@<TRIPOS>MOLECULE
BindingDB_13014
 22 23 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        28.7940   46.5552   17.4763  C     
2    C        28.1725   46.2917   16.2520  C     
3    C        27.9269   44.9609   15.8547  C     
4    C        28.3373   43.8923   16.6863  C     
5    Cl       27.1435   44.7158   14.3678  Cl    
6    Cl       28.0139   42.2901   16.2050  Cl    
7    C        29.2090   45.5045   18.3263  C     
8    C        29.0093   44.1591   17.9156  C     
9    C        29.8655   45.8484   19.6178  C     
10   C        29.4667   43.0512   18.8079  C     
11   C        29.9299   44.6594   20.6081  C     
12   N        30.3632   43.4308   19.9249  N     
13   H        28.9451   47.5301   17.7459  H     
14   H        27.9107   47.0830   15.6560  H     
15   H        30.8770   46.2053   19.4109  H     
16   H        29.3150   46.6551   20.1080  H     
17   H        28.5808   42.5727   19.2298  H     
18   H        30.0153   42.3173   18.2201  H     
19   H        30.6257   44.8811   21.4204  H     
20   H        28.9400   44.4922   21.0429  H     
21   H        30.3867   42.6681   20.6149  H     
22   H        31.3091   43.5775   19.5631  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    7 2
     3    2    3 2
     4    3    4 1
     5    3    5 1
     6    4    6 1
     7    4    8 2
     8    7    8 1
     9    7    9 1
    10    8   10 1
    11    9   11 1
    12   10   12 1
    13   11   12 1
    14    1   13 1
    15    2   14 1
    16    9   15 1
    17    9   16 1
    18   10   17 1
    19   10   18 1
    20   11   19 1
    21   11   20 1
    22   12   21 1
    23   12   22 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.8821
  Crash		| -0.6362
  Polar		| 1.8388
  FragIndex	| 1
  FragRMSD	| 0.703