@<TRIPOS>MOLECULE
BindingDB_10859
 20 20 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -5.4349    2.5024   15.9116  C     
2    C        -6.2611    3.5947   15.5776  C     
3    C        -5.7186    4.7105   14.9072  C     
4    C        -4.3477    4.7527   14.5631  C     
5    C        -3.5353    3.6454   14.8899  C     
6    C        -4.0727    2.5291   15.5556  C     
7    O        -5.8666   -0.1483   15.8371  O     
8    O        -5.2025    0.8850   18.1019  O     
9    S        -6.0507    1.1194   16.7768  S     
10   N        -7.6866    1.1418   17.1540  N     
11   C        -3.7892    5.9380   13.8755  C     
12   H        -7.2564    3.5875   15.8246  H     
13   H        -6.3334    5.4961   14.6728  H     
14   H        -2.5407    3.6454   14.6490  H     
15   H        -3.4538    1.7439   15.7834  H     
16   H        -8.1124    0.3226   17.4708  H     
17   H        -8.2201    1.9291   16.9701  H     
18   H        -4.3034    6.0935   12.9256  H     
19   H        -2.7210    5.8259   13.6688  H     
20   H        -3.9194    6.8237   14.5004  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   11 1
     8    5    6 1
     9    7    9 2
    10    8    9 2
    11    9   10 am
    12    2   12 1
    13    3   13 1
    14    5   14 1
    15    6   15 1
    16   10   16 1
    17   10   17 1
    18   11   18 1
    19   11   19 1
    20   11   20 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 3.6361
  Crash		| -0.7760
  Polar		| 2.4439
  FragIndex	| 1
  FragRMSD	| 1.173