#---------------------------------------------- LigandID MOL4 # 2 total matches found # Counter= 000002 ProteinConformation= False Bump= -10.072 ConstraintScore= 0 Comboscore= 0.326 Colorscore= -6.794 Scaledcolor= 0.115 PK= 6.500 Quality= 1.390 Pmf= -27.790 Pmf_rb= -27.790 Smog= -90.530 Smog_h= -6.960 Chemscore= -16.820 DockNrg= -18.920 Autodock= -14.600 Surflex= -106.340 MMFF94SinglePt= NaN RMSD= -1.000 MMFF94= -16.498 OptConstraintScore= 1.0 Colorscore= -3.904 Scaledcolor= 0.066 Bump= -18.073 PK= 6.500 Quality= 1.390 Pmf= -27.790 Pmf_rb= -27.790 Smog= -90.530 Smog_h= -90.530 Chemscore= -16.820 DockNrg= -18.920 Autodock= -14.600 Surflex= -106.340 MMFF94SinglePt= NaN OptRMSD= -1.000 Fingerprint= 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Counter= 000001 ProteinConformation= False Bump= -16.517 ConstraintScore= 0 Comboscore= 0.334 Colorscore= -6.525 Scaledcolor= 0.111 PK= 6.780 Quality= 1.600 Pmf= -27.870 Pmf_rb= -27.870 Smog= -88.230 Smog_h= -6.790 Chemscore= -16.820 DockNrg= -22.240 Autodock= -14.970 Surflex= -105.421 MMFF94SinglePt= NaN RMSD= -1.000 MMFF94= -16.508 OptConstraintScore= 1.0 Colorscore= -3.835 Scaledcolor= 0.065 Bump= -18.078 PK= 6.780 Quality= 1.600 Pmf= -27.870 Pmf_rb= -27.870 Smog= -88.230 Smog_h= -88.230 Chemscore= -16.820 DockNrg= -22.240 Autodock= -14.970 Surflex= -105.421 MMFF94SinglePt= NaN OptRMSD= -1.000 Fingerprint= 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MMFF94SinglePt= NaN #---------------------------------------------- BestMMFF94Poise= 1 #----------------------------------------------