#---------------------------------------------- LigandID MOL97 # 46 total matches found # Counter= 000049 ProteinConformation= False Bump= -43.396 ConstraintScore= 0 Comboscore= 0.584 Colorscore= -11.311 Scaledcolor= 0.192 PK= 8.750 Quality= 2.270 Pmf= -64.390 Pmf_rb= -58.390 Smog= -170.970 Smog_h= -5.900 Chemscore= -26.450 DockNrg= -38.510 Autodock= -25.250 Surflex= -115.565 MMFF94SinglePt= NaN RMSD= -1.000 MMFF94= -29.267 OptConstraintScore= 4.0 Colorscore= -3.151 Scaledcolor= 0.053 Bump= -33.894 PK= 8.750 Quality= 2.270 Pmf= -64.390 Pmf_rb= -58.390 Smog= -170.970 Smog_h= -170.970 Chemscore= -26.450 DockNrg= -38.510 Autodock= -25.250 Surflex= -115.565 MMFF94SinglePt= NaN OptRMSD= -1.000 Fingerprint= 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Counter= 000033 ProteinConformation= False Bump= -46.449 ConstraintScore= 0 Comboscore= 0.552 Colorscore= -9.295 Scaledcolor= 0.158 PK= 7.920 Quality= 1.940 Pmf= -60.410 Pmf_rb= -54.410 Smog= -151.470 Smog_h= -5.220 Chemscore= -22.850 DockNrg= -37.570 Autodock= -24.680 Surflex= -159.190 MMFF94SinglePt= NaN RMSD= -1.000 MMFF94= -27.686 OptConstraintScore= 3.0 Colorscore= -3.570 Scaledcolor= 0.061 Bump= -32.268 PK= 7.920 Quality= 1.940 Pmf= -60.410 Pmf_rb= -54.410 Smog= -151.470 Smog_h= -151.470 Chemscore= -22.850 DockNrg= -37.570 Autodock= -24.680 Surflex= -159.190 MMFF94SinglePt= NaN OptRMSD= -1.000 Fingerprint= 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MMFF94SinglePt= NaN #---------------------------------------------- BestMMFF94Poise= 49 #----------------------------------------------