#---------------------------------------------- LigandID MOL83 # 264 total matches found # Counter= 000250 ProteinConformation= False Bump= -33.332 ConstraintScore= 0 Comboscore= 0.542 Colorscore= -11.509 Scaledcolor= 0.195 PK= 8.210 Quality= 2.030 Pmf= -53.970 Pmf_rb= -50.970 Smog= -158.350 Smog_h= -5.460 Chemscore= -22.390 DockNrg= -36.210 Autodock= -23.210 Surflex= -125.377 MMFF94SinglePt= NaN RMSD= -1.000 MMFF94= -24.984 OptConstraintScore= 4.0 Colorscore= -3.456 Scaledcolor= 0.059 Bump= -30.098 PK= 8.210 Quality= 2.030 Pmf= -53.970 Pmf_rb= -50.970 Smog= -158.350 Smog_h= -158.350 Chemscore= -22.390 DockNrg= -36.210 Autodock= -23.210 Surflex= -125.377 MMFF94SinglePt= NaN OptRMSD= -1.000 Fingerprint= 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Counter= 000248 ProteinConformation= False Bump= -34.684 ConstraintScore= 0 Comboscore= 0.557 Colorscore= -10.651 Scaledcolor= 0.181 PK= 8.650 Quality= 2.240 Pmf= -56.310 Pmf_rb= -53.310 Smog= -168.270 Smog_h= -5.800 Chemscore= -23.340 DockNrg= -32.510 Autodock= -23.880 Surflex= -110.123 MMFF94SinglePt= NaN RMSD= -1.000 MMFF94= -25.851 OptConstraintScore= 3.0 Colorscore= -3.812 Scaledcolor= 0.065 Bump= -31.598 PK= 8.650 Quality= 2.240 Pmf= -56.310 Pmf_rb= -53.310 Smog= -168.270 Smog_h= -168.270 Chemscore= -23.340 DockNrg= -32.510 Autodock= -23.880 Surflex= -110.123 MMFF94SinglePt= NaN OptRMSD= -1.000 Fingerprint= 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MMFF94SinglePt= NaN #---------------------------------------------- BestMMFF94Poise= 138 #----------------------------------------------