@<TRIPOS>MOLECULE
BindingDB_50207019
 19 19 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    S        44.1953   14.4641    0.6728  S     
2    C        44.7471   15.6084    1.8353  C     
3    C        45.5944   14.9160    2.7146  C     
4    C        45.7177   13.5361    2.4402  C     
5    C        45.0037   13.0987    1.3231  C     
6    Br       44.8686   11.3648    0.6670  Br    
7    Br       46.7325   12.3743    3.4846  Br    
8    O        46.1991   15.5060    3.7914  O     
9    C        47.5124   16.0249    3.5109  C     
10   C        48.0229   16.6589    4.7364  C     
11   O        49.3406   16.9512    4.8113  O     
12   O        47.1950   17.4237    5.4834  O     
13   C        44.3234   17.0199    1.8154  C     
14   O        44.6824   17.7498    2.9822  O     
15   H        48.1957   15.2218    3.2153  H     
16   H        47.4846   16.7753    2.7179  H     
17   H        44.7494   17.5071    0.9390  H     
18   H        43.2362   17.0547    1.7361  H     
19   H        45.6545   17.8063    2.9855  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    5 1
     3    2    3 2
     4    2   13 1
     5    3    4 1
     6    3    8 1
     7    4    5 2
     8    4    7 1
     9    5    6 1
    10    8    9 1
    11    9   10 1
    12   10   11 1
    13   10   12 2
    14   13   14 1
    15    9   15 1
    16    9   16 1
    17   13   17 1
    18   13   18 1
    19   14   19 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.4947
  Crash		| -0.5286
  Polar		| 5.3777
  FragIndex	| 1
  FragRMSD	| 0.923