#---------------------------------------------- LigandID MOL111 # 110 total matches found # Counter= 000070 ProteinConformation= False Bump= -29.858 ConstraintScore= 0 Comboscore= 0.472 Colorscore= -9.625 Scaledcolor= 0.163 PK= 8.420 Quality= 2.250 Pmf= -28.570 Pmf_rb= -19.570 Smog= -153.630 Smog_h= -5.490 Chemscore= -21.460 DockNrg= -30.130 Autodock= -24.460 Surflex= -129.806 MMFF94SinglePt= NaN RMSD= -1.000 MMFF94= -27.671 OptConstraintScore= 3.0 Colorscore= -3.095 Scaledcolor= 0.052 Bump= -33.245 PK= 8.420 Quality= 2.250 Pmf= -28.570 Pmf_rb= -19.570 Smog= -153.630 Smog_h= -153.630 Chemscore= -21.460 DockNrg= -30.130 Autodock= -24.460 Surflex= -129.806 MMFF94SinglePt= NaN OptRMSD= -1.000 Fingerprint= 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Counter= 000011 ProteinConformation= False Bump= -29.317 ConstraintScore= 0 Comboscore= 0.485 Colorscore= -9.165 Scaledcolor= 0.155 PK= 8.280 Quality= 2.140 Pmf= -53.870 Pmf_rb= -44.870 Smog= -156.930 Smog_h= -5.600 Chemscore= -23.170 DockNrg= -28.760 Autodock= -26.660 Surflex= -165.715 MMFF94SinglePt= NaN RMSD= -1.000 MMFF94= -29.770 OptConstraintScore= 3.0 Colorscore= -3.879 Scaledcolor= 0.066 Bump= -33.263 PK= 8.280 Quality= 2.140 Pmf= -53.870 Pmf_rb= -44.870 Smog= -156.930 Smog_h= -156.930 Chemscore= -23.170 DockNrg= -28.760 Autodock= -26.660 Surflex= -165.715 MMFF94SinglePt= NaN OptRMSD= -1.000 Fingerprint= 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MMFF94SinglePt= NaN #---------------------------------------------- BestMMFF94Poise= 11 #----------------------------------------------