WS0049
     RDKit          3D

 77 83  0  0  1  0  0  0  0  0999 V2000
  -13.0945    0.9553   -0.3676 C   0  0  0  0  0  1  0  0  0  0  0  0
  -10.8961    0.2941   -0.3430 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1271    1.3477   -0.8270 C   0  0  0  0  0  3  0  0  0  0  0  0
  -10.3505   -0.6216    0.5772 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3761   -1.3336    3.3813 C   0  0  0  0  0  1  0  0  0  0  0  0
   -8.8102    1.5046   -0.3957 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0055    2.4510   -1.0949 C   0  0  0  0  0  2  0  0  0  0  0  0
   -9.0309   -0.4322    1.0714 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2600    0.6180    0.5415 C   0  0  0  0  0  3  0  0  0  0  0  0
   -7.3579    3.2271   -2.0885 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1176    4.7348   -1.8574 C   0  0  0  0  0  1  0  0  0  0  0  0
   -7.2957   -1.9607    1.9885 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3380    2.6871   -3.2708 C   0  0  0  0  0  3  0  0  0  0  0  0
   -6.1509   -1.4004    1.2974 C   0  0  0  0  0  2  0  0  0  0  0  0
   -7.4343    1.7384   -4.4790 C   0  0  0  0  0  3  0  0  0  0  0  0
   17.8948    0.9354   -0.4429 C   0  0  0  0  0  2  0  0  0  0  0  0
   -2.2770   -0.1255    4.1676 C   0  0  0  0  0  1  0  0  0  0  0  0
   -4.8182   -1.0215    0.9266 C   0  0  0  0  0  3  0  0  0  0  0  0
   16.4564    0.4648   -0.1922 C   0  0  0  0  0  2  0  0  0  0  0  0
   -7.5546    0.7951   -5.2112 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.3396   -3.1950    0.8347 C   0  0  0  0  0  1  0  0  0  0  0  0
   -3.0121    0.3777    1.6389 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0454   -1.9999    0.0762 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.3037    0.8046    2.8860 C   0  0  0  0  0  3  0  0  0  0  0  0
   -8.4891    0.5953   -7.8565 C   0  0  0  0  0  1  0  0  0  0  0  0
   -7.7041   -0.4726   -5.8621 C   0  0  0  0  0  3  0  0  0  0  0  0
   14.9977    0.0557    0.0593 C   0  0  0  0  0  2  0  0  0  0  0  0
   -0.2406    2.0265    3.2841 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3926   -2.0849   -1.3452 C   0  0  0  0  0  3  0  0  0  0  0  0
   -6.3848   -1.7131   -4.1883 C   0  0  0  0  0  2  0  0  0  0  0  0
   -7.4736   -1.7705   -5.1131 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.3811   -1.9420   -2.7801 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3619   -0.4933    3.3812 C   0  0  0  0  0  2  0  0  0  0  0  0
    0.5195    0.7942    3.3529 C   0  0  0  0  0  2  0  0  0  0  0  0
   -2.4032    3.1851    2.4661 C   0  0  0  0  0  1  0  0  0  0  0  0
    4.4293   -0.8099    4.7712 C   0  0  0  0  0  2  0  0  0  0  0  0
   10.2849    1.3423    0.7526 C   0  0  0  0  0  2  0  0  0  0  0  0
   -5.2779   -1.2080   -2.0654 C   0  0  0  0  0  3  0  0  0  0  0  0
   12.7927    0.7842    0.3974 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7951   -0.4860    4.4833 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8647    1.0190    1.3011 C   0  0  0  0  0  2  0  0  0  0  0  0
   11.3916    0.4056    0.7121 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.7914   -1.1918    3.5842 C   0  0  0  0  0  3  0  0  0  0  0  0
   -5.1640    0.3616   -1.8722 C   0  0  0  0  0  1  0  0  0  0  0  0
   -8.7888   -1.6187   -3.0679 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4230   -0.2462    1.8232 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.8355   -1.1349    2.5184 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9451   -0.8712    1.2240 C   0  0  0  0  0  2  0  0  0  0  0  0
    7.1923   -0.4741    2.4809 C   0  0  0  0  0  2  0  0  0  0  0  0
    9.5222   -1.1827    1.7676 C   0  0  0  0  0  2  0  0  0  0  0  0
  -12.1278    0.0755   -0.9158 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3006   -2.0279    0.9858 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -8.4978   -1.2231    2.1454 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1041   -3.0624    2.4978 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.2305    1.4519   -0.7243 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1718   -0.2671    1.9531 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3745    3.0508    3.5697 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1786   -1.5740   -0.9884 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5639    0.5897    0.5204 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1921   -0.6110   -7.1600 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2235   -2.7740   -5.9201 O   0  0  0  0  0  1  0  0  0  0  0  0
   -1.5718    1.9785    2.8336 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.5913   -0.2872    0.2975 N   0  0  0  0  0  2  0  0  0  0  0  0
    6.5713   -0.1234    5.3496 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6520   -2.1213   -4.3062 N   0  0  0  0  0  2  0  0  0  0  0  0
   -6.3154   -3.0172   -2.5745 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6630   -1.5147   -2.2564 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2718   -1.9157    3.3667 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.0778    1.9794    0.2774 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0110   -0.6782    3.1282 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8626   -1.3028   -2.5548 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6718   -1.4506    1.3490 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.2877    1.3370    0.1083 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.3084    1.9968   -0.4457 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.8832    2.4521   -1.6576 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5769    2.1025   -1.8821 C   0  0  0  0  0  3  0  0  0  0  0  0
   21.7667    3.2218   -2.6453 C   0  0  0  0  0  1  0  0  0  0  0  0
  1 51  1  0
  2  3  2  0
  2  4  1  0
  2 51  1  0
  3  6  1  0
  4  8  2  0
  4 52  1  0
  5 53  1  0
  6  7  1  0
  6  9  2  0
  7 10  1  0
  8  9  1  0
  8 53  1  0
 10 11  1  0
 10 13  2  0
 12 14  1  0
 12 53  1  0
 12 54  2  0
 13 15  1  0
 14 18  1  0
 15 20  2  0
 16 19  1  0
 16 55  1  0
 18 23  1  0
 18 56  1  0
 19 27  1  0
 20 26  1  0
 22 24  1  0
 22 56  1  0
 22 59  2  0
 23 21  1  1
 23 29  1  0
 23 58  1  0
 24 17  1  0
 24 62  1  0
 25 60  1  0
 26 31  1  0
 26 60  1  0
 27 63  1  0
 28 34  1  0
 28 57  2  0
 28 62  1  0
 29 38  1  0
 29 58  1  0
 30 31  1  0
 30 32  1  0
 31 61  1  6
 31 65  1  0
 32 38  1  0
 32 66  1  6
 32 67  1  0
 33 34  1  0
 33 68  1  0
 35 62  1  0
 36 40  1  0
 36 43  1  0
 37 41  1  0
 37 42  1  0
 38 44  1  0
 39 42  1  0
 39 63  1  0
 39 69  2  0
 40 64  2  0
 40 70  1  0
 41 46  1  0
 42 48  1  0
 43 47  1  0
 43 68  1  0
 45 65  1  0
 45 71  2  0
 46 49  1  0
 46 50  1  0
 47 70  1  0
 47 72  2  0
 48 50  1  0
 49 70  1  0
 55 73  1  0
 67 45  1  0
 73 74  2  0
 74 75  1  0
 75 76  2  0
 75 77  1  0
 76 55  1  0
M  RAD  8   1   2   3   2   5   2   7   3   9   2  11   2  13   2  14   3
M  RAD  8  15   2  16   3  17   2  18   2  19   3  20   2  21   2  24   2
M  RAD  8  25   2  26   2  27   3  29   2  30   3  33   3  34   3  35   2
M  RAD  8  36   3  37   3  38   2  41   3  42   2  43   2  44   2  46   2
M  RAD  8  48   3  49   3  50   3  61   2  63   2  65   2  76   2  77   2
M  END
$$$$
