@<TRIPOS>MOLECULE
BindingDB_50181136
 43 45 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        23.1495   15.1325  105.5926  C     
2    C        21.9905   15.9124  105.4284  C     
3    C        20.9251   15.7900  106.3394  C     
4    C        20.9756   14.8843  107.4403  C     
5    C        22.1746   14.1252  107.5941  C     
6    C        23.2378   14.2480  106.6777  C     
7    C        19.8818   14.7587  108.3115  C     
8    C        18.9710   15.8259  108.6523  C     
9    N        18.0131   15.2493  109.5653  N     
10   C        18.3464   13.8646  109.7845  C     
11   C        19.4962   13.6529  108.9557  C     
12   C        18.6420   13.5438  111.2178  C     
13   C        18.0351   12.4339  111.8519  C     
14   C        18.2740   12.1615  113.2122  C     
15   C        19.1304   12.9861  113.9546  C     
16   C        19.7515   14.0858  113.3388  C     
17   C        19.5023   14.3667  111.9829  C     
18   C        16.8941   15.8399  110.0377  C     
19   O        16.0909   15.0473  110.5687  O     
20   F        22.3799   13.3355  108.6127  F     
21   F        21.9250   16.7611  104.4365  F     
22   O        20.5832   14.8912  114.0332  O     
23   N        16.4961   17.1320  110.0364  N     
24   C        17.3956   18.2410  109.7515  C     
25   C        15.1316   17.4734  110.4253  C     
26   H        23.9273   15.2136  104.9335  H     
27   H        20.0981   16.3646  106.1734  H     
28   H        24.0926   13.6960  106.7992  H     
29   H        19.5508   16.6105  109.1325  H     
30   H        18.4540   16.1806  107.7643  H     
31   H        17.5428   13.2209  109.3869  H     
32   H        19.9102   12.7592  108.8435  H     
33   H        17.4016   11.8195  111.3342  H     
34   H        17.8120   11.3736  113.6633  H     
35   H        19.2898   12.7981  114.9458  H     
36   H        19.9530   15.1785  111.5504  H     
37   H        21.3987   14.3643  114.1485  H     
38   H        18.2706   18.1897  110.3972  H     
39   H        16.9489   19.2253  109.9264  H     
40   H        17.6893   18.2479  108.7016  H     
41   H        14.4214   16.9196  109.7994  H     
42   H        14.8776   18.5368  110.3135  H     
43   H        14.9419   17.2052  111.4725  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    2    3 1
     4    2   21 1
     5    3    4 2
     6    4    5 1
     7    4    7 1
     8    5    6 2
     9    5   20 1
    10    7    8 1
    11    7   11 2
    12    8    9 1
    13    9   10 1
    14    9   18 1
    15   10   11 1
    16   10   12 1
    17   12   13 2
    18   12   17 1
    19   13   14 1
    20   14   15 2
    21   15   16 1
    22   16   17 2
    23   16   22 1
    24   18   19 2
    25   18   23 am
    26   23   24 1
    27   23   25 1
    28    1   26 1
    29    3   27 1
    30    6   28 1
    31    8   29 1
    32    8   30 1
    33   10   31 1
    34   11   32 1
    35   13   33 1
    36   14   34 1
    37   15   35 1
    38   17   36 1
    39   22   37 1
    40   24   38 1
    41   24   39 1
    42   24   40 1
    43   25   41 1
    44   25   42 1
    45   25   43 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.7370
  Crash		| -1.0768
  Polar		| 0.0000
  FragIndex	| 1
  FragRMSD	| 0.321