HEADER    Model coordinates
 for PDB-CCD PCA
COMPND    PCA
AUTHOR    pdbccdutils 0.8.6
AUTHOR    RDKit 2023.09.6
HETATM    1  N   PCA A   1      38.821  57.719  67.990  1.00 20.00           N
HETATM    2  CA  PCA A   1      38.455  58.883  67.183  1.00 20.00           C
HETATM    3  CB  PCA A   1      37.375  59.639  67.947  1.00 20.00           C
HETATM    4  CG  PCA A   1      37.746  59.312  69.375  1.00 20.00           C
HETATM    5  CD  PCA A   1      38.398  57.930  69.250  1.00 20.00           C
HETATM    6  OE  PCA A   1      38.575  57.133  70.197  1.00 20.00           O
HETATM    7  C   PCA A   1      39.640  59.813  66.967  1.00 20.00           C
HETATM    8  O   PCA A   1      40.560  59.863  67.790  1.00 20.00           O
HETATM    9  OXT PCA A   1      39.626  60.540  65.853  1.00 20.00           O
HETATM   10  H   PCA A   1      39.309  56.868  67.709  1.00 20.00           H
HETATM   11  HA  PCA A   1      38.103  58.540  66.181  1.00 20.00           H
HETATM   12  HB2 PCA A   1      37.293  60.725  67.710  1.00 20.00           H
HETATM   13  HB3 PCA A   1      36.325  59.396  67.657  1.00 20.00           H
HETATM   14  HG2 PCA A   1      38.375  60.080  69.881  1.00 20.00           H
HETATM   15  HG3 PCA A   1      36.900  59.365  70.100  1.00 20.00           H
HETATM   16  HXT PCA A   1      40.365  61.120  65.718  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