HEADER    Ideal coordinates
 for PDB-CCD PCA
COMPND    PCA
AUTHOR    pdbccdutils 0.8.6
AUTHOR    RDKit 2023.09.6
HETATM    1  N   PCA A   1       0.713   0.531  -0.633  1.00 20.00           N
HETATM    2  CA  PCA A   1      -0.328   0.539   0.400  1.00 20.00           C
HETATM    3  CB  PCA A   1      -1.455  -0.368  -0.140  1.00 20.00           C
HETATM    4  CG  PCA A   1      -1.232  -0.272  -1.667  1.00 20.00           C
HETATM    5  CD  PCA A   1       0.231   0.082  -1.807  1.00 20.00           C
HETATM    6  OE  PCA A   1       0.876  -0.019  -2.829  1.00 20.00           O
HETATM    7  C   PCA A   1       0.214  -0.015   1.691  1.00 20.00           C
HETATM    8  O   PCA A   1       1.122  -0.812   1.672  1.00 20.00           O
HETATM    9  OXT PCA A   1      -0.311   0.374   2.863  1.00 20.00           O
HETATM   10  H   PCA A   1       1.631   0.810  -0.489  1.00 20.00           H
HETATM   11  HA  PCA A   1      -0.700   1.552   0.552  1.00 20.00           H
HETATM   12  HB2 PCA A   1      -1.331  -1.393   0.208  1.00 20.00           H
HETATM   13  HB3 PCA A   1      -2.435   0.019   0.136  1.00 20.00           H
HETATM   14  HG2 PCA A   1      -1.439  -1.230  -2.144  1.00 20.00           H
HETATM   15  HG3 PCA A   1      -1.857   0.511  -2.095  1.00 20.00           H
HETATM   16  HXT PCA A   1       0.036   0.018   3.692  1.00 20.00           H
CONECT    1    2    5   10
CONECT    2    3    7   11
CONECT    3    4   12   13
CONECT    4    5   14   15
CONECT    5    6    6
CONECT    7    8    8    9
CONECT    9   16
END