TJLLIN0147
     RDKit          3D

 48 48  0  0  1  0  0  0  0  0999 V2000
  -12.7509   -4.1292    4.1038 C   0  0  0  0  0  1  0  0  0  0  0  0
  -12.4011   -2.7745    3.3321 C   0  0  0  0  0  3  0  0  0  0  0  0
  -13.3974   -2.5981    2.0970 C   0  0  0  0  0  1  0  0  0  0  0  0
  -11.3296   -1.2144    4.6901 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1467   -2.0811    3.4583 C   0  0  0  0  0  3  0  0  0  0  0  0
   -9.0292   -1.5133    2.6948 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6504   -0.5159    1.6434 C   0  0  0  0  0  3  0  0  0  0  0  0
   -9.2637    0.7915    1.5823 C   0  0  0  0  0  2  0  0  0  0  0  0
   -6.4539   -1.2544    0.6909 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6230    1.3196   -2.2162 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5255    2.0777    1.1654 C   0  0  0  0  0  2  0  0  0  0  0  0
   -7.3866    1.0720    0.9381 C   0  0  0  0  0  2  0  0  0  0  0  0
   -5.1957   -0.7071   -0.0152 C   0  0  0  0  0  3  0  0  0  0  0  0
   -5.3318    0.2748   -1.0771 C   0  0  0  0  0  2  0  0  0  0  0  0
   -2.9211   -0.9484   -0.3970 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7664   -0.4552    0.3456 C   0  0  0  0  0  2  0  0  0  0  0  0
   -0.3042   -0.2027    0.8528 C   0  0  0  0  0  2  0  0  0  0  0  0
    1.4995    1.0429    0.9640 C   0  0  0  0  0  2  0  0  0  0  0  0
    2.3458    2.3297    0.7416 C   0  0  0  0  0  2  0  0  0  0  0  0
    4.3610    3.1563    0.7891 C   0  0  0  0  0  2  0  0  0  0  0  0
    5.8946    3.0046    1.0318 C   0  0  0  0  0  2  0  0  0  0  0  0
    7.8760    2.2277    0.4293 C   0  0  0  0  0  2  0  0  0  0  0  0
   17.0796   -1.2815   -4.1448 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7666    1.3547   -0.5053 C   0  0  0  0  0  2  0  0  0  0  0  0
   15.6160   -0.7395   -4.2191 C   0  0  0  0  0  2  0  0  0  0  0  0
   11.3410    0.5652   -2.9911 C   0  0  0  0  0  2  0  0  0  0  0  0
   12.9418    0.5792   -4.7639 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7863    1.0228   -1.6953 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2149   -0.0533   -4.3564 C   0  0  0  0  0  2  0  0  0  0  0  0
  -11.0086   -1.7218    5.8191 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2342   -2.0502    2.4250 N   0  0  0  0  0  2  0  0  0  0  0  0
   -8.2824   -1.7578    3.6479 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6552   -2.4793    0.7435 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1693    0.9085   -3.2972 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3602   -0.2798    1.1232 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3288    2.5369   -1.9649 O   0  0  0  0  0  1  0  0  0  0  0  0
   -3.9848   -1.2273    0.3586 N   0  0  0  0  0  2  0  0  0  0  0  0
   -2.7002   -1.3262   -1.5533 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9904   -0.1675    1.2189 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0712    3.4476    0.6183 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2145    3.0196    1.2721 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.3174   -2.4764   -4.5186 O   0  0  0  0  0  1  0  0  0  0  0  0
   17.9584   -0.4534   -3.7443 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0330    1.4518   -5.6331 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5824    0.4957   -1.4082 N   0  0  0  0  0  2  0  0  0  0  0  0
   11.8244    0.0063   -4.3060 N   0  0  0  0  0  2  0  0  0  0  0  0
   11.4511    1.8512   -1.0602 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9650   -0.1282    4.5027 O   0  0  0  0  0  1  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  4  5  1  0
  4 30  2  0
  4 48  1  0
  5  2  1  0
  5 31  1  0
  6 31  1  0
  6 32  2  0
  7  6  1  0
  7  8  1  0
  7 35  1  0
  8 11  1  0
  9 13  1  0
  9 33  2  0
  9 35  1  0
 10 14  1  0
 10 34  2  0
 10 36  1  0
 11 12  1  0
 12 35  1  0
 13 37  1  0
 13 14  1  0
 15 16  1  0
 15 37  1  0
 15 38  2  0
 16 17  1  0
 17 39  1  0
 18 19  1  0
 18 39  1  0
 19 40  1  0
 20 21  1  0
 20 40  1  0
 21 41  1  0
 22 24  1  0
 22 41  1  0
 23 25  1  0
 23 42  1  0
 23 43  2  0
 24 45  1  0
 25 29  1  0
 26 28  1  0
 26 46  1  0
 27 29  1  0
 27 44  2  0
 27 46  1  0
 28 45  1  0
 28 47  2  0
M  RAD  8   1   2   2   2   3   2   5   2   7   2   8   3  11   3  12   3
M  RAD  8  13   2  14   3  16   3  17   3  18   3  19   3  20   3  21   3
M  RAD  8  22   3  24   3  25   3  26   3  29   3  31   2  36   2  37   2
M  RAD  4  42   2  45   2  46   2  48   2
M  END
$$$$
