Documentation 16.2.8.0 File Formats Molecule Formats Molecule formats are able to store only chemically relevant information of the molecule. Molecule Formats CML MDL MOL files Daylight SMILES related formats ChemAxon SMILES extensions IUPAC InChI and InChIKey Name Sequences (peptide, DNA, RNA) FASTA file format Protein Data Bank (PDB) file format Tripos SYBYL MOL and MOL2 formats XYZ format Gaussian related file formats Markush DARC format (VMN)