WS0037
     RDKit          3D

 73 79  0  0  1  0  0  0  0  0999 V2000
   12.6271    2.5275   -1.5974 C   0  0  0  0  0  2  0  0  0  0  0  0
   11.5751    3.6298    2.2973 C   0  0  0  0  0  2  0  0  0  0  0  0
   10.9048    1.6947    2.7784 C   0  0  0  0  0  2  0  0  0  0  0  0
    9.2198   -2.4426    0.7337 C   0  0  0  0  0  2  0  0  0  0  0  0
    3.9679   -0.9349    0.8388 C   0  0  0  0  0  2  0  0  0  0  0  0
   -0.3544    0.2907   -0.2725 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2146    0.6852   -1.7454 C   0  0  0  0  0  2  0  0  0  0  0  0
    5.5983   -2.7144    0.5306 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5756    1.4856   -0.6849 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1222   -3.6942   -0.0128 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7951   -0.4081    1.6023 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1622   -0.0252   -0.1718 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.6217    0.2867   -1.9308 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7673    3.6751   -1.0305 C   0  0  0  0  0  2  0  0  0  0  0  0
   11.3331    4.3484    0.9273 C   0  0  0  0  0  2  0  0  0  0  0  0
   10.0180    0.8565    1.8516 C   0  0  0  0  0  2  0  0  0  0  0  0
    9.1284   -0.8977    1.0004 C   0  0  0  0  0  2  0  0  0  0  0  0
    6.7868   -3.1834   -0.2362 C   0  0  0  0  0  2  0  0  0  0  0  0
   15.1419    0.0593   -0.7480 C   0  0  0  0  0  3  0  0  0  0  0  0
   13.6422    0.4433   -2.5216 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8412   -0.6312   -1.2955 C   0  0  0  0  0  2  0  0  0  0  0  0
   14.7412   -0.3466   -2.0383 C   0  0  0  0  0  2  0  0  0  0  0  0
    5.1242   -3.4823    1.3754 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0919    0.0293    0.6932 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9752    2.4552   -0.0381 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0478   -3.7932   -0.8202 N   0  0  0  0  0  2  0  0  0  0  0  0
    1.6927    0.0941    1.0727 N   0  0  0  0  0  2  0  0  0  0  0  0
   11.1741    4.6524   -0.3408 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1398    0.4384    0.9693 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6051    1.5819   -1.7005 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.6716    2.6769    3.2601 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2575   -1.4275    0.2717 N   0  0  0  0  0  2  0  0  0  0  0  0
   -0.7205    0.8572   -1.4648 N   0  0  0  0  0  2  0  0  0  0  0  0
    2.9778   -0.4309    2.8234 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8435   -0.9164   -2.0925 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0735   -4.4862    0.0328 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5904   -1.2963   -2.3178 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8834    0.0050   -3.3628 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9000   -0.9001   -2.6312 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.6382   -1.5067   -3.6361 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.0575   -2.5868   -4.2985 C   0  0  0  0  0  3  0  0  0  0  0  0
    2.7695   -3.0208   -3.9584 C   0  0  0  0  0  3  0  0  0  0  0  0
    2.0121   -2.3681   -2.9979 C   0  0  0  0  0  3  0  0  0  0  0  0
   14.7607   -1.0440    0.5620 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.1684   -0.4235    1.0571 C   0  0  0  0  0  1  0  0  0  0  0  0
  -14.6371   -4.0413    1.7648 C   0  0  0  0  0  1  0  0  0  0  0  0
  -14.9468   -2.5657    1.3408 C   0  0  0  0  0  2  0  0  0  0  0  0
  -15.2496   -1.1299    1.0857 C   0  0  2  0  0  0  0  0  0  0  0  0
  -15.5290   -0.9290   -0.1927 O   0  0  0  0  0  1  0  0  0  0  0  0
  -13.9731   -0.3001    1.4498 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.6982   -0.2969    0.8185 C   0  0  0  0  0  3  0  0  0  0  0  0
  -11.6245    0.3847    1.0837 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3026    0.4927    0.4455 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8331   -0.1204   -0.6429 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5486    0.2165   -0.9622 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9328   -0.2899   -2.0880 C   0  0  0  0  0  3  0  0  0  0  0  0
   -6.6297    0.0915   -2.4725 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2376   -0.3801   -3.6662 F   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8218    0.9420   -1.7158 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5183    1.2975   -1.9681 N   0  0  0  0  0  2  0  0  0  0  0  0
   -6.4492    1.4483   -0.5880 C   0  0  0  0  0  3  0  0  0  0  0  0
   -7.7673    1.1411   -0.2190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3062    1.7791    0.9005 C   0  0  0  0  0  3  0  0  0  0  0  0
   -9.5927    1.4056    1.2144 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4584    1.8261    2.2540 C   0  0  0  0  0  2  0  0  0  0  0  0
  -11.6857    1.2301    2.2058 N   0  0  0  0  0  0  0  0  0  0  0  0
  -14.0039    0.5425    2.5107 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.2822    0.5353    3.0895 C   0  0  0  0  0  2  0  0  0  0  0  0
  -16.5116    0.0313    2.9970 O   0  0  0  0  0  0  0  0  0  0  0  0
  -16.6116   -0.8712    1.9596 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.6877   -1.4560    1.8018 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.8445    1.3840    2.9484 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.9369    2.1607    3.9119 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0
  1 30  1  0
  2 15  1  0
  2 31  1  0
  3 16  1  0
  3 31  1  0
  4 10  1  0
  4 17  1  0
  5 11  1  0
  5 32  1  0
  6 12  1  0
  6 24  2  0
  6 33  1  0
  7 13  1  0
  7 33  1  0
  8 18  1  0
  8 23  2  0
  8 32  1  0
  9 19  1  0
  9 25  2  0
  9 30  1  0
 10 26  1  0
 10 36  2  0
 11 27  1  0
 11 34  2  0
 12 21  1  0
 12 27  1  0
 13 35  2  0
 14 28  1  0
 15 28  1  0
 16 29  1  0
 17 29  1  0
 18 26  1  0
 19 22  1  0
 19 44  1  0
 20 22  1  0
 20 30  1  0
 20 38  2  0
 21 37  1  0
 37 39  2  0
 39 40  1  0
 40 41  2  0
 41 42  1  0
 42 43  2  0
 43 37  1  0
 44 45  1  0
 46 47  1  0
 48 47  1  0
 48 49  1  6
 48 50  1  0
 48 70  1  0
 50 51  1  0
 50 67  2  0
 51 52  2  0
 52 53  1  0
 52 66  1  0
 53 54  1  0
 53 64  2  0
 54 55  2  0
 55 56  1  0
 55 62  1  0
 56 57  2  0
 57 58  1  0
 57 59  1  0
 59 60  1  0
 59 61  2  0
 60 13  1  0
 61 62  1  0
 62 63  2  0
 63 64  1  0
 64 65  1  0
 65 66  1  0
 66 72  1  0
 67 68  1  0
 67 72  1  0
 68 69  1  0
 69 70  1  0
 70 71  2  0
 72 73  2  0
M  RAD  8   1   3   2   3   3   3   4   3   5   3   7   3  12   2  14   3
M  RAD  8  15   3  16   3  17   3  18   3  19   2  21   3  22   3  26   2
M  RAD  8  27   2  32   2  33   2  39   2  40   2  41   2  42   2  43   2
M  RAD  8  45   2  46   2  47   3  49   2  51   2  56   2  60   2  61   2
M  RAD  3  63   2  65   3  68   3
M  END
$$$$
