# 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 CCN CCN 'ACETONITRILE ' non-polymer 6 3 M # data_comp_CCN # 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 CCN N N . 0.000 CCN C1 C . 0.000 CCN C2 C . 0.000 CCN H21 H . 0.000 CCN H22 H . 0.000 CCN H23 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 CCN N C1 triple CCN C1 C2 single CCN C2 H21 single CCN C2 H22 single CCN C2 H23 single