# 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 PNT PNT '1,3-BIS(4-AMIDINOPHENOXY)PENTANE ' non-polymer 49 25 M # data_comp_PNT # 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 PNT C1 C . 0.000 PNT C2 C . 0.000 PNT C3 C . 0.000 PNT C4 C . 0.000 PNT C5 C . 0.000 PNT C6 C . 0.000 PNT C7 C . 0.000 PNT C8 C . 0.000 PNT C9 C . 0.000 PNT C10 C . 0.000 PNT 'C1'' C . 0.000 PNT 'C2'' C . 0.000 PNT 'C3'' C . 0.000 PNT 'C4'' C . 0.000 PNT 'C5'' C . 0.000 PNT 'C6'' C . 0.000 PNT 'C7'' C . 0.000 PNT 'C8'' C . 0.000 PNT 'C9'' C . 0.000 PNT O1 O . 0.000 PNT 'O1'' O . 0.000 PNT N1 N . 0.000 PNT N2 N . 0.000 PNT 'N1'' N . 0.000 PNT 'N2'' N . 0.000 PNT H2 H . 0.000 PNT H3 H . 0.000 PNT H5 H . 0.000 PNT H6 H . 0.000 PNT H71 H . 0.000 PNT H72 H . 0.000 PNT H81 H . 0.000 PNT H82 H . 0.000 PNT H101 H . 0.000 PNT H102 H . 0.000 PNT 'H2'' H . 0.000 PNT 'H3'' H . 0.000 PNT 'H5'' H . 0.000 PNT 'H6'' H . 0.000 PNT 'H7'1' H . 0.000 PNT 'H7'2' H . 0.000 PNT 'H8'1' H . 0.000 PNT 'H8'2' H . 0.000 PNT HN1 H . 0.000 PNT HN2 H . 0.000 PNT HN3 H . 0.000 PNT 'HN'1' H . 0.000 PNT 'HN'2' H . 0.000 PNT 'HN'3' 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 PNT C1 C2 double PNT C1 C6 single PNT C1 O1 single PNT C2 C3 single PNT C2 H2 single PNT C3 C4 double PNT C3 H3 single PNT C4 C5 single PNT C4 C9 single PNT C5 C6 double PNT C5 H5 single PNT C6 H6 single PNT C7 C8 single PNT C7 O1 single PNT C7 H71 single PNT C7 H72 single PNT C8 C10 single PNT C8 H81 single PNT C8 H82 single PNT C9 N1 double PNT C9 N2 single PNT C10 'C8'' single PNT C10 H101 single PNT C10 H102 single PNT 'C1'' 'O1'' single PNT 'C1'' 'C2'' double PNT 'C1'' 'C6'' single PNT 'C2'' 'C3'' single PNT 'C2'' 'H2'' single PNT 'C3'' 'C4'' double PNT 'C3'' 'H3'' single PNT 'C4'' 'C5'' single PNT 'C4'' 'C9'' single PNT 'C5'' 'C6'' double PNT 'C5'' 'H5'' single PNT 'C6'' 'H6'' single PNT 'C7'' 'C8'' single PNT 'C7'' 'O1'' single PNT 'C7'' 'H7'1' single PNT 'C7'' 'H7'2' single PNT 'C8'' 'H8'1' single PNT 'C8'' 'H8'2' single PNT 'C9'' 'N1'' double PNT 'C9'' 'N2'' single PNT N1 HN1 single PNT N2 HN2 single PNT N2 HN3 single PNT 'N1'' 'HN'1' single PNT 'N2'' 'HN'2' single PNT 'N2'' 'HN'3' single