TJL0278
     RDKit          3D

 97105  0  0  1  0  0  0  0  0999 V2000
    1.4458   -2.3862    0.0157 C   0  0  0  0  0  3  0  0  0  0  0  0
    1.3332   -1.0441   -0.2708 C   0  0  0  0  0  3  0  0  0  0  0  0
    0.6634   -3.0324    0.9896 C   0  0  0  0  0  3  0  0  0  0  0  0
    0.4545   -0.2888    0.5176 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2348   -2.2612    1.7152 C   0  0  0  0  0  3  0  0  0  0  0  0
    0.4522    1.1159    0.3009 C   0  0  0  0  0  2  0  0  0  0  0  0
   -0.3796   -0.8875    1.4894 C   0  0  0  0  0  3  0  0  0  0  0  0
  -11.7351    5.5219   -2.1001 C   0  0  0  0  0  2  0  0  0  0  0  0
   -7.8146   -0.1389    0.9885 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8036    0.6372   -0.3123 C   0  0  0  0  0  2  0  0  0  0  0  0
    0.7919    2.4841   -0.0901 C   0  0  0  0  0  3  0  0  0  0  0  0
    7.6312    1.4304    2.4425 C   0  0  0  0  0  2  0  0  0  0  0  0
    8.7049   -0.4152    2.5686 C   0  0  0  0  0  2  0  0  0  0  0  0
   -9.8384    3.4594   -2.8048 C   0  0  0  0  0  2  0  0  0  0  0  0
   -8.6403    2.8759   -0.2448 C   0  0  0  0  0  2  0  0  0  0  0  0
   -1.4894    3.2760   -0.5843 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9585    1.9624    0.8730 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6679    7.8947   -1.4496 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9164    2.6598    1.1519 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3400    0.3025    1.1704 C   0  0  0  0  0  3  0  0  0  0  0  0
   -4.4946    1.1125   -0.8299 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3105    2.8346   -0.2648 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5067   -1.9122    2.2279 C   0  0  0  0  0  2  0  0  0  0  0  0
  -11.0036    4.4234   -2.8632 C   0  0  0  0  0  2  0  0  0  0  0  0
   -8.8393    3.0747   -1.7441 C   0  0  0  0  0  2  0  0  0  0  0  0
   -2.2884    2.0481   -0.3242 C   0  0  0  0  0  2  0  0  0  0  0  0
    4.5551    2.2820    0.6943 C   0  0  0  0  0  2  0  0  0  0  0  0
  -12.1096    8.6295   -0.2163 C   0  0  0  0  0  3  0  0  0  0  0  0
  -12.8383    6.4371   -0.1271 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3690   -0.7535    1.2975 C   0  0  0  0  0  2  0  0  0  0  0  0
  -12.8188    7.7157    0.5192 C   0  0  0  0  0  2  0  0  0  0  0  0
  -11.5771   -1.7857    1.2201 C   0  0  0  0  0  2  0  0  0  0  0  0
  -12.8660   -2.4957    0.9245 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8701   -7.3702    0.9837 C   0  0  0  0  0  3  0  0  0  0  0  0
  -12.8610   -4.9596    0.4664 C   0  0  0  0  0  2  0  0  0  0  0  0
  -11.5651   -8.5797    0.1696 C   0  0  0  0  0  3  0  0  0  0  0  0
  -12.9461   -6.4389    0.5258 C   0  0  0  0  0  3  0  0  0  0  0  0
  -12.7599   -9.2273   -0.5486 C   0  0  0  0  0  3  0  0  0  0  0  0
  -14.0364   -8.4234   -0.5656 C   0  0  0  0  0  3  0  0  0  0  0  0
  -15.3790   -8.8756   -1.0179 C   0  0  0  0  0  2  0  0  0  0  0  0
   -7.2748   -0.4618    2.0934 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1549    4.3248   -0.7190 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6616    1.6666   -0.0987 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0045    8.4281   -2.3117 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7690    1.6280    1.3711 N   0  0  0  0  0  2  0  0  0  0  0  0
   -3.3911    0.9922   -0.0525 N   0  0  0  0  0  2  0  0  0  0  0  0
    3.0728    2.2437    0.6927 N   0  0  0  0  0  2  0  0  0  0  0  0
   -0.1355    3.3478   -0.6912 N   0  0  0  0  0  2  0  0  0  0  0  0
    6.2912    1.9767    2.1965 N   0  0  0  0  0  2  0  0  0  0  0  0
  -12.1211    6.5803   -1.3220 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2495    0.4644   -0.0816 N   0  0  0  0  0  2  0  0  0  0  0  0
    8.8789    0.9243    2.6536 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6802    3.5506    1.9098 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5152    1.4421   -2.0231 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7036    3.5188   -1.2220 O   0  0  0  0  0  0  0  0  0  0  0  0
  -13.6409    5.6021    0.2606 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7982   -3.4898    0.0274 N   0  0  0  0  0  2  0  0  0  0  0  0
  -13.8814   -1.8108    1.1658 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4958   -8.4512   -0.5373 O   0  0  0  0  0  1  0  0  0  0  0  0
  -13.9419   -7.0346   -0.2855 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7143  -10.4161   -1.0486 O   0  0  0  0  0  1  0  0  0  0  0  0
  -16.7410   -9.3928   -1.3108 O   0  0  0  0  0  1  0  0  0  0  0  0
  -11.7747   -7.5634    2.2590 O   0  0  0  0  0  1  0  0  0  0  0  0
  -12.5222   10.1480   -0.1969 C   0  0  0  0  0  1  0  0  0  0  0  0
    7.4656   -3.3725   -0.8514 C   0  0  0  0  0  2  0  0  0  0  0  0
    6.8496   -2.3709   -1.8757 C   0  0  0  0  0  2  0  0  0  0  0  0
    8.4917   -2.8651    0.0088 C   0  0  0  0  0  3  0  0  0  0  0  0
    5.5907   -0.6152   -3.9481 C   0  0  0  0  0  1  0  0  0  0  0  0
    7.2873   -0.9963   -2.0757 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1916   -1.6050   -0.4801 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5375   -1.9644    0.4837 C   0  0  0  0  0  2  0  0  0  0  0  0
    6.6805   -0.0837   -2.9658 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4991   -0.7033   -1.3722 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4598   -1.2715   -0.0686 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0371   -1.6430    0.8773 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9990   -0.0334   -0.4513 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2712    1.1637   -3.1220 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1242    0.5565   -1.6358 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4149   -0.0412    0.1065 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4756    1.4338   -2.4823 C   0  0  0  0  0  3  0  0  0  0  0  0
   15.0965   -0.5578    0.7188 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4775   -0.6989    1.0141 C   0  0  0  0  0  2  0  0  0  0  0  0
   13.4278    0.7248   -0.1730 C   0  0  0  0  0  3  0  0  0  0  0  0
   14.8359    0.6009    0.0600 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9817    1.5851   -0.2940 C   0  0  2  0  0  0  0  0  0  0  0  0
   17.4906    1.1772    0.2511 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6907    2.9652    0.2359 C   0  0  0  0  0  2  0  0  0  0  0  0
   15.4207    4.3134    0.9394 C   0  0  0  0  0  1  0  0  0  0  0  0
    8.4794   -3.2628    1.5596 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.3640   -2.7763    1.2288 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7023   -1.3092    0.5518 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8302    1.9848   -4.0984 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.3812    0.8602   -1.2138 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.6412   -0.1153    0.7312 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0744    1.6044   -1.6176 O   0  0  0  0  0  1  0  0  0  0  0  0
   18.4835    1.9348    0.1866 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1198   -3.7388    1.8610 C   0  0  0  0  0  1  0  0  0  0  0  0
  1  2  2  0
  1  3  1  0
  2  4  1  0
  3  5  2  0
  4  6  1  0
  4  7  2  0
  5  7  1  0
  8 24  1  0
  8 50  1  0
  9 20  1  0
  9 41  2  0
  9 51  1  0
 10 21  1  0
 10 51  1  0
 11 22  1  0
 11 48  1  0
 11  6  1  0
 12 49  1  0
 12 52  1  0
 13 23  1  0
 13 52  1  0
 14 24  1  0
 14 25  1  0
 15 19  1  0
 15 25  1  0
 16 26  1  0
 16 42  2  0
 16 48  1  0
 17 27  1  0
 17 43  2  0
 17 49  1  0
 18 28  1  0
 18 44  2  0
 18 50  1  0
 19 45  1  0
 19 53  2  0
 20 30  1  0
 20 45  1  0
 21 46  1  0
 21 54  2  0
 22 47  1  0
 22 55  2  0
 23 89  1  0
 26 46  1  0
 27 47  1  0
 28 31  1  0
 28 64  1  0
 29 31  1  0
 29 50  1  0
 29 56  2  0
 30 32  1  0
 32 33  1  0
 33 57  1  0
 33 58  2  0
 34 36  1  0
 34 37  1  0
 34 63  1  0
 35 57  1  0
 36 38  1  0
 36 59  1  0
 37 35  1  0
 37 60  1  0
 38 39  1  0
 38 61  1  0
 39 40  1  0
 39 60  1  0
 40 62  1  0
 65 66  1  0
 65 67  1  0
 66 69  1  0
 67 70  1  0
 67 89  1  0
 68 72  1  0
 69 72  2  0
 69 73  1  0
 70 73  2  0
 70 74  1  0
 71 74  1  0
 71 91  1  0
 72 77  1  0
 73 78  1  0
 74 76  2  0
 75 81  1  0
 75 90  2  0
 75 91  1  0
 76 79  1  0
 76 93  1  0
 77 80  2  0
 77 92  1  0
 78 80  1  0
 78 93  2  0
 79 83  2  0
 79 91  1  0
 81 82  1  0
 81 84  2  0
 82 94  1  0
 83 84  1  0
 84 85  1  0
 85 86  1  0
 85 95  1  6
 86 94  1  0
 86 96  2  0
 87 85  1  0
 87 88  1  0
 89 97  1  0
M  RAD  8   1   2   2   2   3   2   5   2   6   3   7   2   8   3  10   3
M  RAD  8  11   2  12   3  13   3  14   3  15   3  20   2  23   3  24   3
M  RAD  8  25   3  26   3  27   3  28   2  30   3  31   3  32   3  34   2
M  RAD  8  35   3  36   2  37   2  38   2  39   2  40   3  45   2  46   2
M  RAD  8  47   2  48   2  49   2  51   2  57   2  59   2  61   2  62   2
M  RAD  8  63   2  64   2  65   3  66   3  67   2  68   2  71   3  80   2
M  RAD  6  82   3  83   2  87   3  88   2  95   2  97   2
M  END
$$$$
