#---------------------------------------------- LigandID MOL25 # 13 total matches found # Counter= 000012 ProteinConformation= False Bump= -37.167 ConstraintScore= 0 Comboscore= 0.503 Colorscore= -10.366 Scaledcolor= 0.176 PK= 8.050 Quality= 2.110 Pmf= -69.770 Pmf_rb= -69.770 Smog= -170.870 Smog_h= -6.830 Chemscore= -24.770 DockNrg= -37.060 Autodock= -24.490 Surflex= -92.645 MMFF94SinglePt= NaN RMSD= -1.000 MMFF94= -26.256 OptConstraintScore= 3.0 Colorscore= -5.071 Scaledcolor= 0.086 Bump= -34.109 PK= 8.050 Quality= 2.110 Pmf= -69.770 Pmf_rb= -69.770 Smog= -170.870 Smog_h= -170.870 Chemscore= -24.770 DockNrg= -37.060 Autodock= -24.490 Surflex= -92.645 MMFF94SinglePt= NaN OptRMSD= -1.000 Fingerprint= 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Counter= 000009 ProteinConformation= False Bump= -22.919 ConstraintScore= 0 Comboscore= 0.497 Colorscore= -10.217 Scaledcolor= 0.173 PK= 7.340 Quality= 1.780 Pmf= -48.680 Pmf_rb= -48.680 Smog= -136.820 Smog_h= -5.470 Chemscore= -21.910 DockNrg= -29.160 Autodock= -21.470 Surflex= -128.149 MMFF94SinglePt= NaN RMSD= -1.000 MMFF94= -23.399 OptConstraintScore= 4.0 Colorscore= -3.202 Scaledcolor= 0.054 Bump= -28.634 PK= 7.340 Quality= 1.780 Pmf= -48.680 Pmf_rb= -48.680 Smog= -136.820 Smog_h= -136.820 Chemscore= -21.910 DockNrg= -29.160 Autodock= -21.470 Surflex= -128.149 MMFF94SinglePt= NaN OptRMSD= -1.000 Fingerprint= 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MMFF94SinglePt= NaN #---------------------------------------------- BestMMFF94Poise= 7 #----------------------------------------------