TJL0173
     RDKit          3D

107117  0  0  1  0  0  0  0  0999 V2000
    4.8718    2.7205   -0.0816 C   0  0  0  0  0  3  0  0  0  0  0  0
    5.5109    1.4668    0.4294 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2102   -5.7530   -3.4306 C   0  0  0  0  0  1  0  0  0  0  0  0
    5.5383    3.0573   -1.2625 C   0  0  0  0  0  2  0  0  0  0  0  0
    8.5912   -0.8675   -0.2125 C   0  0  0  0  0  2  0  0  0  0  0  0
    8.5417   -4.0007   -1.4169 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5226   -4.7843   -2.3666 C   0  0  0  0  0  3  0  0  0  0  0  0
    2.4780   -2.9722   -0.4844 C   0  0  0  0  0  3  0  0  0  0  0  0
    6.5860    2.1158   -1.4712 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4465    0.1635   -0.3104 C   0  0  0  0  0  2  0  0  0  0  0  0
    9.7532   -1.7353   -0.2149 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1270   -3.9178    0.0064 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.9527   -4.7266   -2.3860 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1676   -3.4176   -1.6222 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1763   -2.4687   -0.5540 C   0  0  0  0  0  3  0  0  0  0  0  0
    9.1730   -5.2029    0.9467 C   0  0  0  0  0  1  0  0  0  0  0  0
    2.5165   -3.2799   -2.8495 C   0  0  0  0  0  3  0  0  0  0  0  0
    0.5563   -2.3884   -1.7882 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2148   -2.7711   -2.9392 C   0  0  0  0  0  3  0  0  0  0  0  0
   -0.8414   -2.0942   -1.8768 C   0  0  0  0  0  2  0  0  0  0  0  0
   -5.2842   -1.2115   10.0318 C   0  0  0  0  0  3  0  0  0  0  0  0
   -4.2562   -0.5285    9.3680 C   0  0  0  0  0  3  0  0  0  0  0  0
   -1.5947   -6.0628   -3.4453 C   0  0  0  0  0  2  0  0  0  0  0  0
    0.7026   -6.1162   -2.4362 C   0  0  0  0  0  3  0  0  0  0  0  0
   -2.7463   -3.1813   -2.3040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4355   -0.5538   10.4531 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7157   -7.2630   -1.4261 C   0  0  0  0  0  2  0  0  0  0  0  0
   -0.2797   -6.5765   -3.2816 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4041    0.8556    9.1509 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3270    1.4933    7.8679 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8900    6.4666   -2.6425 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1899    3.6113   -3.2500 C   0  0  0  0  0  2  0  0  0  0  0  0
   -4.1882   -1.1450   -3.6620 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.8411   -7.3774   -0.3778 C   0  0  0  0  0  2  0  0  0  0  0  0
   -0.7893    5.9939    4.1244 C   0  0  0  0  0  3  0  0  0  0  0  0
   -1.0042    6.6831    2.9261 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.1696   -4.6297   -4.2049 C   0  0  0  0  0  3  0  0  0  0  0  0
   -6.5895    0.8120   10.1884 C   0  0  0  0  0  3  0  0  0  0  0  0
   -1.6233    2.6731    5.7441 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.7407   -8.8124    2.8445 C   0  0  0  0  0  2  0  0  0  0  0  0
    4.2918   -8.0721    1.6202 C   0  0  0  0  0  2  0  0  0  0  0  0
   -5.5677    1.5296    9.5443 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6584    2.5159    7.1132 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4911    5.1157   -3.0050 C   0  0  0  0  0  2  0  0  0  0  0  0
   -5.2344    2.0696   -3.3736 C   0  0  0  0  0  2  0  0  0  0  0  0
   -4.7518    0.0026   -4.2317 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5746   -2.1683   -4.4098 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9810    3.9131    5.4557 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9019    4.6021    4.1820 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2686    5.9965    1.7324 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9559   -4.8950   -5.4484 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.0534   -6.3134   -5.8266 C   0  0  0  0  0  2  0  0  0  0  0  0
   -4.2144    2.9798    8.4900 C   0  0  0  0  0  3  0  0  0  0  0  0
   -4.1694    7.9243   -2.3477 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4057    2.8766    9.1570 C   0  0  0  0  0  3  0  0  0  0  0  0
   -4.7296    0.1504   -5.6107 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5548   -2.0073   -5.8010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5557    4.4288    6.6613 C   0  0  0  0  0  3  0  0  0  0  0  0
   -1.1808    3.9092    3.0025 C   0  0  0  0  0  3  0  0  0  0  0  0
   -1.3025    4.5990    1.7899 C   0  0  0  0  0  3  0  0  0  0  0  0
   -1.8858    7.8727    0.4349 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6916    8.1040   -0.7736 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0921   -0.8401   -6.3698 C   0  0  0  0  0  3  0  0  0  0  0  0
   -0.7487    3.8069    9.0686 C   0  0  0  0  0  1  0  0  0  0  0  0
   -3.4868   -6.6336   -7.0917 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0479   -2.9610   -6.8178 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4947    9.0904   -2.6090 C   0  0  0  0  0  3  0  0  0  0  0  0
   -4.3064   -7.4896   -8.0745 C   0  0  0  0  0  2  0  0  0  0  0  0
   -3.0144   -5.3418   -7.4765 C   0  0  0  0  0  2  0  0  0  0  0  0
   -1.6811   10.3557   -1.5308 C   0  0  0  0  0  1  0  0  0  0  0  0
    5.1686    0.9222    1.4645 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2962   -3.8690   -2.3868 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6834   -2.8010    0.5636 N   0  0  0  0  0  2  0  0  0  0  0  0
    4.4220   -3.8901   -1.4524 N   0  0  0  0  0  2  0  0  0  0  0  0
    6.5393    1.1569   -0.4685 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2090   -4.1302   -1.3862 N   0  0  0  0  0  2  0  0  0  0  0  0
    7.3501    2.2663   -2.4047 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7558   -1.3326   -0.8186 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3261   -5.4573   -3.1615 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9111   -4.0286   -1.4249 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1565   -1.9630   -2.0413 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4318   -1.3290   11.0028 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8878    0.3510    7.9813 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9247    6.6024   -1.9890 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8804   -5.7193   -3.4209 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6446   -7.1332   -2.4234 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8125   -7.4882    0.5434 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1251   -3.3281   -3.6664 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5050    0.7625   -3.3744 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5758    1.7608    8.4869 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9314   -4.3980   -5.4042 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0272   -7.8410   -3.7281 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2033   -8.1847   -3.1804 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1575    7.4417   -3.1755 N   0  0  0  0  0  2  0  0  0  0  0  0
    3.1704   -9.6343    4.0214 C   0  0  0  0  0  1  0  0  0  0  0  0
   -1.6004    6.5646    0.5473 N   0  0  0  0  0  2  0  0  0  0  0  0
   -3.6704    7.3081   -1.2236 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9413    3.5539    7.6324 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2050   -4.3091   -6.6007 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3165    1.2534   -6.1650 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6033    9.2021   -1.5881 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5330    8.7868    1.1781 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5703   -2.5189   -7.8576 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9867   -0.7586   12.1720 C   0  0  0  0  0  1  0  0  0  0  0  0
   -5.8483    1.0288   -7.4512 C   0  0  0  0  0  1  0  0  0  0  0  0
    3.9807    3.7355    0.9421 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.3483    4.5925    1.7426 C   0  0  0  0  0  1  0  0  0  0  0  0
  1  2  1  0
  1  4  1  0
  1106  1  0
  2 71  2  0
  2 75  1  0
  4  9  1  0
  5 10  1  0
  5 11  1  0
  6 12  1  0
  6 72  2  0
  6 76  1  0
  7  3  1  0
  7 13  1  0
  7 76  1  0
  8 14  2  0
  8 15  1  0
  9 75  1  0
  9 77  2  0
 10 75  1  0
 11 73  1  0
 11 78  2  0
 12 16  1  0
 12 73  1  0
 13 74  1  0
 13 79  2  0
 14 17  1  0
 14 74  1  0
 15 18  2  0
 17 19  2  0
 18 19  1  0
 18 20  1  0
 20 81  1  0
 21 22  2  0
 21 26  1  0
 22 29  1  0
 23 28  1  0
 23 85  1  0
 24 28  2  0
 24 86  1  0
 25 80  2  0
 25 81  1  0
 25 88  1  0
 26 38  2  0
 26 82  1  0
 27 34  1  0
 27 86  1  0
 28 92  1  0
 29 42  2  0
 29 90  1  0
 30 43  1  0
 30 83  2  0
 30 90  1  0
 31 44  1  0
 31 84  2  0
 31 94  1  0
 32 44  1  0
 32 45  1  0
 33 46  2  0
 33 47  1  0
 34 87  1  0
 35 36  2  0
 35 49  1  0
 36 50  1  0
 37 51  1  0
 37 88  1  0
 37 85  1  0
 38 42  1  0
 39 43  2  0
 39 48  1  0
 40 41  1  0
 40 95  1  0
 41 87  1  0
 42 55  1  0
 43 98  1  0
 45 89  1  0
 46 56  1  0
 46 89  1  0
 47 57  2  0
 47 88  1  0
 48 49  1  0
 48 58  2  0
 49 59  2  0
 50 60  2  0
 50 96  1  0
 51 99  1  0
 51 52  1  0
 51 91  1  1
 52 65  1  0
 53 55  2  0
 53 90  1  0
 54 67  2  0
 54 94  1  0
 54 97  1  0
 56 63  2  0
 56100  1  0
 57 63  1  0
 57 66  1  0
 58 98  1  0
 59 60  1  0
 61 62  1  0
 61 96  1  0
 61102  2  0
 62 97  2  0
 62101  1  0
 64 98  1  0
 65 68  2  0
 65 69  1  0
 66 99  1  0
 66103  2  0
 67101  1  0
 69 99  1  0
 70101  1  0
 82104  1  0
 86 93  1  0
 92 93  2  0
100105  1  0
106107  1  0
M  RAD  8   1   2   3   2   4   3   5   3   7   2   8   2  10   3  12   2
M  RAD  8  15   2  16   2  17   2  19   2  20   3  21   2  22   2  23   3
M  RAD  8  24   2  27   3  32   3  33   2  34   3  35   2  36   2  37   2
M  RAD  8  38   2  39   2  40   3  41   3  44   3  45   3  52   3  53   2
M  RAD  8  55   2  58   2  59   2  60   2  63   2  64   2  67   2  68   3
M  RAD  8  69   3  70   2  73   2  74   2  76   2  94   2  95   2  96   2
M  RAD  3 104   2 105   2 107   2
M  END
$$$$
