#---------------------------------------------- LigandID MOL24 # 26 total matches found # Counter= 000006 ProteinConformation= False Bump= -39.966 ConstraintScore= 0 Comboscore= 0.478 Colorscore= -9.549 Scaledcolor= 0.162 PK= 7.580 Quality= 1.950 Pmf= -74.630 Pmf_rb= -71.630 Smog= -175.810 Smog_h= -7.030 Chemscore= -28.620 DockNrg= -35.450 Autodock= -25.150 Surflex= -116.792 MMFF94SinglePt= NaN RMSD= -1.000 MMFF94= -27.632 OptConstraintScore= 3.0 Colorscore= -5.392 Scaledcolor= 0.091 Bump= -32.663 PK= 7.580 Quality= 1.950 Pmf= -74.630 Pmf_rb= -71.630 Smog= -175.810 Smog_h= -175.810 Chemscore= -28.620 DockNrg= -35.450 Autodock= -25.150 Surflex= -116.792 MMFF94SinglePt= NaN OptRMSD= -1.000 Fingerprint= 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Counter= 000002 ProteinConformation= False Bump= -38.362 ConstraintScore= 0 Comboscore= 0.491 Colorscore= -10.040 Scaledcolor= 0.170 PK= 6.670 Quality= 1.700 Pmf= -72.410 Pmf_rb= -69.410 Smog= -172.510 Smog_h= -6.900 Chemscore= -26.630 DockNrg= -31.600 Autodock= -24.540 Surflex= -111.028 MMFF94SinglePt= NaN RMSD= -1.000 MMFF94= -26.863 OptConstraintScore= 3.0 Colorscore= -5.107 Scaledcolor= 0.087 Bump= -32.653 PK= 6.670 Quality= 1.700 Pmf= -72.410 Pmf_rb= -69.410 Smog= -172.510 Smog_h= -172.510 Chemscore= -26.630 DockNrg= -31.600 Autodock= -24.540 Surflex= -111.028 MMFF94SinglePt= NaN OptRMSD= -1.000 Fingerprint= 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MMFF94SinglePt= NaN #---------------------------------------------- BestMMFF94Poise= 6 #----------------------------------------------