#---------------------------------------------- LigandID MOL91 # 76 total matches found # Counter= 000066 ProteinConformation= False Bump= -13.918 ConstraintScore= 0 Comboscore= 0.633 Colorscore= -13.933 Scaledcolor= 0.236 PK= 6.720 Quality= 1.760 Pmf= -65.340 Pmf_rb= -38.340 Smog= -146.880 Smog_h= -3.870 Chemscore= -21.150 DockNrg= -25.480 Autodock= -26.210 Surflex= -221.276 MMFF94SinglePt= NaN RMSD= -1.000 MMFF94= -27.531 OptConstraintScore= 4.0 Colorscore= -3.770 Scaledcolor= 0.064 Bump= -32.771 PK= 6.720 Quality= 1.760 Pmf= -65.340 Pmf_rb= -38.340 Smog= -146.880 Smog_h= -146.880 Chemscore= -21.150 DockNrg= -25.480 Autodock= -26.210 Surflex= -221.276 MMFF94SinglePt= NaN OptRMSD= -1.000 Fingerprint= 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Counter= 000335 ProteinConformation= False Bump= -20.955 ConstraintScore= 0 Comboscore= 0.644 Colorscore= -13.908 Scaledcolor= 0.236 PK= 7.480 Quality= 2.000 Pmf= -57.240 Pmf_rb= -30.240 Smog= -166.500 Smog_h= -4.380 Chemscore= -23.910 DockNrg= -27.730 Autodock= -28.680 Surflex= -229.678 MMFF94SinglePt= NaN RMSD= -1.000 MMFF94= -20.752 OptConstraintScore= 3.0 Colorscore= -4.951 Scaledcolor= 0.084 Bump= -37.584 PK= 7.480 Quality= 2.000 Pmf= -57.240 Pmf_rb= -30.240 Smog= -166.500 Smog_h= -166.500 Chemscore= -23.910 DockNrg= -27.730 Autodock= -28.680 Surflex= -229.678 MMFF94SinglePt= NaN OptRMSD= -1.000 Fingerprint= 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MMFF94SinglePt= NaN #---------------------------------------------- BestMMFF94Poise= 149 #----------------------------------------------