# data_comp_list loop_ _chem_comp.id _chem_comp.three_letter_code _chem_comp.name _chem_comp.group _chem_comp.number_atoms_all _chem_comp.number_atoms_nh _chem_comp.desc_level BCT . 'BICARBONATE ION ' non-polymer 5 4 . # data_comp_BCT # loop_ _chem_comp_atom.comp_id _chem_comp_atom.atom_id _chem_comp_atom.type_symbol _chem_comp_atom.type_energy _chem_comp_atom.partial_charge BCT O2 O O 0.000 BCT C C C 0.000 BCT O1 O O 0.000 BCT O3 O OH1 0.000 BCT HO3 H HOH1 0.000 loop_ _chem_comp_tree.comp_id _chem_comp_tree.atom_id _chem_comp_tree.atom_back _chem_comp_tree.atom_forward _chem_comp_tree.connect_type BCT O2 n/a C START BCT C O2 O3 . BCT O1 C . . BCT O3 C HO3 . BCT HO3 O3 . END loop_ _chem_comp_bond.comp_id _chem_comp_bond.atom_id_1 _chem_comp_bond.atom_id_2 _chem_comp_bond.type _chem_comp_bond.value_dist _chem_comp_bond.value_dist_esd BCT C O2 coval 1.310 0.020 BCT O1 C coval 1.310 0.020 BCT O3 C coval 1.310 0.020 BCT HO3 O3 coval 0.980 0.020 loop_ _chem_comp_angle.comp_id _chem_comp_angle.atom_id_1 _chem_comp_angle.atom_id_2 _chem_comp_angle.atom_id_3 _chem_comp_angle.value_angle _chem_comp_angle.value_angle_esd BCT O2 C O1 120.000 3.000 BCT O2 C O3 120.000 3.000 BCT O1 C O3 120.000 3.000 BCT C O3 HO3 109.470 3.000 loop_ _chem_comp_tor.comp_id _chem_comp_tor.id _chem_comp_tor.atom_id_1 _chem_comp_tor.atom_id_2 _chem_comp_tor.atom_id_3 _chem_comp_tor.atom_id_4 _chem_comp_tor.value_angle _chem_comp_tor.value_angle_esd _chem_comp_tor.period BCT var_1 O2 C O3 HO3 0.000 20.000 1 loop_ _chem_comp_plane_atom.comp_id _chem_comp_plane_atom.plane_id _chem_comp_plane_atom.atom_id _chem_comp_plane_atom.dist_esd BCT plan-1 C 0.020 BCT plan-1 O1 0.020 BCT plan-1 O2 0.020 BCT plan-1 O3 0.020