# 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 PSS PSS 'ETHYLAMINOBENZYLMETHYLCARBONYL GROUP' non-polymer 27 13 M # data_comp_PSS # 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 PSS C1 C . 0.000 PSS C2 C . 0.000 PSS N N . 0.000 PSS C3 C . 0.000 PSS C C . 0.000 PSS O O . 0.000 PSS 'C'' C . 0.000 PSS 'C1'' C . 0.000 PSS 'C2'' C . 0.000 PSS 'C3'' C . 0.000 PSS 'C4'' C . 0.000 PSS 'C5'' C . 0.000 PSS 'C6'' C . 0.000 PSS H11 H . 0.000 PSS H12 H . 0.000 PSS H21 H . 0.000 PSS H22 H . 0.000 PSS H23 H . 0.000 PSS HN H . 0.000 PSS H3 H . 0.000 PSS 'H'1' H . 0.000 PSS 'H'2' H . 0.000 PSS 'H2'' H . 0.000 PSS 'H3'' H . 0.000 PSS 'H4'' H . 0.000 PSS 'H5'' H . 0.000 PSS '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 PSS C1 C2 single PSS C1 N single PSS C1 H11 single PSS C1 H12 single PSS C2 H21 single PSS C2 H22 single PSS C2 H23 single PSS N C3 single PSS N HN single PSS C3 'C'' single PSS C3 C single PSS C3 H3 single PSS C O double PSS 'C'' 'C1'' single PSS 'C'' 'H'1' single PSS 'C'' 'H'2' single PSS 'C1'' 'C2'' double PSS 'C1'' 'C6'' single PSS 'C2'' 'C3'' single PSS 'C2'' 'H2'' single PSS 'C3'' 'C4'' double PSS 'C3'' 'H3'' single PSS 'C4'' 'C5'' single PSS 'C4'' 'H4'' single PSS 'C5'' 'C6'' double PSS 'C5'' 'H5'' single PSS 'C6'' 'H6'' single