TJLLIN0081
     RDKit          3D

 48 49  0  0  1  0  0  0  0  0999 V2000
   -4.1657    3.3116   -3.1216 C   0  0  0  0  0  1  0  0  0  0  0  0
   -4.3845    1.3204   -1.4507 C   0  0  0  0  0  1  0  0  0  0  0  0
   -3.6915    2.7247   -1.7194 C   0  0  0  0  0  3  0  0  0  0  0  0
   -2.9970    3.4998   -0.7089 C   0  0  0  0  0  3  0  0  0  0  0  0
   -5.6821   -4.8933    3.1297 C   0  0  0  0  0  2  0  0  0  0  0  0
   -3.1447   -3.2900    2.4599 C   0  0  0  0  0  2  0  0  0  0  0  0
   -0.8895   -1.3066    1.7890 C   0  0  0  0  0  2  0  0  0  0  0  0
   -0.9573    2.3663   -1.0503 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9918    6.8134    0.1190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1013   -6.1737    4.6516 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0284   -0.2411    1.4219 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0038    1.4260   -0.2563 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.7512    4.7045   -0.1039 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8753    5.3195    0.6842 C   0  0  0  0  0  3  0  0  0  0  0  0
   -4.3865   -4.1406    2.7856 C   0  0  0  0  0  2  0  0  0  0  0  0
   -1.9709   -2.3456    2.1391 C   0  0  0  0  0  2  0  0  0  0  0  0
   -8.4657   -6.6276    4.5812 C   0  0  0  0  0  3  0  0  0  0  0  0
   -7.9889   -5.6191    2.7203 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3217    1.0767   -0.7857 C   0  0  0  0  0  2  0  0  0  0  0  0
   -7.1442    4.7768    1.5161 C   0  0  0  0  0  1  0  0  0  0  0  0
   -8.9477   -6.3138    3.5370 C   0  0  0  0  0  3  0  0  0  0  0  0
    2.8121    0.7193   -1.3111 C   0  0  0  0  0  2  0  0  0  0  0  0
    4.2322    0.5255   -1.7213 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9804   -0.9301   -2.6210 C   0  0  0  0  0  2  0  0  0  0  0  0
    7.3900   -1.1274   -2.9007 C   0  0  0  0  0  3  0  0  0  0  0  0
    9.6106   -0.6625   -2.4397 C   0  0  0  0  0  3  0  0  0  0  0  0
   10.6132   -0.0918   -1.6285 C   0  0  0  0  0  2  0  0  0  0  0  0
    8.1864   -2.3358   -3.2771 C   0  0  0  0  0  3  0  0  0  0  0  0
    9.6034   -2.0043   -2.9875 C   0  0  0  0  0  3  0  0  0  0  0  0
   11.5928    0.3080   -0.6840 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8874    7.7654    0.9759 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9606    2.2985   -2.2845 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3966   -6.4286    5.6131 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6032    0.6885    0.7190 N   0  0  0  0  0  2  0  0  0  0  0  0
   -4.9586    4.3524    0.3882 N   0  0  0  0  0  2  0  0  0  0  0  0
   -6.8399   -5.5023    3.4759 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7008    3.2144   -0.2942 N   0  0  0  0  0  2  0  0  0  0  0  0
   -6.4379    6.9373   -1.0803 O   0  0  0  0  0  1  0  0  0  0  0  0
    1.1669   -0.3112    1.8693 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2216    5.8149   -0.0777 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2495   -5.2996    1.5779 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5203   -0.6704   -2.2773 N   0  0  0  0  0  2  0  0  0  0  0  0
    4.9871    1.4774   -1.5150 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2973   -0.1691   -2.3928 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6057   -0.3446    0.6252 N   0  0  0  0  0  1  0  0  0  0  0  0
    7.9094   -2.9601   -4.3442 O   0  0  0  0  0  1  0  0  0  0  0  0
   10.4945   -2.8344   -2.6328 O   0  0  0  0  0  1  0  0  0  0  0  0
   12.4358    1.1818   -0.8859 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0
  2  3  1  0
  4  3  1  0
  4 13  1  0
  4 37  1  0
  5 15  1  0
  5 36  1  0
  6 15  1  0
  6 16  1  0
  7 11  1  0
  7 16  1  0
  8 12  1  0
  8 32  2  0
  8 37  1  0
  9 14  1  0
  9 31  2  0
  9 38  1  0
 10 17  1  0
 10 33  2  0
 10 36  1  0
 11 34  1  0
 11 39  2  0
 12 19  1  0
 12 34  1  0
 13 35  1  0
 13 40  2  0
 14 20  1  0
 14 35  1  0
 17 21  2  0
 18 21  1  0
 18 36  1  0
 18 41  2  0
 19 22  1  0
 22 23  1  0
 23 42  1  0
 23 43  2  0
 24 42  1  0
 25 24  1  0
 25 28  1  0
 25 44  1  0
 26 27  1  0
 26 29  1  0
 26 44  1  0
 27 30  1  0
 28 29  1  0
 28 46  1  0
 29 47  1  0
 30 45  1  0
 30 48  2  0
M  RAD  8   1   2   2   2   3   2   4   2   5   3   6   3   7   3  12   2
M  RAD  8  14   2  15   3  16   3  17   2  19   3  20   2  21   2  22   3
M  RAD  8  24   3  25   2  26   2  27   3  28   2  29   2  34   2  35   2
M  RAD  6  37   2  38   2  42   2  45   3  46   2  47   2
M  END
$$$$
