#---------------------------------------------- LigandID MOL77 # 479 total matches found # Counter= 000037 ProteinConformation= False Bump= -33.695 ConstraintScore= 0 Comboscore= 0.534 Colorscore= -9.632 Scaledcolor= 0.163 PK= 7.250 Quality= 2.020 Pmf= -53.270 Pmf_rb= -41.270 Smog= -119.990 Smog_h= -4.000 Chemscore= -17.350 DockNrg= -43.760 Autodock= -21.800 Surflex= -119.637 MMFF94SinglePt= NaN RMSD= -1.000 MMFF94= -27.969 OptConstraintScore= 3.0 Colorscore= -3.669 Scaledcolor= 0.062 Bump= -35.972 PK= 7.250 Quality= 2.020 Pmf= -53.270 Pmf_rb= -41.270 Smog= -119.990 Smog_h= -119.990 Chemscore= -17.350 DockNrg= -43.760 Autodock= -21.800 Surflex= -119.637 MMFF94SinglePt= NaN OptRMSD= -1.000 Fingerprint= 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MMFF94SinglePt= NaN #---------------------------------------------- BestMMFF94Poise= 34 #----------------------------------------------