@<TRIPOS>MOLECULE
BindingDB_16425
 17 17 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        18.6521   24.6135   63.4209  C     
2    C        19.8592   24.4353   62.6810  C     
3    C        20.1354   23.1999   62.0533  C     
4    C        19.2338   22.1274   62.1653  C     
5    C        18.0525   22.2834   62.9080  C     
6    C        17.7667   23.5164   63.5203  C     
7    C        18.3133   25.8765   64.1471  C     
8    C        17.0449   26.4892   63.6963  C     
9    O        16.1075   26.8592   64.6011  O     
10   O        16.8236   26.7880   62.3965  O     
11   Br       21.1720   25.7484   62.4910  Br    
12   H        20.9894   23.0757   61.5112  H     
13   H        19.4413   21.2341   61.7086  H     
14   H        17.3966   21.5027   62.9888  H     
15   H        16.9041   23.6007   64.0693  H     
16   H        18.2394   25.6377   65.2114  H     
17   H        19.0906   26.6381   64.0519  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    1    7 1
     4    2    3 1
     5    2   11 1
     6    3    4 2
     7    4    5 1
     8    5    6 2
     9    7    8 1
    10    8    9 2
    11    8   10 1
    12    3   12 1
    13    4   13 1
    14    5   14 1
    15    6   15 1
    16    7   16 1
    17    7   17 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.3302
  Crash		| -0.3437
  Polar		| 4.2403
  FragIndex	| 1
  FragRMSD	| 1.047