@<TRIPOS>MOLECULE
BindingDB_50132298
 31 32 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    N        34.5233   22.9225   84.0267  N     
2    C        33.2365   23.0171   84.3425  C     
3    N        32.8541   23.7273   85.4229  N     
4    C        33.8255   24.3150   86.1872  C     
5    C        35.1439   24.2386   85.8852  C     
6    C        35.4643   23.5134   84.7548  C     
7    C        31.4496   23.8231   85.7983  C     
8    O        32.4524   22.4381   83.6025  O     
9    O        36.6173   23.3560   84.3786  O     
10   C        36.1796   24.8946   86.6984  C     
11   F        37.1117   23.9791   87.1285  F     
12   F        36.8121   25.8586   85.9497  F     
13   F        35.7381   25.5345   87.8337  F     
14   C        31.0939   22.8779   86.9684  C     
15   C        29.9930   23.6180   87.7516  C     
16   C        29.8504   24.9736   87.0155  C     
17   O        31.0417   25.1293   86.2383  O     
18   C        29.6837   26.1857   87.9637  C     
19   O        30.9395   26.6312   88.4638  O     
20   O        28.7621   22.8948   87.7675  O     
21   H        34.7856   22.4051   83.2462  H     
22   H        33.5590   24.8094   87.0056  H     
23   H        30.8214   23.5856   84.9283  H     
24   H        30.7580   21.9083   86.5924  H     
25   H        31.9625   22.7150   87.6162  H     
26   H        30.3205   23.7530   88.7887  H     
27   H        28.9958   24.9428   86.3289  H     
28   H        29.0628   25.9108   88.8194  H     
29   H        29.2024   27.0100   87.4340  H     
30   H        31.1946   27.3899   87.8950  H     
31   H        28.1121   23.4985   88.1873  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 1
     3    2    3 1
     4    2    8 2
     5    3    4 1
     6    7    3 1
     7    4    5 2
     8    5    6 1
     9    5   10 1
    10    6    9 2
    11    7   14 1
    12    7   17 1
    13   10   11 1
    14   10   12 1
    15   10   13 1
    16   14   15 1
    17   15   16 1
    18   15   20 1
    19   16   17 1
    20   16   18 1
    21   18   19 1
    22    1   21 1
    23    4   22 1
    24    7   23 1
    25   14   24 1
    26   14   25 1
    27   15   26 1
    28   16   27 1
    29   18   28 1
    30   18   29 1
    31   19   30 1
    32   20   31 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.6152
  Crash		| -0.7647
  Polar		| 4.4693
  FragIndex	| 1
  FragRMSD	| 0.226