# 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 EDR EDR 'EDROPHONIUM ION ' non-polymer 28 12 M # data_comp_EDR # 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 EDR C1 C . 0.000 EDR C2 C . 0.000 EDR C3 C . 0.000 EDR C4 C . 0.000 EDR C5 C . 0.000 EDR C6 C . 0.000 EDR O4 O . 0.000 EDR N2 N . 1.000 EDR C7 C . 0.000 EDR C8 C . 0.000 EDR C9 C . 0.000 EDR C10 C . 0.000 EDR H1 H . 0.000 EDR H3 H . 0.000 EDR H5 H . 0.000 EDR H6 H . 0.000 EDR H71 H . 0.000 EDR H72 H . 0.000 EDR H73 H . 0.000 EDR H81 H . 0.000 EDR H82 H . 0.000 EDR H83 H . 0.000 EDR H91 H . 0.000 EDR H92 H . 0.000 EDR H101 H . 0.000 EDR H102 H . 0.000 EDR H103 H . 0.000 EDR HO4 H . 0.000 loop_ _chem_comp_bond.comp_id _chem_comp_bond.atom_id_1 _chem_comp_bond.atom_id_2 _chem_comp_bond.type EDR C1 C2 double EDR C1 C6 single EDR C1 H1 single EDR C2 C3 single EDR C2 N2 single EDR C3 C4 double EDR C3 H3 single EDR C4 C5 single EDR C4 O4 single EDR C5 C6 double EDR C5 H5 single EDR C6 H6 single EDR O4 HO4 single EDR N2 C7 single EDR N2 C8 single EDR N2 C9 single EDR C7 H71 single EDR C7 H72 single EDR C7 H73 single EDR C8 H81 single EDR C8 H82 single EDR C8 H83 single EDR C9 C10 single EDR C9 H91 single EDR C9 H92 single EDR C10 H101 single EDR C10 H102 single EDR C10 H103 single