YF00248
     RDKit          3D

 89 93  0  0  1  0  0  0  0  0999 V2000
   -6.0102    2.8571    1.7051 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7497    2.7068    4.1374 C   0  0  0  0  0  1  0  0  0  0  0  0
   -8.5882    4.3613   -0.4412 C   0  0  0  0  0  2  0  0  0  0  0  0
   -4.5096    2.8568    2.5261 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.1687    1.1831   -4.9824 C   0  0  0  0  0  1  0  0  0  0  0  0
   -9.1039    2.9227   -0.4922 C   0  0  0  0  0  2  0  0  0  0  0  0
   -3.7676    4.3177    2.3230 C   0  0  0  0  0  1  0  0  0  0  0  0
   -3.6078    1.8090    1.9674 C   0  0  0  0  0  2  0  0  0  0  0  0
   -9.5542    1.4789   -0.1140 C   0  0  0  0  0  2  0  0  0  0  0  0
  -11.7224   -1.2902   -3.2601 C   0  0  0  0  0  1  0  0  0  0  0  0
  -13.4207    0.4862   -3.8085 C   0  0  0  0  0  2  0  0  0  0  0  0
   -4.9540   -0.8829   -0.3894 C   0  0  0  0  0  3  0  0  0  0  0  0
   -2.7388    0.7912    1.4942 C   0  0  0  0  0  3  0  0  0  0  0  0
  -16.5113    2.8934   -0.5574 C   0  0  0  0  0  1  0  0  0  0  0  0
  -12.7350   -0.2190   -2.7551 C   0  0  0  0  0  3  0  0  0  0  0  0
    2.1196    1.7586   -0.1087 C   0  0  0  0  0  3  0  0  0  0  0  0
    0.8958    1.7507    0.6127 C   0  0  0  0  0  3  0  0  0  0  0  0
   -5.1348   -1.2344    0.9275 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2558   -1.4088   -1.8204 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1858   -0.0812   -1.9756 C   0  0  0  0  0  2  0  0  0  0  0  0
    4.3501    2.0099   -1.9155 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2369   -0.9017    2.0327 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5141    1.0739    0.7853 C   0  0  0  0  0  2  0  0  0  0  0  0
   -0.2619    1.2152    0.0428 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9065   -2.1929   -0.0835 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4134   -2.2694   -0.1680 C   0  0  0  0  0  2  0  0  0  0  0  0
    7.7407    0.0698   -2.2504 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2224    1.2485   -1.4235 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.1498   -0.1828   -1.3666 C   0  0  0  0  0  3  0  0  0  0  0  0
  -14.8789   -0.1800    0.0959 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7204   -1.3973   -1.6978 C   0  0  0  0  0  2  0  0  0  0  0  0
    5.7281    1.4970   -1.9490 C   0  0  0  0  0  2  0  0  0  0  0  0
    3.3800    1.1020   -2.0788 N   0  0  0  0  0  2  0  0  0  0  0  0
   -8.1233   -2.8954   -0.2479 C   0  0  0  0  0  3  0  0  0  0  0  0
  -10.7312   -1.7273   -0.0648 C   0  0  0  0  0  3  0  0  0  0  0  0
  -12.1461    0.3188   -0.3274 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.4784    0.0045   -1.1562 N   0  0  0  0  0  2  0  0  0  0  0  0
  -16.0466    0.6969    0.3926 C   0  0  0  0  0  3  0  0  0  0  0  0
  -16.5703    2.6145    1.7931 C   0  0  0  0  0  2  0  0  0  0  0  0
   -0.1702    0.6744   -1.2557 C   0  0  0  0  0  3  0  0  0  0  0  0
    1.0467    0.7253   -1.9791 C   0  0  0  0  0  3  0  0  0  0  0  0
   -7.4269   -6.3756   -1.0869 C   0  0  0  0  0  1  0  0  0  0  0  0
  -11.8325   -2.5982    0.3724 C   0  0  0  0  0  3  0  0  0  0  0  0
  -17.0825    0.1194    1.2457 C   0  0  0  0  0  2  0  0  0  0  0  0
  -17.6264    2.0673    2.7804 C   0  0  0  0  0  2  0  0  0  0  0  0
   -7.4682   -5.0382   -0.3253 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9742   -3.0052    1.8886 C   0  0  0  0  0  1  0  0  0  0  0  0
  -12.3082   -3.8166   -0.5384 C   0  0  0  0  0  1  0  0  0  0  0  0
  -17.9010    0.5916    2.4798 C   0  0  0  0  0  2  0  0  0  0  0  0
   -6.8747    3.7502    2.0579 O   0  0  0  0  0  1  0  0  0  0  0  0
   -6.2326    2.0345    0.7691 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7017   -2.5034   -1.9338 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1979    3.2231   -1.8057 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0294   -0.5254    1.6242 N   0  0  0  0  0  2  0  0  0  0  0  0
    7.2398    1.2599   -1.8880 N   0  0  0  0  0  2  0  0  0  0  0  0
   -6.1272   -1.4943   -1.4349 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.2103   -1.2875   -1.4466 N   0  0  0  0  0  2  0  0  0  0  0  0
   -9.9349    0.3580    0.5252 O   0  0  0  0  0  0  0  0  0  0  0  0
  -14.4553   -0.9952    0.9211 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9254   -0.3428   -0.2189 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6998   -0.1729   -1.7050 N   0  0  0  0  0  2  0  0  0  0  0  0
  -15.8086    2.2321    0.5676 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2629   -2.0728    1.0666 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5675   -1.0808    3.1936 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1727   -0.8432   -2.8349 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0389   -4.0412   -1.0337 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4099    1.3575    0.2833 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0725   -5.1248    0.8180 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0669    5.7562   -0.0503 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5482    7.1416    0.4330 C   0  0  0  0  0  3  0  0  0  0  0  0
   18.4196   -0.5495   -1.1810 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4200    0.1532   -0.3412 C   0  0  0  0  0  2  0  0  0  0  0  0
   20.0623   -0.7547    2.6393 C   0  0  0  0  0  2  0  0  0  0  0  0
   16.4241   -1.3755   -2.2901 C   0  0  0  0  0  2  0  0  0  0  0  0
   20.6121    0.4822    2.0966 C   0  0  2  0  0  0  0  0  0  0  0  0
   21.0120    0.8372    0.7548 C   0  0  0  0  0  3  0  0  0  0  0  0
   15.0185   -1.8393   -2.3740 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9935   -2.2512    2.9992 C   0  0  0  0  0  2  0  0  0  0  0  0
   22.1047    0.4195    1.5667 C   0  0  2  0  0  0  0  0  0  0  0  0
   20.8784   -3.4861    2.8558 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7272   -0.8947    1.5911 C   0  0  0  0  0  2  0  0  0  0  0  0
   22.0078   -3.5813    2.4403 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.8912   -2.4613    1.8567 C   0  0  0  0  0  2  0  0  0  0  0  0
   17.8994   -0.2612   -0.1116 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.2964    1.3474    2.6265 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.7816   -0.3795   -1.3683 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.8761   -1.0094   -2.3349 N   0  0  0  0  0  2  0  0  0  0  0  0
   14.7981   -2.7249   -3.2205 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.7890    1.1951    1.8766 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0
  1 50  1  0
  1 51  2  0
  2  4  1  0
  3  6  1  0
  3 69  1  0
  4  7  1  0
  4  8  1  0
  5 11  1  0
  6  9  1  0
  9 58  1  0
 11 15  1  0
 12 18  2  0
 12 56  1  0
 13  8  1  0
 13 23  1  0
 13 54  1  0
 14 62  1  0
 15 10  1  0
 15 29  1  0
 16 28  2  0
 16 17  1  0
 17 24  2  0
 18 22  1  0
 18 63  1  0
 19 31  1  0
 19 52  2  0
 19 61  1  0
 20 27  1  0
 20 61  1  0
 21 32  1  0
 21 33  1  0
 21 53  2  0
 22 64  2  0
 22 54  1  0
 23 24  1  0
 24 40  1  0
 25 34  1  0
 25 56  1  0
 25 63  2  0
 27 55  1  0
 27 65  2  0
 28 33  1  0
 28 41  1  0
 29 37  1  0
 30 37  1  0
 30 38  1  0
 30 59  2  0
 31 57  1  0
 32 55  1  0
 34 66  1  0
 34 26  1  0
 35 26  1  0
 35 43  1  0
 35 60  1  0
 36 60  1  0
 36 67  2  0
 36 29  1  0
 38 62  1  0
 38 44  1  0
 39 45  1  0
 39 62  1  0
 40 41  2  0
 42 46  1  0
 43 47  1  0
 43 48  1  0
 44 49  1  0
 46 68  2  0
 46 66  1  0
 49 45  1  0
 57 77  1  0
 58 60  1  0
 69 70  3  0
 71 84  2  0
 71 86  1  0
 71 87  1  0
 72 86  1  0
 73 75  1  0
 73 78  1  0
 74 77  1  0
 74 87  1  0
 75 76  1  0
 75 79  1  0
 75 85  1  1
 76 72  1  0
 76 79  1  0
 77 88  2  0
 78 80  1  0
 79 81  1  0
 79 89  1  1
 80 82  3  0
 81 83  1  0
 82 83  1  0
M  RAD  8   2   2   3   3   5   2   6   3   7   2   8   3   9   3  10   2
M  RAD  8  11   3  12   2  13   2  14   2  15   2  16   2  17   2  20   3
M  RAD  8  23   3  26   3  29   2  31   3  32   3  33   2  34   2  35   2
M  RAD  8  37   2  38   2  39   3  40   2  41   2  42   2  43   2  44   3
M  RAD  8  45   3  47   2  48   2  49   3  50   2  54   2  55   2  57   2
M  RAD  8  61   2  70   2  72   3  73   3  74   3  76   2  78   3  81   3
M  RAD  2  83   3  87   2
M  END
$$$$
