# 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 N1T N1T 'DIPHOSPHAT ' non-polymer 45 26 M # data_comp_N1T # 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 N1T 'C1'' C . 0.000 N1T 'C2'' C . 0.000 N1T CM2 C . 0.000 N1T 'N3'' N . 0.000 N1T 'C4'' C . 0.000 N1T 'N4'' N . 0.000 N1T 'C5'' C . 0.000 N1T 'C6'' C . 0.000 N1T 'C7'' C . 0.000 N1T N3 N . 1.000 N1T C2 C . 0.000 N1T S1 S . 0.000 N1T C5 C . 0.000 N1T C4 C . 0.000 N1T CM4 C . 0.000 N1T C6 C . 0.000 N1T C7 C . 0.000 N1T O7 O . 0.000 N1T PA P . 0.000 N1T O1A O . 0.000 N1T O2A O . 0.000 N1T O3A O . 0.000 N1T PB P . 0.000 N1T O1B O . 0.000 N1T O2B O . -1.000 N1T O3B O . 0.000 N1T HM21 H . 0.000 N1T HM22 H . 0.000 N1T HM23 H . 0.000 N1T 'H1'' H . 0.000 N1T HN41 H . 0.000 N1T HN42 H . 0.000 N1T 'H6'' H . 0.000 N1T 'H7'1' H . 0.000 N1T 'H7'2' H . 0.000 N1T H2 H . 0.000 N1T HM41 H . 0.000 N1T HM42 H . 0.000 N1T HM43 H . 0.000 N1T H61 H . 0.000 N1T H62 H . 0.000 N1T H71 H . 0.000 N1T H72 H . 0.000 N1T HOA2 H . 0.000 N1T HOB3 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 N1T 'C1'' 'C2'' single N1T 'C1'' 'C6'' double N1T 'C1'' 'H1'' single N1T 'C2'' 'N3'' double N1T 'C2'' CM2 single N1T CM2 HM21 single N1T CM2 HM22 single N1T CM2 HM23 single N1T 'N3'' 'C4'' single N1T 'C4'' 'C5'' double N1T 'C4'' 'N4'' single N1T 'N4'' HN41 single N1T 'N4'' HN42 single N1T 'C5'' 'C6'' single N1T 'C5'' 'C7'' single N1T 'C6'' 'H6'' single N1T 'C7'' N3 single N1T 'C7'' 'H7'1' single N1T 'C7'' 'H7'2' single N1T N3 C2 double N1T N3 C4 single N1T C2 S1 single N1T C2 H2 single N1T S1 C5 single N1T C5 C4 double N1T C5 C6 single N1T C4 CM4 single N1T CM4 HM41 single N1T CM4 HM42 single N1T CM4 HM43 single N1T C6 C7 single N1T C6 H61 single N1T C6 H62 single N1T C7 O7 single N1T C7 H71 single N1T C7 H72 single N1T O7 PA single N1T PA O1A double N1T PA O2A single N1T PA O3A single N1T O2A HOA2 single N1T O3A PB single N1T PB O1B double N1T PB O2B single N1T PB O3B single N1T O3B HOB3 single