@<TRIPOS>MOLECULE
BindingDB_50207021
 23 23 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    S        43.7655   14.1726    1.2578  S     
2    C        44.7826   15.4225    1.8612  C     
3    C        45.9885   14.7938    2.2538  C     
4    C        45.9779   13.3873    2.0987  C     
5    C        44.8176   12.8555    1.5447  C     
6    C        44.3104   16.7537    1.8770  C     
7    O        44.7139   17.6713    2.7792  O     
8    O        43.1986   17.0834    1.1845  O     
9    Br       44.4367   11.0802    1.1557  Br    
10   Br       47.3889   12.2762    2.5847  Br    
11   O        47.1971   15.3530    2.5782  O     
12   C        47.4225   16.3730    3.5596  C     
13   C        46.9502   16.1210    5.0223  C     
14   O        46.6883   17.3910    5.6248  O     
15   C        45.7175   15.2047    5.2152  C     
16   O        45.7071   14.6337    6.5156  O     
17   H        48.5057   16.5009    3.5865  H     
18   H        47.0482   17.3206    3.1931  H     
19   H        47.7774   15.6628    5.5728  H     
20   H        47.5665   17.8042    5.7342  H     
21   H        44.7850   15.7517    5.0525  H     
22   H        45.7760   14.3688    4.5195  H     
23   H        45.0500   15.1634    7.0137  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    5 1
     3    2    3 2
     4    2    6 1
     5    3    4 1
     6    3   11 1
     7    4    5 2
     8    4   10 1
     9    5    9 1
    10    6    7 1
    11    6    8 2
    12   11   12 1
    13   12   13 1
    14   13   14 1
    15   13   15 1
    16   15   16 1
    17   12   17 1
    18   12   18 1
    19   13   19 1
    20   14   20 1
    21   15   21 1
    22   15   22 1
    23   16   23 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.7921
  Crash		| -3.3674
  Polar		| 7.3998
  FragIndex	| 1
  FragRMSD	| 0.702