HEADER    Model coordinates
 for PDB-CCD SO4
COMPND    SO4
AUTHOR    pdbccdutils 0.8.6
AUTHOR    RDKit 2023.09.6
HETATM    1  S   SO4 A   1      16.485  34.924   5.575  1.00 20.00           S
HETATM    2  O1  SO4 A   1      17.741  34.891   4.826  1.00 20.00           O
HETATM    3  O2  SO4 A   1      16.787  35.826   6.733  1.00 20.00           O
HETATM    4  O3  SO4 A   1      15.440  35.551   4.401  1.00 20.00           O
HETATM    5  O4  SO4 A   1      16.141  33.720   5.930  1.00 20.00           O
CONECT    1    2    2    3    3    4    5
END