#---------------------------------------------- LigandID MOL78 # 216 total matches found # Counter= 000138 ProteinConformation= False Bump= -32.573 ConstraintScore= 0 Comboscore= 0.513 Colorscore= -9.406 Scaledcolor= 0.159 PK= 7.770 Quality= 2.040 Pmf= -64.370 Pmf_rb= -55.370 Smog= -163.020 Smog_h= -5.820 Chemscore= -21.090 DockNrg= -35.000 Autodock= -23.120 Surflex= -144.499 MMFF94SinglePt= NaN RMSD= -1.000 MMFF94= -17.375 OptConstraintScore= 3.0 Colorscore= -5.740 Scaledcolor= 0.097 Bump= -34.251 PK= 7.770 Quality= 2.040 Pmf= -64.370 Pmf_rb= -55.370 Smog= -163.020 Smog_h= -163.020 Chemscore= -21.090 DockNrg= -35.000 Autodock= -23.120 Surflex= -144.499 MMFF94SinglePt= NaN OptRMSD= -1.000 Fingerprint= 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Counter= 000209 ProteinConformation= False Bump= -33.482 ConstraintScore= 0 Comboscore= 0.505 Colorscore= -9.787 Scaledcolor= 0.166 PK= 6.450 Quality= 1.610 Pmf= -63.110 Pmf_rb= -54.110 Smog= -147.210 Smog_h= -5.260 Chemscore= -18.640 DockNrg= -29.570 Autodock= -20.860 Surflex= -146.679 MMFF94SinglePt= NaN RMSD= -1.000 MMFF94= -24.419 OptConstraintScore= 4.0 Colorscore= -1.727 Scaledcolor= 0.029 Bump= -30.325 PK= 6.450 Quality= 1.610 Pmf= -63.110 Pmf_rb= -54.110 Smog= -147.210 Smog_h= -147.210 Chemscore= -18.640 DockNrg= -29.570 Autodock= -20.860 Surflex= -146.679 MMFF94SinglePt= NaN OptRMSD= -1.000 Fingerprint= 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MMFF94SinglePt= NaN #---------------------------------------------- BestMMFF94Poise= 231 #----------------------------------------------