# 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 DNC DNC '3,5-DINITROCATECHOL ' non-polymer 18 14 M # data_comp_DNC # 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 DNC C1 C . 0.000 DNC O1 O . 0.000 DNC C2 C . 0.000 DNC O2 O . 0.000 DNC C3 C . 0.000 DNC N1 N . 0.000 DNC O3 O . 0.000 DNC O4 O . 0.000 DNC C4 C . 0.000 DNC C5 C . 0.000 DNC N2 N . 0.000 DNC O5 O . 0.000 DNC O6 O . 0.000 DNC C6 C . 0.000 DNC HO1 H . 0.000 DNC HO2 H . 0.000 DNC H4 H . 0.000 DNC H6 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 DNC C1 C2 double DNC C1 C6 single DNC C1 O1 single DNC O1 HO1 single DNC C2 C3 single DNC C2 O2 single DNC O2 HO2 single DNC C3 C4 double DNC C3 N1 single DNC N1 O3 double DNC N1 O4 double DNC C4 C5 single DNC C4 H4 single DNC C5 C6 double DNC C5 N2 single DNC N2 O5 double DNC N2 O6 double DNC C6 H6 single