LYADC000434
     RDKit          3D

105116  0  0  1  0  0  0  0  0999 V2000
   22.6307    2.9137    2.5394 C   0  0  0  0  0  1  0  0  0  0  0  0
  -16.1484    3.2835    2.5418 C   0  0  0  0  0  2  0  0  0  0  0  0
  -17.5544   -4.2343   -2.4907 C   0  0  0  0  0  1  0  0  0  0  0  0
  -15.2339    3.3562    1.4403 C   0  0  0  0  0  3  0  0  0  0  0  0
  -15.6476    4.5971    2.0236 C   0  0  0  0  0  2  0  0  0  0  0  0
    9.1924    0.7024    2.5798 C   0  0  0  0  0  3  0  0  0  0  0  0
    9.7510   -0.5497    2.8137 C   0  0  0  0  0  3  0  0  0  0  0  0
   20.7211    1.7481    1.1128 C   0  0  0  0  0  3  0  0  0  0  0  0
  -13.0707    3.3461   -2.4802 C   0  0  0  0  0  3  0  0  0  0  0  0
  -12.4175    4.3797   -3.1646 C   0  0  0  0  0  3  0  0  0  0  0  0
   19.7167    0.7353    1.4773 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8394    1.0845    1.2863 C   0  0  0  0  0  3  0  0  0  0  0  0
   22.0226    3.4277   -1.5143 C   0  0  0  0  0  1  0  0  0  0  0  0
    9.9445   -1.4373    1.7531 C   0  0  0  0  0  3  0  0  0  0  0  0
   21.3423    1.3192   -0.0875 C   0  0  0  0  0  3  0  0  0  0  0  0
  -14.6853    2.4706   -0.7074 C   0  0  2  0  0  0  0  0  0  0  0  0
  -18.7197   -4.7229   -0.1764 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.1498   -2.9082   -0.5532 C   0  0  0  0  0  3  0  0  0  0  0  0
  -15.4707    1.7672   -1.7785 C   0  0  0  0  0  2  0  0  0  0  0  0
  -13.9439    3.6210   -1.4146 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.6139    5.6985   -2.7814 C   0  0  0  0  0  3  0  0  0  0  0  0
   12.9775    0.4338   -0.5575 C   0  0  0  0  0  2  0  0  0  0  0  0
   15.8855   -2.9744    0.7756 C   0  0  0  0  0  2  0  0  0  0  0  0
   17.9508   -2.5242    0.5016 C   0  0  0  0  0  2  0  0  0  0  0  0
    9.0339    0.1966    0.2264 C   0  0  0  0  0  3  0  0  0  0  0  0
    9.5930   -1.0597    0.4605 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7575    0.0080   -0.4384 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4002   -1.7106   -3.0384 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6705    1.4689   -1.5275 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2128   -0.7055    0.4576 C   0  0  0  0  0  2  0  0  0  0  0  0
   14.5346   -2.2881    1.0576 C   0  0  0  0  0  2  0  0  0  0  0  0
   18.9319   -1.3355    0.4719 C   0  0  0  0  0  2  0  0  0  0  0  0
  -14.1255    4.9559   -1.0499 C   0  0  0  0  0  3  0  0  0  0  0  0
  -13.4639    5.9922   -1.7165 C   0  0  0  0  0  3  0  0  0  0  0  0
   11.5494   -0.2717   -2.7689 C   0  0  0  0  0  2  0  0  0  0  0  0
  -16.9310   -2.3249    0.5893 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.6873   -4.1689    1.2208 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.3753   -0.3704    0.3224 C   0  0  0  0  0  3  0  0  0  0  0  0
  -13.7129    1.5019    0.0380 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.8843   -3.0781    1.6114 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.6869   -1.6143    0.8794 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.1174    0.2506    0.5336 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7700   -1.9562   -0.6298 C   0  0  0  0  0  2  0  0  0  0  0  0
    9.7564   -2.7806   -1.7959 C   0  0  0  0  0  3  0  0  0  0  0  0
  -18.0794   -2.8832    2.9591 C   0  0  0  0  0  3  0  0  0  0  0  0
  -14.7371   -2.2290    1.6843 C   0  0  0  0  0  3  0  0  0  0  0  0
  -13.1623   -0.4219    1.2985 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5848    1.2312    0.9936 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1873    0.7504    1.5326 C   0  0  0  0  0  2  0  0  0  0  0  0
  -19.0164   -3.8098    3.3274 C   0  0  0  0  0  3  0  0  0  0  0  0
  -13.4945   -1.6364    1.8698 C   0  0  0  0  0  3  0  0  0  0  0  0
   -7.7519    0.6501    0.9413 C   0  0  0  0  0  2  0  0  0  0  0  0
    8.7982   -3.9669   -1.7892 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6487    2.5908    0.1875 C   0  0  0  0  0  2  0  0  0  0  0  0
   -7.1953    1.5345   -0.0671 C   0  0  0  0  0  3  0  0  0  0  0  0
   -5.0419    0.7103   -0.7224 C   0  0  0  0  0  2  0  0  0  0  0  0
    6.6685   -3.3372   -1.0842 C   0  0  0  0  0  2  0  0  0  0  0  0
   -8.2072    2.5178   -0.4041 C   0  0  0  0  0  2  0  0  0  0  0  0
   -4.2797    0.5700   -2.0827 C   0  0  0  0  0  2  0  0  0  0  0  0
    4.9354   -1.8230   -0.1923 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4082    2.8726   -1.0840 C   0  0  0  0  0  2  0  0  0  0  0  0
   -1.5931    1.5130   -2.6238 C   0  0  0  0  0  2  0  0  0  0  0  0
    6.4439   -3.2688    1.3065 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0658    1.6205   -3.1280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6414    2.8197   -2.4349 C   0  0  0  0  0  2  0  0  0  0  0  0
   -0.3608    1.2037   -1.7496 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9098    1.3018   -4.4182 C   0  0  0  0  0  1  0  0  0  0  0  0
    2.6939    0.1278   -0.0750 C   0  0  0  0  0  3  0  0  0  0  0  0
    6.2243   -2.3087    2.3418 C   0  0  0  0  0  2  0  0  0  0  0  0
    0.6037    1.0838   -1.0403 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6938    1.1070   -0.1135 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7058    0.1294    0.9094 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3976   -1.1133    2.0617 C   0  0  0  0  0  2  0  0  0  0  0  0
    1.7109    2.1388    0.8139 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.6760    1.1773    1.8580 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2794    1.8699    4.0281 C   0  0  0  0  0  1  0  0  0  0  0  0
    2.6979    2.1806    1.7781 C   0  0  0  0  0  3  0  0  0  0  0  0
   20.9184    3.1526    2.0388 S   0  0  0  0  0  0  0  0  0  0  0  0
   19.0656    0.7500    2.5086 O   0  0  0  0  0  0  0  0  0  0  0  0
  -15.6919    3.0154    0.1900 O   0  0  0  0  0  0  0  0  0  0  0  0
  -16.2134    1.1286   -2.8005 O   0  0  0  0  0  1  0  0  0  0  0  0
  -19.3467   -5.7007   -0.6115 O   0  0  0  0  0  0  0  0  0  0  0  0
  -17.8590   -3.9495   -1.0479 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.4098   -2.2820   -3.4602 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8247    1.1832   -2.5185 N   0  0  0  0  0  2  0  0  0  0  0  0
   22.7211    1.9003   -0.8895 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.3883   -1.6818    1.3416 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.7401   -0.2384    0.4815 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.0768   -3.5246    0.5667 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4602    1.9866    0.3074 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1674   -2.2489   -2.9915 N   0  0  0  0  0  2  0  0  0  0  0  0
   21.1650   -0.7137   -1.3313 O   0  0  0  0  0  0  0  0  0  0  0  0
  -19.3679   -4.6026    2.3084 N   0  0  0  0  0  3  0  0  0  0  0  0
   13.1881    2.5700   -1.3329 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9372    0.0551    1.5343 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2787    1.7231    1.2288 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5479   -3.7036   -2.2119 N   0  0  0  0  0  2  0  0  0  0  0  0
    9.1900   -5.0660   -1.3604 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7535    1.8515   -0.0438 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0372   -2.8025    0.0179 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8407   -4.3761    1.6514 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2347   -1.7984   -1.2063 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6925    1.8724   -3.5349 N   0  0  0  0  0  2  0  0  0  0  0  0
    4.7087   -0.9225    0.9301 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6682    1.2765    2.8002 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 78  1  0
  2  4  1  0
  2  5  1  0
  3 83  1  0
  4  5  1  0
  4 80  1  0
  6  7  2  0
  6 12  1  0
  7 14  1  0
  8 11  1  0
  8 15  1  0
  8 78  1  0
  9 10  2  0
  9 20  1  0
 10 21  1  0
 11 79  2  0
 11 88  1  0
 12 25  2  0
 13 86  1  0
 14 26  2  0
 15 27  1  0
 15 86  1  0
 16 19  1  6
 16 20  1  0
 16 39  1  0
 16 80  1  0
 17 37  1  0
 17 82  2  0
 17 83  1  0
 18 36  2  0
 18 83  1  0
 19 81  1  0
 20 33  2  0
 21 34  2  0
 22 29  1  0
 22 30  1  0
 23 31  1  0
 23 89  1  0
 24 32  1  0
 24 89  1  0
 25 26  1  0
 26 43  1  0
 27 88  1  0
 27 92  2  0
 28 35  1  0
 28 84  2  0
 28 91  1  0
 29 85  1  0
 29 94  2  0
 30 87  1  0
 31 87  1  0
 32 88  1  0
 33 34  1  0
 35 85  1  0
 36 40  1  0
 36 41  1  0
 37 40  2  0
 37 93  1  0
 38 41  2  0
 38 42  1  0
 39 42  2  0
 39 90  1  0
 40 45  1  0
 41 46  1  0
 42 47  1  0
 44 43  1  0
 44 53  1  0
 44 91  1  0
 45 50  2  0
 46 51  2  0
 47 51  1  0
 47 95  2  0
 48 90  2  0
 48 95  1  0
 48 96  1  0
 49 52  1  0
 49 96  1  0
 50 93  1  0
 52 55  1  0
 53 97  1  0
 53 98  2  0
 54 58  1  0
 54 96  1  0
 55 58  1  0
 55 99  1  0
 56 59  1  0
 56 99  1  0
 57 97  1  0
 57100  1  0
 59 64  1  0
 60100  1  0
 60102  2  0
 60104  1  0
 61 65  1  0
 61 99  1  0
 62 66  1  0
 62103  1  0
 63 69  1  0
 63100  1  0
 63101  2  0
 64 65  1  0
 64 67  1  0
 64103  1  0
 66 70  3  0
 68 71  2  0
 68 72  1  0
 69 73  1  0
 70 71  1  0
 71 74  1  0
 72 75  2  0
 72104  1  0
 73104  1  0
 74 77  2  0
 75 77  1  0
 75105  1  0
 76105  1  0
M  RAD  8   1   2   2   3   3   2   4   2   5   3   6   2   7   2   8   2
M  RAD  8   9   2  10   2  12   2  13   2  14   2  15   2  18   2  19   3
M  RAD  8  21   2  22   3  23   3  24   3  25   2  30   3  31   3  32   3
M  RAD  8  33   2  34   2  35   3  38   2  43   3  44   2  45   2  46   2
M  RAD  8  49   3  50   2  51   2  52   3  54   3  55   2  56   3  57   3
M  RAD  8  58   3  59   3  61   3  62   3  65   3  67   2  68   2  69   3
M  RAD  8  73   3  74   2  76   2  77   2  81   2  85   2  91   2  93   2
M  RAD  2  97   2 103   2
M  END
$$$$
