LYADC000135
     RDKit          3D

116124  0  0  1  0  0  0  0  0999 V2000
   -6.3528   -2.6201    6.2689 C   0  0  0  0  0  2  0  0  0  0  0  0
   -3.9526   -3.4395    5.7326 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3833   -3.1193    5.3808 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2858   -2.4362    5.1766 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4816   -1.2319   -9.8445 C   0  0  0  0  0  1  0  0  0  0  0  0
   -1.6649   -1.2635   -7.5311 C   0  0  0  0  0  1  0  0  0  0  0  0
    3.8139    3.2712   -2.8075 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.4592    3.0020   -0.4037 C   0  0  0  0  0  2  0  0  0  0  0  0
    3.8659    1.8259    1.6025 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7215    0.7897    3.6534 C   0  0  0  0  0  2  0  0  0  0  0  0
    2.2332   -5.5315    5.3175 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4272   -0.6942   -8.3353 C   0  0  0  0  0  3  0  0  0  0  0  0
    2.9304    3.2458   -1.7298 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0514   -0.3169    4.5743 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3308    3.4756   -4.1157 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.0698   -2.4408    4.8793 C   0  0  0  0  0  2  0  0  0  0  0  0
    3.1993   -4.5041    4.8785 C   0  0  0  0  0  2  0  0  0  0  0  0
   -1.8841   -4.3323    4.5551 C   0  0  0  0  0  2  0  0  0  0  0  0
   -5.9410   -3.3799    4.1718 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4738   -3.2261    3.9932 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.6900   -4.0421    3.3730 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0715   -4.5947    3.9931 C   0  0  0  0  0  2  0  0  0  0  0  0
    1.0559   -3.0499   -4.5847 C   0  0  0  0  0  2  0  0  0  0  0  0
    0.7972   -5.8729    3.5457 C   0  0  0  0  0  3  0  0  0  0  0  0
   -4.9646   -3.8135    3.2400 C   0  0  0  0  0  3  0  0  0  0  0  0
   -4.0092    4.6999    7.5681 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7109    2.6888    7.3068 C   0  0  0  0  0  2  0  0  0  0  0  0
    0.0996   -0.7110    4.5822 C   0  0  0  0  0  2  0  0  0  0  0  0
    0.3101   -1.6072    2.5671 C   0  0  0  0  0  2  0  0  0  0  0  0
    0.6302   -3.0066   -2.4145 C   0  0  0  0  0  2  0  0  0  0  0  0
    2.0763   -2.0522   -7.2325 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7755   -0.1131   -7.7511 C   0  0  0  0  0  3  0  0  0  0  0  0
    0.4584    4.1557   -6.2043 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9642    3.6977   -4.4062 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6009    3.5807   -1.9699 C   0  0  0  0  0  3  0  0  0  0  0  0
   -1.5297   -4.8486    3.2782 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0484    5.3229    6.6717 C   0  0  0  0  0  2  0  0  0  0  0  0
   -1.4639    1.8772    6.8323 C   0  0  0  0  0  2  0  0  0  0  0  0
   -0.2552    0.4127    5.6436 C   0  0  0  0  0  2  0  0  0  0  0  0
    0.0778   -1.5544    1.0233 C   0  0  0  0  0  2  0  0  0  0  0  0
    0.2967   -2.1980   -1.1301 C   0  0  0  0  0  2  0  0  0  0  0  0
    1.4698   -2.4029   -5.9504 C   0  0  0  0  0  2  0  0  0  0  0  0
    0.9261    1.3980   -8.1096 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0577    3.4763   -7.5784 C   0  0  0  0  0  3  0  0  0  0  0  0
    1.1251    3.8057   -3.2921 C   0  0  0  0  0  3  0  0  0  0  0  0
    1.7700   -6.5931    2.8042 C   0  0  0  0  0  2  0  0  0  0  0  0
   -0.4382   -5.5111    2.7464 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6654   -4.6375    2.4876 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6992   -6.0241    4.0643 C   0  0  0  0  0  1  0  0  0  0  0  0
   -0.7113    4.2258   -8.5666 C   0  0  0  0  0  2  0  0  0  0  0  0
    1.6341   -6.9443    1.3632 C   0  0  0  0  0  2  0  0  0  0  0  0
   -0.5258   -5.8693    1.3221 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4622    5.0526   -9.6843 C   0  0  0  0  0  2  0  0  0  0  0  0
   -1.7220   -5.5365    0.6221 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4990   -6.5955    0.5759 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7542    6.1950  -12.6019 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3290   -6.9856   -0.7553 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2022    5.9089  -10.7927 C   0  0  0  0  0  2  0  0  0  0  0  0
   -1.8222   -5.8880   -0.7146 C   0  0  0  0  0  3  0  0  0  0  0  0
    1.2989   -7.9896   -1.4723 C   0  0  0  0  0  1  0  0  0  0  0  0
   -0.8363   -6.5856   -1.4027 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5945   -3.4047    6.9113 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1776    0.8722    1.2489 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6118   -6.3822    6.1326 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6091   -2.2577    6.3735 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0056   -0.9620    5.1205 N   0  0  0  0  0  2  0  0  0  0  0  0
    4.1716   -3.6897    4.4166 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4797   -2.0782    5.1376 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1507   -3.8627    4.6534 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9102    5.4392    7.9695 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8074   -2.9146   -7.7268 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1623    5.1419   -5.8000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0661    2.9217    0.7982 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5576    1.9871    2.7593 N   0  0  0  0  0  2  0  0  0  0  0  0
    0.9791   -5.4658    4.8171 N   0  0  0  0  0  2  0  0  0  0  0  0
   -0.1043    2.1078   -7.6143 N   0  0  0  0  0  2  0  0  0  0  0  0
   -2.1687    5.9395    5.8726 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2730    1.2822    6.6632 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2373   -0.4901    4.8416 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2738   -1.3818   -0.2516 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7448   -2.6228    2.8468 O   0  0  0  0  0  1  0  0  0  0  0  0
   -3.8524    3.4079    7.9134 N   0  0  0  0  0  2  0  0  0  0  0  0
    0.7308   -3.7573   -3.5076 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9464   -0.8139   -7.7469 N   0  0  0  0  0  2  0  0  0  0  0  0
    0.5086   -1.7667    3.8679 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5979    3.6465   -5.7088 N   0  0  0  0  0  2  0  0  0  0  0  0
    1.8553    1.7950   -8.8197 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8079   -4.9658    1.1939 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5494    5.2929  -12.3955 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8225    6.7422  -11.8401 N   0  0  0  0  0  2  0  0  0  0  0  0
   -3.9348    6.8782  -13.8928 N   0  0  0  0  0  1  0  0  0  0  0  0
   -1.1031   -6.9938   -2.6498 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.5711   -1.6135   -3.3359 C   0  0  0  0  0  2  0  0  0  0  0  0
    5.3719   -1.4623   -3.5228 C   0  0  0  0  0  2  0  0  0  0  0  0
    0.5801    0.5523   -3.0554 C   0  0  0  0  0  2  0  0  0  0  0  0
   -0.9266    1.3411   -1.6427 C   0  0  0  0  0  2  0  0  0  0  0  0
    9.0755   -1.1749   -3.1795 C   0  0  0  0  0  2  0  0  0  0  0  0
    4.1215   -0.5611   -3.7736 C   0  0  0  0  0  2  0  0  0  0  0  0
    2.0129    0.2489   -3.5503 C   0  0  0  0  0  2  0  0  0  0  0  0
   -1.3102    1.9148   -0.2507 C   0  0  0  0  0  2  0  0  0  0  0  0
   -1.8699    3.4389    2.9507 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1953    3.4604    1.5846 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1157    4.4598    3.9120 C   0  0  0  0  0  2  0  0  0  0  0  0
   -2.8538    4.5555    0.9335 C   0  0  0  0  0  2  0  0  0  0  0  0
   -2.4779    5.6790    4.5427 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.4102    5.9990    1.0976 C   0  0  0  0  0  2  0  0  0  0  0  0
   -2.9917    6.7126    3.7025 C   0  0  0  0  0  2  0  0  0  0  0  0
   -3.4871    7.0008    2.2606 C   0  0  0  0  0  2  0  0  0  0  0  0
    6.4323   -2.2844   -3.4758 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7276    0.7668   -2.8291 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3964    1.4746    2.1898 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3609    2.2399    3.2853 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4751   -0.8889   -2.8658 N   0  0  0  0  0  2  0  0  0  0  0  0
   -1.6479    2.2850    1.1225 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1457    0.2264   -4.2463 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2324   -2.1420   -2.8043 C   0  0  0  0  0  1  0  0  0  0  0  0
  1  3  1  0
  1 65  1  0
  2  3  1  0
  2 62  2  0
  2 69  1  0
  3 19  2  0
  4 20  1  0
  4 65  1  0
  4 68  2  0
  5 12  1  0
  6 12  1  0
  7 13  2  0
  7 15  1  0
  8 13  1  0
  8 73  1  0
  9 63  2  0
  9 73  1  0
  9 74  1  0
 10 14  1  0
 10 74  1  0
 11 17  1  0
 11 64  2  0
 11 75  1  0
 13 35  1  0
 14 66  1  0
 14 79  2  0
 15 34  2  0
 16 66  1  0
 16 67  1  0
 17 67  1  0
 18 36  1  0
 18 69  1  0
 19 20  1  0
 19 25  1  0
 20 22  1  0
 20 81  1  6
 21 25  2  0
 21 48  1  0
 21 69  1  0
 22 49  1  0
 23 42  1  0
 23 83  1  0
 24 46  1  0
 24 47  1  0
 24 75  1  0
 26 37  1  0
 26 70  2  0
 26 82  1  0
 27 38  1  0
 27 82  1  0
 28 39  1  0
 28 85  1  0
 29 40  1  0
 29 85  1  0
 30 41  1  0
 30 83  1  0
 31 42  1  0
 31 71  2  0
 31 84  1  0
 32 12  1  0
 32 43  1  0
 32 84  1  0
 33 44  1  0
 33 72  2  0
 33 86  1  0
 34 45  1  0
 34 86  1  0
 35 45  2  0
 36 47  2  0
 36 48  1  0
 37 77  1  0
 38 78  1  0
 39 78  1  0
 40 80  1  0
 41 80  1  0
 43 76  1  0
 43 87  2  0
 44 50  1  0
 44 76  1  0
 46 51  1  0
 47 52  1  0
 48 88  2  0
 50 53  1  0
 51 55  1  0
 52 54  2  0
 52 55  1  0
 53 58  1  0
 54 59  1  0
 54 88  1  0
 55 57  2  0
 56 89  2  0
 56 90  1  0
 56 91  1  0
 57 60  1  0
 57 61  1  0
 58 90  1  0
 59 61  2  0
 61 92  1  0
 93 97  1  0
 93109  1  0
 94 98  1  0
 94109  1  0
 95 99  1  0
 95110  1  0
 96100  1  0
 96110  1  0
 97113  1  0
 98115  1  0
 99115  1  0
100114  1  0
101102  2  0
101103  1  0
101112  1  0
102104  1  0
102114  1  0
103105  1  0
104106  1  0
105107  1  0
105 77  1  0
106108  1  0
107108  1  0
111112  2  0
111114  1  0
113116  1  0
M  RAD  8   1   3   5   2   6   2   7   2   8   3  10   3  12   2  15   2
M  RAD  8  16   3  17   3  18   3  22   3  23   3  24   2  25   2  27   3
M  RAD  8  28   3  29   3  30   3  32   2  35   2  37   3  38   3  39   3
M  RAD  8  40   3  41   3  42   3  44   2  45   2  46   3  49   2  50   3
M  RAD  8  51   3  53   3  58   3  59   2  60   2  66   2  74   2  75   2
M  RAD  8  76   2  81   2  82   2  84   2  86   2  90   2  91   3  93   3
M  RAD  8  94   3  95   3  96   3  97   3  98   3  99   3 100   3 103   3
M  RAD  7 104   3 105   2 106   3 107   3 108   3 113   2 116   2
M  END
$$$$
