@<TRIPOS>MOLECULE
BindingDB_14240
 17 17 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        44.6474   15.4344    1.9152  C     
2    C        45.6220   14.8117    2.7227  C     
3    C        45.8883   13.4757    2.3506  C     
4    C        45.1901   13.0294    1.2159  C     
5    S        44.1887   14.3143    0.6882  S     
6    Br       47.0389   12.3511    3.2747  Br    
7    O        46.1718   15.4040    3.8247  O     
8    C        47.4579   16.0209    3.5854  C     
9    C        47.9665   16.6596    4.8120  C     
10   O        49.2793   16.9691    4.8334  O     
11   O        47.1629   17.4935    5.5254  O     
12   C        44.0955   16.7221    2.0423  C     
13   O        43.0779   17.0788    1.2364  O     
14   O        44.5068   17.6014    2.9912  O     
15   H        45.2541   12.0944    0.7999  H     
16   H        48.1832   15.2569    3.2849  H     
17   H        47.4113   16.7882    2.8064  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    5 1
     3    1   12 1
     4    2    3 1
     5    2    7 1
     6    3    4 2
     7    3    6 1
     8    4    5 1
     9    7    8 1
    10    8    9 1
    11    9   10 2
    12    9   11 1
    13   12   13 2
    14   12   14 1
    15    4   15 1
    16    8   16 1
    17    8   17 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 9.4220
  Crash		| -0.4833
  Polar		| 8.4063
  FragIndex	| 1
  FragRMSD	| 0.106