#---------------------------------------------- LigandID MOL6 # 56 total matches found # Counter= 000025 ProteinConformation= False Bump= -29.869 ConstraintScore= 0 Comboscore= 0.395 Colorscore= -7.432 Scaledcolor= 0.126 PK= 5.920 Quality= 1.330 Pmf= -34.990 Pmf_rb= -31.990 Smog= -134.180 Smog_h= -6.710 Chemscore= -12.840 DockNrg= -14.510 Autodock= -22.010 Surflex= -153.912 MMFF94SinglePt= NaN RMSD= -1.000 MMFF94= -18.540 OptConstraintScore= 4.0 Colorscore= -3.554 Scaledcolor= 0.060 Bump= -27.296 PK= 5.920 Quality= 1.330 Pmf= -34.990 Pmf_rb= -31.990 Smog= -134.180 Smog_h= -134.180 Chemscore= -12.840 DockNrg= -14.510 Autodock= -22.010 Surflex= -153.912 MMFF94SinglePt= NaN OptRMSD= -1.000 Fingerprint= 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Counter= 000062 ProteinConformation= False Bump= -24.176 ConstraintScore= 0 Comboscore= 0.369 Colorscore= -6.242 Scaledcolor= 0.106 PK= 5.720 Quality= 1.210 Pmf= -35.240 Pmf_rb= -32.240 Smog= -107.390 Smog_h= -5.370 Chemscore= -11.830 DockNrg= -11.640 Autodock= -18.000 Surflex= -126.420 MMFF94SinglePt= NaN RMSD= -1.000 MMFF94= -19.414 OptConstraintScore= 3.0 Colorscore= -2.239 Scaledcolor= 0.038 Bump= -22.961 PK= 5.720 Quality= 1.210 Pmf= -35.240 Pmf_rb= -32.240 Smog= -107.390 Smog_h= -107.390 Chemscore= -11.830 DockNrg= -11.640 Autodock= -18.000 Surflex= -126.420 MMFF94SinglePt= NaN OptRMSD= -1.000 Fingerprint= 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MMFF94SinglePt= NaN #---------------------------------------------- BestMMFF94Poise= 49 #----------------------------------------------