@<TRIPOS>MOLECULE
BindingDB_10862
 19 19 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -5.4606    1.0735   16.4125  C     
2    C        -6.3071    2.1637   16.1244  C     
3    C        -5.8068    3.2805   15.4311  C     
4    C        -4.4626    3.3226   15.0191  C     
5    C        -3.6069    2.2390   15.3145  C     
6    C        -4.1108    1.1198   16.0110  C     
7    O        -5.9108   -1.5738   16.2994  O     
8    O        -5.2283   -0.5653   18.5914  O     
9    S        -6.0698   -0.3220   17.2648  S     
10   N        -7.6965   -0.2721   17.6637  N     
11   F        -2.3530    2.2551   14.9534  F     
12   N        -4.0203    4.3981   14.3398  N     
13   H        -7.2820    2.1513   16.4222  H     
14   H        -6.4315    4.0621   15.2290  H     
15   H        -3.4786    0.3392   16.2264  H     
16   H        -8.1158   -1.0590   18.0525  H     
17   H        -8.2313    0.5196   17.4798  H     
18   H        -3.0997    4.4481   14.0304  H     
19   H        -4.6314    5.1280   14.1418  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 2
     3    1    9 1
     4    2    3 2
     5    3    4 1
     6    4    5 2
     7    4   12 1
     8    5    6 1
     9    5   11 1
    10    7    9 2
    11    8    9 2
    12    9   10 am
    13    2   13 1
    14    3   14 1
    15    6   15 1
    16   10   16 1
    17   10   17 1
    18   12   18 1
    19   12   19 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 3.9547
  Crash		| -0.6147
  Polar		| 2.9522
  FragIndex	| 1
  FragRMSD	| 1.202