@<TRIPOS>MOLECULE
BindingDB_50029101
 22 23 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        27.9354   44.5528   15.8271  C     
2    C        28.1468   45.9295   16.0578  C     
3    C        29.1198   44.0296   17.9219  C     
4    C        28.4109   43.6030   16.7653  C     
5    C        28.8048   46.3641   17.2302  C     
6    C        29.2858   45.4190   18.1799  C     
7    N        30.5875   43.5098   19.9202  N     
8    Cl       27.1256   44.0365   14.4128  Cl    
9    Cl       27.6059   47.0539   14.8980  Cl    
10   Cl       28.1175   41.9468   16.4989  Cl    
11   Cl       29.0045   48.0341   17.4996  Cl    
12   C        29.6441   43.0217   18.8930  C     
13   C        29.9789   45.8739   19.4280  C     
14   C        30.1561   44.7833   20.5138  C     
15   H        30.6437   42.8075   20.6661  H     
16   H        31.5119   43.6359   19.4977  H     
17   H        28.7911   42.5699   19.4039  H     
18   H        30.1738   42.2333   18.3610  H     
19   H        30.9595   46.2724   19.1526  H     
20   H        29.4063   46.6819   19.8916  H     
21   H        29.2081   44.6303   21.0403  H     
22   H        30.8989   45.1075   21.2436  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    4 1
     3    1    8 1
     4    2    5 1
     5    2    9 1
     6    3    4 2
     7    3    6 1
     8    3   12 1
     9    4   10 1
    10    5    6 2
    11    5   11 1
    12    6   13 1
    13    7   12 1
    14    7   14 1
    15   13   14 1
    16    7   15 1
    17    7   16 1
    18   12   17 1
    19   12   18 1
    20   13   19 1
    21   13   20 1
    22   14   21 1
    23   14   22 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 0.9303
  Crash		| -4.1708
  Polar		| 1.0184
  FragIndex	| 1
  FragRMSD	| 0.818