HEADER    Model coordinates
 for PDB-CCD ACY
COMPND    ACY
AUTHOR    pdbccdutils 0.8.6
AUTHOR    RDKit 2023.09.6
HETATM    1  C   ACY A   1      -8.682   8.170   3.803  1.00 20.00           C
HETATM    2  O   ACY A   1      -9.467   8.524   4.783  1.00 20.00           O
HETATM    3  OXT ACY A   1      -8.192   7.009   3.580  1.00 20.00           O
HETATM    4  CH3 ACY A   1      -8.402   9.294   2.821  1.00 20.00           C
HETATM    5  HXT ACY A   1      -8.487   6.406   4.252  1.00 20.00           H
HETATM    6  H1  ACY A   1      -8.931  10.203   3.143  1.00 20.00           H
HETATM    7  H2  ACY A   1      -7.320   9.492   2.789  1.00 20.00           H
HETATM    8  H3  ACY A   1      -8.751   9.001   1.820  1.00 20.00           H
CONECT    1    2    2    3    4
CONECT    3    5
CONECT    4    6    7    8
END