HEADER    Model coordinates
 for PDB-CCD ACT
COMPND    ACT
AUTHOR    pdbccdutils 0.8.6
AUTHOR    RDKit 2023.09.6
HETATM    1  C   ACT A   1      50.597  -7.080  41.583  1.00 20.00           C
HETATM    2  O   ACT A   1      50.991  -7.218  42.861  1.00 20.00           O
HETATM    3  OXT ACT A   1      51.393  -7.334  40.483  1.00 20.00           O
HETATM    4  CH3 ACT A   1      49.215  -6.884  41.136  1.00 20.00           C
HETATM    5  H1  ACT A   1      48.888  -6.769  40.076  1.00 20.00           H
HETATM    6  H2  ACT A   1      48.620  -7.724  41.563  1.00 20.00           H
HETATM    7  H3  ACT A   1      48.825  -5.996  41.686  1.00 20.00           H
CONECT    1    2    2    3    4
CONECT    4    5    6    7
END