# 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 CEP CEP 'CEPHALOTHIN GROUP ' non-polymer 42 26 M # data_comp_CEP # 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 CEP S1 S . 0.000 CEP C2 C . 0.000 CEP C3 C . 0.000 CEP 'C3'' C . 0.000 CEP 'C2'' C . 0.000 CEP 'O1'' O . 0.000 CEP 'O2'' O . 0.000 CEP 'C1'' C . 0.000 CEP C4 C . 0.000 CEP 'C4'' C . 0.000 CEP O4A O . 0.000 CEP O4B O . 0.000 CEP N5 N . 0.000 CEP C6 C . 0.000 CEP C7 C . 0.000 CEP C8 C . 0.000 CEP O9 O . 0.000 CEP N10 N . 0.000 CEP C11 C . 0.000 CEP O12 O . 0.000 CEP C13 C . 0.000 CEP C14 C . 0.000 CEP C15 C . 0.000 CEP C16 C . 0.000 CEP C17 C . 0.000 CEP S19 S . 0.000 CEP H21 H . 0.000 CEP H22 H . 0.000 CEP 'H3'1' H . 0.000 CEP 'H3'2' H . 0.000 CEP 'H1'1' H . 0.000 CEP 'H1'2' H . 0.000 CEP 'H1'3' H . 0.000 CEP HO4 H . 0.000 CEP H6 H . 0.000 CEP H7 H . 0.000 CEP HN1 H . 0.000 CEP H131 H . 0.000 CEP H132 H . 0.000 CEP H15 H . 0.000 CEP H16 H . 0.000 CEP H17 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 CEP S1 C2 single CEP S1 C6 single CEP C2 C3 single CEP C2 H21 single CEP C2 H22 single CEP C3 C4 double CEP C3 'C3'' single CEP 'C3'' 'C2'' single CEP 'C3'' 'H3'1' single CEP 'C3'' 'H3'2' single CEP 'C2'' 'O1'' double CEP 'C2'' 'O2'' single CEP 'O2'' 'C1'' single CEP 'C1'' 'H1'1' single CEP 'C1'' 'H1'2' single CEP 'C1'' 'H1'3' single CEP C4 N5 single CEP C4 'C4'' single CEP 'C4'' O4A double CEP 'C4'' O4B single CEP O4B HO4 single CEP N5 C6 single CEP C6 C7 single CEP C6 H6 single CEP C7 C8 single CEP C7 N10 single CEP C7 H7 single CEP C8 O9 double CEP N10 C11 single CEP N10 HN1 single CEP C11 C13 single CEP C11 O12 double CEP C13 C14 single CEP C13 H131 single CEP C13 H132 single CEP C14 C15 double CEP C14 S19 single CEP C15 C16 single CEP C15 H15 single CEP C16 C17 double CEP C16 H16 single CEP C17 S19 single CEP C17 H17 single