@<TRIPOS>MOLECULE
BindingDB_16427
 17 17 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        18.6520   24.6844   63.4282  C     
2    C        17.8143   23.5501   63.4894  C     
3    C        18.1930   22.3472   62.8634  C     
4    C        19.4253   22.2568   62.1885  C     
5    C        20.2645   23.3859   62.1095  C     
6    C        19.8788   24.5908   62.7205  C     
7    C        18.3107   25.9305   64.1629  C     
8    C        17.0214   26.5124   63.7147  C     
9    O        16.8167   26.8222   62.4174  O     
10   O        16.0349   26.7788   64.6113  O     
11   Cl       19.9083   20.7983   61.4793  Cl    
12   H        16.9377   23.6012   64.0136  H     
13   H        17.6043   21.5239   62.9531  H     
14   H        21.1612   23.3374   61.6226  H     
15   H        20.5161   25.3940   62.6720  H     
16   H        18.2686   25.6969   65.2343  H     
17   H        19.0755   26.7052   64.0357  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    1    7 1
     4    2    3 1
     5    3    4 2
     6    4    5 1
     7    4   11 1
     8    5    6 2
     9    7    8 1
    10    8    9 2
    11    8   10 1
    12    2   12 1
    13    3   13 1
    14    5   14 1
    15    6   15 1
    16    7   16 1
    17    7   17 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.1570
  Crash		| -0.0899
  Polar		| 4.2449
  FragIndex	| 1
  FragRMSD	| 0.110