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Ligand1skj_ligand.pdb
Receptor1skj_receptor.pdb
Box center ligand center : (-6.0, 61.9, -8.8) angstrom
Box dimensions ligand-based : (27.1, 21.9, 17.4) angstrom
Runtime 00:14:31

For each ligand conformation, the binding score is reported in kcal/mol, and the heavy-atom RMSD to the original pdb conformation is reported in Å.

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RMSD values are calculated by comparing the original pdb conformation with each fragment conformation, considering all heavy atoms of the ligand.