TJLLIN0108
     RDKit          3D

 77 80  0  0  1  0  0  0  0  0999 V2000
   16.0085    1.6085   -6.6430 O   0  0  0  0  0  1  0  0  0  0  0  0
  -12.0508    2.9601   -1.6609 C   0  0  0  0  0  1  0  0  0  0  0  0
   13.3420    0.8609   -4.0721 C   0  0  0  0  0  3  0  0  0  0  0  0
   15.3739    1.2695   -5.4167 C   0  0  0  0  0  2  0  0  0  0  0  0
    8.6674   -4.7007    1.5077 C   0  0  0  0  0  1  0  0  0  0  0  0
    7.0998   -3.1835    0.1043 C   0  0  0  0  0  1  0  0  0  0  0  0
  -19.6662   -0.6380    0.1350 C   0  0  0  0  0  2  0  0  0  0  0  0
  -17.9461   -1.0931   -1.1687 C   0  0  0  0  0  2  0  0  0  0  0  0
  -13.2417   -0.3045   -2.9087 C   0  0  0  0  0  2  0  0  0  0  0  0
  -10.5890    2.4463   -1.7191 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2257   -3.1775    1.2478 C   0  0  0  0  0  3  0  0  0  0  0  0
   12.7359    0.5061   -2.8456 C   0  0  0  0  0  3  0  0  0  0  0  0
   14.7303    0.9364   -4.1674 C   0  0  0  0  0  0  0  0  0  0  0  0
  -20.3549    0.9916    3.5145 C   0  0  0  0  0  0  0  0  0  0  0  0
  -20.3000   -0.2155    1.4846 C   0  0  0  0  0  2  0  0  0  0  0  0
  -16.4210   -1.2245   -1.4270 C   0  0  0  0  0  2  0  0  0  0  0  0
  -14.6494   -0.6448   -2.8534 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1712   -2.2221    2.3536 C   0  0  0  0  0  3  0  0  0  0  0  0
  -10.2246    1.0951   -1.6931 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8927    1.8725   -1.7296 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6803    2.5562   -2.6343 C   0  0  0  0  0  3  0  0  0  0  0  0
    6.9429   -1.4124    4.1938 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6230   -0.1044   -0.2158 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4616    0.2448   -1.6781 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4868    0.6801   -3.0337 C   0  0  0  0  0  3  0  0  0  0  0  0
  -11.3170    0.0662   -1.7564 C   0  0  0  0  0  3  0  0  0  0  0  0
   -8.8174    0.8159   -1.6746 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6912    0.1073   -0.1062 C   0  0  0  0  0  2  0  0  0  0  0  0
    9.4216   -1.3774    2.5601 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4262    1.7542   -1.7482 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2874    2.5234   -2.6484 C   0  0  0  0  0  3  0  0  0  0  0  0
    1.2568   -0.7914   -0.0797 C   0  0  0  0  0  2  0  0  0  0  0  0
    5.3343    1.0495   -1.3648 C   0  0  0  0  0  2  0  0  0  0  0  0
    6.2793    2.3601    0.0385 C   0  0  0  0  0  2  0  0  0  0  0  0
    6.9111   -0.0208    3.8089 C   0  0  0  0  0  2  0  0  0  0  0  0
   11.2557   -0.6454    1.2018 C   0  0  0  0  0  3  0  0  0  0  0  0
   14.8582    0.3483   -1.8179 C   0  0  0  0  0  3  0  0  0  0  0  0
  -11.2862   -1.1588   -1.0232 C   0  0  0  0  0  2  0  0  0  0  0  0
   -8.3257   -0.5382   -1.5712 C   0  0  0  0  0  2  0  0  0  0  0  0
   -1.5655    0.9792   -1.0255 C   0  0  0  0  0  2  0  0  0  0  0  0
    2.5503   -1.0409   -0.8809 C   0  0  0  0  0  2  0  0  0  0  0  0
    4.4428   -0.2116   -1.4713 C   0  0  0  0  0  2  0  0  0  0  0  0
    6.7775    1.4410    3.3344 C   0  0  0  0  0  2  0  0  0  0  0  0
   -5.7179    0.9249   -0.8673 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.6042    1.6881   -1.7715 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4560    2.5567    1.5580 C   0  0  0  0  0  2  0  0  0  0  0  0
   12.2305   -0.6901    2.2702 C   0  0  0  0  0  2  0  0  0  0  0  0
   -4.3187    0.8951   -0.8763 C   0  0  0  0  0  3  0  0  0  0  0  0
   13.2802   -0.7433    3.4513 C   0  0  0  0  0  2  0  0  0  0  0  0
  -10.6934   -2.4978   -0.5366 C   0  0  0  0  0  2  0  0  0  0  0  0
   -8.2463   -2.0311   -1.1951 C   0  0  0  0  0  2  0  0  0  0  0  0
   -9.2662   -3.0209   -0.6359 C   0  0  0  0  0  2  0  0  0  0  0  0
   14.2787   -0.7883    4.6812 C   0  0  0  0  0  2  0  0  0  0  0  0
   16.4551   -0.8899    5.7207 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6667    3.4343   -1.7454 N   0  0  0  0  0  0  0  0  0  0  0  0
  -21.0147    0.1578    2.7192 N   0  0  0  0  0  2  0  0  0  0  0  0
  -14.9771   -1.2841   -1.7295 N   0  0  0  0  0  2  0  0  0  0  0  0
   -8.3262    3.1533   -1.7787 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5907   -1.6762    5.3437 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7257    0.3212   -0.9583 O   0  0  0  0  0  0  0  0  0  0  0  0
  -19.2755   -0.9946   -1.0857 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9609    0.0662   -2.9967 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9574   -1.0380    1.3719 N   0  0  0  0  0  2  0  0  0  0  0  0
    0.1357   -0.6328    0.6304 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0856    2.1485   -1.2635 O   0  0  0  0  0  0  0  0  0  0  0  0
  -19.2726    1.5524    3.4495 O   0  0  0  0  0  0  0  0  0  0  0  0
  -15.3426   -0.3181   -3.8091 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0932   -2.3066    3.2122 N   0  0  0  0  0  2  0  0  0  0  0  0
   12.9503   -0.1354   -0.4638 N   0  0  0  0  0  2  0  0  0  0  0  0
    9.7807   -1.0708    3.6974 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.2934   -1.0985    6.5977 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2399    1.7562   -1.8662 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6636   -1.2888   -1.5745 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5981    2.6766    2.8736 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1323   -0.8728    5.8968 N   0  0  0  0  0  2  0  0  0  0  0  0
   17.0382   -0.6231    4.3895 N   0  0  0  0  0  1  0  0  0  0  0  0
  -21.0458    1.3967    4.8416 C   0  0  0  0  0  1  0  0  0  0  0  0
  2 10  1  0
  3 12  2  0
  3 13  1  0
  4 13  1  0
  4  1  1  0
  5 11  1  0
  6 11  1  0
  7 15  1  0
  7 61  1  0
  8 16  1  0
  8 61  1  0
  9 17  1  0
  9 62  1  0
 10 19  2  0
 10 55  1  0
 12 24  1  0
 13 25  2  0
 14 56  1  0
 14 66  2  0
 14 77  1  0
 15 56  1  0
 16 57  1  0
 17 57  1  0
 17 67  2  0
 18 11  1  0
 18 29  1  0
 18 68  1  0
 19 26  1  0
 19 27  1  0
 20 27  2  0
 20 30  1  0
 20 58  1  0
 21 30  2  0
 21 31  1  0
 22 35  1  0
 22 59  2  0
 22 68  1  0
 23 36  1  0
 23 60  2  0
 23 69  1  0
 24 37  2  0
 24 69  1  0
 25 37  1  0
 26 38  1  0
 26 62  1  0
 27 39  1  0
 28 40  1  0
 28 64  1  0
 29 63  1  0
 29 70  2  0
 30 44  1  0
 31 45  2  0
 32 41  1  0
 32 64  1  0
 33 42  1  0
 33 65  1  0
 34 46  1  0
 34 65  1  0
 35 43  1  0
 36 47  1  0
 36 63  1  0
 38 50  1  0
 39 51  1  0
 40 72  1  0
 41 73  1  0
 42 73  1  0
 43 74  1  0
 44 48  2  0
 45 48  1  0
 45 72  1  0
 46 74  1  0
 47 49  1  0
 49 53  1  0
 50 52  1  0
 51 52  1  0
 53 75  1  0
 54 71  2  0
 54 75  1  0
 54 76  1  0
 55 58  2  0
M  RAD  8   1   2   2   2   3   2   4   3   5   2   6   2   7   3   8   3
M  RAD  8   9   3  11   2  12   2  15   3  16   3  18   2  21   2  25   2
M  RAD  8  26   2  28   3  31   2  32   3  33   3  34   3  35   3  36   2
M  RAD  8  37   2  38   3  39   3  40   3  41   3  42   3  43   3  44   2
M  RAD  8  46   3  47   3  48   2  49   3  50   3  51   3  52   3  53   3
M  RAD  8  56   2  57   2  63   2  68   2  69   2  75   2  76   3  77   2
M  END
$$$$
