TJL0390
     RDKit          3D

103107  0  0  1  0  0  0  0  0999 V2000
  -12.3533    0.1610   -2.4524 C   0  0  0  0  0  2  0  0  0  0  0  0
   -8.3210   -2.4782    3.9848 C   0  0  0  0  0  1  0  0  0  0  0  0
   -6.1823   -1.3717    4.7345 C   0  0  0  0  0  2  0  0  0  0  0  0
  -16.0977   -0.1592   -2.4267 C   0  0  0  0  0  3  0  0  0  0  0  0
   -7.2515   -1.3109    3.7827 C   0  0  0  0  0  3  0  0  0  0  0  0
   -5.2348   -1.4645    5.9578 C   0  0  0  0  0  1  0  0  0  0  0  0
  -13.7609   -0.3970    2.2622 C   0  0  0  0  0  1  0  0  0  0  0  0
  -11.6281   -0.6396   -1.3662 C   0  0  0  0  0  2  0  0  0  0  0  0
  -12.4104    1.2211   -1.3450 C   0  0  0  0  0  2  0  0  0  0  0  0
   -3.1461   -2.0958    2.5447 C   0  0  0  0  0  1  0  0  0  0  0  0
   -4.5165   -3.1118    0.7133 C   0  0  0  0  0  1  0  0  0  0  0  0
  -15.7634    1.1429   -2.1926 C   0  0  0  0  0  3  0  0  0  0  0  0
   12.0306   -3.3415   -3.2547 C   0  0  0  0  0  1  0  0  0  0  0  0
   13.4270   -2.1190   -5.1226 C   0  0  0  0  0  1  0  0  0  0  0  0
    2.5312   -0.1892   -2.2344 C   0  0  0  0  0  3  0  0  0  0  0  0
   -1.2795   -1.4641    0.1935 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7796   -1.4353   -1.0072 C   0  0  0  0  0  2  0  0  0  0  0  0
   -3.5339   -1.8289    1.0180 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6401   -0.0478    3.1320 C   0  0  0  0  0  3  0  0  0  0  0  0
   -9.8516   -0.2638    1.8680 C   0  0  0  0  0  2  0  0  0  0  0  0
  -11.8907    1.0082   -0.0292 C   0  0  0  0  0  3  0  0  0  0  0  0
  -16.5170    0.6633   -0.1702 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4811    1.5456    1.7348 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.7506    1.0980    1.7434 C   0  0  0  0  0  3  0  0  0  0  0  0
   12.3782   -1.9344   -3.9287 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.8758   -0.0150   -2.6465 C   0  0  0  0  0  3  0  0  0  0  0  0
    2.1753   -1.1662   -1.3073 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3605   -0.4179    0.8820 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0324    0.3603    2.8590 C   0  0  0  0  0  3  0  0  0  0  0  0
  -10.5645   -0.9633    0.8330 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4083    0.5820    0.5875 C   0  0  0  0  0  3  0  0  0  0  0  0
  -12.5121    1.6138    1.1404 C   0  0  0  0  0  3  0  0  0  0  0  0
  -15.0048    1.9948    1.7992 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.8816    0.7704    1.2168 C   0  0  0  0  0  3  0  0  0  0  0  0
   14.8220    4.5182   -1.3119 C   0  0  0  0  0  1  0  0  0  0  0  0
   13.4840    0.2519   -2.4739 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6430   -0.6944   -3.6176 C   0  0  0  0  0  3  0  0  0  0  0  0
    6.7105    0.2858   -3.2602 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9153   -0.8381   -2.1860 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1934   -1.9625   -0.8010 C   0  0  0  0  0  3  0  0  0  0  0  0
   -7.0984    0.9413   -0.6453 C   0  0  0  0  0  3  0  0  0  0  0  0
  -20.4070   -0.4980    1.5548 C   0  0  0  0  0  3  0  0  0  0  0  0
   -6.5212    1.7542    4.3158 C   0  0  0  0  0  1  0  0  0  0  0  0
  -18.0543    0.1269    1.7227 C   0  0  0  0  0  2  0  0  0  0  0  0
   14.8416    3.7373   -2.6585 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2364    1.5546   -2.0830 C   0  0  0  0  0  3  0  0  0  0  0  0
   10.2640   -0.6020   -4.3256 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9742    0.0001   -4.1610 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.5317   -1.7960   -1.2330 C   0  0  0  0  0  3  0  0  0  0  0  0
  -21.5374   -1.1554    2.0719 C   0  0  0  0  0  3  0  0  0  0  0  0
  -19.2090   -0.5398    2.2498 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4103    1.7893   -0.6494 C   0  0  0  0  0  1  0  0  0  0  0  0
   -6.8956    0.2498   -2.0233 C   0  0  0  0  0  1  0  0  0  0  0  0
  -10.4354    1.2933    4.4119 C   0  0  0  0  0  1  0  0  0  0  0  0
  -11.1176    3.4435    1.3856 C   0  0  0  0  0  1  0  0  0  0  0  0
    7.7853    0.2122   -5.5904 C   0  0  0  0  0  2  0  0  0  0  0  0
   15.2438    1.4598   -1.0398 C   0  0  0  0  0  2  0  0  0  0  0  0
  -21.4575   -1.8150    3.2911 C   0  0  0  0  0  3  0  0  0  0  0  0
  -19.1315   -1.1794    3.4851 C   0  0  0  0  0  3  0  0  0  0  0  0
   21.2837   -2.3451    6.5462 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7991   -0.6029    6.4647 C   0  0  0  0  0  3  0  0  0  0  0  0
   16.3510    1.3392    0.0822 C   0  0  0  0  0  2  0  0  0  0  0  0
    7.4961    0.4339   -7.1226 C   0  0  0  0  0  2  0  0  0  0  0  0
  -20.2579   -1.8264    4.0043 C   0  0  0  0  0  3  0  0  0  0  0  0
   20.0636   -0.3873    5.1320 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4756    1.1874    1.1755 C   0  0  0  0  0  2  0  0  0  0  0  0
    7.2059    0.6621   -8.6755 C   0  0  0  0  0  2  0  0  0  0  0  0
   20.9752   -1.2399    4.5712 C   0  0  0  0  0  3  0  0  0  0  0  0
   19.4050    0.7103    4.4230 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6474    1.0156    2.2211 C   0  0  0  0  0  2  0  0  0  0  0  0
    6.9125    2.0095  -10.6334 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8506   -0.8320    1.1551 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4336    2.7583    1.5544 O   0  0  0  0  0  0  0  0  0  0  0  0
  -16.7901   -0.8363   -1.0349 S   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7035   -0.5770    0.7091 N   0  0  0  0  0  2  0  0  0  0  0  0
  -16.1444    1.3865    2.1632 N   0  0  0  0  0  2  0  0  0  0  0  0
  -11.3302   -0.2686   -0.0941 N   0  0  0  0  0  0  0  0  0  0  0  0
  -15.9862    1.6083   -0.9239 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.0798   -0.8079   -2.2267 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2491    1.4341   -3.2397 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5096   -1.8121   -0.9147 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4869   -1.9951    0.0320 N   0  0  0  0  0  2  0  0  0  0  0  0
   -6.6628    0.9668    3.0163 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.1887    2.6280   -2.9304 N   0  0  0  0  0  2  0  0  0  0  0  0
    9.2178   -0.1936   -3.5725 N   0  0  0  0  0  2  0  0  0  0  0  0
   -3.8174    0.7005    0.9479 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4523    1.5561    3.4183 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3910   -2.1785    0.7552 O   0  0  0  0  0  0  0  0  0  0  0  0
  -14.8987    3.2072    1.5942 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4373    2.9927    1.1971 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2119   -0.8235   -2.6358 N   0  0  0  0  0  2  0  0  0  0  0  0
   12.2611    0.4114   -3.0306 N   0  0  0  0  0  2  0  0  0  0  0  0
   23.2696   -2.8012    8.4020 C   0  0  0  0  0  1  0  0  0  0  0  0
   21.9830   -3.7086    7.4725 S   0  0  0  0  0  0  0  0  0  0  0  0
   20.3873   -1.5729    7.2045 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.4633    4.4624   -3.4346 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1851   -1.1195   -5.4620 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.7814    0.8454    3.1462 N   0  0  0  0  0  2  0  0  0  0  0  0
   21.6132   -2.2348    5.2409 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9362    0.7780  -10.1228 N   0  0  0  0  0  2  0  0  0  0  0  0
   18.6454    1.4182    5.0900 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2568    3.1741   -9.8085 N   0  0  0  0  0  1  0  0  0  0  0  0
    6.6149    2.3057  -11.7891 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0
  1  9  1  0
  3  5  1  0
  3  6  1  0
  4 12  2  0
  4 74  1  0
  5  2  1  0
  5 19  1  0
  8 77  1  0
 10 18  1  0
 11 18  1  0
 12 78  1  0
 13 25  1  0
 14 25  1  0
 15 26  2  0
 15 27  1  0
 16 72  2  0
 16 81  1  0
 16 82  1  0
 17 27  1  0
 17 81  1  0
 18 28  1  0
 18 82  1  0
 19 29  1  0
 19 83  1  0
 20 30  1  0
 21  9  1  0
 21 32  1  0
 21 77  1  0
 22 34  1  0
 22 74  1  0
 22 78  2  0
 23 73  2  0
 23 83  1  0
 24  7  1  0
 24 32  1  0
 24 33  1  0
 26 39  1  0
 27 40  2  0
 28 75  1  0
 28 86  2  0
 29 20  1  0
 29 87  1  0
 30 77  1  0
 30 88  2  0
 31 23  1  0
 31 41  1  0
 31 75  1  0
 32 90  1  0
 33 76  1  0
 33 89  2  0
 34 44  1  0
 34 76  1  0
 35 45  1  0
 36 46  1  0
 36 79  2  0
 36 92  1  0
 37 47  1  0
 37 92  1  0
 37 25  1  0
 38 48  1  0
 38 80  2  0
 38 91  1  0
 39 49  2  0
 39 91  1  0
 40 49  1  0
 41 52  1  0
 41 53  1  0
 42 50  2  0
 42 51  1  0
 43 83  1  0
 44 51  1  0
 45 84  1  0
 45 96  2  0
 46 57  1  0
 46 84  1  0
 47 85  1  0
 47 97  2  0
 48 56  1  0
 48 85  1  0
 50 58  1  0
 51 59  2  0
 54 87  1  0
 55 90  1  0
 56 63  1  0
 57 62  1  0
 58 64  2  0
 59 64  1  0
 60 94  1  0
 60 95  2  0
 60 99  1  0
 61 65  2  0
 61 95  1  0
 62 66  1  0
 63 67  1  0
 65 68  1  0
 65 69  1  0
 66 70  1  0
 67100  1  0
 68 99  2  0
 69 98  1  0
 69101  2  0
 70 98  1  0
 71100  1  0
 71102  1  0
 71103  2  0
 93 94  1  0
M  RAD  8   1   3   2   2   3   3   4   2   5   2   6   2   7   2   8   3
M  RAD  8   9   3  10   2  11   2  12   2  13   2  14   2  15   2  17   3
M  RAD  8  19   2  20   3  21   2  24   2  25   2  26   2  29   2  31   2
M  RAD  8  32   2  34   2  35   2  37   2  40   2  41   2  42   2  43   2
M  RAD  8  44   3  46   2  48   2  49   2  50   2  52   2  53   2  54   2
M  RAD  8  55   2  56   3  57   3  58   2  59   2  61   2  62   3  63   3
M  RAD  8  64   2  66   3  67   3  68   2  70   3  75   2  76   2  82   2
M  RAD  8  84   2  85   2  91   2  92   2  93   2  98   2 100   2 102   3
M  END
$$$$
