TJL0237
     RDKit          3D

127131  0  0  1  0  0  0  0  0999 V2000
    4.2755   -3.2125    4.2971 C   0  0  0  0  0  1  0  0  0  0  0  0
    4.7357   -5.7599   -4.2768 C   0  0  0  0  0  1  0  0  0  0  0  0
    6.5659   -6.4384   -2.6460 C   0  0  0  0  0  2  0  0  0  0  0  0
    1.7751   -4.1454    4.7246 C   0  0  0  0  0  1  0  0  0  0  0  0
    4.4583   -8.4027    4.2952 C   0  0  0  0  0  2  0  0  0  0  0  0
    2.7521   -3.3313    3.6994 C   0  0  0  0  0  3  0  0  0  0  0  0
    5.4950   -5.4861   -2.9216 C   0  0  0  0  0  3  0  0  0  0  0  0
    5.1203   -7.1773    3.5300 C   0  0  0  0  0  2  0  0  0  0  0  0
    7.7852   -7.4079   -2.5377 C   0  0  0  0  0  1  0  0  0  0  0  0
    3.9671   -8.5636    2.8453 C   0  0  0  0  0  2  0  0  0  0  0  0
   -4.5846    2.8660   -0.7695 C   0  0  0  0  0  1  0  0  0  0  0  0
    2.4439   -2.5830    2.5192 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.6837    0.4830   -0.3419 C   0  0  0  0  0  1  0  0  0  0  0  0
   -1.9575    0.2186    7.2645 C   0  0  0  0  0  3  0  0  0  0  0  0
   -0.5172   -0.2645    5.3078 C   0  0  0  0  0  2  0  0  0  0  0  0
    1.1047   -1.0402    3.7685 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5083   -1.8611   -1.9307 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3495   -4.2781   -2.0210 C   0  0  0  0  0  3  0  0  0  0  0  0
    5.6934   -5.1545    0.3819 C   0  0  0  0  0  2  0  0  0  0  0  0
    4.0747   -7.6400    1.7573 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.6897    2.0473    0.2969 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.0045   -3.1738    1.2498 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7141   -5.6355    1.7582 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1943    0.7180    7.6566 C   0  0  0  0  0  3  0  0  0  0  0  0
   -1.3057    0.6604    6.1201 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5175   -1.9582   -0.6946 C   0  0  0  0  0  3  0  0  0  0  0  0
    5.8890   -4.1865   -0.6497 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.8496   -9.3383   -0.7780 C   0  0  0  0  0  1  0  0  0  0  0  0
    3.2430   -7.8341    0.6001 C   0  0  0  0  0  3  0  0  0  0  0  0
   -1.7327    3.3486    1.7419 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7514    2.2094    1.7342 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.6992    1.7270    6.8667 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6637    1.8972    5.6448 C   0  0  0  0  0  3  0  0  0  0  0  0
    0.1163   -2.0819    1.7150 C   0  0  0  0  0  1  0  0  0  0  0  0
    2.3214   -1.0377   -0.8032 C   0  0  0  0  0  3  0  0  0  0  0  0
    5.3274   -2.9111   -4.1412 C   0  0  0  0  0  1  0  0  0  0  0  0
   -7.3072    6.2019    0.5461 C   0  0  0  0  0  2  0  0  0  0  0  0
   -3.7318    7.4322    0.8178 C   0  0  0  0  0  2  0  0  0  0  0  0
   -5.7738    1.0592    6.2742 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9061    4.1123   -0.5045 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3519   -8.8333   -0.4902 C   0  0  0  0  0  3  0  0  0  0  0  0
   -2.3619    6.9436    1.0689 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3088    4.8398    1.6124 C   0  0  0  0  0  3  0  0  0  0  0  0
   -5.0101    1.8084    2.5423 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5753    0.6773    4.6272 C   0  0  0  0  0  3  0  0  0  0  0  0
    2.0882   -0.0596    0.3324 C   0  0  0  0  0  1  0  0  0  0  0  0
   -7.3414    7.6176    0.9473 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1353    8.0278    0.4362 C   0  0  0  0  0  2  0  0  0  0  0  0
   -2.8511    2.4568    6.0262 C   0  0  0  0  0  3  0  0  0  0  0  0
    1.7516   -0.6732   -2.2440 C   0  0  0  0  0  1  0  0  0  0  0  0
   -8.4183    2.8308   -0.0364 C   0  0  0  0  0  2  0  0  0  0  0  0
    2.2589   -9.7028   -1.0898 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1129    4.9951    1.1669 C   0  0  0  0  0  2  0  0  0  0  0  0
   -6.0281   -0.5279    4.0185 C   0  0  0  0  0  2  0  0  0  0  0  0
   -7.8982    4.1584    1.8410 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4722    2.7741    1.3804 C   0  0  0  0  0  3  0  0  0  0  0  0
   -6.3071   -1.7266    3.0316 C   0  0  0  0  0  2  0  0  0  0  0  0
    1.6405    5.0851    0.7514 C   0  0  0  0  0  2  0  0  0  0  0  0
    1.2588   -7.9668   -2.5573 C   0  0  0  0  0  3  0  0  0  0  0  0
    0.1629   -7.7084   -3.5031 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.0822    5.2256    0.5199 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2164   -2.9922    2.0564 C   0  0  0  0  0  2  0  0  0  0  0  0
   -0.4665   -6.4128   -3.5934 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1134   -5.5042   -4.5973 C   0  0  0  0  0  3  0  0  0  0  0  0
   -1.2873   -5.9937   -2.5369 C   0  0  0  0  0  3  0  0  0  0  0  0
   -5.4239   -5.2835    2.1214 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1119    4.8555   -1.8302 C   0  0  0  0  0  2  0  0  0  0  0  0
   -1.5264    1.0040   -7.3531 C   0  0  0  0  0  1  0  0  0  0  0  0
    2.5897    5.3456   -3.1004 C   0  0  0  0  0  3  0  0  0  0  0  0
   -0.6440   -4.1662   -4.5279 C   0  0  0  0  0  3  0  0  0  0  0  0
    0.7685    2.7993   -4.8318 C   0  0  0  0  0  2  0  0  0  0  0  0
    1.5029    4.0128   -4.6647 C   0  0  0  0  0  3  0  0  0  0  0  0
   -1.8686   -4.7103   -2.5439 C   0  0  0  0  0  3  0  0  0  0  0  0
   -1.4987   -3.7395   -3.5008 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.3220    5.5148   -4.4210 C   0  0  0  0  0  3  0  0  0  0  0  0
   -0.2323    1.8595   -5.2251 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5976    4.5983   -5.3845 C   0  0  0  0  0  3  0  0  0  0  0  0
    0.9459    3.4156   -8.4573 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2451    2.4316   -7.6144 C   0  0  0  0  0  2  0  0  0  0  0  0
   -0.1140    5.2917   -7.2825 C   0  0  0  0  0  2  0  0  0  0  0  0
   -0.8453    5.6672   -6.1136 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1348    5.9566   -9.1590 C   0  0  0  0  0  1  0  0  0  0  0  0
    2.0165   -0.2762    4.0878 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6114   -0.7125   -2.3970 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9351   -2.4047    0.5886 N   0  0  0  0  0  2  0  0  0  0  0  0
    5.0425   -6.7611    2.2164 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9815    2.4999    1.1918 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6997    0.4559    6.8827 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1967   -1.9555    2.6962 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9085   -3.0134   -2.6794 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0763   -1.2404    4.4629 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9677    4.3801   -1.7289 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5636    8.4377    0.2919 N   0  0  0  0  0  2  0  0  0  0  0  0
   -2.2105    5.6208    0.8678 N   0  0  0  0  0  2  0  0  0  0  0  0
   -4.8852    1.6407    3.8637 N   0  0  0  0  0  2  0  0  0  0  0  0
    2.9089   -4.3739    1.1420 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0186    2.0006    6.9029 N   0  0  0  0  0  2  0  0  0  0  0  0
   -2.8708    3.0733    2.4101 N   0  0  0  0  0  2  0  0  0  0  0  0
   -7.6285    4.8791    0.6405 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0490    1.5677    1.9140 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2758   -9.1561   -1.8782 N   0  0  0  0  0  2  0  0  0  0  0  0
   -8.1328    7.8329    1.8804 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5564    7.8757    1.2600 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4014  -10.9651   -0.8662 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2983   -8.6715   -4.2432 O   0  0  0  0  0  1  0  0  0  0  0  0
   -7.7945    4.6402    2.9661 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7105   -4.2674    1.2678 N   0  0  0  0  0  2  0  0  0  0  0  0
    3.5635    4.3888   -0.4215 N   0  0  0  0  0  2  0  0  0  0  0  0
    3.7595    5.9290    1.3112 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4201    4.6205   -3.3811 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9628   -5.1963    3.2740 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8426   -6.6780    1.6603 N   0  0  0  0  0  1  0  0  0  0  0  0
    1.6031    3.0177   -9.4262 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4739    1.7780   -6.6547 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4764    6.7502   -4.7712 O   0  0  0  0  0  1  0  0  0  0  0  0
   -0.8742    1.2097   -4.3628 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2140    4.0174   -6.3292 O   0  0  0  0  0  1  0  0  0  0  0  0
    0.7285    4.8119   -8.2275 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0771    7.0550   -5.7708 N   0  0  0  0  0  1  0  0  0  0  0  0
   -1.4979    4.7902   -5.4977 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8154    2.2902    2.0529 C   0  0  0  0  0  1  0  0  0  0  0  0
    6.7370   -3.0984   -0.3719 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1745   -6.8953    0.4970 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3056   -6.7950   -2.3525 C   0  0  0  0  0  1  0  0  0  0  0  0
    7.8651   -3.0470   -1.2443 C   0  0  0  0  0  1  0  0  0  0  0  0
    6.4961   -5.0210    2.5336 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1009   -7.3894    1.3425 C   0  0  0  0  0  1  0  0  0  0  0  0
  1  6  1  0
  3  7  1  0
  3  9  1  0
  4  6  1  0
  5  8  1  0
  5 10  1  0
  7  2  1  0
  7 18  1  0
  8 86  1  0
 11 21  1  0
 12 22  1  0
 12 89  1  0
 12  6  1  0
 13 21  1  0
 14 24  2  0
 14 25  1  0
 15 25  1  0
 15 91  1  0
 16 83  2  0
 16 89  1  0
 16 91  1  0
 17 84  2  0
 17 90  1  0
 18 27  1  0
 18 90  1  0
 19 23  1  0
 20 29  1  0
 20 86  1  0
 20 10  1  0
 22 85  1  0
 22 96  2  0
 23 86  1  0
 23126  2  0
 24 32  1  0
 25 33  2  0
 26 17  1  0
 26 35  1  0
 26 85  1  0
 27 19  1  0
 27122  1  0
 29 41  1  0
 29123  1  0
 30 43  1  0
 30 87  2  0
 30 98  1  0
 31 44  1  0
 31 98  1  0
 31 21  1  0
 32 49  2  0
 32 97  1  0
 33 49  1  0
 34 89  1  0
 35 46  1  0
 35 50  1  0
 36 90  1  0
 37 47  1  0
 37 99  1  0
 38 42  1  0
 38 48  1  0
 39 45  1  0
 39 88  2  0
 39 97  1  0
 40 51  1  0
 40 92  2  0
 40 99  1  0
 41 28  1  0
 41 52  1  0
 42 94  1  0
 42103  2  0
 43 94  1  0
 44 95  1  0
 44100  2  0
 45 54  1  0
 45 95  1  0
 47 93  1  0
 47102  2  0
 48 93  1  0
 51 56  1  0
 52101  1  0
 52104  2  0
 53 43  1  0
 53 58  1  0
 54 57  1  0
 55 56  1  0
 55 99  1  0
 55106  2  0
 56121  1  0
 57 62  1  0
 58 61  1  0
 59 60  1  0
 59101  1  0
 59124  1  0
 60 63  1  0
 60105  1  0
 61108  1  0
 61109  2  0
 62107  1  0
 63 64  2  0
 63 65  1  0
 64 70  1  0
 65 73  2  0
 66107  1  0
 66111  2  0
 66112  1  0
 67108  1  0
 68114  1  0
 69 67  1  0
 69 75  1  0
 69110  1  0
 70 74  2  0
 71 76  1  0
 72 71  1  0
 72 77  1  0
 72110  1  0
 73 74  1  0
 75 77  1  0
 75115  1  0
 76114  1  0
 76116  2  0
 77117  1  0
 78 79  1  0
 78113  2  0
 78118  1  0
 79114  1  0
 80 81  1  0
 80118  1  0
 81119  1  0
 81120  2  0
 82118  1  0
122125  1  0
123127  1  0
M  RAD  8   1   2   2   2   3   3   4   2   5   3   6   2   7   2   8   3
M  RAD  8   9   2  10   3  11   2  12   2  13   2  14   2  15   3  18   2
M  RAD  8  19   3  20   2  21   2  24   2  26   2  27   2  28   2  29   2
M  RAD  8  31   2  33   2  34   2  35   2  36   2  37   3  38   3  41   2
M  RAD  8  43   2  45   2  46   2  48   3  49   2  50   2  51   3  53   3
M  RAD  8  54   3  56   2  57   3  58   3  59   2  60   2  62   3  64   2
M  RAD  8  65   2  67   3  68   2  69   2  70   2  71   3  72   2  73   2
M  RAD  8  74   2  75   2  77   2  79   3  80   3  82   2  85   2  93   2
M  RAD  8  94   2  95   2  97   2  98   2 101   2 105   2 107   2 108   2
M  RAD  8 112   3 115   2 117   2 119   3 121   2 124   2 125   2 127   2
M  END
$$$$
