#---------------------------------------------- LigandID MOL85 # 217 total matches found # Counter= 000168 ProteinConformation= False Bump= -35.241 ConstraintScore= 0 Comboscore= 0.654 Colorscore= -13.817 Scaledcolor= 0.234 PK= 8.090 Quality= 2.190 Pmf= -79.650 Pmf_rb= -70.650 Smog= -155.710 Smog_h= -4.870 Chemscore= -26.560 DockNrg= -29.260 Autodock= -23.390 Surflex= -174.854 MMFF94SinglePt= NaN RMSD= -1.000 MMFF94= -25.906 OptConstraintScore= 4.0 Colorscore= -6.334 Scaledcolor= 0.107 Bump= -36.948 PK= 8.090 Quality= 2.190 Pmf= -79.650 Pmf_rb= -70.650 Smog= -155.710 Smog_h= -155.710 Chemscore= -26.560 DockNrg= -29.260 Autodock= -23.390 Surflex= -174.854 MMFF94SinglePt= NaN OptRMSD= -1.000 Fingerprint= 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MMFF94SinglePt= NaN #---------------------------------------------- BestMMFF94Poise= 138 #----------------------------------------------