#---------------------------------------------- LigandID MOL2 # 5 total matches found # Counter= 000001 ProteinConformation= False Bump= -20.549 ConstraintScore= 0 Comboscore= 0.224 Colorscore= -2.946 Scaledcolor= 0.050 PK= 5.720 Quality= 1.140 Pmf= -45.720 Pmf_rb= -42.720 Smog= -66.380 Smog_h= -6.030 Chemscore= -12.070 DockNrg= -17.180 Autodock= -11.360 Surflex= -42.871 MMFF94SinglePt= NaN RMSD= -1.000 MMFF94= -14.666 OptConstraintScore= 4.0 Colorscore= -0.459 Scaledcolor= 0.008 Bump= -15.235 PK= 5.720 Quality= 1.140 Pmf= -45.720 Pmf_rb= -42.720 Smog= -66.380 Smog_h= -66.380 Chemscore= -12.070 DockNrg= -17.180 Autodock= -11.360 Surflex= -42.871 MMFF94SinglePt= NaN OptRMSD= -1.000 Fingerprint= 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Counter= 000003 ProteinConformation= False Bump= -23.195 ConstraintScore= 0 Comboscore= 0.220 Colorscore= -2.370 Scaledcolor= 0.040 PK= 5.720 Quality= 1.140 Pmf= -26.620 Pmf_rb= -23.620 Smog= -67.850 Smog_h= -6.170 Chemscore= -13.030 DockNrg= -18.230 Autodock= -11.350 Surflex= -41.870 MMFF94SinglePt= NaN RMSD= -1.000 MMFF94= -14.094 OptConstraintScore= 4.0 Colorscore= -0.005 Scaledcolor= 0.000 Bump= -16.303 PK= 5.720 Quality= 1.140 Pmf= -26.620 Pmf_rb= -23.620 Smog= -67.850 Smog_h= -67.850 Chemscore= -13.030 DockNrg= -18.230 Autodock= -11.350 Surflex= -41.870 MMFF94SinglePt= NaN OptRMSD= -1.000 Fingerprint= 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MMFF94SinglePt= NaN #---------------------------------------------- BestMMFF94Poise= 2 #----------------------------------------------