#---------------------------------------------- LigandID MOL115 # 1 total matches found # Counter= 000001 ProteinConformation= False Bump= -30.951 ConstraintScore= 0 Comboscore= 0.348 Colorscore= -6.065 Scaledcolor= 0.103 PK= 4.720 Quality= 0.900 Pmf= -13.370 Pmf_rb= -13.370 Smog= -104.150 Smog_h= -6.130 Chemscore= -17.900 DockNrg= -24.400 Autodock= -17.370 Surflex= -77.871 MMFF94SinglePt= NaN RMSD= -1.000 MMFF94= -16.704 OptConstraintScore= 4.0 Colorscore= -4.073 Scaledcolor= 0.069 Bump= -25.696 PK= 4.720 Quality= 0.900 Pmf= -13.370 Pmf_rb= -13.370 Smog= -104.150 Smog_h= -104.150 Chemscore= -17.900 DockNrg= -24.400 Autodock= -17.370 Surflex= -77.871 MMFF94SinglePt= NaN OptRMSD= -1.000 Fingerprint= 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MMFF94SinglePt= NaN #---------------------------------------------- BestMMFF94Poise= 1 #----------------------------------------------