@<TRIPOS>MOLECULE
BindingDB_50206999
 19 19 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    S        44.1269   14.2010    0.7172  S     
2    C        44.6316   15.3331    1.9106  C     
3    C        45.5454   14.6667    2.7409  C     
4    C        45.7585   13.3128    2.4100  C     
5    C        45.0526   12.8739    1.2881  C     
6    C        44.1637   16.6532    2.0088  C     
7    O        43.1470   17.0716    1.2292  O     
8    O        44.6454   17.5311    2.9149  O     
9    Br       45.0324   11.1661    0.5553  Br    
10   Br       46.8565   12.1860    3.4002  Br    
11   O        46.0952   15.2543    3.8415  O     
12   C        47.2771   16.0276    3.5650  C     
13   C        47.5604   16.8788    4.8157  C     
14   O        48.9426   17.1917    4.9345  O     
15   H        48.1297   15.3691    3.3731  H     
16   H        47.1406   16.6922    2.7047  H     
17   H        46.9965   17.8113    4.7617  H     
18   H        47.2457   16.3335    5.7072  H     
19   H        49.4133   16.4170    4.5608  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   12   15 1
    16   12   16 1
    17   13   17 1
    18   13   18 1
    19   14   19 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.6857
  Crash		| -0.9478
  Polar		| 5.3627
  FragIndex	| 1
  FragRMSD	| 1.066