# 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 MNC MNC 'METHYL ISOCYANIDE ' non-polymer 6 3 M # data_comp_MNC # 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 MNC C C . -1.000 MNC N N . 1.000 MNC C1 C . 0.000 MNC H11 H . 0.000 MNC H12 H . 0.000 MNC H13 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 MNC C N triple MNC N C1 single MNC C1 H11 single MNC C1 H12 single MNC C1 H13 single