@<TRIPOS>MOLECULE
BindingDB_50207020
 19 19 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    S        44.3973   14.3444    0.6210  S     
2    C        44.5748   15.3919    1.9834  C     
3    C        45.3255   14.7178    2.9548  C     
4    C        45.7367   13.4198    2.5445  C     
5    C        45.2953   13.0343    1.2783  C     
6    C        43.9997   16.6746    2.0961  C     
7    O        44.4375   17.5802    3.0096  O     
8    O        43.1370   17.1309    1.1539  O     
9    Br       45.5044   11.3746    0.4618  Br    
10   Br       46.7477   12.2502    3.5719  Br    
11   O        45.4364   15.2525    4.2182  O     
12   C        46.7432   15.3803    4.8082  C     
13   C        47.5672   16.4215    4.1996  C     
14   C        48.7541   16.1344    3.6435  C     
15   H        46.5902   15.6602    5.8515  H     
16   H        47.2331   14.3940    4.8120  H     
17   H        47.2726   17.3818    4.2351  H     
18   H        49.3340   16.8613    3.2919  H     
19   H        49.0934   15.2043    3.5859  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 2
    15   12   15 1
    16   12   16 1
    17   13   17 1
    18   14   18 1
    19   14   19 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.6082
  Crash		| -1.3493
  Polar		| 4.2474
  FragIndex	| 1
  FragRMSD	| 0.613