LYADC000440
     RDKit          3D

107118  0  0  1  0  0  0  0  0999 V2000
    9.6002   -3.3394   -5.2512 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0480   -1.5747   -2.9193 C   0  0  0  0  0  2  0  0  0  0  0  0
    9.7329    0.5043   -1.8913 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2351   -2.5169   -4.1172 C   0  0  0  0  0  2  0  0  0  0  0  0
    9.5495    1.1231   -0.5620 C   0  0  0  0  0  3  0  0  0  0  0  0
    7.3766   -3.3398   -6.1533 C   0  0  0  0  0  2  0  0  0  0  0  0
    8.4514   -0.9223   -0.6319 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0850    1.1017    0.2741 C   0  0  0  0  0  1  0  0  0  0  0  0
    8.6452    0.3040    0.1669 C   0  0  0  0  0  3  0  0  0  0  0  0
    5.9188   -3.5952   -6.1062 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7627   -3.0468   -5.0699 C   0  0  0  0  0  2  0  0  0  0  0  0
    8.3956    2.0233    2.2728 C   0  0  0  0  0  1  0  0  0  0  0  0
    2.2613   -3.0480   -4.9802 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5399    2.5301   -3.0765 C   0  0  0  0  0  3  0  0  0  0  0  0
   -1.1595    1.2327   -3.4338 C   0  0  0  0  0  3  0  0  0  0  0  0
   -0.8352    3.2191   -2.1009 C   0  0  0  0  0  3  0  0  0  0  0  0
    0.4883   -2.0452   -3.6745 C   0  0  0  0  0  3  0  0  0  0  0  0
   -0.6801   -3.0880   -3.6007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1216    0.5957   -2.7610 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2246    2.5906   -1.4527 C   0  0  0  0  0  3  0  0  0  0  0  0
    0.2380   -0.7194   -3.1503 C   0  0  0  0  0  2  0  0  0  0  0  0
    0.5792    1.2716   -1.7553 C   0  0  0  0  0  3  0  0  0  0  0  0
   -2.6565   -2.8094   -2.1804 C   0  0  0  0  0  2  0  0  0  0  0  0
   -3.3923   -2.9822   -0.8921 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3820   -3.6374    0.2220 C   0  0  0  0  0  2  0  0  0  0  0  0
   -4.6180   -7.6453    4.9955 C   0  0  0  0  0  2  0  0  0  0  0  0
   -4.1880  -11.8138    3.1840 C   0  0  0  0  0  1  0  0  0  0  0  0
   -4.0685   -6.3602    4.7116 C   0  0  0  0  0  3  0  0  0  0  0  0
   -4.2549   -6.6786    6.0974 C   0  0  0  0  0  2  0  0  0  0  0  0
   -2.9344   -3.5550    5.3632 C   0  0  0  0  0  3  0  0  0  0  0  0
   -2.5774   -2.6079    6.3076 C   0  0  0  0  0  3  0  0  0  0  0  0
   -6.2100  -11.7865    1.4756 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2338   -4.4169    3.3359 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.5221  -10.0433    1.6182 C   0  0  0  0  0  3  0  0  0  0  0  0
   -5.2360   -3.9645    2.3342 C   0  0  0  0  0  2  0  0  0  0  0  0
   -3.9293   -3.3210    4.3949 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2672   -1.3793    6.3575 C   0  0  0  0  0  3  0  0  0  0  0  0
   -4.5931   -2.0833    4.4636 C   0  0  0  0  0  3  0  0  0  0  0  0
   -4.2792   -1.1271    5.4353 C   0  0  0  0  0  3  0  0  0  0  0  0
   -6.7306  -10.8785    0.3818 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8200   -9.1157    0.7459 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0405   -6.8787    1.4919 C   0  0  0  0  0  3  0  0  0  0  0  0
   -2.9576   -4.8574    2.5418 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1143   -9.6533    0.0008 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9997   -7.9261    0.5608 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0068   -5.9061    1.6016 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8055   -9.1775   -1.0871 C   0  0  0  0  0  3  0  0  0  0  0  0
   -2.9089   -7.9590   -0.2974 C   0  0  0  0  0  3  0  0  0  0  0  0
   -1.8845   -5.9949    0.7801 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8357   -4.1860    1.8527 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1712   -2.1249    0.9904 C   0  0  0  0  0  2  0  0  0  0  0  0
   -7.8606  -10.0493   -1.2546 C   0  0  0  0  0  3  0  0  0  0  0  0
   -1.8896   -7.0022   -0.1931 C   0  0  0  0  0  3  0  0  0  0  0  0
    0.2316   -0.5854    1.2525 C   0  0  0  0  0  2  0  0  0  0  0  0
    0.4525   -2.5631    3.2334 C   0  0  0  0  0  2  0  0  0  0  0  0
    0.4930    0.0529    2.5440 C   0  0  0  0  0  3  0  0  0  0  0  0
    1.2989    1.9805    3.8627 C   0  0  0  0  0  2  0  0  0  0  0  0
    0.5457   -1.0257    3.5338 C   0  0  0  0  0  2  0  0  0  0  0  0
    1.0413    3.5229    4.0823 C   0  0  0  0  0  2  0  0  0  0  0  0
   -3.4059   13.8809   -1.4797 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1853    2.2328    1.6718 C   0  0  0  0  0  2  0  0  0  0  0  0
    0.9749    4.6146    3.0482 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5301    6.4601    2.2517 C   0  0  0  0  0  2  0  0  0  0  0  0
   -5.2802   14.5121   -0.0953 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9698    3.7882    1.8013 C   0  0  0  0  0  2  0  0  0  0  0  0
   -0.7949    7.5874    1.1968 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2574    5.5386    3.1868 C   0  0  0  0  0  1  0  0  0  0  0  0
   -0.9983    8.4512    0.3798 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1372   10.5079   -0.3417 C   0  0  0  0  0  3  0  0  0  0  0  0
   -5.0818   13.3096    0.6584 C   0  0  0  0  0  2  0  0  0  0  0  0
   -1.2117    9.4802   -0.5819 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4013   11.5289   -1.2842 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1621   12.2680    0.1289 C   0  0  0  0  0  2  0  0  0  0  0  0
   -0.5376    9.4543   -1.7937 C   0  0  0  0  0  3  0  0  0  0  0  0
   -1.7833   11.4315   -2.5458 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5254   12.1077   -4.8047 C   0  0  0  0  0  1  0  0  0  0  0  0
   -0.8312   10.4139   -2.7601 C   0  0  0  0  0  3  0  0  0  0  0  0
   10.6688   -3.9615   -5.1613 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4465    0.9640   -2.7726 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0292   -0.6936   -1.8781 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7159    2.2547   -0.0034 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.8567   -3.2402   -6.3525 N   0  0  0  0  0  2  0  0  0  0  0  0
    5.2820   -2.9864   -5.0945 N   0  0  0  0  0  2  0  0  0  0  0  0
    7.9625   -1.9488   -0.1729 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4926   -4.3229   -7.0053 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1292    0.3009    1.7935 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6658   -3.6794   -5.8524 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7993   -2.1975   -4.0471 N   0  0  0  0  0  2  0  0  0  0  0  0
   -0.5141   -4.2954   -3.8204 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8939   -2.4893   -3.4600 N   0  0  0  0  0  2  0  0  0  0  0  0
   -4.5415   -3.6720   -1.0101 N   0  0  0  0  0  2  0  0  0  0  0  0
   -2.9235   -2.4631    0.1229 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0873   -3.6237    1.3607 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9036   -5.4826    4.0847 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6582  -12.8867    1.8517 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0067  -11.2313    2.0631 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8400   -4.1015    2.7387 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8420  -11.0660   -0.3834 N   0  0  0  0  0  3  0  0  0  0  0  0
   -0.8156   -5.1963    0.9400 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2791   -3.3114    1.9355 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4490   14.7082   -1.1269 N   0  0  0  0  0  2  0  0  0  0  0  0
    1.4835    1.1340    2.6394 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5507   14.3054   -2.2577 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1564   15.2765    0.2991 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2543    5.4072    3.2588 N   0  0  0  0  0  2  0  0  0  0  0  0
   -3.3469   12.5579   -0.9002 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2399   12.2224   -3.5768 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0
  1 78  2  0
  1 82  1  0
  2  4  1  0
  2 80  1  0
  3  5  1  0
  3 79  2  0
  3 80  1  0
  5  9  1  0
  5 81  1  0
  6 10  1  0
  6 82  1  0
  7  9  1  0
  7 80  1  0
  7 84  2  0
  8 81  1  0
  9 86  1  0
 10 83  1  0
 10 85  2  0
 11 13  1  0
 11 83  1  0
 12 86  1  0
 13 87  2  0
 13 88  1  0
 14 15  2  0
 14 16  1  0
 15 19  1  0
 16 20  2  0
 17 18  1  0
 17 21  1  0
 17 88  1  0
 18 89  2  0
 18 90  1  0
 19 21  1  0
 19 22  2  0
 20 22  1  0
 23 24  1  0
 23 90  1  0
 24 91  1  0
 24 92  2  0
 25 91  1  0
 25 93  1  0
 26 28  1  0
 26 29  1  0
 27 96  1  0
 28 29  1  0
 28 94  1  0
 30 31  2  0
 30 36  1  0
 31 37  1  0
 32 40  1  0
 32 95  2  0
 32 96  1  0
 33 35  1  6
 33 36  1  0
 33 43  1  0
 33 94  1  0
 34 41  2  0
 34 96  1  0
 35 93  1  0
 36 38  2  0
 37 39  2  0
 38 39  1  0
 40 44  2  0
 40 98  1  0
 41 44  1  0
 41 45  1  0
 42 45  2  0
 42 46  1  0
 43 46  2  0
 43 97  1  0
 44 47  1  0
 45 48  1  0
 46 49  1  0
 47 52  2  0
 48 53  2  0
 49 53  1  0
 49 99  2  0
 50 97  2  0
 50 99  1  0
 50100  1  0
 51 54  1  0
 51100  1  0
 52 98  1  0
 54 56  1  0
 55 58  1  0
 55100  1  0
 56 58  1  0
 56102  1  0
 57 59  1  0
 57102  1  0
 59 62  1  0
 60101  1  0
 60103  2  0
 60106  1  0
 61 65  1  0
 61102  1  0
 62 65  1  0
 62 67  1  0
 62105  1  0
 63 66  1  0
 63105  1  0
 64 70  1  0
 64101  1  0
 64104  2  0
 66 68  3  0
 68 71  1  0
 69 71  2  0
 69 72  1  0
 70 73  1  0
 71 74  1  0
 72 75  2  0
 72106  1  0
 73106  1  0
 74 77  2  0
 75 77  1  0
 75107  1  0
 76107  1  0
M  RAD  8   2   3   4   3   5   2   6   3   8   2   9   2  11   3  12   2
M  RAD  8  14   2  15   2  16   2  17   2  20   2  21   3  22   2  23   3
M  RAD  8  25   3  26   3  27   2  28   2  29   3  30   2  31   2  34   2
M  RAD  8  35   3  37   2  38   2  39   2  42   2  47   2  48   2  51   3
M  RAD  8  52   2  53   2  54   3  55   3  56   2  57   3  58   3  59   3
M  RAD  8  61   3  63   3  65   3  67   2  69   2  70   3  73   3  74   2
M  RAD  8  76   2  77   2  82   2  83   2  88   2  90   2  91   2  98   2
M  RAD  2 101   2 105   2
M  END
$$$$
