# File containing a listing of the fitness of the top-ranked
# individual for each ligand docked in GOLD.
#
# Format is:
#
#     Score         DG    S(hbond)   S(metal)    S(lipo)  DE(clash)    DE(int)                               File name                Ligand name

     23.57     -25.45       0.93       0.00     180.07       0.54       1.34  'W:/Mike_Lape/Antibody/Docking/Cocaine and Analogues ChemScore\benzoylecgonine_m1\gold_soln_benzoylecgonine_m1_2.mol2'          'benzoylecgonine'
     24.95     -26.71       1.99       0.00     161.83       0.34       1.42  'W:/Mike_Lape/Antibody/Docking/Cocaine and Analogues ChemScore\benzoylnorecgonine_m1\gold_soln_benzoylnorecgonine_m1_6.mol2'       'benzoylnorecgonine'
     24.36     -26.09       0.93       0.00     185.74       0.88       0.86  'W:/Mike_Lape/Antibody/Docking/Cocaine and Analogues ChemScore\cocaethylene_m1\gold_soln_cocaethylene_m1_26.mol2'             'cocaethylene'
     19.15     -19.26       3.59       0.00      50.01       0.08       0.03  'W:/Mike_Lape/Antibody/Docking/Cocaine and Analogues ChemScore\ecgonine_m1\gold_soln_ecgonine_m1_1.mol2'                 'ecgonine'
     14.92     -15.08       0.99       0.00      91.44       0.06       0.10  'W:/Mike_Lape/Antibody/Docking/Cocaine and Analogues ChemScore\ecgoninemethylester_m1\gold_soln_ecgoninemethylester_m1_12.mol2'      'ecgoninemethylester'
     25.74     -27.28       1.95       0.00     167.83       0.48       1.06  'W:/Mike_Lape/Antibody/Docking/Cocaine and Analogues ChemScore\norcocaine_m1\gold_soln_norcocaine_m1_29.mol2'               'norcocaine'
     22.03     -23.11       0.85       0.00     161.08       0.71       0.37  'W:/Mike_Lape/Antibody/Docking/Cocaine and Analogues ChemScore\cocaine_m1\gold_soln_cocaine_m1_30.mol2'                     '****'