LYADC000467
     RDKit          3D

111121  0  0  1  0  0  0  0  0999 V2000
  -17.1299   -2.5093   -1.0257 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.6705   -3.5254   -0.1359 C   0  0  0  0  0  2  0  0  0  0  0  0
  -16.3430   -6.4932    1.7872 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.0067   -4.5205    0.6383 C   0  0  0  0  0  3  0  0  0  0  0  0
  -14.4927   -4.4835    0.6019 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.0963   -7.1603    2.9807 C   0  0  0  0  0  1  0  0  0  0  0  0
  -14.5544   -0.9009    2.8571 C   0  0  0  0  0  2  0  0  0  0  0  0
  -12.5371   -4.0749    1.8594 C   0  0  0  0  0  2  0  0  0  0  0  0
  -14.7286    3.3315   -2.8265 C   0  0  0  0  0  1  0  0  0  0  0  0
  -15.0988   -0.3376    1.5792 C   0  0  0  0  0  2  0  0  0  0  0  0
  -13.8468   -1.0312    1.6180 C   0  0  0  0  0  3  0  0  0  0  0  0
  -10.9835   -1.7856   -1.5671 C   0  0  0  0  0  3  0  0  0  0  0  0
  -11.1886   -1.8787   -2.9442 C   0  0  0  0  0  3  0  0  0  0  0  0
  -11.6180   -0.9852    0.7599 C   0  0  1  0  0  0  0  0  0  0  0  0
  -14.2199    5.8234   -2.1620 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8817   -1.0807   -0.7465 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.4212    3.8920   -0.9316 C   0  0  0  0  0  3  0  0  0  0  0  0
  -11.4156   -2.3310    1.3599 C   0  0  0  0  0  2  0  0  0  0  0  0
  -12.3000   -1.2718   -3.5217 C   0  0  0  0  0  3  0  0  0  0  0  0
  -12.9710   -0.4492   -1.3548 C   0  0  0  0  0  3  0  0  0  0  0  0
  -13.1820   -0.5446   -2.7284 C   0  0  0  0  0  3  0  0  0  0  0  0
  -13.5014    6.5466   -1.0505 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.6419    4.3049    0.0207 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5765    2.1004    0.5794 C   0  0  0  0  0  3  0  0  0  0  0  0
  -10.3642   -0.0753    1.0013 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7663    5.8890   -0.0361 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5690    3.4946    0.6018 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4534    1.3307    0.9797 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.2392    6.8608    0.7838 C   0  0  0  0  0  3  0  0  0  0  0  0
  -10.4335    4.1282    1.0844 C   0  0  0  0  0  3  0  0  0  0  0  0
   -9.2965    2.0042    1.3785 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0784    0.0608    1.5172 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4424   -1.5095    0.5694 C   0  0  0  0  0  2  0  0  0  0  0  0
  -12.5958    8.0502    0.2037 C   0  0  0  0  0  3  0  0  0  0  0  0
   -9.3197    3.3858    1.4581 C   0  0  0  0  0  3  0  0  0  0  0  0
   -5.1819   -1.5094   -0.3422 C   0  0  0  0  0  2  0  0  0  0  0  0
   -5.6253    0.3261    1.7317 C   0  0  0  0  0  2  0  0  0  0  0  0
   -4.1029   -0.5659   -0.2303 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.1946    0.4069   -2.2418 C   0  0  0  0  0  2  0  0  0  0  0  0
   -4.3427    0.3572    0.8466 C   0  0  0  0  0  2  0  0  0  0  0  0
   -2.4421    1.6918   -2.7215 C   0  0  0  0  0  2  0  0  0  0  0  0
   16.3727   -2.7461    0.1034 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6795   -1.4394   -2.4984 C   0  0  0  0  0  2  0  0  0  0  0  0
    8.3717   -2.0569   -1.8771 C   0  0  0  0  0  2  0  0  0  0  0  0
   15.5923    0.4592   -3.4008 C   0  0  0  0  0  2  0  0  0  0  0  0
   18.3272    1.3820   -0.6207 C   0  0  0  0  0  2  0  0  0  0  0  0
   22.4178   -0.5082    2.7581 C   0  0  0  0  0  1  0  0  0  0  0  0
   19.4114    0.4092    1.3352 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6434   -0.8137   -1.5503 C   0  0  0  0  0  2  0  0  0  0  0  0
    9.5143   -2.4595   -1.1152 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0823   -2.0984   -1.1646 C   0  0  0  0  0  2  0  0  0  0  0  0
   -1.7674    0.1034   -0.5669 C   0  0  0  0  0  2  0  0  0  0  0  0
   -1.1950    2.3058   -2.1515 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2403    2.2205   -2.6762 C   0  0  0  0  0  2  0  0  0  0  0  0
   16.0438    1.8582   -2.9218 C   0  0  0  0  0  2  0  0  0  0  0  0
   17.4543    2.3146   -1.4764 C   0  0  0  0  0  2  0  0  0  0  0  0
   -0.9611    1.3717   -0.9961 C   0  0  0  0  0  2  0  0  0  0  0  0
    2.6706    2.2150   -2.0921 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0642   -0.8842    1.6020 C   0  0  0  0  0  3  0  0  0  0  0  0
   -1.4394    3.7858   -1.7196 C   0  0  0  0  0  1  0  0  0  0  0  0
    3.7646    2.2230   -1.5943 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9106    1.1941   -1.0104 C   0  0  0  0  0  3  0  0  0  0  0  0
   14.4081   -2.6222    1.2199 C   0  0  0  0  0  3  0  0  0  0  0  0
   19.4730   -0.7576   -0.6412 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9987   -0.4162    0.3951 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1476   -1.5885    0.3723 C   0  0  0  0  0  3  0  0  0  0  0  0
    5.0373    2.2783   -0.9580 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1742    1.1830   -0.3727 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9207   -1.8828    0.7683 C   0  0  0  0  0  2  0  0  0  0  0  0
   12.9439   -3.0414    1.1540 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8053   -1.4519    1.9394 C   0  0  0  0  0  2  0  0  0  0  0  0
    5.4030    3.4038   -0.2429 C   0  0  0  0  0  3  0  0  0  0  0  0
    7.5540    2.3569    0.3114 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1354   -0.3236    2.7517 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3299   -3.0132   -0.0926 C   0  0  0  0  0  1  0  0  0  0  0  0
    6.6501    3.4350    0.3723 C   0  0  0  0  0  3  0  0  0  0  0  0
    9.1095    3.7206    1.4598 C   0  0  0  0  0  1  0  0  0  0  0  0
  -18.0305   -1.7147   -0.7679 O   0  0  0  0  0  0  0  0  0  0  0  0
  -15.5572   -7.3088    1.3199 O   0  0  0  0  0  0  0  0  0  0  0  0
  -16.5104   -2.4164   -2.3461 N   0  0  0  0  0  1  0  0  0  0  0  0
  -13.9613   -4.2066   -0.4770 O   0  0  0  0  0  0  0  0  0  0  0  0
  -16.8063   -5.3137    1.3920 N   0  0  0  0  0  2  0  0  0  0  0  0
  -13.9134   -4.6229    1.8074 N   0  0  0  0  0  2  0  0  0  0  0  0
  -12.6923   -0.2950    1.4657 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3134   -3.5574    1.8693 O   0  0  0  0  0  0  0  0  0  0  0  0
  -14.7875    6.2957   -3.1559 O   0  0  0  0  0  0  0  0  0  0  0  0
  -14.1526    4.4015   -1.9524 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1614   -0.6843    1.2221 N   0  0  0  0  0  0  0  0  0  0  0  0
  -13.3880    7.8826   -0.8624 N   0  0  0  0  0  3  0  0  0  0  0  0
   -8.1499    1.3924    1.6698 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8224   -0.5801    1.6800 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.5261   -2.6935    0.5314 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3453    1.3289    2.1355 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9657   -0.5823   -1.1439 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0911   -3.4676   -1.4999 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.5968    2.9026   -2.3141 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3455   -3.4042    0.6223 N   0  0  0  0  0  2  0  0  0  0  0  0
   15.3399   -0.8239   -3.6287 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.0125    0.3938    0.0069 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1305   -2.0710    1.5873 N   0  0  0  0  0  2  0  0  0  0  0  0
   -0.1433    2.2267   -3.1846 N   0  0  0  0  0  2  0  0  0  0  0  0
   20.7906   -1.2238    3.0917 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.9722   -0.0120   -0.5265 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8082   -1.5990   -0.0045 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.4268   -1.0155   -1.8389 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.5432   -3.2089    0.0736 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.1618    0.1675    1.4686 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6192   -4.1535    0.7489 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1605    0.1460    3.7349 N   0  0  0  0  0  1  0  0  0  0  0  0
    8.8295    2.4934    0.8148 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.2211    0.2464    2.7068 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  1 78  2  0
  1 80  1  0
  3  6  1  0
  3 79  2  0
  3 82  1  0
  4  2  1  0
  4  5  1  0
  4 82  1  0
  5 81  2  0
  5 83  1  0
  7 10  1  0
  7 11  1  0
  8 83  1  0
  8 85  1  0
  9 87  1  0
 10 11  1  0
 11 84  1  0
 12 13  2  0
 12 16  1  0
 13 19  1  0
 14 16  1  0
 14 18  1  1
 14 25  1  0
 14 84  1  0
 15 22  1  0
 15 86  2  0
 15 87  1  0
 16 20  2  0
 17 23  2  0
 17 87  1  0
 18 85  1  0
 19 21  2  0
 20 21  1  0
 22 26  2  0
 22 89  1  0
 23 26  1  0
 23 27  1  0
 24 27  2  0
 24 28  1  0
 25 28  2  0
 25 88  1  0
 26 29  1  0
 27 30  1  0
 28 31  1  0
 29 34  2  0
 30 35  2  0
 31 35  1  0
 31 90  2  0
 32 88  2  0
 32 90  1  0
 32 91  1  0
 33 36  1  0
 33 91  1  0
 34 89  1  0
 36 38  1  0
 37 40  1  0
 37 91  1  0
 38 40  1  0
 38 94  1  0
 39 41  1  0
 39 94  1  0
 41 53  1  0
 42 51  1  0
 42 92  2  0
 42 97  1  0
 43 51  1  0
 43 98  1  0
 44 49  1  0
 44 50  1  0
 45 55  1  0
 45 98  1  0
 46 56  1  0
 46 99  1  0
 47102  1  0
 48 59  1  0
 48 93  2  0
 48 99  1  0
 49103  1  0
 50 95  2  0
 50104  1  0
 52 57  1  0
 52 94  1  0
 53 57  1  0
 53 60  1  0
 53101  1  0
 54 58  1  0
 54101  1  0
 55 96  1  0
 56 96  1  0
 58 61  3  0
 59 66  1  0
 59102  1  0
 61 67  1  0
 62 67  2  0
 62 68  1  0
 63 70  1  0
 63 71  1  0
 63 97  1  0
 64 66  1  0
 64 99  1  0
 64105  2  0
 65103  1  0
 65104  1  0
 65107  2  0
 66106  1  0
 67 72  1  0
 68 73  2  0
 68103  1  0
 69100  1  0
 69104  1  0
 70100  1  0
 70108  2  0
 71 74  1  0
 72 76  2  0
 73 76  1  0
 73110  1  0
 74109  1  0
 74111  2  0
 75106  1  0
 77110  1  0
M  RAD  8   2   3   4   2   6   2   7   3   8   3   9   2  10   3  11   2
M  RAD  8  12   2  13   2  17   2  18   3  19   2  20   2  21   2  24   2
M  RAD  8  29   2  30   2  33   3  34   2  35   2  36   3  37   3  38   2
M  RAD  8  39   3  40   3  41   3  43   3  44   3  45   3  46   3  47   2
M  RAD  8  49   3  51   3  52   3  54   3  55   3  56   3  57   3  59   2
M  RAD  8  60   2  62   2  63   2  66   2  69   3  71   3  72   2  75   2
M  RAD  8  76   2  77   2  80   3  82   2  83   2  89   2  97   2 100   2
M  RAD  2 101   2 109   3
M  END
$$$$
