#---------------------------------------------- LigandID MOL17 # 48 total matches found # Counter= 000044 ProteinConformation= False Bump= -41.680 ConstraintScore= 0 Comboscore= 0.537 Colorscore= -8.218 Scaledcolor= 0.139 PK= 8.490 Quality= 2.310 Pmf= -47.120 Pmf_rb= -44.120 Smog= -166.370 Smog_h= -6.160 Chemscore= -22.020 DockNrg= -39.350 Autodock= -23.240 Surflex= -110.541 MMFF94SinglePt= NaN RMSD= -1.000 MMFF94= -26.085 OptConstraintScore= 4.0 Colorscore= -3.515 Scaledcolor= 0.060 Bump= -35.043 PK= 8.490 Quality= 2.310 Pmf= -47.120 Pmf_rb= -44.120 Smog= -166.370 Smog_h= -166.370 Chemscore= -22.020 DockNrg= -39.350 Autodock= -23.240 Surflex= -110.541 MMFF94SinglePt= NaN OptRMSD= -1.000 Fingerprint= 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MMFF94SinglePt= NaN #---------------------------------------------- BestMMFF94Poise= 39 #----------------------------------------------