@<TRIPOS>MOLECULE
BindingDB_50029108
 22 23 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        26.8299   43.2594   16.6177  C     
2    C        26.7157   43.9784   15.4005  C     
3    C        27.4469   43.8609   17.7514  C     
4    C        27.2201   45.2913   15.3179  C     
5    C        27.9974   45.1672   17.6342  C     
6    C        27.8547   45.8765   16.4262  C     
7    N        27.9795   43.9683   20.2012  N     
8    Cl       25.9763   43.2770   14.0344  Cl    
9    Cl       26.2281   41.6677   16.7185  Cl    
10   Cl       27.1173   46.2186   13.9027  Cl    
11   C        27.5481   43.1389   19.0565  C     
12   C        28.7185   45.8271   18.7595  C     
13   C        29.1155   44.8558   19.8960  C     
14   H        28.2320   46.8250   16.3484  H     
15   H        27.1926   44.5472   20.4999  H     
16   H        28.2384   43.3480   20.9702  H     
17   H        26.5680   42.7381   19.3270  H     
18   H        28.2405   42.3000   18.9454  H     
19   H        29.6352   46.2956   18.3896  H     
20   H        28.0748   46.6125   19.1635  H     
21   H        29.3808   45.4198   20.7922  H     
22   H        29.9807   44.2571   19.5998  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    3 2
     3    1    9 1
     4    2    4 2
     5    2    8 1
     6    3    5 1
     7    3   11 1
     8    4    6 1
     9    4   10 1
    10    5    6 2
    11    5   12 1
    12    7   11 1
    13    7   13 1
    14   12   13 1
    15    6   14 1
    16    7   15 1
    17    7   16 1
    18   11   17 1
    19   11   18 1
    20   12   19 1
    21   12   20 1
    22   13   21 1
    23   13   22 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 3.1599
  Crash		| -2.8356
  Polar		| 2.4690
  FragIndex	| 1
  FragRMSD	| 0.491