#---------------------------------------------- LigandID MOL57 # 10 total matches found # Counter= 000007 ProteinConformation= False Bump= -20.799 ConstraintScore= 0 Comboscore= 0.387 Colorscore= -7.111 Scaledcolor= 0.121 PK= 5.980 Quality= 1.440 Pmf= -62.810 Pmf_rb= -56.810 Smog= -104.780 Smog_h= -4.760 Chemscore= -17.700 DockNrg= -16.890 Autodock= -17.730 Surflex= -104.209 MMFF94SinglePt= NaN RMSD= -1.000 MMFF94= -21.162 OptConstraintScore= 5.0 Colorscore= -4.168 Scaledcolor= 0.071 Bump= -23.883 PK= 5.980 Quality= 1.440 Pmf= -62.810 Pmf_rb= -56.810 Smog= -104.780 Smog_h= -104.780 Chemscore= -17.700 DockNrg= -16.890 Autodock= -17.730 Surflex= -104.209 MMFF94SinglePt= NaN OptRMSD= -1.000 Fingerprint= 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Counter= 000010 ProteinConformation= False Bump= -2.464 ConstraintScore= 0 Comboscore= 0.373 Colorscore= -7.337 Scaledcolor= 0.124 PK= -2.070 Quality= -2.570 Pmf= -46.760 Pmf_rb= -40.760 Smog= -168.070 Smog_h= -7.640 Chemscore= -27.780 DockNrg= -22.080 Autodock= 462.150 Surflex= -110.888 MMFF94SinglePt= NaN RMSD= -1.000 MMFF94= 487.929 OptConstraintScore= 3.0 Colorscore= -4.148 Scaledcolor= 0.070 Bump= -28.800 PK= -2.070 Quality= -2.570 Pmf= -46.760 Pmf_rb= -40.760 Smog= -168.070 Smog_h= -168.070 Chemscore= -27.780 DockNrg= -22.080 Autodock= 462.150 Surflex= -110.888 MMFF94SinglePt= NaN OptRMSD= -1.000 Fingerprint= 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MMFF94SinglePt= NaN #---------------------------------------------- BestMMFF94Poise= 9 #----------------------------------------------