ligandFiles: /data/data/PGG_scipionChem/Runs/010681_ProtChemImportSmallMolecules/extra/decoys_2_1a28.pdb
outputDir: /data/data/PGG_scipionChem/Runs/010762_ProtChemRDKitPrepareLigands/extra
doHydrogens: True
doGasteiger: True
ffMethod: MMFF94
restrainMethod: ETKDGv3
numConf: 5
rmsThres: 0.5
numAtoms: 5
