HEADER Ideal coordinates for PDB-CCD EDO COMPND EDO AUTHOR pdbccdutils 0.8.6 AUTHOR RDKit 2023.09.6 HETATM 1 C1 EDO A 1 -0.609 -0.282 0.710 1.00 20.00 C HETATM 2 O1 EDO A 1 0.557 0.167 1.402 1.00 20.00 O HETATM 3 C2 EDO A 1 -0.609 0.282 -0.710 1.00 20.00 C HETATM 4 O2 EDO A 1 0.557 -0.167 -1.402 1.00 20.00 O HETATM 5 H11 EDO A 1 -0.609 -1.372 0.668 1.00 20.00 H HETATM 6 H12 EDO A 1 -1.499 0.060 1.238 1.00 20.00 H HETATM 7 HO1 EDO A 1 0.518 -0.210 2.291 1.00 20.00 H HETATM 8 H21 EDO A 1 -1.499 -0.060 -1.238 1.00 20.00 H HETATM 9 H22 EDO A 1 -0.609 1.371 -0.668 1.00 20.00 H HETATM 10 HO2 EDO A 1 0.518 0.210 -2.291 1.00 20.00 H CONECT 1 2 3 5 6 CONECT 2 7 CONECT 3 4 8 9 CONECT 4 10 END