#---------------------------------------------- LigandID MOL68 # 241 total matches found # Counter= 000108 ProteinConformation= False Bump= -35.930 ConstraintScore= 0 Comboscore= 0.653 Colorscore= -14.590 Scaledcolor= 0.247 PK= 8.170 Quality= 2.230 Pmf= -69.620 Pmf_rb= -60.620 Smog= -149.050 Smog_h= -4.520 Chemscore= -22.620 DockNrg= -22.440 Autodock= -22.330 Surflex= -155.990 MMFF94SinglePt= NaN RMSD= -1.000 MMFF94= -26.897 OptConstraintScore= 3.0 Colorscore= -5.372 Scaledcolor= 0.091 Bump= -34.680 PK= 8.170 Quality= 2.230 Pmf= -69.620 Pmf_rb= -60.620 Smog= -149.050 Smog_h= -149.050 Chemscore= -22.620 DockNrg= -22.440 Autodock= -22.330 Surflex= -155.990 MMFF94SinglePt= NaN OptRMSD= -1.000 Fingerprint= 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MMFF94SinglePt= NaN #---------------------------------------------- BestMMFF94Poise= 9 #----------------------------------------------