@<TRIPOS>MOLECULE
BindingDB_19993
 43 44 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        38.8305    2.2118   14.4004  C     
2    C        39.4031    1.0236   13.9192  C     
3    C        37.6990   -0.2541   15.0831  C     
4    C        37.1592    0.9415   15.5980  C     
5    C        37.6903    2.2121   15.2480  C     
6    C        35.5949    3.4834   16.1567  C     
7    F        35.0660    4.7446   16.3097  F     
8    F        34.8270    2.8760   15.1946  F     
9    F        35.3736    2.8405   17.3482  F     
10   C        37.1173    3.5259   15.7471  C     
11   C        38.0238    4.1095   16.8925  C     
12   F        37.5650    5.3226   17.3421  F     
13   F        38.0870    3.2655   17.9737  F     
14   F        39.3178    4.3290   16.4827  F     
15   O        37.1710    4.4392   14.6335  O     
16   C        38.8194   -0.2173   14.2283  C     
17   N        39.3376   -1.3688   13.7205  N     
18   C        38.7905   -1.9364   12.5113  C     
19   C        38.8906   -1.0231   11.2593  C     
20   F        38.3640   -1.6610   10.1669  F     
21   F        38.1970    0.1487   11.4003  F     
22   F        40.1972   -0.7198   10.9817  F     
23   C        40.4601   -1.6984   16.3433  C     
24   C        39.8375   -2.4852   17.3351  C     
25   C        39.7664   -2.0313   18.6662  C     
26   C        40.3047   -0.7767   19.0113  C     
27   C        40.9264    0.0141   18.0297  C     
28   C        41.0081   -0.4466   16.7034  C     
29   S        40.4759   -2.1946   14.6671  S     
30   O        40.1810   -3.7566   14.6119  O     
31   O        41.9298   -1.9670   14.0669  O     
32   H        39.2700    3.0915   14.1206  H     
33   H        40.2301    1.0685   13.3177  H     
34   H        37.2796   -1.1538   15.3389  H     
35   H        36.3620    0.8598   16.2290  H     
36   H        36.9325    5.3219   14.9857  H     
37   H        39.3011   -2.8716   12.2673  H     
38   H        37.7397   -2.1815   12.6826  H     
39   H        39.4184   -3.3864   17.1002  H     
40   H        39.3127   -2.6052   19.3809  H     
41   H        40.2380   -0.4371   19.9731  H     
42   H        41.3119    0.9281   18.2803  H     
43   H        41.4498    0.1490   16.0025  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    5 2
     3    2   16 2
     4    3    4 2
     5    3   16 1
     6    4    5 1
     7    5   10 1
     8    6    7 1
     9    6    8 1
    10    6    9 1
    11    6   10 1
    12   10   11 1
    13   10   15 1
    14   11   12 1
    15   11   13 1
    16   11   14 1
    17   16   17 1
    18   17   18 1
    19   17   29 1
    20   18   19 1
    21   19   20 1
    22   19   21 1
    23   19   22 1
    24   23   24 1
    25   23   28 2
    26   23   29 1
    27   24   25 2
    28   25   26 1
    29   26   27 2
    30   27   28 1
    31   29   30 2
    32   29   31 2
    33    1   32 1
    34    2   33 1
    35    3   34 1
    36    4   35 1
    37   15   36 1
    38   18   37 1
    39   18   38 1
    40   24   39 1
    41   25   40 1
    42   26   41 1
    43   27   42 1
    44   28   43 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.0742
  Crash		| -2.7753
  Polar		| 1.1707
  FragIndex	| 1
  FragRMSD	| 0.855