YSW0362
     RDKit          3D

 81 82  0  0  1  0  0  0  0  0999 V2000
  -22.4482   -0.9711    0.1484 C   0  0  0  0  0  0  0  0  0  0  0  0
  -23.2940    0.0424    0.7083 C   0  0  0  0  0  2  0  0  0  0  0  0
  -22.6716    1.2871    0.5931 C   0  0  0  0  0  3  0  0  0  0  0  0
  -11.9463   -2.4196    0.1354 C   0  0  0  0  0  3  0  0  0  0  0  0
  -20.2065   -1.0101   -0.7858 C   0  0  0  0  0  2  0  0  0  0  0  0
  -21.3698    1.0190   -0.0793 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7387   -1.9627    0.6879 C   0  0  0  0  0  3  0  0  0  0  0  0
  -14.3165   -2.0584   -0.4104 C   0  0  0  0  0  2  0  0  0  0  0  0
  -16.5952   -1.7829   -0.7706 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.0935   -1.6266    0.1983 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.9060   -1.7156   -1.2037 C   0  0  0  0  0  2  0  0  0  0  0  0
  -10.6289   -0.7237    1.3363 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.0298   -0.3958    0.8399 C   0  0  0  0  0  3  0  0  0  0  0  0
   -8.3488    2.5869   -0.0935 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8177    0.0323    1.3962 C   0  0  0  0  0  3  0  0  0  0  0  0
   -7.7446    1.5541    0.6847 C   0  0  0  0  0  2  0  0  0  0  0  0
   -8.2837   -0.7282    1.6349 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6337    0.1198    3.2340 C   0  0  0  0  0  1  0  0  0  0  0  0
   -7.2426    0.3973    1.3701 C   0  0  0  0  0  3  0  0  0  0  0  0
   24.2416    0.6721    1.4984 C   0  0  0  0  0  2  0  0  0  0  0  0
   17.0694   -0.0995   -3.2096 C   0  0  0  0  0  2  0  0  0  0  0  0
   12.6534   -1.5433   -2.8335 C   0  0  0  0  0  2  0  0  0  0  0  0
    9.0680    3.3683   -0.8292 C   0  0  0  0  0  2  0  0  0  0  0  0
    9.3933    3.0747    1.2562 C   0  0  0  0  0  2  0  0  0  0  0  0
   10.0125   -1.4081    1.7211 C   0  0  0  0  0  2  0  0  0  0  0  0
    8.8086   -2.3428    0.2269 C   0  0  0  0  0  2  0  0  0  0  0  0
    4.8067   -0.1278    0.1170 C   0  0  0  0  0  2  0  0  0  0  0  0
    3.0029    1.0252    0.1426 C   0  0  0  0  0  2  0  0  0  0  0  0
   -1.7955    0.3311    0.4450 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0672   -0.2211   -0.0444 C   0  0  0  0  0  2  0  0  0  0  0  0
   18.8370   -0.0550   -1.9917 C   0  0  0  0  0  2  0  0  0  0  0  0
   10.8542   -0.4049   -2.5443 C   0  0  0  0  0  2  0  0  0  0  0  0
   -3.5794    0.0230    1.9424 C   0  0  0  0  0  3  0  0  0  0  0  0
   25.3074    0.1419    4.8534 C   0  0  0  0  0  1  0  0  0  0  0  0
   24.3225    0.8816    3.0248 C   0  0  0  0  0  2  0  0  0  0  0  0
   21.7782   -1.0226   -0.3010 C   0  0  0  0  0  2  0  0  0  0  0  0
   19.8303   -0.9325   -1.1992 C   0  0  0  0  0  2  0  0  0  0  0  0
   15.9953   -1.0232   -3.8272 C   0  0  0  0  0  2  0  0  0  0  0  0
   13.9583   -1.6769   -3.6524 C   0  0  0  0  0  2  0  0  0  0  0  0
   10.0652    0.8479   -2.9723 C   0  0  0  0  0  2  0  0  0  0  0  0
    9.2204    2.6272   -2.1736 C   0  0  0  0  0  2  0  0  0  0  0  0
    9.8791    2.0204    2.2766 C   0  0  0  0  0  2  0  0  0  0  0  0
   10.1630   -0.0835    2.4882 C   0  0  0  0  0  2  0  0  0  0  0  0
    7.6019   -2.0596   -0.6856 C   0  0  0  0  0  2  0  0  0  0  0  0
    5.7407   -1.0119   -0.7324 C   0  0  0  0  0  2  0  0  0  0  0  0
    1.8198    1.4908   -0.7357 C   0  0  0  0  0  2  0  0  0  0  0  0
   -0.1891    0.9953   -1.8647 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9966   -0.6343   -0.4584 C   0  0  0  0  0  3  0  0  0  0  0  0
   -5.1303   -0.1774    2.2097 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8351   -2.1627   -0.0833 C   0  0  0  0  0  1  0  0  0  0  0  0
  -22.8297   -2.1239    0.0938 O   0  0  0  0  0  0  0  0  0  0  0  0
  -16.6490   -0.8093   -0.0151 O   0  0  0  0  0  0  0  0  0  0  0  0
  -21.2877   -0.3609   -0.2925 N   0  0  0  0  0  0  0  0  0  0  0  0
  -15.4318   -2.4836   -1.0151 O   0  0  0  0  0  0  0  0  0  0  0  0
  -20.5855    1.9041   -0.3786 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4979    2.3642   -1.5328 N   0  0  0  0  0  1  0  0  0  0  0  0
   -8.7439    3.6670    0.3454 O   0  0  0  0  0  0  0  0  0  0  0  0
  -17.5999   -2.3342   -1.4779 N   0  0  0  0  0  2  0  0  0  0  0  0
   -9.5054   -0.1851    1.8825 N   0  0  0  0  0  2  0  0  0  0  0  0
   -1.2724    1.3971    0.7971 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9971   -1.9228    1.6077 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0625   -0.2433   -1.3799 N   0  0  0  0  0  2  0  0  0  0  0  0
   24.3796    1.0704    4.3370 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6585   -1.7082   -0.5073 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0736   -1.8210   -4.3618 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3996    1.9516   -3.3064 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2768    1.0783    3.1260 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5630   -1.7691   -1.4575 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8272    1.8828   -1.5312 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9056    0.2195    1.1745 N   0  0  0  0  0  2  0  0  0  0  0  0
   -3.0529   -0.0935    0.6834 N   0  0  0  0  0  2  0  0  0  0  0  0
   24.1722    0.4783    0.1821 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.9882    0.7007   -2.6793 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5387   -1.4619   -2.1181 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9562    3.9532    0.3599 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8456   -2.5374    1.0399 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0393    0.6396    0.8823 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0078    1.3493   -2.7119 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4933   -0.5495    3.3340 O   0  0  0  0  0  0  0  0  0  0  0  0
  -22.8276    2.6906    1.5473 S   0  0  0  0  0  0  0  0  0  0  0  0
  -24.6234    2.7345    1.6842 C   0  0  0  0  0  1  0  0  0  0  0  0
  1  2  1  0
  1 51  2  0
  1 53  1  0
  3  6  1  0
  3  2  1  0
  3 80  1  0
  4  7  2  0
  4 10  1  0
  5 11  1  0
  5 53  1  0
  6 53  1  0
  6 55  2  0
  7 12  1  0
  8 10  1  0
  8 54  1  0
  9 52  2  0
  9 54  1  0
  9 58  1  0
 10 13  2  0
 11 58  1  0
 12 15  2  0
 12 59  1  0
 13 15  1  0
 14 56  1  0
 14 57  2  0
 14 16  1  0
 16 19  1  0
 17 19  1  0
 17 59  1  0
 17 61  2  0
 18 33  1  0
 19 70  1  0
 20 35  1  0
 20 72  1  0
 21 38  1  0
 21 73  1  0
 22 39  1  0
 22 74  1  0
 23 41  1  0
 23 75  1  0
 24 42  1  0
 24 75  1  0
 25 43  1  0
 25 76  1  0
 26 44  1  0
 26 76  1  0
 27 45  1  0
 27 77  1  0
 28 46  1  0
 28 77  1  0
 29 60  2  0
 29 71  1  0
 29 48  1  0
 30 36  1  0
 30 72  1  0
 31 37  1  0
 31 73  1  0
 32 40  1  0
 32 74  1  0
 33 49  1  0
 33 71  1  0
 34 63  1  0
 35 63  1  0
 36 64  1  0
 37 64  1  0
 38 65  1  0
 39 65  1  0
 40 66  1  0
 41 66  1  0
 42 67  1  0
 43 67  1  0
 44 68  1  0
 45 68  1  0
 46 69  1  0
 47 62  1  0
 47 69  1  0
 47 78  2  0
 48 50  1  0
 48 62  1  0
 49 70  1  0
 49 79  2  0
 80 81  1  0
M  RAD  8   2   3   3   2   4   2   5   3   7   2   8   3  11   3  13   2
M  RAD  8  15   2  16   3  18   2  19   2  20   3  21   3  22   3  23   3
M  RAD  8  24   3  25   3  26   3  27   3  28   3  30   3  31   3  32   3
M  RAD  8  33   2  34   2  35   3  36   3  37   3  38   3  39   3  40   3
M  RAD  8  41   3  42   3  43   3  44   3  45   3  46   3  48   2  50   2
M  RAD  7  56   3  58   2  59   2  62   2  70   2  71   2  81   2
M  END
$$$$
