#---------------------------------------------- LigandID MOL56 # 8 total matches found # Counter= 000005 ProteinConformation= False Bump= -35.770 ConstraintScore= 0 Comboscore= 0.526 Colorscore= -11.110 Scaledcolor= 0.188 PK= 7.390 Quality= 2.060 Pmf= -75.520 Pmf_rb= -72.520 Smog= -162.100 Smog_h= -6.000 Chemscore= -22.340 DockNrg= -34.940 Autodock= -22.160 Surflex= -113.333 MMFF94SinglePt= NaN RMSD= -1.000 MMFF94= -27.358 OptConstraintScore= 4.0 Colorscore= -4.113 Scaledcolor= 0.070 Bump= -32.818 PK= 7.390 Quality= 2.060 Pmf= -75.520 Pmf_rb= -72.520 Smog= -162.100 Smog_h= -162.100 Chemscore= -22.340 DockNrg= -34.940 Autodock= -22.160 Surflex= -113.333 MMFF94SinglePt= NaN OptRMSD= -1.000 Fingerprint= 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Counter= 000001 ProteinConformation= False Bump= -30.063 ConstraintScore= 0 Comboscore= 0.541 Colorscore= -11.894 Scaledcolor= 0.202 PK= 7.590 Quality= 2.070 Pmf= -75.070 Pmf_rb= -72.070 Smog= -167.670 Smog_h= -6.210 Chemscore= -22.560 DockNrg= -32.800 Autodock= -22.270 Surflex= -113.818 MMFF94SinglePt= NaN RMSD= -1.000 MMFF94= -27.470 OptConstraintScore= 4.0 Colorscore= -4.073 Scaledcolor= 0.069 Bump= -33.074 PK= 7.590 Quality= 2.070 Pmf= -75.070 Pmf_rb= -72.070 Smog= -167.670 Smog_h= -167.670 Chemscore= -22.560 DockNrg= -32.800 Autodock= -22.270 Surflex= -113.818 MMFF94SinglePt= NaN OptRMSD= -1.000 Fingerprint= 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MMFF94SinglePt= NaN #---------------------------------------------- BestMMFF94Poise= 1 #----------------------------------------------