#---------------------------------------------- LigandID MOL42 # 57 total matches found # Counter= 000030 ProteinConformation= False Bump= -32.220 ConstraintScore= 0 Comboscore= 0.433 Colorscore= -8.746 Scaledcolor= 0.148 PK= 6.970 Quality= 1.760 Pmf= -57.940 Pmf_rb= -45.940 Smog= -115.060 Smog_h= -4.430 Chemscore= -19.770 DockNrg= -31.190 Autodock= -22.600 Surflex= -151.979 MMFF94SinglePt= NaN RMSD= -1.000 MMFF94= -9.708 OptConstraintScore= 1.0 Colorscore= -3.382 Scaledcolor= 0.057 Bump= -34.077 PK= 6.970 Quality= 1.760 Pmf= -57.940 Pmf_rb= -45.940 Smog= -115.060 Smog_h= -115.060 Chemscore= -19.770 DockNrg= -31.190 Autodock= -22.600 Surflex= -151.979 MMFF94SinglePt= NaN OptRMSD= -1.000 Fingerprint= 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Counter= 000031 ProteinConformation= False Bump= -35.862 ConstraintScore= 0 Comboscore= 0.406 Colorscore= -7.250 Scaledcolor= 0.123 PK= 6.080 Quality= 1.360 Pmf= -68.000 Pmf_rb= -56.000 Smog= -79.870 Smog_h= -3.070 Chemscore= -14.650 DockNrg= -25.480 Autodock= -22.240 Surflex= -144.670 MMFF94SinglePt= NaN RMSD= -1.000 MMFF94= -26.459 OptConstraintScore= 0.0 Colorscore= -1.991 Scaledcolor= 0.034 Bump= -28.886 PK= 6.080 Quality= 1.360 Pmf= -68.000 Pmf_rb= -56.000 Smog= -79.870 Smog_h= -79.870 Chemscore= -14.650 DockNrg= -25.480 Autodock= -22.240 Surflex= -144.670 MMFF94SinglePt= NaN OptRMSD= -1.000 Fingerprint= 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MMFF94SinglePt= NaN #---------------------------------------------- BestMMFF94Poise= 34 #----------------------------------------------