HEADER    Ideal coordinates
 for PDB-CCD OXY
COMPND    OXY
AUTHOR    pdbccdutils 0.8.6
AUTHOR    RDKit 2023.09.6
HETATM    1  O1  OXY A   1       0.000   0.000  -0.501  1.00 20.00           O
HETATM    2  O2  OXY A   1       0.000   0.000   0.501  1.00 20.00           O
CONECT    1    2    2
END