#---------------------------------------------- LigandID MOL14 # 12 total matches found # Counter= 000003 ProteinConformation= False Bump= -21.390 ConstraintScore= 0 Comboscore= 0.567 Colorscore= -11.645 Scaledcolor= 0.197 PK= 8.680 Quality= 2.100 Pmf= -33.630 Pmf_rb= -33.630 Smog= -152.970 Smog_h= -5.880 Chemscore= -22.590 DockNrg= -34.420 Autodock= -21.120 Surflex= -111.830 MMFF94SinglePt= NaN RMSD= -1.000 MMFF94= -25.268 OptConstraintScore= 4.0 Colorscore= -2.046 Scaledcolor= 0.035 Bump= -28.125 PK= 8.680 Quality= 2.100 Pmf= -33.630 Pmf_rb= -33.630 Smog= -152.970 Smog_h= -152.970 Chemscore= -22.590 DockNrg= -34.420 Autodock= -21.120 Surflex= -111.830 MMFF94SinglePt= NaN OptRMSD= -1.000 Fingerprint= 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Counter= 000010 ProteinConformation= False Bump= -33.637 ConstraintScore= 0 Comboscore= 0.530 Colorscore= -10.672 Scaledcolor= 0.181 PK= 8.990 Quality= 2.390 Pmf= -39.020 Pmf_rb= -39.020 Smog= -166.840 Smog_h= -6.420 Chemscore= -25.550 DockNrg= -37.960 Autodock= -23.930 Surflex= -130.701 MMFF94SinglePt= NaN RMSD= -1.000 MMFF94= -21.850 OptConstraintScore= 3.0 Colorscore= -6.018 Scaledcolor= 0.102 Bump= -32.754 PK= 8.990 Quality= 2.390 Pmf= -39.020 Pmf_rb= -39.020 Smog= -166.840 Smog_h= -166.840 Chemscore= -25.550 DockNrg= -37.960 Autodock= -23.930 Surflex= -130.701 MMFF94SinglePt= NaN OptRMSD= -1.000 Fingerprint= 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MMFF94SinglePt= NaN #---------------------------------------------- BestMMFF94Poise= 11 #----------------------------------------------