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


@<TRIPOS>ATOM
1    C        29.0494   44.1476   17.8668  C     
2    C        28.3444   43.8519   16.6634  C     
3    C        29.2711   45.5034   18.2375  C     
4    C        28.8127   46.5361   17.3816  C     
5    C        27.9092   44.8965   15.8171  C     
6    C        28.1396   46.2314   16.1862  C     
7    N        30.4604   43.4122   19.8423  N     
8    C        29.5024   43.0477   18.7738  C     
9    Cl       28.0207   42.2413   16.2106  Cl    
10   Cl       29.0076   48.1874   17.7160  Cl    
11   Cl       27.1141   44.6277   14.3458  Cl    
12   C        30.0169   45.8445   19.4878  C     
13   C        30.1336   44.6825   20.5066  C     
14   H        27.8356   46.9958   15.5715  H     
15   H        30.4635   42.6657   20.5523  H     
16   H        31.3989   43.4958   19.4350  H     
17   H        28.6207   42.6069   19.2347  H     
18   H        30.0043   42.2819   18.1855  H     
19   H        31.0215   46.1757   19.2090  H     
20   H        29.5183   46.6619   20.0085  H     
21   H        29.1888   44.5649   21.0495  H     
22   H        30.9159   44.9055   21.2385  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	| 3.2314
  Crash		| -2.2035
  Polar		| 1.5359
  FragIndex	| 1
  FragRMSD	| 0.706