# 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 NIO NIO 'NICOTINIC ACID ' non-polymer 14 9 M # data_comp_NIO # 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 NIO N N . 0.000 NIO C1 C . 0.000 NIO C2 C . 0.000 NIO C3 C . 0.000 NIO C4 C . 0.000 NIO C5 C . 0.000 NIO C6 C . 0.000 NIO O1 O . 0.000 NIO O2 O . 0.000 NIO H1 H . 0.000 NIO H3 H . 0.000 NIO H4 H . 0.000 NIO H5 H . 0.000 NIO HO2 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 NIO N C1 double NIO N C5 single NIO C1 C2 single NIO C1 H1 single NIO C2 C3 double NIO C2 C6 single NIO C3 C4 single NIO C3 H3 single NIO C4 C5 double NIO C4 H4 single NIO C5 H5 single NIO C6 O1 double NIO C6 O2 single NIO O2 HO2 single