HEADER    Ideal coordinates
 for PDB-CCD ACT
COMPND    ACT
AUTHOR    pdbccdutils 0.8.6
AUTHOR    RDKit 2023.09.6
HETATM    1  C   ACT A   1      -0.072   0.000   0.000  1.00 20.00           C
HETATM    2  O   ACT A   1      -0.682   1.056   0.000  1.00 20.00           O
HETATM    3  OXT ACT A   1      -0.682  -1.056   0.000  1.00 20.00           O
HETATM    4  CH3 ACT A   1       1.435   0.000   0.000  1.00 20.00           C
HETATM    5  H1  ACT A   1       1.799   0.000   1.028  1.00 20.00           H
HETATM    6  H2  ACT A   1       1.799  -0.890  -0.514  1.00 20.00           H
HETATM    7  H3  ACT A   1       1.799   0.890  -0.514  1.00 20.00           H
CONECT    1    2    2    3    4
CONECT    4    5    6    7
END