HEADER    Ideal coordinates
 for PDB-CCD ACY
COMPND    ACY
AUTHOR    pdbccdutils 0.8.6
AUTHOR    RDKit 2023.09.6
HETATM    1  C   ACY A   1       0.012  -0.056   0.002  1.00 20.00           C
HETATM    2  O   ACY A   1       0.261  -1.238  -0.000  1.00 20.00           O
HETATM    3  OXT ACY A   1       1.011   0.840  -0.000  1.00 20.00           O
HETATM    4  CH3 ACY A   1      -1.421   0.412  -0.000  1.00 20.00           C
HETATM    5  HXT ACY A   1       1.913   0.493  -0.003  1.00 20.00           H
HETATM    6  H1  ACY A   1      -1.768   0.523   1.027  1.00 20.00           H
HETATM    7  H2  ACY A   1      -1.489   1.372  -0.512  1.00 20.00           H
HETATM    8  H3  ACY A   1      -2.042  -0.320  -0.517  1.00 20.00           H
CONECT    1    2    2    3    4
CONECT    3    5
CONECT    4    6    7    8
END