#---------------------------------------------- LigandID MOL12 # 255 total matches found # Counter= 000156 ProteinConformation= False Bump= -35.392 ConstraintScore= 0 Comboscore= 0.390 Colorscore= -6.074 Scaledcolor= 0.103 PK= 4.650 Quality= 0.970 Pmf= -48.230 Pmf_rb= -33.230 Smog= -133.170 Smog_h= -4.930 Chemscore= -14.710 DockNrg= -21.060 Autodock= -26.260 Surflex= -184.327 MMFF94SinglePt= NaN RMSD= -1.000 MMFF94= -26.560 OptConstraintScore= 4.0 Colorscore= -1.192 Scaledcolor= 0.020 Bump= -31.027 PK= 4.650 Quality= 0.970 Pmf= -48.230 Pmf_rb= -33.230 Smog= -133.170 Smog_h= -133.170 Chemscore= -14.710 DockNrg= -21.060 Autodock= -26.260 Surflex= -184.327 MMFF94SinglePt= NaN OptRMSD= -1.000 Fingerprint= 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Counter= 000019 ProteinConformation= False Bump= -35.096 ConstraintScore= 0 Comboscore= 0.374 Colorscore= -5.903 Scaledcolor= 0.100 PK= 5.860 Quality= 1.530 Pmf= -46.000 Pmf_rb= -31.000 Smog= -125.310 Smog_h= -4.640 Chemscore= -16.050 DockNrg= -24.270 Autodock= -26.060 Surflex= -168.927 MMFF94SinglePt= NaN RMSD= -1.000 MMFF94= -20.902 OptConstraintScore= 4.0 Colorscore= -2.809 Scaledcolor= 0.048 Bump= -32.106 PK= 5.860 Quality= 1.530 Pmf= -46.000 Pmf_rb= -31.000 Smog= -125.310 Smog_h= -125.310 Chemscore= -16.050 DockNrg= -24.270 Autodock= -26.060 Surflex= -168.927 MMFF94SinglePt= NaN OptRMSD= -1.000 Fingerprint= 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MMFF94SinglePt= NaN #---------------------------------------------- BestMMFF94Poise= 68 #----------------------------------------------