#---------------------------------------------- LigandID MOL54 # 256 total matches found # Counter= 000104 ProteinConformation= False Bump= -40.391 ConstraintScore= 0 Comboscore= 0.557 Colorscore= -9.808 Scaledcolor= 0.166 PK= 6.670 Quality= 1.750 Pmf= -72.790 Pmf_rb= -60.790 Smog= -171.610 Smog_h= -5.050 Chemscore= -27.540 DockNrg= -32.670 Autodock= -26.470 Surflex= -117.443 MMFF94SinglePt= NaN RMSD= -1.000 MMFF94= -29.525 OptConstraintScore= 5.0 Colorscore= -5.021 Scaledcolor= 0.085 Bump= -37.435 PK= 6.670 Quality= 1.750 Pmf= -72.790 Pmf_rb= -60.790 Smog= -171.610 Smog_h= -171.610 Chemscore= -27.540 DockNrg= -32.670 Autodock= -26.470 Surflex= -117.443 MMFF94SinglePt= NaN OptRMSD= -1.000 Fingerprint= 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Counter= 000048 ProteinConformation= False Bump= -22.412 ConstraintScore= 0 Comboscore= 0.560 Colorscore= -12.111 Scaledcolor= 0.205 PK= 7.110 Quality= 1.840 Pmf= -70.090 Pmf_rb= -58.090 Smog= -187.830 Smog_h= -5.520 Chemscore= -25.850 DockNrg= -34.540 Autodock= -27.830 Surflex= -161.147 MMFF94SinglePt= NaN RMSD= -1.000 MMFF94= -31.157 OptConstraintScore= 5.0 Colorscore= -4.540 Scaledcolor= 0.077 Bump= -38.111 PK= 7.110 Quality= 1.840 Pmf= -70.090 Pmf_rb= -58.090 Smog= -187.830 Smog_h= -187.830 Chemscore= -25.850 DockNrg= -34.540 Autodock= -27.830 Surflex= -161.147 MMFF94SinglePt= NaN OptRMSD= -1.000 Fingerprint= 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MMFF94SinglePt= NaN #---------------------------------------------- BestMMFF94Poise= 93 #----------------------------------------------