YSW0500
     RDKit          3D

 96 99  0  0  1  0  0  0  0  0999 V2000
    0.6066   -2.3716    0.9649 C   0  0  0  0  0  1  0  0  0  0  0  0
   -1.1191   -1.2564   -0.6576 C   0  0  0  0  0  1  0  0  0  0  0  0
   -7.0660   -0.7843   -0.2826 C   0  0  0  0  0  2  0  0  0  0  0  0
   -7.7188   -3.0123    0.8928 C   0  0  0  0  0  1  0  0  0  0  0  0
  -10.1990    2.3118   -1.4413 C   0  0  0  0  0  2  0  0  0  0  0  0
   -0.3295   -1.1614    0.7032 C   0  0  0  0  0  3  0  0  0  0  0  0
   -7.1573   -1.5271    0.9528 C   0  0  0  0  0  3  0  0  0  0  0  0
   -6.9899    0.0027   -1.6150 C   0  0  0  0  0  1  0  0  0  0  0  0
  -10.0225    1.4089   -0.2138 C   0  0  0  0  0  2  0  0  0  0  0  0
  -11.6787    1.9064   -1.3248 C   0  0  0  0  0  2  0  0  0  0  0  0
   13.1812    1.4678   -6.7391 C   0  0  0  0  0  1  0  0  0  0  0  0
   13.6965    2.1915   -4.3138 C   0  0  0  0  0  1  0  0  0  0  0  0
    5.1981    0.3310   -0.7334 C   0  0  0  0  0  3  0  0  0  0  0  0
    2.8463    0.9376   -0.2670 C   0  0  0  0  0  2  0  0  0  0  0  0
    1.6743    0.7859    1.7341 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6319   -0.1723    1.7157 C   0  0  0  0  0  3  0  0  0  0  0  0
   -4.7400   -1.1600    2.4104 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2003   -0.7925    2.2377 C   0  0  0  0  0  3  0  0  0  0  0  0
   -9.6590   -0.2881    2.1502 C   0  0  0  0  0  2  0  0  0  0  0  0
   17.0972    1.0724    5.0286 C   0  0  0  0  0  2  0  0  0  0  0  0
  -12.1420    1.0132   -0.3016 C   0  0  0  0  0  3  0  0  0  0  0  0
   16.2656    0.9210    3.8635 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9304    1.1435   -5.2173 C   0  0  0  0  0  3  0  0  0  0  0  0
    6.4156    0.5605   -1.4354 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.0922    1.1462   -0.9540 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0618   -0.0829    2.1716 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6096   -1.2417    3.4160 C   0  0  0  0  0  3  0  0  0  0  0  0
   -8.4960   -0.5743    2.9141 C   0  0  0  0  0  3  0  0  0  0  0  0
  -10.9530   -0.1018    1.5554 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.3892    2.8459    0.7022 C   0  0  0  0  0  1  0  0  0  0  0  0
   17.5479   -0.1981    5.4228 C   0  0  0  0  0  3  0  0  0  0  0  0
  -13.5186    0.5735   -0.1938 C   0  0  0  0  0  3  0  0  0  0  0  0
   14.9979   -1.4652    1.1549 C   0  0  0  0  0  2  0  0  0  0  0  0
   14.5883   -1.8832   -1.8110 C   0  0  0  0  0  2  0  0  0  0  0  0
   14.4825   -1.5421   -4.7773 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6412   -0.1985   -4.7087 C   0  0  0  0  0  3  0  0  0  0  0  0
    8.7458    1.1700   -3.0302 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5444    1.6208   -2.3661 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1800    2.1711   -1.9026 C   0  0  0  0  0  3  0  0  0  0  0  0
    0.0874    1.2267    3.6319 C   0  0  0  0  0  1  0  0  0  0  0  0
   -3.8811   -2.0318    4.6014 C   0  0  0  0  0  3  0  0  0  0  0  0
   -6.0452    0.4021    4.0468 C   0  0  0  0  0  1  0  0  0  0  0  0
  -14.6457    1.4540    0.0032 C   0  0  0  0  0  3  0  0  0  0  0  0
   16.9082   -1.1766    4.4770 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3758   -0.3629   -3.8711 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5691   -0.9655    2.4609 C   0  0  0  0  0  2  0  0  0  0  0  0
   14.6641   -1.7845   -0.2936 C   0  0  0  0  0  2  0  0  0  0  0  0
   14.5899   -1.7854   -3.3430 C   0  0  0  0  0  2  0  0  0  0  0  0
    9.0956    0.3546   -4.2921 C   0  0  0  0  0  3  0  0  0  0  0  0
    5.3947    2.3958   -2.5938 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.1577   -1.8296    5.9416 C   0  0  0  0  0  1  0  0  0  0  0  0
   -4.9414   -3.1681    4.6481 C   0  0  0  0  0  1  0  0  0  0  0  0
   -8.9322   -0.6153    5.1588 C   0  0  0  0  0  1  0  0  0  0  0  0
  -15.8226    1.3198   -0.9431 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1135    0.2009   -5.3467 C   0  0  0  0  0  2  0  0  0  0  0  0
  -12.9067   -1.4995   -1.1744 C   0  0  0  0  0  1  0  0  0  0  0  0
    7.0915    0.0294   -6.5533 C   0  0  0  0  0  2  0  0  0  0  0  0
  -17.5036    0.8848    0.5597 C   0  0  0  0  0  3  0  0  0  0  0  0
  -16.8568   -0.3530    1.0960 C   0  0  0  0  0  3  0  0  0  0  0  0
    6.0794   -0.1285   -7.7107 C   0  0  0  0  0  2  0  0  0  0  0  0
  -18.8040    1.4436    1.2487 C   0  0  0  0  0  1  0  0  0  0  0  0
  -16.1905   -0.3613    2.4229 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.3976   -1.4588    2.7738 C   0  0  0  0  0  3  0  0  0  0  0  0
  -16.2889    0.6717    3.3559 C   0  0  0  0  0  3  0  0  0  0  0  0
    5.2832    0.4322   -9.8858 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.7351   -1.5255    3.9943 C   0  0  0  0  0  3  0  0  0  0  0  0
  -15.6165    0.6252    4.5634 C   0  0  0  0  0  3  0  0  0  0  0  0
  -14.8676   -0.4929    4.9031 C   0  0  0  0  0  3  0  0  0  0  0  0
    2.6978    1.0150    2.3969 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6128   -1.6709    1.2806 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3109   -1.0126    3.1013 N   0  0  0  0  0  2  0  0  0  0  0  0
   15.7416    1.8905    3.3507 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9979    0.7043    0.4302 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3902    0.5966    2.2980 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9635   -0.5657    2.9010 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.5232   -1.6081   -5.4400 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4809    1.2377   -2.0528 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6622    0.7590    0.3554 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.2267   -0.7730    6.8709 S   0  0  0  0  0  0  0  0  0  0  0  0
   16.1849   -0.4420    3.5510 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2858   -0.2374   -4.6385 N   0  0  0  0  0  2  0  0  0  0  0  0
   -2.7968    0.7997    1.7143 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7009   -1.3983    4.0042 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9189   -0.6318    2.0853 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2439   -1.3227   -5.2358 N   0  0  0  0  0  2  0  0  0  0  0  0
    7.6168    1.9016   -3.1713 N   0  0  0  0  0  2  0  0  0  0  0  0
  -13.8990   -0.7228   -0.5233 O   0  0  0  0  0  0  0  0  0  0  0  0
  -17.0309    1.6446   -0.4532 N   0  0  0  0  0  2  0  0  0  0  0  0
   17.0027   -2.3817    4.5638 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5374   -0.6546   -2.6831 O   0  0  0  0  0  0  0  0  0  0  0  0
  -15.5838    1.1061   -2.1278 O   0  0  0  0  0  0  0  0  0  0  0  0
  -16.9502   -1.3545    0.3196 O   0  0  0  0  0  1  0  0  0  0  0  0
    5.1005   -0.3007   -8.7919 N   0  0  0  0  0  2  0  0  0  0  0  0
    4.6909    0.3006  -10.9617 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2321    1.5616   -9.8727 N   0  0  0  0  0  1  0  0  0  0  0  0
   19.4383    0.5256    7.1443 C   0  0  0  0  0  1  0  0  0  0  0  0
  1  6  1  0
  2  6  1  0
  3  7  1  0
  3  8  1  0
  5  9  1  0
  5 10  1  0
  7  4  1  0
  7 18  1  0
  9 73  1  0
 11 23  1  0
 12 23  1  0
 13 24  2  0
 13 25  1  0
 14 25  1  0
 14 78  1  0
 15 69  2  0
 15 74  1  0
 15 78  1  0
 16  6  1  0
 16 26  1  0
 16 74  1  0
 17 70  2  0
 17 75  1  0
 18 28  1  0
 18 75  1  0
 19 29  1  0
 20 22  1  0
 20 31  1  0
 21 10  1  0
 21 32  1  0
 22 72  2  0
 22 80  1  0
 24 38  1  0
 25 39  2  0
 26 82  2  0
 27 17  1  0
 27 41  1  0
 27 71  1  0
 28 19  1  0
 28 83  1  0
 29 73  1  0
 29 84  2  0
 31 44  1  0
 31 79  1  0
 32 43  1  0
 32 87  1  0
 33 46  1  0
 33 47  1  0
 34 47  1  0
 34 48  1  0
 35 48  1  0
 35 76  2  0
 35 85  1  0
 36 23  1  0
 36 45  1  0
 36 85  1  0
 37 49  1  0
 37 77  2  0
 37 86  1  0
 38 50  2  0
 38 86  1  0
 39 50  1  0
 40 74  1  0
 41 51  1  0
 41 52  1  0
 42 75  1  0
 43 30  1  0
 43 54  1  0
 44 80  1  0
 44 89  2  0
 45 81  1  0
 45 90  2  0
 46 80  1  0
 49 55  1  0
 49 81  1  0
 53 83  1  0
 54 88  1  0
 54 91  2  0
 55 57  1  0
 56 87  1  0
 57 60  1  0
 58 59  1  0
 58 61  1  0
 58 88  1  0
 59 62  1  0
 59 92  1  0
 60 93  1  0
 62 63  2  0
 62 64  1  0
 63 66  1  0
 64 67  2  0
 65 93  1  0
 65 94  2  0
 65 95  1  0
 66 68  2  0
 67 68  1  0
 71 26  1  0
 73 21  1  0
 79 96  1  0
M  RAD  8   1   2   2   2   3   3   4   2   5   3   6   2   7   2   8   2
M  RAD  8   9   3  10   3  11   2  12   2  13   2  14   3  16   2  18   2
M  RAD  8  19   3  20   3  21   2  23   2  24   2  27   2  28   2  30   2
M  RAD  8  31   2  32   2  33   3  34   3  36   2  39   2  40   2  41   2
M  RAD  8  42   2  43   2  46   3  47   3  48   3  49   2  50   2  51   2
M  RAD  8  52   2  53   2  55   3  56   2  57   3  58   2  59   2  60   3
M  RAD  8  61   2  63   2  64   2  66   2  67   2  68   2  71   2  81   2
M  RAD  7  85   2  86   2  88   2  92   2  93   2  95   3  96   2
M  END
$$$$
