@<TRIPOS>MOLECULE
BindingDB_11609
 19 19 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        16.9552    6.5648   14.0192  C     
2    C        15.5616    6.4219   14.1947  C     
3    C        15.0496    5.3385   14.9342  C     
4    C        15.9182    4.3890   15.5094  C     
5    C        17.3081    4.5189   15.3096  C     
6    C        17.8293    5.6008   14.5706  C     
7    N        17.4338    7.6224   13.3307  N     
8    N        13.7155    3.3005   17.0158  N     
9    S        15.3025    3.0949   16.5052  S     
10   O        15.3373    1.7454   15.6770  O     
11   O        16.2165    2.9320   17.7950  O     
12   Cl       19.5105    5.7101   14.3858  Cl    
13   Br       14.3616    7.6551   13.4780  Br    
14   H        14.0388    5.2523   15.0650  H     
15   H        17.9493    3.8330   15.7172  H     
16   H        18.3898    7.7323   13.2039  H     
17   H        16.8250    8.2856   12.9663  H     
18   H        13.2935    2.6090   17.5476  H     
19   H        13.2551    4.1426   16.8559  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    1    7 1
     4    2    3 1
     5    2   13 1
     6    3    4 2
     7    4    5 1
     8    4    9 1
     9    5    6 2
    10    6   12 1
    11    8    9 am
    12    9   10 2
    13    9   11 2
    14    3   14 1
    15    5   15 1
    16    7   16 1
    17    7   17 1
    18    8   18 1
    19    8   19 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 3.7439
  Crash		| -0.6746
  Polar		| 3.0963
  FragIndex	| 1
  FragRMSD	| 1.099