TJLLIN0019
     RDKit          3D

 49 49  0  0  1  0  0  0  0  0999 V2000
   13.9653    0.4354   -6.7699 C   0  0  0  0  0  2  0  0  0  0  0  0
   12.5984    0.7709   -6.9016 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0358   -0.7823   -5.8745 C   0  0  0  0  0  2  0  0  0  0  0  0
   -4.8790   -0.8801    5.4779 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9295   -3.9297    3.3336 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1654   -3.9173    1.3536 C   0  0  0  0  0  2  0  0  0  0  0  0
   -2.0391    5.1294    3.1660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5583    2.8585    3.9625 C   0  0  0  0  0  2  0  0  0  0  0  0
   -5.8152   -3.1926    5.2035 C   0  0  0  0  0  2  0  0  0  0  0  0
    8.9412   -0.4086   -5.9725 C   0  0  0  0  0  2  0  0  0  0  0  0
    5.1132    3.3962   -2.6936 C   0  0  0  0  0  2  0  0  0  0  0  0
    0.9505    5.2614   -0.2974 C   0  0  0  0  0  2  0  0  0  0  0  0
    6.4317    2.0878   -3.9057 C   0  0  0  0  0  2  0  0  0  0  0  0
  -14.1983   -3.1645    0.7458 C   0  0  0  0  0  1  0  0  0  0  0  0
   12.6621   -0.9671   -5.4483 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6586   -3.6327    1.6763 C   0  0  0  0  0  2  0  0  0  0  0  0
   -1.3431    5.9703    2.1462 C   0  0  0  0  0  2  0  0  0  0  0  0
   -1.8862    1.3937    4.1867 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6793    0.0382    5.3417 C   0  0  0  0  0  2  0  0  0  0  0  0
   -7.9106   -5.0934    3.4143 C   0  0  0  0  0  3  0  0  0  0  0  0
   10.4696   -0.1006   -5.9951 C   0  0  0  0  0  2  0  0  0  0  0  0
    6.6225    0.8386   -4.8153 C   0  0  0  0  0  2  0  0  0  0  0  0
    2.0570    4.2144   -0.7036 C   0  0  0  0  0  2  0  0  0  0  0  0
   -6.7451   -4.3697    5.4595 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6159   -1.0004   -6.0073 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9113    3.3784   -1.6813 C   0  0  0  0  0  2  0  0  0  0  0  0
   -0.3658    5.8263   -0.0290 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0010   -6.2668    2.4751 C   0  0  0  0  0  2  0  0  0  0  0  0
   12.2420    1.6824   -7.6208 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2788    5.1393    3.1700 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8474   -0.3713    6.0433 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2197   -3.6195    2.0397 N   0  0  0  0  0  2  0  0  0  0  0  0
   -0.4301    6.5922    1.1043 N   0  0  0  0  0  2  0  0  0  0  0  0
   -2.6150    1.1688    5.2947 N   0  0  0  0  0  2  0  0  0  0  0  0
   -6.9586   -5.2726    4.4439 N   0  0  0  0  0  2  0  0  0  0  0  0
    6.5281   -0.2108   -5.8807 N   0  0  0  0  0  2  0  0  0  0  0  0
   11.8267   -0.0774   -6.1134 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8931    3.1774   -0.8490 O   0  0  0  0  0  0  0  0  0  0  0  0
  -13.4326   -4.2958    1.1238 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2302    4.3334    3.8862 N   0  0  0  0  0  2  0  0  0  0  0  0
   -4.6854   -2.1697    5.0683 N   0  0  0  0  0  2  0  0  0  0  0  0
    6.1694    3.3601   -3.5144 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4311   -1.8085   -4.6014 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5442   -2.1970   -6.2479 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4074    0.6069    3.3658 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9641   -4.6804    6.6410 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2711    5.5061   -0.8092 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0711   -7.3909    1.5769 O   0  0  0  0  0  1  0  0  0  0  0  0
   -9.4230   -3.3665    4.3123 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  1  3  1  0
  2 29  2  0
  2 37  1  0
  3 15  1  0
  4 19  1  0
  4 31  2  0
  4 41  1  0
  5 20  1  0
  5 32  1  0
  5 49  2  0
  6 16  1  0
  6 39  1  0
  7 17  1  0
  7 30  2  0
  7 40  1  0
  8 18  1  0
  8 40  1  0
  9 24  1  0
  9 41  1  0
 10 21  1  0
 10 25  1  0
 11 26  1  0
 11 42  1  0
 12 23  1  0
 12 27  1  0
 13 22  1  0
 13 42  1  0
 14 39  1  0
 15 37  1  0
 15 43  2  0
 16 32  1  0
 17 33  1  0
 18 34  1  0
 18 45  2  0
 19 34  1  0
 20 28  1  0
 20 35  1  0
 21 37  1  0
 22 36  1  0
 23 38  1  0
 24 35  1  0
 24 46  2  0
 25 36  1  0
 25 44  2  0
 26 38  1  0
 27 33  1  0
 27 47  2  0
 28 48  1  0
M  RAD  8   1   3   3   3   6   3   8   3   9   3  10   3  11   3  12   3
M  RAD  8  13   3  14   2  16   3  17   3  19   3  20   2  21   3  22   3
M  RAD  8  23   3  26   3  28   3  32   2  33   2  34   2  35   2  36   2
M  RAD  3  40   2  41   2  48   2
M  END
$$$$
