HEADER    Model coordinates
 for PDB-CCD CIT
COMPND    CIT
AUTHOR    pdbccdutils 0.8.6
AUTHOR    RDKit 2023.09.6
HETATM    1  C1  CIT A   1      68.418  48.385  33.023  1.00 20.00           C
HETATM    2  O1  CIT A   1      68.820  47.571  32.398  1.00 20.00           O
HETATM    3  O2  CIT A   1      68.637  49.556  32.978  1.00 20.00           O
HETATM    4  C2  CIT A   1      67.483  48.069  34.223  1.00 20.00           C
HETATM    5  C3  CIT A   1      65.935  48.115  34.049  1.00 20.00           C
HETATM    6  O7  CIT A   1      65.489  49.422  33.583  1.00 20.00           O
HETATM    7  C4  CIT A   1      65.539  47.145  32.912  1.00 20.00           C
HETATM    8  C5  CIT A   1      64.042  46.992  32.792  1.00 20.00           C
HETATM    9  O3  CIT A   1      63.650  46.281  31.741  1.00 20.00           O
HETATM   10  O4  CIT A   1      63.222  47.369  33.585  1.00 20.00           O
HETATM   11  C6  CIT A   1      65.260  47.776  35.354  1.00 20.00           C
HETATM   12  O5  CIT A   1      65.325  46.558  35.726  1.00 20.00           O
HETATM   13  O6  CIT A   1      64.722  48.718  36.017  1.00 20.00           O
HETATM   14  HO2 CIT A   1      68.290  50.257  33.516  1.00 20.00           H
HETATM   15  H21 CIT A   1      67.760  47.068  34.629  1.00 20.00           H
HETATM   16  H22 CIT A   1      67.760  48.739  35.069  1.00 20.00           H
HETATM   17  HO7 CIT A   1      64.545  49.450  33.476  1.00 20.00           H
HETATM   18  H41 CIT A   1      65.992  47.453  31.941  1.00 20.00           H
HETATM   19  H42 CIT A   1      66.037  46.155  33.033  1.00 20.00           H
HETATM   20  HO4 CIT A   1      62.279  47.272  33.509  1.00 20.00           H
HETATM   21  HO6 CIT A   1      64.296  48.504  36.839  1.00 20.00           H
CONECT    1    2    2    3    4
CONECT    3   14
CONECT    4    5   15   16
CONECT    5    6    7   11
CONECT    6   17
CONECT    7    8   18   19
CONECT    8    9    9   10
CONECT   10   20
CONECT   11   12   12   13
CONECT   13   21
END