@<TRIPOS>MOLECULE
BindingDB_11387
 18 18 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    O        -7.5563   -0.4995   17.2602  O     
2    S        -6.0072   -0.1920   17.4403  S     
3    O        -5.7957    0.1058   18.9910  O     
4    N        -5.1307   -1.5912   17.1095  N     
5    O        -5.7259   -2.6876   16.7528  O     
6    C        -5.4553    1.1682   16.4865  C     
7    C        -4.1487    1.1733   15.9440  C     
8    C        -3.6649    2.2931   15.2332  C     
9    C        -4.4860    3.4202   15.0405  C     
10   C        -5.7899    3.4266   15.5703  C     
11   C        -6.2756    2.3095   16.2901  C     
12   F        -3.3290    0.1730   16.1450  F     
13   F        -7.4653    2.3892   16.8208  F     
14   F        -6.5414    4.4843   15.4060  F     
15   F        -4.0314    4.4548   14.3846  F     
16   F        -2.4424    2.2919   14.7734  F     
17   H        -4.1810   -1.6128   17.3032  H     
18   H        -5.2522   -3.3835   17.2558  H     
@<TRIPOS>BOND
     1    1    2 2
     2    2    3 2
     3    2    4 1
     4    2    6 1
     5    4    5 1
     6    6    7 1
     7    6   11 2
     8    7    8 2
     9    7   12 1
    10    8    9 1
    11    8   16 1
    12    9   10 2
    13    9   15 1
    14   10   11 1
    15   10   14 1
    16   11   13 1
    17    4   17 1
    18    5   18 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 3.9894
  Crash		| -0.9769
  Polar		| 3.0881
  FragIndex	| 1
  FragRMSD	| 0.464