@<TRIPOS>MOLECULE
BindingDB_14061
 25 26 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        29.3747   46.3830   16.9410  C     
2    C        28.3893   46.1363   15.9802  C     
3    C        27.8556   44.8448   15.8417  C     
4    C        28.2467   43.8238   16.7395  C     
5    C        29.1913   44.0818   17.7849  C     
6    C        29.8062   45.3675   17.8314  C     
7    C        30.9714   45.6567   18.7087  C     
8    C        29.4940   42.9858   18.7700  C     
9    C        30.0161   44.3893   20.7794  C     
10   C        30.6370   45.6939   20.2194  C     
11   N        30.3417   43.1980   19.9697  N     
12   Cl       27.5733   42.2724   16.5275  Cl    
13   Cl       26.7978   44.5917   14.5336  Cl    
14   H        29.8010   47.3145   16.9510  H     
15   H        28.1030   46.8965   15.3525  H     
16   H        31.7441   44.9097   18.5163  H     
17   H        31.4247   46.6127   18.4506  H     
18   H        28.5414   42.6298   19.1601  H     
19   H        29.9536   42.1658   18.2166  H     
20   H        30.4007   44.2208   21.7863  H     
21   H        28.9311   44.4946   20.8633  H     
22   H        31.5683   45.8997   20.7596  H     
23   H        29.9551   46.5288   20.4184  H     
24   H        30.2246   42.3798   20.5758  H     
25   H        31.3284   43.2388   19.6901  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 2
     3    2    3 2
     4    3    4 1
     5    3   13 1
     6    4    5 2
     7    4   12 1
     8    5    6 1
     9    5    8 1
    10    6    7 1
    11    7   10 1
    12    8   11 1
    13    9   10 1
    14    9   11 1
    15    1   14 1
    16    2   15 1
    17    7   16 1
    18    7   17 1
    19    8   18 1
    20    8   19 1
    21    9   20 1
    22    9   21 1
    23   10   22 1
    24   10   23 1
    25   11   24 1
    26   11   25 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.4025
  Crash		| -1.1991
  Polar		| 1.8069
  FragIndex	| 1
  FragRMSD	| 0.960