# 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 AFA AFA 'N-(1-OXO-7-METHYLOCTADIEN-2,3-4,5-YL' non-polymer 39 19 M # data_comp_AFA # 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 AFA N N . 0.000 AFA CA C . 0.000 AFA CB C . 0.000 AFA CG C . 0.000 AFA OD1 O . 0.000 AFA ND2 N . 0.000 AFA C C . 0.000 AFA O O . 0.000 AFA OXT O . 0.000 AFA C1 C . 0.000 AFA O1 O . 0.000 AFA C2 C . 0.000 AFA C3 C . 0.000 AFA C4 C . 0.000 AFA C5 C . 0.000 AFA C6 C . 0.000 AFA C7 C . 0.000 AFA C8 C . 0.000 AFA C9 C . 0.000 AFA HN H . 0.000 AFA HA H . 0.000 AFA HB1 H . 0.000 AFA HB2 H . 0.000 AFA HND1 H . 0.000 AFA HND2 H . 0.000 AFA HXT H . 0.000 AFA H2 H . 0.000 AFA H3 H . 0.000 AFA H4 H . 0.000 AFA H5 H . 0.000 AFA H61 H . 0.000 AFA H62 H . 0.000 AFA H7 H . 0.000 AFA H81 H . 0.000 AFA H82 H . 0.000 AFA H83 H . 0.000 AFA H91 H . 0.000 AFA H92 H . 0.000 AFA H93 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 AFA N CA single AFA N C1 single AFA N HN single AFA CA CB single AFA CA C single AFA CA HA single AFA CB CG single AFA CB HB1 single AFA CB HB2 single AFA CG OD1 double AFA CG ND2 single AFA ND2 HND1 single AFA ND2 HND2 single AFA C O double AFA C OXT single AFA OXT HXT single AFA C1 C2 single AFA C1 O1 double AFA C2 C3 double AFA C2 H2 single AFA C3 C4 single AFA C3 H3 single AFA C4 C5 double AFA C4 H4 single AFA C5 C6 single AFA C5 H5 single AFA C6 C7 single AFA C6 H61 single AFA C6 H62 single AFA C7 C8 single AFA C7 C9 single AFA C7 H7 single AFA C8 H81 single AFA C8 H82 single AFA C8 H83 single AFA C9 H91 single AFA C9 H92 single AFA C9 H93 single