@<TRIPOS>MOLECULE
BindingDB_50029099
 22 23 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        27.4483   43.9977   17.7208  C     
2    C        26.8147   43.4742   16.5586  C     
3    C        27.7825   45.3850   17.7830  C     
4    C        27.5442   46.2039   16.6488  C     
5    C        26.5923   44.3081   15.4375  C     
6    C        26.9709   45.6600   15.4879  C     
7    N        28.6326   43.6975   19.9170  N     
8    C        27.7452   43.1118   18.8896  C     
9    Cl       26.3027   41.8496   16.5001  Cl    
10   Cl       27.8963   47.8650   16.6101  Cl    
11   Cl       25.8639   43.7551   14.0059  Cl    
12   C        28.4005   45.9734   19.0098  C     
13   C        28.2869   45.0823   20.2682  C     
14   H        26.8137   46.2665   14.6777  H     
15   H        28.5879   43.1166   20.7549  H     
16   H        29.5926   43.6865   19.5642  H     
17   H        26.8019   42.8215   19.3603  H     
18   H        28.2471   42.2052   18.5438  H     
19   H        29.4572   46.1658   18.7995  H     
20   H        27.9265   46.9278   19.2504  H     
21   H        27.2702   45.1219   20.6708  H     
22   H        28.9744   45.4381   21.0378  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    3 1
     3    1    8 1
     4    2    5 1
     5    2    9 1
     6    3    4 2
     7    3   12 1
     8    4    6 1
     9    4   10 1
    10    5    6 2
    11    5   11 1
    12    7    8 1
    13    7   13 1
    14   12   13 1
    15    6   14 1
    16    7   15 1
    17    7   16 1
    18    8   17 1
    19    8   18 1
    20   12   19 1
    21   12   20 1
    22   13   21 1
    23   13   22 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.1049
  Crash		| -1.9020
  Polar		| 3.0304
  FragIndex	| 1
  FragRMSD	| 0.059