LYADC000460
     RDKit          3D

102112  0  0  1  0  0  0  0  0999 V2000
   -2.4049   -0.7056    3.6815 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2838   -0.2701    5.8521 C   0  0  0  0  0  2  0  0  0  0  0  0
    6.2174   -1.0152    4.1666 C   0  0  0  0  0  2  0  0  0  0  0  0
    5.0187   -3.0797    3.7745 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1247   -1.0330    5.1183 C   0  0  0  0  0  2  0  0  0  0  0  0
    4.1728   -6.2529    7.1424 C   0  0  0  0  0  1  0  0  0  0  0  0
    5.7802   -2.6833    5.9002 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4083   -6.5549    3.5922 C   0  0  0  0  0  1  0  0  0  0  0  0
   -0.4634   -1.4582    6.8344 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0305   -4.5735    4.7773 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6868    2.2208    4.0687 C   0  0  0  0  0  2  0  0  0  0  0  0
    4.4789   -4.1413    4.6243 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.9052   -3.8815    5.9582 C   0  0  0  0  0  3  0  0  0  0  0  0
    2.2430    1.0483    5.0637 C   0  0  0  0  0  2  0  0  0  0  0  0
    5.1806    2.0538    3.7790 C   0  0  0  0  0  2  0  0  0  0  0  0
   -3.9080    0.1605    2.0370 C   0  0  0  0  0  2  0  0  0  0  0  0
    0.3934   -2.5102    6.1151 C   0  0  0  0  0  3  0  0  0  0  0  0
    2.4508   -1.5113    6.5722 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2444   -3.5824    5.4373 C   0  0  0  0  0  2  0  0  0  0  0  0
    6.5159    0.4470    3.7517 C   0  0  0  0  0  2  0  0  0  0  0  0
    3.3935   -1.5820    7.3632 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4826   -4.5039    7.4713 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.3007   -5.1845    3.9940 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0176   -0.8582    7.8019 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7633   -2.5697    6.1359 N   0  0  0  0  0  2  0  0  0  0  0  0
   -0.6751   -4.9332    3.3977 N   0  0  0  0  0  1  0  0  0  0  0  0
   -3.6393   -0.1923    3.4693 N   0  0  0  0  0  2  0  0  0  0  0  0
    5.0118   -3.0737    2.5406 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5683   -2.3314    6.7716 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6957   -2.1906    4.5970 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7805   -1.4483    6.5450 N   0  0  0  0  0  2  0  0  0  0  0  0
   -1.5256   -0.9837    2.8803 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4455    1.7642    3.5255 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8707   -5.2690    5.3375 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3951    2.1742    4.3596 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2852   -0.8623   -1.3000 C   0  0  0  0  0  2  0  0  0  0  0  0
   -7.5324   -0.9454   -9.0440 C   0  0  0  0  0  1  0  0  0  0  0  0
   -7.0111   -1.0340   -0.6431 C   0  0  0  0  0  3  0  0  0  0  0  0
   -7.3564    0.2938   -1.0277 C   0  0  0  0  0  2  0  0  0  0  0  0
   -5.8834   -3.7175    0.5549 C   0  0  0  0  0  3  0  0  0  0  0  0
   -5.9331   -4.6414    1.5945 C   0  0  0  0  0  3  0  0  0  0  0  0
   -8.8073    0.7065   -7.4160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7152   -1.7793   -0.6906 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.6520   -0.2675   -6.9418 C   0  0  0  0  0  3  0  0  0  0  0  0
   -4.7394   -2.9496    0.3186 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3765   -0.5122    0.0268 C   0  0  0  0  0  2  0  0  0  0  0  0
   -4.8470   -4.8313    2.4265 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.6601   -4.1413    2.1627 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.6205   -3.2091    1.1181 C   0  0  0  0  0  3  0  0  0  0  0  0
   -8.5733    1.2940   -6.0481 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2909    0.0631   -5.7349 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9782   -0.7802   -3.7145 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.7268   -2.0460   -1.8625 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4445    1.0019   -5.2307 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1068   -0.5170   -5.0872 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9163   -1.5815   -3.1930 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5687    1.7511   -4.0826 C   0  0  0  0  0  3  0  0  0  0  0  0
   -4.1115   -1.0105   -5.9313 C   0  0  0  0  0  3  0  0  0  0  0  0
   -2.9491   -2.0429   -4.0915 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7671   -3.1814   -2.4949 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1609   -3.4328   -0.9609 C   0  0  0  0  0  2  0  0  0  0  0  0
   -8.7355    2.4589   -4.2405 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.0497   -1.7229   -5.4224 C   0  0  0  0  0  3  0  0  0  0  0  0
    1.6366   -2.9241   -0.8877 C   0  0  0  0  0  2  0  0  0  0  0  0
    2.5228   -2.9002   -2.0193 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.5979   -1.6973   -2.1535 C   0  0  0  0  0  2  0  0  0  0  0  0
    0.4029   -4.0526   -3.1848 C   0  0  0  0  0  2  0  0  0  0  0  0
    1.8251   -3.4879   -3.1611 C   0  0  0  0  0  2  0  0  0  0  0  0
    5.2882   -1.1290   -3.4487 C   0  0  0  0  0  2  0  0  0  0  0  0
    3.3623    7.3287   -1.2625 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5136   -3.7233   -3.0964 C   0  0  0  0  0  2  0  0  0  0  0  0
    5.3765   -1.7621   -4.7983 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4343   -0.2685   -5.1981 C   0  0  0  0  0  2  0  0  0  0  0  0
    5.5805    7.2177   -0.3121 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0547   -3.1896   -4.4454 C   0  0  0  0  0  2  0  0  0  0  0  0
    2.6753    0.8491   -4.4521 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1969    1.8054   -3.8801 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6555    3.8953   -2.7115 C   0  0  0  0  0  3  0  0  0  0  0  0
    5.7478    5.9306   -0.9160 C   0  0  0  0  0  2  0  0  0  0  0  0
    6.7803   -1.6815   -5.4730 C   0  0  0  0  0  1  0  0  0  0  0  0
    2.3196    5.2055   -2.2731 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7283    2.9915   -3.2134 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5935    5.3125   -1.5937 C   0  0  0  0  0  2  0  0  0  0  0  0
    0.9816    5.5739   -2.4193 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3898    3.3322   -3.2132 C   0  0  0  0  0  3  0  0  0  0  0  0
    0.0340    4.6154   -2.7753 C   0  0  0  0  0  3  0  0  0  0  0  0
   -0.1173    7.4283   -3.2430 C   0  0  0  0  0  1  0  0  0  0  0  0
   -6.0379   -1.7223   -1.3498 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1305    0.5690    0.7819 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7875    0.8351   -8.1585 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6829   -0.1039   -7.8079 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6551   -2.8269   -1.5533 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3234    2.2390   -5.4207 N   0  0  0  0  0  3  0  0  0  0  0  0
   -1.9580   -2.8538   -3.7764 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6462   -3.9654   -2.1221 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3982    7.8263   -0.4866 N   0  0  0  0  0  2  0  0  0  0  0  0
    3.9979   -3.0458   -1.8536 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5255    8.1549   -1.6449 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5307    7.6692    0.3420 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3681   -1.2571   -5.7714 N   0  0  0  0  0  2  0  0  0  0  0  0
    3.4196    5.9680   -1.7191 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5299    6.8309   -2.1184 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 27  1  0
  1 32  2  0
  2 14  1  0
  2 18  1  0
  3 30  1  0
  4 30  1  0
  4 28  2  0
  5  1  1  0
  5 31  1  0
  6 22  1  0
  7 29  2  0
  7 30  1  0
  8 23  1  0
  9 24  2  0
  9 17  1  0
  9 31  1  0
 10 26  1  0
 10 34  2  0
 11 35  1  0
 12 23  1  0
 12  4  1  0
 13 22  1  0
 13  7  1  0
 13 12  1  0
 14 35  1  0
 15 11  1  0
 15 33  1  0
 16 27  1  0
 16 89  1  0
 17 25  1  0
 17 19  1  0
 18 21  2  0
 18 25  1  0
 19 10  1  0
 20  3  1  0
 20 33  1  0
 36 38  1  0
 36 39  1  0
 37 91  1  0
 38 39  1  0
 38 88  1  0
 40 41  2  0
 40 45  1  0
 41 47  1  0
 42 50  1  0
 42 90  2  0
 42 91  1  0
 43 45  1  0
 43 46  1  1
 43 53  1  0
 43 88  1  0
 44 51  2  0
 44 91  1  0
 45 49  2  0
 46 89  1  0
 47 48  2  0
 48 49  1  0
 50 54  2  0
 50 93  1  0
 51 54  1  0
 51 55  1  0
 52 55  2  0
 52 56  1  0
 53 56  2  0
 53 92  1  0
 54 57  1  0
 55 58  1  0
 56 59  1  0
 57 62  2  0
 58 63  2  0
 59 63  1  0
 59 94  2  0
 60 92  2  0
 60 94  1  0
 60 95  1  0
 61 64  1  0
 61 95  1  0
 62 93  1  0
 64 65  1  0
 65 68  1  0
 65 97  1  0
 66 69  1  0
 66 97  1  0
 67 68  1  0
 67 95  1  0
 69 72  1  0
 70 96  1  0
 70 98  2  0
 70101  1  0
 71 75  1  0
 71 97  1  0
 72 75  1  0
 72 80  1  0
 72100  1  0
 73 76  1  0
 73100  1  0
 74 79  1  0
 74 96  1  0
 74 99  2  0
 76 77  3  0
 77 82  1  0
 78 81  2  0
 78 82  1  0
 79 83  1  0
 81 84  1  0
 81101  1  0
 82 85  2  0
 83101  1  0
 84 86  2  0
 84102  1  0
 85 86  1  0
 87102  1  0
M  RAD  8   2   3   3   3   5   3   6   2   8   2  11   3  12   2  13   2
M  RAD  8  14   3  15   3  16   3  17   2  19   3  20   3  25   2  26   3
M  RAD  8  27   2  31   2  36   3  37   2  38   2  39   3  40   2  41   2
M  RAD  8  44   2  46   3  47   2  48   2  49   2  52   2  57   2  58   2
M  RAD  8  61   3  62   2  63   2  64   3  65   2  66   3  67   3  68   3
M  RAD  8  69   3  71   3  73   3  75   3  78   2  79   3  80   2  83   3
M  RAD  6  85   2  86   2  87   2  93   2  96   2 100   2
M  END
$$$$
