#---------------------------------------------- LigandID MOL69 # 94 total matches found # Counter= 000036 ProteinConformation= False Bump= -33.200 ConstraintScore= 0 Comboscore= 0.527 Colorscore= -9.779 Scaledcolor= 0.166 PK= 6.020 Quality= 1.470 Pmf= -52.500 Pmf_rb= -43.500 Smog= -153.170 Smog_h= -5.670 Chemscore= -19.130 DockNrg= -33.010 Autodock= -22.430 Surflex= -122.336 MMFF94SinglePt= NaN RMSD= -1.000 MMFF94= -20.776 OptConstraintScore= 3.0 Colorscore= -3.891 Scaledcolor= 0.066 Bump= -32.199 PK= 6.020 Quality= 1.470 Pmf= -52.500 Pmf_rb= -43.500 Smog= -153.170 Smog_h= -153.170 Chemscore= -19.130 DockNrg= -33.010 Autodock= -22.430 Surflex= -122.336 MMFF94SinglePt= NaN OptRMSD= -1.000 Fingerprint= 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Counter= 000043 ProteinConformation= False Bump= -31.607 ConstraintScore= 0 Comboscore= 0.539 Colorscore= -10.032 Scaledcolor= 0.170 PK= 6.710 Quality= 1.560 Pmf= -60.270 Pmf_rb= -51.270 Smog= -162.240 Smog_h= -6.010 Chemscore= -22.760 DockNrg= -34.330 Autodock= -24.580 Surflex= -113.591 MMFF94SinglePt= NaN RMSD= -1.000 MMFF94= -27.235 OptConstraintScore= 3.0 Colorscore= -5.455 Scaledcolor= 0.092 Bump= -34.608 PK= 6.710 Quality= 1.560 Pmf= -60.270 Pmf_rb= -51.270 Smog= -162.240 Smog_h= -162.240 Chemscore= -22.760 DockNrg= -34.330 Autodock= -24.580 Surflex= -113.591 MMFF94SinglePt= NaN OptRMSD= -1.000 Fingerprint= 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MMFF94SinglePt= NaN #---------------------------------------------- BestMMFF94Poise= 83 #----------------------------------------------