rendered paste body# 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' '****'