HEADER Ideal coordinates for PDB-CCD GAL COMPND GAL AUTHOR pdbccdutils 0.8.6 AUTHOR RDKit 2023.09.6 HETATM 1 C1 GAL A 1 0.516 1.409 -0.191 1.00 20.00 C HETATM 2 C2 GAL A 1 1.522 0.302 0.136 1.00 20.00 C HETATM 3 C3 GAL A 1 1.103 -0.986 -0.578 1.00 20.00 C HETATM 4 C4 GAL A 1 -0.322 -1.352 -0.152 1.00 20.00 C HETATM 5 C5 GAL A 1 -1.258 -0.182 -0.468 1.00 20.00 C HETATM 6 C6 GAL A 1 -2.672 -0.516 0.009 1.00 20.00 C HETATM 7 O1 GAL A 1 0.870 2.599 0.517 1.00 20.00 O HETATM 8 O2 GAL A 1 2.823 0.693 -0.308 1.00 20.00 O HETATM 9 O3 GAL A 1 1.995 -2.044 -0.220 1.00 20.00 O HETATM 10 O4 GAL A 1 -0.348 -1.618 1.251 1.00 20.00 O HETATM 11 O5 GAL A 1 -0.793 0.992 0.202 1.00 20.00 O HETATM 12 O6 GAL A 1 -3.567 0.525 -0.389 1.00 20.00 O HETATM 13 H1 GAL A 1 0.528 1.606 -1.263 1.00 20.00 H HETATM 14 H2 GAL A 1 1.540 0.132 1.213 1.00 20.00 H HETATM 15 H3 GAL A 1 1.133 -0.831 -1.657 1.00 20.00 H HETATM 16 H4 GAL A 1 -0.650 -2.237 -0.698 1.00 20.00 H HETATM 17 H5 GAL A 1 -1.269 -0.006 -1.544 1.00 20.00 H HETATM 18 H61 GAL A 1 -2.992 -1.459 -0.434 1.00 20.00 H HETATM 19 H62 GAL A 1 -2.678 -0.604 1.095 1.00 20.00 H HETATM 20 HO1 GAL A 1 0.274 3.343 0.357 1.00 20.00 H HETATM 21 HO2 GAL A 1 3.151 1.506 0.100 1.00 20.00 H HETATM 22 HO3 GAL A 1 2.918 -1.876 -0.455 1.00 20.00 H HETATM 23 HO4 GAL A 1 0.227 -2.347 1.524 1.00 20.00 H HETATM 24 HO6 GAL A 1 -4.484 0.379 -0.119 1.00 20.00 H CONECT 1 2 7 11 13 CONECT 2 3 8 14 CONECT 3 4 9 15 CONECT 4 5 10 16 CONECT 5 6 11 17 CONECT 6 12 18 19 CONECT 7 20 CONECT 8 21 CONECT 9 22 CONECT 10 23 CONECT 12 24 END