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


@<TRIPOS>ATOM
1    C        26.7557   43.8321   15.4130  C     
2    C        27.2293   45.1571   15.2900  C     
3    C        27.4616   43.8099   17.7682  C     
4    C        26.8749   43.1561   16.6498  C     
5    C        27.8157   45.8112   16.3989  C     
6    C        27.9792   45.1274   17.6341  C     
7    N        27.9449   43.9520   20.2201  N     
8    Cl       26.0579   43.0465   14.0659  Cl    
9    Cl       27.1712   45.9240   13.7714  Cl    
10   Cl       26.3439   41.5398   16.7755  Cl    
11   Cl       28.3471   47.4223   16.2343  Cl    
12   C        27.5494   43.1058   19.0801  C     
13   C        28.6999   45.7869   18.7716  C     
14   C        29.0769   44.8409   19.9365  C     
15   H        27.1442   44.5264   20.4954  H     
16   H        28.1895   43.3355   20.9898  H     
17   H        26.5693   42.6994   19.3362  H     
18   H        28.2530   42.2753   18.9953  H     
19   H        29.6345   46.2283   18.4123  H     
20   H        28.0697   46.5914   19.1551  H     
21   H        29.3084   45.4236   20.8298  H     
22   H        29.9588   44.2480   19.6809  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	| 2.8251
  Crash		| -3.3416
  Polar		| 2.3721
  FragIndex	| 1
  FragRMSD	| 0.560