#---------------------------------------------- LigandID MOL52 # 67 total matches found # Counter= 000075 ProteinConformation= False Bump= -39.869 ConstraintScore= 0 Comboscore= 0.588 Colorscore= -12.718 Scaledcolor= 0.216 PK= 7.760 Quality= 2.070 Pmf= -40.840 Pmf_rb= -34.840 Smog= -176.970 Smog_h= -6.320 Chemscore= -23.100 DockNrg= -21.780 Autodock= -22.270 Surflex= -134.024 MMFF94SinglePt= NaN RMSD= -1.000 MMFF94= -26.661 OptConstraintScore= 3.0 Colorscore= -4.920 Scaledcolor= 0.083 Bump= -31.531 PK= 7.760 Quality= 2.070 Pmf= -40.840 Pmf_rb= -34.840 Smog= -176.970 Smog_h= -176.970 Chemscore= -23.100 DockNrg= -21.780 Autodock= -22.270 Surflex= -134.024 MMFF94SinglePt= NaN OptRMSD= -1.000 Fingerprint= 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MMFF94SinglePt= NaN #---------------------------------------------- BestMMFF94Poise= 26 #----------------------------------------------