#---------------------------------------------- LigandID MOL88 # 103 total matches found # Counter= 000076 ProteinConformation= False Bump= -37.776 ConstraintScore= 0 Comboscore= 0.525 Colorscore= -10.461 Scaledcolor= 0.177 PK= 9.000 Quality= 2.290 Pmf= -53.060 Pmf_rb= -47.060 Smog= -162.960 Smog_h= -5.820 Chemscore= -25.600 DockNrg= -37.740 Autodock= -25.300 Surflex= -144.259 MMFF94SinglePt= NaN RMSD= -1.000 MMFF94= -29.797 OptConstraintScore= 4.0 Colorscore= -5.375 Scaledcolor= 0.091 Bump= -34.130 PK= 9.000 Quality= 2.290 Pmf= -53.060 Pmf_rb= -47.060 Smog= -162.960 Smog_h= -162.960 Chemscore= -25.600 DockNrg= -37.740 Autodock= -25.300 Surflex= -144.259 MMFF94SinglePt= NaN OptRMSD= -1.000 Fingerprint= 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MMFF94SinglePt= NaN #---------------------------------------------- BestMMFF94Poise= 79 #----------------------------------------------