TJL0414
     RDKit          3D

107111  0  0  1  0  0  0  0  0999 V2000
    1.9816    9.9677   -5.6209 C   0  0  0  0  0  1  0  0  0  0  0  0
    2.4662    7.0576   -0.2005 C   0  0  0  0  0  1  0  0  0  0  0  0
    5.5353    5.2588   -4.7228 C   0  0  0  0  0  3  0  0  0  0  0  0
    5.4080    6.6141   -4.3866 C   0  0  0  0  0  3  0  0  0  0  0  0
    2.4570    9.0380   -2.0322 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7755    7.8282   -1.4018 C   0  0  0  0  0  3  0  0  0  0  0  0
    5.7778    5.4223    2.6966 C   0  0  0  0  0  1  0  0  0  0  0  0
    4.4741    4.5800   -5.3135 C   0  0  0  0  0  3  0  0  0  0  0  0
    2.7482    9.4154   -4.3388 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.2144    7.2974   -4.6492 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0808    8.7609   -4.4336 C   0  0  0  0  0  3  0  0  0  0  0  0
    0.4144    7.4200   -1.7366 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.2765    5.2459   -5.5836 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.2623   -3.6224    1.9159 C   0  0  0  0  0  1  0  0  0  0  0  0
    2.6934   -4.3806    0.0374 C   0  0  0  0  0  1  0  0  0  0  0  0
    5.0341    4.1446   -0.9257 C   0  0  0  0  0  1  0  0  0  0  0  0
    4.9419    4.8442    1.5110 C   0  0  0  0  0  2  0  0  0  0  0  0
    3.1465    6.5985   -5.2206 C   0  0  0  0  0  3  0  0  0  0  0  0
   -1.5653    5.9055   -1.5660 C   0  0  0  0  0  2  0  0  0  0  0  0
    2.7735   -3.5647    1.3879 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.2465    4.2096    0.4269 C   0  0  0  0  0  3  0  0  0  0  0  0
   -0.1347    6.0760   -1.7151 C   0  0  0  0  0  3  0  0  0  0  0  0
   -2.4441    5.1828   -2.5876 C   0  0  0  0  0  2  0  0  0  0  0  0
   -2.5347   -1.8149   -3.8611 C   0  0  0  0  0  1  0  0  0  0  0  0
   -3.4814   -0.4120   -5.8348 C   0  0  0  0  0  1  0  0  0  0  0  0
   -4.8340   -0.9991    0.5967 C   0  0  0  0  0  3  0  0  0  0  0  0
   -0.6507   -3.1221    1.2701 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6887   -2.7433    1.9450 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.2753    1.1316    1.5415 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0597    3.3701    0.6623 C   0  0  0  0  0  3  0  0  0  0  0  0
    1.7620    3.9186   -1.4913 C   0  0  0  0  0  2  0  0  0  0  0  0
   -3.7594   -2.8335    1.9116 C   0  0  0  0  0  3  0  0  0  0  0  0
   -2.0636   -4.4123    2.7447 C   0  0  0  0  0  3  0  0  0  0  0  0
   -1.7045   -4.2512    8.1719 C   0  0  0  0  0  3  0  0  0  0  0  0
   -1.0896    4.8847   -3.2582 C   0  0  0  0  0  2  0  0  0  0  0  0
   -0.2754   -4.6372    8.4379 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6498   -1.7584   -4.9858 C   0  0  0  0  0  3  0  0  0  0  0  0
   -5.8374   -0.7173   -0.3305 C   0  0  0  0  0  3  0  0  0  0  0  0
   -4.7839   -2.2677    1.1178 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3608   -4.0350    2.2086 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1061   -1.8027    3.0665 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1416    0.2195    2.7133 C   0  0  0  0  0  3  0  0  0  0  0  0
    1.9628    3.1594   -0.2949 C   0  0  0  0  0  3  0  0  0  0  0  0
    1.1991    4.2711   -2.7744 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6530   -3.4942    6.9930 C   0  0  0  0  0  2  0  0  0  0  0  0
    3.0555   -4.9781    6.3889 C   0  0  0  0  0  2  0  0  0  0  0  0
    3.4889   -6.5657    3.9421 C   0  0  0  0  0  2  0  0  0  0  0  0
    1.3124   -7.7581    2.3478 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1283   -2.9870   -5.6376 C   0  0  0  0  0  3  0  0  0  0  0  0
   -7.8010   -2.2186   -2.8175 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7024   -1.6998   -0.8570 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6708   -3.2545    0.6704 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3552   -5.0795    1.8288 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2843    0.0799    3.5747 C   0  0  0  0  0  3  0  0  0  0  0  0
    0.8958   -1.5444   -0.0900 C   0  0  0  0  0  1  0  0  0  0  0  0
    2.8470    3.2127    3.0790 C   0  0  0  0  0  1  0  0  0  0  0  0
   -0.3218   -3.4922    6.4663 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8174   -4.4337    7.1253 C   0  0  0  0  0  2  0  0  0  0  0  0
    3.6823   -5.6962    5.1916 C   0  0  0  0  0  2  0  0  0  0  0  0
    2.4830   -7.2205    3.0075 C   0  0  0  0  0  2  0  0  0  0  0  0
   -5.6220   -3.1342   -5.7456 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8705   -2.0677   -4.0667 C   0  0  0  0  0  3  0  0  0  0  0  0
   -6.6325   -2.9852   -0.2995 C   0  0  0  0  0  3  0  0  0  0  0  0
    5.7539    0.4096    3.1010 C   0  0  0  0  0  1  0  0  0  0  0  0
    4.1507    0.3478    5.1299 C   0  0  0  0  0  1  0  0  0  0  0  0
   -0.0601    2.5974    0.6776 C   0  0  0  0  0  1  0  0  0  0  0  0
   -6.9432   -0.6809   -4.8546 C   0  0  0  0  0  1  0  0  0  0  0  0
    3.2867    9.6740   -1.3778 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9426    9.3663   -3.2334 N   0  0  0  0  0  2  0  0  0  0  0  0
   -0.3873    8.3758   -2.3727 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5018   -3.1817    0.3735 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5241    0.6485    0.4370 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0744    9.5813   -4.4513 O   0  0  0  0  0  1  0  0  0  0  0  0
    0.0884   -5.2584    9.4337 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9780   -0.5137    2.7355 N   0  0  0  0  0  2  0  0  0  0  0  0
    0.1659    5.2330   -2.8119 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5816   -2.4203    1.1381 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7727   -8.7457    2.8469 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7855   -2.9718   -2.8590 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8427   -3.7070    2.4931 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1088    2.5220    1.7838 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2572   -3.1826   -4.5547 N   0  0  0  0  0  2  0  0  0  0  0  0
    0.4891   -4.2098    7.3483 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6271   -2.2608    4.0725 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0646    2.1178   -0.0539 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4873    3.5387   -3.7275 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0181   -7.1007    1.2301 N   0  0  0  0  0  2  0  0  0  0  0  0
   -7.5773   -1.3265   -1.8269 N   0  0  0  0  0  2  0  0  0  0  0  0
   -5.5049   -4.6025    1.1423 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2461   -6.2847    2.0508 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0884   -3.0072    5.3698 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1826   -3.2208   -6.8489 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0746    9.1929   -1.4430 C   0  0  0  0  0  1  0  0  0  0  0  0
   -0.4101   -6.9972    0.9839 C   0  0  0  0  0  2  0  0  0  0  0  0
   -1.7782   -6.8019    0.2736 C   0  0  0  0  0  2  0  0  0  0  0  0
   -2.8380   -6.6234   -0.5288 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4193   -6.9777   -1.7334 C   0  0  0  0  0  2  0  0  0  0  0  0
   -1.7332   -7.4876   -3.0086 C   0  0  0  0  0  2  0  0  0  0  0  0
   -1.1029   -7.5962   -4.1803 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6798   -6.6967   -4.9873 C   0  0  0  0  0  2  0  0  0  0  0  0
   -2.4546   -5.7918   -5.9878 C   0  0  0  0  0  2  0  0  0  0  0  0
   -3.4467   -4.9678   -6.6847 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2354   -3.6581   -6.4703 N   0  0  0  0  0  2  0  0  0  0  0  0
   -4.2765   -5.5392   -7.3892 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0366   -5.2098    4.1202 C   0  0  0  0  0  1  0  0  0  0  0  0
   -2.6690   -3.8080    9.5237 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6386   -5.3351    9.6445 C   0  0  0  0  0  1  0  0  0  0  0  0
  3  4  2  0
  3  8  1  0
  4 10  1  0
  5  6  1  0
  5 68  2  0
  5 69  1  0
  6  2  1  0
  6 12  1  0
  7 17  1  0
  8 13  2  0
  9  1  1  0
  9 11  1  0
  9 69  1  0
 10 11  1  0
 10 18  2  0
 11 73  1  0
 12 70  1  0
 13 18  1  0
 14 20  1  0
 15 20  1  0
 17 21  1  0
 19 23  1  0
 21 16  1  0
 21 30  1  0
 22 76  1  0
 22 12  1  0
 22 19  1  0
 23 35  1  0
 24 37  1  0
 25 37  1  0
 26 38  2  0
 26 39  1  0
 27 71  2  0
 27 77  1  0
 27 80  1  0
 28 20  1  0
 28 41  1  0
 28 77  1  0
 29 72  2  0
 29 81  1  0
 30 43  1  0
 30 81  1  0
 31 44  1  0
 32 39  1  0
 32 40  2  0
 33 40  1  0
 33 80  1  0
 33105  1  0
 34 36  1  0
 34 45  1  0
 34106  1  0
 35 76  1  0
 36 74  2  0
 36 83  1  0
 37 49  1  0
 38 51  1  0
 39 52  2  0
 40 53  1  0
 41 75  1  0
 41 84  2  0
 42 29  1  0
 42 54  1  0
 42 75  1  0
 43 31  1  0
 43 85  1  0
 44 76  1  0
 44 86  2  0
 45 57  1  0
 46 58  1  0
 46 59  1  0
 47 59  1  0
 47 60  1  0
 48 60  1  0
 48 78  2  0
 48 87  1  0
 49 61  1  0
 49103  1  0
 50 62  1  0
 50 79  2  0
 50 88  1  0
 51 63  2  0
 51 88  1  0
 52 63  1  0
 52 89  1  0
 53 89  1  0
 53 90  2  0
 54 64  1  0
 54 65  1  0
 55 77  1  0
 56 81  1  0
 57 83  1  0
 57 91  2  0
 58 83  1  0
 61 82  1  0
 61 92  2  0
 62 67  1  0
 62 82  1  0
 66 85  1  0
 70 93  1  0
 87 94  1  0
 94 95  1  0
 95 96  1  0
 96 97  1  0
 97 98  1  0
 98 99  1  0
 99100  1  0
100101  1  0
101102  1  0
102103  1  0
102104  2  0
106107  1  0
M  RAD  8   1   2   2   2   3   2   4   2   6   2   7   2   8   2   9   2
M  RAD  8  11   2  12   2  13   2  14   2  15   2  16   2  17   3  18   2
M  RAD  8  19   3  20   2  21   2  22   2  23   3  24   2  25   2  26   2
M  RAD  8  28   2  30   2  31   3  32   2  33   2  34   2  35   3  37   2
M  RAD  8  38   2  42   2  43   2  45   3  46   3  47   3  49   2  54   2
M  RAD  8  55   2  56   2  58   3  59   3  60   3  62   2  63   2  64   2
M  RAD  8  65   2  66   2  67   2  69   2  73   2  75   2  82   2  87   2
M  RAD  8  88   2  93   2  94   3  95   3  97   3  98   3 100   3 101   3
M  RAD  3 103   2 105   2 107   2
M  END
$$$$
