#---------------------------------------------- LigandID MOL55 # 185 total matches found # Counter= 000086 ProteinConformation= False Bump= -44.749 ConstraintScore= 0 Comboscore= 0.486 Colorscore= -8.330 Scaledcolor= 0.141 PK= 6.760 Quality= 1.580 Pmf= -85.980 Pmf_rb= -73.980 Smog= -178.090 Smog_h= -6.600 Chemscore= -22.850 DockNrg= -28.730 Autodock= -22.690 Surflex= -145.720 MMFF94SinglePt= NaN RMSD= -1.000 MMFF94= -28.077 OptConstraintScore= 3.0 Colorscore= -4.099 Scaledcolor= 0.069 Bump= -33.516 PK= 6.760 Quality= 1.580 Pmf= -85.980 Pmf_rb= -73.980 Smog= -178.090 Smog_h= -178.090 Chemscore= -22.850 DockNrg= -28.730 Autodock= -22.690 Surflex= -145.720 MMFF94SinglePt= NaN OptRMSD= -1.000 Fingerprint= 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MMFF94SinglePt= NaN #---------------------------------------------- BestMMFF94Poise= 69 #----------------------------------------------