HEADER    Ideal coordinates
 for PDB-CCD PEG
COMPND    PEG
AUTHOR    pdbccdutils 0.8.6
AUTHOR    RDKit 2023.09.6
HETATM    1  C1  PEG A   1      -2.339  -0.042  -0.588  1.00 20.00           C
HETATM    2  O1  PEG A   1      -2.667  -0.784   0.588  1.00 20.00           O
HETATM    3  C2  PEG A   1      -1.162   0.890  -0.292  1.00 20.00           C
HETATM    4  O2  PEG A   1       0.000   0.112   0.000  1.00 20.00           O
HETATM    5  C3  PEG A   1       1.162   0.890   0.292  1.00 20.00           C
HETATM    6  C4  PEG A   1       2.339  -0.042   0.588  1.00 20.00           C
HETATM    7  O4  PEG A   1       2.667  -0.784  -0.589  1.00 20.00           O
HETATM    8  H11 PEG A   1      -2.065  -0.731  -1.388  1.00 20.00           H
HETATM    9  H12 PEG A   1      -3.201   0.549  -0.897  1.00 20.00           H
HETATM   10  HO1 PEG A   1      -3.406  -1.397   0.473  1.00 20.00           H
HETATM   11  H21 PEG A   1      -0.969   1.519  -1.161  1.00 20.00           H
HETATM   12  H22 PEG A   1      -1.403   1.519   0.565  1.00 20.00           H
HETATM   13  H31 PEG A   1       1.403   1.519  -0.564  1.00 20.00           H
HETATM   14  H32 PEG A   1       0.969   1.518   1.162  1.00 20.00           H
HETATM   15  H41 PEG A   1       3.201   0.548   0.898  1.00 20.00           H
HETATM   16  H42 PEG A   1       2.065  -0.731   1.387  1.00 20.00           H
HETATM   17  HO4 PEG A   1       3.406  -1.397  -0.474  1.00 20.00           H
CONECT    1    2    3    8    9
CONECT    2   10
CONECT    3    4   11   12
CONECT    4    5
CONECT    5    6   13   14
CONECT    6    7   15   16
CONECT    7   17
END