HEADER Model coordinates for PDB-CCD CSX COMPND CSX AUTHOR pdbccdutils 0.8.6 AUTHOR RDKit 2023.09.6 HETATM 1 N CSX A 1 41.659 31.786 57.854 1.00 20.00 N HETATM 2 CA CSX A 1 42.086 33.075 57.316 1.00 20.00 C HETATM 3 CB CSX A 1 41.364 33.411 56.000 1.00 20.00 C HETATM 4 SG CSX A 1 42.074 34.830 55.077 1.00 20.00 S HETATM 5 C CSX A 1 41.751 34.115 58.379 1.00 20.00 C HETATM 6 O CSX A 1 40.683 34.061 59.006 1.00 20.00 O HETATM 7 OXT CSX A 1 42.677 35.039 58.598 1.00 20.00 O HETATM 8 OD CSX A 1 40.973 35.450 54.275 1.00 20.00 O HETATM 9 H CSX A 1 42.137 31.563 58.726 1.00 20.00 H HETATM 10 H2 CSX A 1 41.772 31.040 57.167 1.00 20.00 H HETATM 11 HA CSX A 1 43.176 33.054 57.082 1.00 20.00 H HETATM 12 HB2 CSX A 1 41.313 32.509 55.345 1.00 20.00 H HETATM 13 HB3 CSX A 1 40.277 33.575 56.186 1.00 20.00 H HETATM 14 HG CSX A 1 42.565 35.701 55.908 1.00 20.00 H HETATM 15 HXT CSX A 1 42.468 35.687 59.260 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