#---------------------------------------------- LigandID MOL112 # 7 total matches found # Counter= 000006 ProteinConformation= False Bump= -35.051 ConstraintScore= 0 Comboscore= 0.419 Colorscore= -6.960 Scaledcolor= 0.118 PK= 6.830 Quality= 1.660 Pmf= -56.420 Pmf_rb= -56.420 Smog= -98.440 Smog_h= -3.650 Chemscore= -22.380 DockNrg= -30.800 Autodock= -21.920 Surflex= -109.602 MMFF94SinglePt= NaN RMSD= -1.000 MMFF94= -20.330 OptConstraintScore= 4.0 Colorscore= -1.283 Scaledcolor= 0.022 Bump= -31.441 PK= 6.830 Quality= 1.660 Pmf= -56.420 Pmf_rb= -56.420 Smog= -98.440 Smog_h= -98.440 Chemscore= -22.380 DockNrg= -30.800 Autodock= -21.920 Surflex= -109.602 MMFF94SinglePt= NaN OptRMSD= -1.000 Fingerprint= 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Counter= 000001 ProteinConformation= False Bump= -32.142 ConstraintScore= 0 Comboscore= 0.417 Colorscore= -5.888 Scaledcolor= 0.100 PK= 6.370 Quality= 1.510 Pmf= -63.110 Pmf_rb= -63.110 Smog= -113.280 Smog_h= -4.200 Chemscore= -23.670 DockNrg= -21.030 Autodock= -23.860 Surflex= -101.863 MMFF94SinglePt= NaN RMSD= -1.000 MMFF94= -20.850 OptConstraintScore= 4.0 Colorscore= -2.294 Scaledcolor= 0.039 Bump= -33.814 PK= 6.370 Quality= 1.510 Pmf= -63.110 Pmf_rb= -63.110 Smog= -113.280 Smog_h= -113.280 Chemscore= -23.670 DockNrg= -21.030 Autodock= -23.860 Surflex= -101.863 MMFF94SinglePt= NaN OptRMSD= -1.000 Fingerprint= 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MMFF94SinglePt= NaN #---------------------------------------------- BestMMFF94Poise= 3 #----------------------------------------------