# 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 AOP AOP 'PENTYLOXYAMINO-ACETALDEHYDE ' non-polymer 25 10 M # data_comp_AOP # 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 AOP O1 O . 0.000 AOP C1 C . 0.000 AOP C2 C . 0.000 AOP N3 N . 0.000 AOP O4 O . 0.000 AOP C5 C . 0.000 AOP C6 C . 0.000 AOP C7 C . 0.000 AOP C8 C . 0.000 AOP C9 C . 0.000 AOP H1 H . 0.000 AOP H21 H . 0.000 AOP H22 H . 0.000 AOP HN3 H . 0.000 AOP H51 H . 0.000 AOP H52 H . 0.000 AOP H61 H . 0.000 AOP H62 H . 0.000 AOP H71 H . 0.000 AOP H72 H . 0.000 AOP H81 H . 0.000 AOP H82 H . 0.000 AOP H91 H . 0.000 AOP H92 H . 0.000 AOP 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 AOP O1 C1 double AOP C1 C2 single AOP C1 H1 single AOP C2 N3 single AOP C2 H21 single AOP C2 H22 single AOP N3 O4 single AOP N3 HN3 single AOP O4 C5 single AOP C5 C6 single AOP C5 H51 single AOP C5 H52 single AOP C6 C7 single AOP C6 H61 single AOP C6 H62 single AOP C7 C8 single AOP C7 H71 single AOP C7 H72 single AOP C8 C9 single AOP C8 H81 single AOP C8 H82 single AOP C9 H91 single AOP C9 H92 single AOP C9 H93 single