  0  0  2  0  0  0  0  0  0
   -5.9154    7.6721   -4.0678 N   0  0  0  0  0  2  0  0  0  0  0  0
   -2.2482    7.6535   -9.2053 N   0  0  0  0  0  2  0  0  0  0  0  0
   -5.4015    7.3459   -6.8620 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4181   -2.2737   -7.0247 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7291   -2.9912   -2.4958 C   0  0  0  0  0  1  0  0  0  0  0  0
  1  8  1  0
  1113  1  0
  2  9  1  0
  2113  1  0
  3 10  1  0
  3114  1  0
  4 11  1  0
  4114  1  0
  5 12  1  0
  5115  1  0
  6 13  1  0
  6115  1  0
  7 14  1  0
  7116  1  0
  8121  1  0
  9110  1  0
 10110  1  0
 11111  1  0
 12111  1  0
 13112  1  0
 14112  1  0
 15 35  1  0
 15116  1  0
 16 37  1  0
 16125  1  0
 17 26  1  0
 17125  1  0
 18 27  1  0
 18126  1  0
 19 28  1  0
 19126  1  0
 20 29  1  0
 20127  1  0
 21 30  1  0
 21127  1  0
 22 31  1  0
 22128  1  0
 23 32  1  0
 23128  1  0
 24 33  1  0
 24129  1  0
 25 34  1  0
 25129  1  0
 26119  1  0
 27119  1  0
 28120  1  0
 29120  1  0
 30121  1  0
 31122  1  0
 32123  1  0
 33123  1  0
 34124  1  0
 35124  1  0
 36 41  2  0
 36 42  1  0
 37137  1  0
 38122  1  0
 39 46  1  0
 39118  2  0
 39130  1  0
 40 42  1  0
 40117  2  0
 40134  1  0
 41 56  1  0
 42 57  2  0
 43 53  1  0
 43141  1  0
 44 54  1  0
 44141  1  0
 45 55  1  0
 45142  1  0
 46 63  1  0
 46134  1  0
 47 64  1  0
 47130  1  0
 47136  2  0
 48 58  1  0
 48142  1  0
 49 59  1  0
 49143  1  0
 50 60  1  0
 50143  1  0
 51 61  2  0
 51 65  1  0
 51131  1  0
 52 66  2  0
 52 67  1  0
 53137  1  0
 54135  1  0
 55135  1  0
 56 69  1  0
 56 70  2  0
 57 62  1  0
 57 70  1  0
 58138  1  0
 59138  1  0
 60139  1  0
 61139  1  0
 62134  1  0
 63 64  1  0
 65 73  1  0
 66 78  1  0
 66140  1  0
 67 79  2  0
 67132  1  0
 68132  1  0
 68133  1  0
 68146  2  0
 69133  1  0
 71 80  1  0
 72 81  2  0
 72 85  1  0
 73 85  1  0
 73153  1  0
 74 80  1  0
 75144  2  0
 75150  1  0
 75153  1  0
 76 82  1  0
 76150  1  0
 77 83  1  0
 77 84  1  0
 78 84  1  0
 78 86  2  0
 79 86  1  0
 81 91  1  0
 82 89  1  0
 82145  1  0
 83145  1  0
 85 92  2  0
 87147  2  0
 87154  1  0
 87157  1  0
 88 80  1  0
 88102  1  0
 88159  1  0
 89105  1  0
 90 98  1  0
 90148  2  0
 90157  1  0
 91104  2  0
 91160  1  0
 92104  1  0
 93105  1  0
 93150  1  0
 94 98  2  0
 94 99  1  0
 95100  1  0
 95151  2  0
 95158  1  0
 96101  1  0
 96149  2  0
 96159  1  0
 97103  1  0
 97152  2  0
 97160  1  0
 98107  1  0
 99106  2  0
 99158  1  0
100155  1  0
101155  1  0
102156  1  0
102161  2  0
103108  1  0
103156  1  0
106109  1  0
107109  2  0
139162  1  0
147148  1  0
154163  1  0
162131  2  0
M  RAD  8   1   3   2   3   3   3   4   3   5   3   6   3   7   3   8   3
M  RAD  8   9   3  10   3  11   3  12   3  13   3  14   3  15   3  16   3
M  RAD  8  17   3  18   3  19   3  20   3  21   3  22   3  23   3  24   3
M  RAD  8  25   3  26   3  27   3  28   3  29   3  30   3  31   3  32   3
M  RAD  8  33   3  34   3  35   3  36   2  37   3  38   2  41   2  43   3
M  RAD  8  44   3  45   3  46   2  48   3  49   3  50   3  52   2  53   3
M  RAD  8  54   3  55   3  58   3  59   3  60   3  61   2  62   3  63   3
M  RAD  8  64   3  65   3  69   3  70   2  71   2  72   2  73   2  74   2
M  RAD  8  76   3  77   3  79   2  80   2  81   2  82   2  83   3  84   3
M  RAD  8  86   2  88   2  89   3  92   2  93   3  94   2 100   3 101   3
M  RAD  8 103   2 104   2 105   3 106   2 107   2 108   2 109   2 130   2
M  RAD  7 132   2 133   2 156   2 158   2 159   2 160   2 163   2
M  END
$$$$
