LYADC000112
     RDKit          3D

103112  0  0  1  0  0  0  0  0999 V2000
   18.5953    6.2885    0.0951 C   0  0  0  0  0  2  0  0  0  0  0  0
   17.5064    4.5439    0.4004 C   0  0  0  0  0  2  0  0  0  0  0  0
   16.2532    1.1298    0.7216 C   0  0  0  0  0  2  0  0  0  0  0  0
   17.5696   -0.5581    0.3633 C   0  0  0  0  0  2  0  0  0  0  0  0
   18.1608    7.5787   -0.6874 C   0  0  0  0  0  2  0  0  0  0  0  0
   15.9998    4.2037    0.3425 C   0  0  0  0  0  2  0  0  0  0  0  0
   15.1514    2.1613    0.5781 C   0  0  0  0  0  2  0  0  0  0  0  0
   16.8809   -1.7423   -0.1920 C   0  0  0  0  0  2  0  0  0  0  0  0
   13.5328   -2.1083   -0.9988 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4997   -2.1261    0.0220 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2479   -2.6474   -0.7829 C   0  0  0  0  0  2  0  0  0  0  0  0
   14.3142   -2.5180    1.3964 C   0  0  0  0  0  2  0  0  0  0  0  0
   11.2202   -3.3435    0.0413 C   0  0  0  0  0  3  0  0  0  0  0  0
   13.7205   -3.6784    2.2698 C   0  0  0  0  0  2  0  0  0  0  0  0
   11.6195   -4.5230    0.7997 C   0  0  0  0  0  2  0  0  0  0  0  0
   12.8244   -4.8286    1.6901 C   0  0  0  0  0  2  0  0  0  0  0  0
   18.6640    5.1119    0.6899 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.4498    0.6536    0.9424 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3874   -2.0109   -2.1012 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.0495   -2.0147   -2.2585 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.3061    8.6822   -1.1973 N   0  0  0  0  0  2  0  0  0  0  0  0
   15.6358   -2.1768   -0.7771 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.8530    3.4413    0.4866 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7746   -6.2059   -2.2110 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6188   -5.1961   -0.4453 C   0  0  0  0  0  3  0  0  0  0  0  0
    5.5596   -4.9858    1.0845 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.2827   -5.1084   -1.1483 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.2407   -4.6046    1.6464 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.2296   -3.9723    0.7995 C   0  0  0  0  0  3  0  0  0  0  0  0
    1.8668   -1.6812   -0.8383 C   0  0  0  0  0  3  0  0  0  0  0  0
    2.7113   -1.6216    0.3402 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4338   -0.4423   -1.3704 C   0  0  0  0  0  3  0  0  0  0  0  0
    8.8175   -1.8622   -1.2692 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3125   -0.2865   -0.1959 C   0  0  0  0  0  2  0  0  0  0  0  0
    1.6093    0.6981   -0.6554 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9332   -1.3313    1.1812 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5938    0.8755    0.1072 C   0  0  0  0  0  2  0  0  0  0  0  0
    3.3248   -0.4179    0.6664 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6583    0.2331    0.5449 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4280   -2.2719    0.0595 C   0  0  0  0  0  2  0  0  0  0  0  0
    6.3791   -0.1814    1.0459 C   0  0  0  0  0  2  0  0  0  0  0  0
    4.0501   -0.0313    1.9706 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8409    0.7352    0.0147 C   0  0  0  0  0  3  0  0  0  0  0  0
    0.3985    1.1469    0.1028 C   0  0  0  0  0  2  0  0  0  0  0  0
   -3.5496   -0.8452    1.3714 C   0  0  0  0  0  2  0  0  0  0  0  0
   -5.4161    2.0476   -0.8060 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7276   -5.3621   -1.1385 O   0  0  0  0  0  1  0  0  0  0  0  0
    4.1355   -6.1317   -3.4482 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5756   -5.3098    1.8801 O   0  0  0  0  0  1  0  0  0  0  0  0
    2.9460   -7.1272   -1.7309 O   0  0  0  0  0  1  0  0  0  0  0  0
    3.2771   -4.2706   -0.5954 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7156   -5.2869    2.6594 O   0  0  0  0  0  1  0  0  0  0  0  0
    2.8221   -2.6981    1.2486 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9596   -2.6460   -2.2507 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3074   -2.5396    1.2197 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3949   -0.3794    2.1355 N   0  0  0  0  0  2  0  0  0  0  0  0
   -2.2498   -0.0576    1.7316 N   0  0  0  0  0  2  0  0  0  0  0  0
   -5.0009    1.9125   -2.0901 N   0  0  0  0  0  2  0  0  0  0  0  0
   10.5512   -2.4492    0.7866 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7375    1.3339    0.7647 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4474   -0.5502   -1.2290 N   0  0  0  0  0  2  0  0  0  0  0  0
   -5.8627   -0.3247    1.0613 N   0  0  0  0  0  2  0  0  0  0  0  0
    3.4926    0.6617    2.8055 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5385   -0.4331   -0.5399 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6075    3.1737   -0.2321 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7315    6.5032    1.0884 C   0  0  0  0  0  2  0  0  0  0  0  0
  -11.6697    4.1670    0.9420 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.8395    5.1031    0.7892 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.8095    7.1370    1.3756 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0377    0.9295   -1.4498 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8551    0.3442   -2.1592 C   0  0  0  0  0  2  0  0  0  0  0  0
  -11.4037    1.6248    0.5174 C   0  0  0  0  0  2  0  0  0  0  0  0
  -14.1314    4.7302    0.5341 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.2502    5.9295    0.3982 C   0  0  2  0  0  0  0  0  0  0  0  0
  -13.4153    2.3774    0.7181 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.2980    3.3404    0.5688 C   0  0  0  0  0  3  0  0  0  0  0  0
  -10.7386   -0.5800   -1.7305 C   0  0  0  0  0  3  0  0  0  0  0  0
  -12.2303    0.5648    0.0210 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.5141    0.8917    0.4280 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1986   -1.8952   -1.8783 C   0  0  0  0  0  2  0  0  0  0  0  0
  -12.0724   -0.4914   -0.8811 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2551   -2.9965   -1.6019 C   0  0  0  0  0  2  0  0  0  0  0  0
  -12.9873   -1.5920   -0.6795 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.2240   -1.2245   -0.0628 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.5987   -2.9008   -1.0341 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.3365   -3.9439   -0.5345 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.9482   -2.3296    0.3626 C   0  0  0  0  0  3  0  0  0  0  0  0
  -14.6116   -3.6052   -0.0338 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.1657   -5.4416   -1.0226 C   0  0  0  0  0  1  0  0  0  0  0  0
  -10.5607    4.5778    1.2694 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0124    1.4327   -0.3108 O   0  0  0  0  0  0  0  0  0  0  0  0
  -13.4854    7.5852    1.2816 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7569   -0.0922   -2.9392 O   0  0  0  0  0  0  0  0  0  0  0  0
  -15.5288    7.5942    2.3153 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0580    2.8101    0.7680 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1680    0.6343   -2.1089 N   0  0  0  0  0  2  0  0  0  0  0  0
  -15.3158    6.1963   -0.8905 O   0  0  0  0  0  1  0  0  0  0  0  0
  -14.5522    0.0640    0.3265 N   0  0  0  0  0  0  0  0  0  0  0  0
  -15.6519   -4.5962    0.0875 F   0  0  0  0  0  0  0  0  0  0  0  0
  -16.6056    5.5301    0.9255 C   0  0  0  0  0  2  0  0  0  0  0  0
  -18.2386    5.3659    1.3418 C   0  0  0  0  0  1  0  0  0  0  0  0
   -5.8081    0.8910   -2.8006 C   0  0  0  0  0  2  0  0  0  0  0  0
   17.1547    9.6397    0.0064 C   0  0  0  0  0  1  0  0  0  0  0  0
  1  5  1  0
  1 17  1  0
  2  6  1  0
  2 17  1  0
  3  7  1  0
  3 18  1  0
  4  8  1  0
  4 18  1  0
  5 21  1  0
  6 23  1  0
  7 23  1  0
  8 22  1  0
  9 10  2  0
  9 11  1  0
  9 20  1  0
 10 12  1  0
 10 22  1  0
 11 13  1  0
 12 14  1  0
 13 15  1  0
 13 59  1  0
 14 16  1  0
 15 16  1  0
 19 20  2  0
 19 22  1  0
 21103  1  0
 24 48  2  0
 24 50  1  0
 25 26  1  0
 25 27  1  0
 25 47  1  0
 26 28  1  0
 26 49  1  0
 27 24  1  0
 27 51  1  0
 28 29  1  0
 28 52  1  0
 29 51  1  0
 29 53  1  0
 30 31  2  0
 30 32  1  0
 31 38  1  0
 31 53  1  0
 32 35  2  0
 33 40  1  0
 33 54  2  0
 33 61  1  0
 34 41  1  0
 34 61  1  0
 35 43  1  0
 35 44  1  0
 36 45  1  0
 36 55  2  0
 36 62  1  0
 37 46  1  0
 37 62  1  0
 38 42  1  0
 38 43  2  0
 39 57  1  0
 39 60  1  0
 39 64  2  0
 40 59  1  0
 41 56  1  0
 42 56  1  0
 42 63  2  0
 44 60  1  0
 45 57  1  0
 46 58  1  0
 46 65  2  0
 58102  1  0
 66 68  1  0
 66 92  1  0
 67 68  1  0
 67 90  2  0
 67 95  1  0
 68 73  2  0
 69 74  1  0
 69 92  1  0
 69 94  2  0
 70 71  1  0
 70 91  2  0
 70 96  1  0
 71 93  1  0
 72 78  1  0
 72 95  1  0
 73 74  1  0
 73 76  1  0
 74 97  1  6
 74100  1  0
 75 76  2  0
 75 79  1  0
 75 95  1  0
 77 80  1  0
 77 81  1  0
 77 96  1  0
 78 79  2  0
 78 81  1  0
 79 98  1  0
 80 82  1  0
 81 83  2  0
 82 85  1  0
 83 84  1  0
 83 85  1  0
 84 87  1  0
 84 98  2  0
 85 86  2  0
 86 88  1  0
 86 89  1  0
 87 88  2  0
 88 99  1  0
 93102  1  0
100101  1  0
M  RAD  8   1   3   2   3   3   3   4   3   5   3   6   3   7   3   8   3
M  RAD  8  11   3  12   3  13   2  14   3  15   3  16   3  21   2  25   2
M  RAD  8  26   2  27   2  28   2  29   2  30   2  32   2  34   3  37   3
M  RAD  8  40   3  41   3  43   2  44   3  45   3  47   2  49   2  50   2
M  RAD  8  52   2  56   2  57   2  58   2  61   2  62   2  66   3  71   3
M  RAD  8  72   3  76   2  77   2  80   3  82   3  87   2  89   2  96   2
M  RAD  5  97   2 100   3 101   2 102   3 103   2
M  END
$$$$
