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


@<TRIPOS>ATOM
1    C       -11.7569   37.3914   42.1607  C     
2    C       -11.3955   36.0367   42.0347  C     
3    C       -11.0644   36.3541   39.6566  C     
4    C       -11.4307   37.7042   39.7868  C     
5    C       -11.7782   38.2719   41.0446  C     
6    C       -11.0901   40.7071   40.5694  C     
7    F       -11.3084   42.0161   40.9437  F     
8    F        -9.8304   40.3974   41.0329  F     
9    F       -11.0310   40.7010   39.2006  F     
10   C       -12.1746   39.7338   41.1701  C     
11   C       -13.6095   39.9822   40.5832  C     
12   F       -14.0411   41.2705   40.7945  F     
13   F       -13.6920   39.7628   39.2251  F     
14   F       -14.5347   39.1576   41.1800  F     
15   O       -12.2891   40.1072   42.5542  O     
16   C       -11.0322   35.5014   40.7806  C     
17   N       -10.6773   34.1902   40.6585  N     
18   C        -9.3165   33.7003   40.6807  C     
19   C        -8.1540   34.6713   41.0369  C     
20   F        -6.9397   34.0290   40.9516  F     
21   F        -8.1125   35.7348   40.1628  F     
22   F        -8.2641   35.1466   42.3197  F     
23   C       -12.2102   32.7072   38.7072  C     
24   C       -13.3562   33.2103   38.0549  C     
25   C       -13.5974   32.8932   36.7012  C     
26   C       -12.6864   32.0919   35.9884  C     
27   C       -11.5387   31.5947   36.6332  C     
28   C       -11.3006   31.9005   37.9867  C     
29   S       -11.9154   33.0705   40.3852  S     
30   O       -11.6018   31.7259   41.1775  O     
31   O       -13.2531   33.5681   41.0916  O     
32   H       -12.0182   37.7225   43.0915  H     
33   H       -11.3938   35.4368   42.8627  H     
34   H       -10.8058   35.9910   38.7344  H     
35   H       -11.4378   38.2770   38.9430  H     
36   H       -11.4041   39.9671   42.9507  H     
37   H        -9.2614   32.8698   41.3901  H     
38   H        -9.0890   33.2973   39.6898  H     
39   H       -14.0288   33.8004   38.5461  H     
40   H       -14.4386   33.2433   36.2371  H     
41   H       -12.8603   31.8655   35.0053  H     
42   H       -10.8777   31.0068   36.1181  H     
43   H       -10.4667   31.5244   38.4398  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	| 7.4135
  Crash		| -0.6320
  Polar		| 1.1826
  FragIndex	| 1
  FragRMSD	| 0.501