HEADER    Ideal coordinates
 for PDB-CCD CSX
COMPND    CSX
AUTHOR    pdbccdutils 0.8.6
AUTHOR    RDKit 2023.09.6
HETATM    1  N   CSX A   1       1.094  -2.077   1.588  1.00 20.00           N
HETATM    2  CA  CSX A   1       1.330  -0.632   1.619  1.00 20.00           C
HETATM    3  CB  CSX A   1       1.068  -0.026   0.243  1.00 20.00           C
HETATM    4  SG  CSX A   1       1.344   1.776   0.235  1.00 20.00           S
HETATM    5  C   CSX A   1       0.384  -0.069   2.661  1.00 20.00           C
HETATM    6  O   CSX A   1      -0.738  -0.488   2.910  1.00 20.00           O
HETATM    7  OXT CSX A   1       0.937   1.004   3.284  1.00 20.00           O
HETATM    8  OD  CSX A   1       2.822   2.000   0.228  1.00 20.00           O
HETATM    9  H   CSX A   1       0.330  -2.412   1.046  1.00 20.00           H
HETATM   10  H2  CSX A   1       1.569  -2.640   2.257  1.00 20.00           H
HETATM   11  HA  CSX A   1       2.364  -0.469   1.944  1.00 20.00           H
HETATM   12  HB2 CSX A   1       1.755  -0.439  -0.504  1.00 20.00           H
HETATM   13  HB3 CSX A   1       0.041  -0.203  -0.097  1.00 20.00           H
HETATM   14  HG  CSX A   1       1.051   2.029  -1.051  1.00 20.00           H
HETATM   15  HXT CSX A   1       0.330   1.393   3.949  1.00 20.00           H
CONECT    1    2    9   10
CONECT    2    3    5   11
CONECT    3    4   12   13
CONECT    4    8    8   14
CONECT    5    6    6    7
CONECT    7   15
END