# 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 1AP 1AP '2,6-DIAMINOPURINE NUCLEOTIDE ' non-polymer 38 23 M # data_comp_1AP # 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 1AP N1 N . 0.000 1AP C2 C . 0.000 1AP C4 C . 0.000 1AP C5 C . 0.000 1AP C6 C . 0.000 1AP C8 C . 0.000 1AP N2 N . 0.000 1AP N3 N . 0.000 1AP N9 N . 0.000 1AP N7 N . 0.000 1AP N6 N . 0.000 1AP P P . 0.000 1AP O1P O . 0.000 1AP O2P O . 0.000 1AP 'O5'' O . 0.000 1AP 'C5'' C . 0.000 1AP 'C4'' C . 0.000 1AP 'O4'' O . 0.000 1AP 'C1'' C . 0.000 1AP 'C2'' C . 0.000 1AP 'C3'' C . 0.000 1AP 'O3'' O . 0.000 1AP O3P O . 0.000 1AP H1P H . 0.000 1AP H3P H . 0.000 1AP H52 H . 0.000 1AP H51 H . 0.000 1AP H4 H . 0.000 1AP HO31 H . 0.000 1AP H31 H . 0.000 1AP H21 H . 0.000 1AP H22 H . 0.000 1AP H11 H . 0.000 1AP H81 H . 0.000 1AP HN61 H . 0.000 1AP HN62 H . 0.000 1AP HN21 H . 0.000 1AP HN22 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 1AP N1 C2 single 1AP N1 C6 double 1AP C2 N2 single 1AP C2 N3 double 1AP C4 C5 double 1AP C4 N3 single 1AP C4 N9 single 1AP C5 C6 single 1AP C5 N7 single 1AP C6 N6 single 1AP C8 N9 single 1AP C8 N7 double 1AP C8 H81 single 1AP N2 HN21 single 1AP N2 HN22 single 1AP N9 'C1'' single 1AP N6 HN61 single 1AP N6 HN62 single 1AP P O1P single 1AP P O2P double 1AP P 'O5'' single 1AP P O3P single 1AP O1P H1P single 1AP 'O5'' 'C5'' single 1AP 'C5'' 'C4'' single 1AP 'C5'' H51 single 1AP 'C5'' H52 single 1AP 'C4'' 'O4'' single 1AP 'C4'' 'C3'' single 1AP 'C4'' H4 single 1AP 'O4'' 'C1'' single 1AP 'C1'' 'C2'' single 1AP 'C1'' H11 single 1AP 'C2'' 'C3'' single 1AP 'C2'' H21 single 1AP 'C2'' H22 single 1AP 'C3'' 'O3'' single 1AP 'C3'' H31 single 1AP 'O3'' HO31 single 1AP O3P H3P single