#---------------------------------------------- LigandID MOL28 # 243 total matches found # Counter= 000114 ProteinConformation= False Bump= -31.493 ConstraintScore= 0 Comboscore= 0.391 Colorscore= -7.974 Scaledcolor= 0.135 PK= 5.460 Quality= 1.170 Pmf= -68.040 Pmf_rb= -53.040 Smog= -90.080 Smog_h= -4.500 Chemscore= -12.320 DockNrg= -12.570 Autodock= -19.620 Surflex= -131.523 MMFF94SinglePt= NaN RMSD= -1.000 MMFF94= -21.510 OptConstraintScore= 3.0 Colorscore= -2.155 Scaledcolor= 0.037 Bump= -26.163 PK= 5.460 Quality= 1.170 Pmf= -68.040 Pmf_rb= -53.040 Smog= -90.080 Smog_h= -90.080 Chemscore= -12.320 DockNrg= -12.570 Autodock= -19.620 Surflex= -131.523 MMFF94SinglePt= NaN OptRMSD= -1.000 Fingerprint= 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Counter= 000080 ProteinConformation= False Bump= -31.212 ConstraintScore= 0 Comboscore= 0.396 Colorscore= -6.370 Scaledcolor= 0.108 PK= 5.040 Quality= 1.030 Pmf= -33.010 Pmf_rb= -18.010 Smog= -107.650 Smog_h= -5.380 Chemscore= -14.110 DockNrg= -16.040 Autodock= -16.880 Surflex= -115.133 MMFF94SinglePt= NaN RMSD= -1.000 MMFF94= -20.606 OptConstraintScore= 3.0 Colorscore= -3.292 Scaledcolor= 0.056 Bump= -23.345 PK= 5.040 Quality= 1.030 Pmf= -33.010 Pmf_rb= -18.010 Smog= -107.650 Smog_h= -107.650 Chemscore= -14.110 DockNrg= -16.040 Autodock= -16.880 Surflex= -115.133 MMFF94SinglePt= NaN OptRMSD= -1.000 Fingerprint= 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MMFF94SinglePt= NaN #---------------------------------------------- BestMMFF94Poise= 27 #----------------------------------------------