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


@<TRIPOS>ATOM
1    C        28.3415   43.7027   16.7834  C     
2    C        27.9480   44.7086   15.8588  C     
3    C        28.9653   44.0670   18.0119  C     
4    C        28.1753   46.0619   16.1631  C     
5    C        29.1424   45.4408   18.3266  C     
6    C        28.7761   46.4245   17.3853  C     
7    N        30.2495   43.5116   20.1009  N     
8    Cl       27.2089   44.2953   14.3769  Cl    
9    Cl       28.0510   42.0636   16.4119  Cl    
10   Cl       27.7497   47.2992   15.0970  Cl    
11   C        29.4004   43.0315   18.9911  C     
12   C        29.7328   45.8851   19.6233  C     
13   C        29.7654   44.7714   20.6965  C     
14   H        28.9586   47.4121   17.5929  H     
15   H        30.2775   42.7854   20.8289  H     
16   H        31.1985   43.6619   19.7561  H     
17   H        28.5052   42.5759   19.4172  H     
18   H        29.9806   42.2654   18.4808  H     
19   H        30.7496   46.2386   19.4311  H     
20   H        29.1516   46.7168   20.0247  H     
21   H        28.7618   44.6232   21.1088  H     
22   H        30.4319   45.0617   21.5116  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	| 2.5860
  Crash		| -3.1644
  Polar		| 2.0410
  FragIndex	| 1
  FragRMSD	| 0.607