#---------------------------------------------- LigandID MOL96 # 129 total matches found # Counter= 000201 ProteinConformation= False Bump= -31.223 ConstraintScore= 0 Comboscore= 0.576 Colorscore= -12.135 Scaledcolor= 0.206 PK= 7.430 Quality= 1.940 Pmf= -50.800 Pmf_rb= -26.800 Smog= -166.820 Smog_h= -4.910 Chemscore= -19.500 DockNrg= -26.790 Autodock= -23.280 Surflex= -205.147 MMFF94SinglePt= NaN RMSD= -1.000 MMFF94= -27.726 OptConstraintScore= 4.0 Colorscore= -4.309 Scaledcolor= 0.073 Bump= -34.782 PK= 7.430 Quality= 1.940 Pmf= -50.800 Pmf_rb= -26.800 Smog= -166.820 Smog_h= -166.820 Chemscore= -19.500 DockNrg= -26.790 Autodock= -23.280 Surflex= -205.147 MMFF94SinglePt= NaN OptRMSD= -1.000 Fingerprint= 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Counter= 000311 ProteinConformation= False Bump= -32.368 ConstraintScore= 0 Comboscore= 0.577 Colorscore= -11.554 Scaledcolor= 0.196 PK= 6.520 Quality= 1.720 Pmf= -54.010 Pmf_rb= -30.010 Smog= -177.950 Smog_h= -5.230 Chemscore= -20.190 DockNrg= -35.260 Autodock= -26.670 Surflex= -149.870 MMFF94SinglePt= NaN RMSD= -1.000 MMFF94= -29.696 OptConstraintScore= 4.0 Colorscore= -6.240 Scaledcolor= 0.106 Bump= -38.272 PK= 6.520 Quality= 1.720 Pmf= -54.010 Pmf_rb= -30.010 Smog= -177.950 Smog_h= -177.950 Chemscore= -20.190 DockNrg= -35.260 Autodock= -26.670 Surflex= -149.870 MMFF94SinglePt= NaN OptRMSD= -1.000 Fingerprint= 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MMFF94SinglePt= NaN #---------------------------------------------- BestMMFF94Poise= 442 #----------------------------------------------