# 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 AGN AGN 'PHOSPHOAMINOPHOSPHONIC ACID 3"-O-(N-' non-polymer 65 41 M # data_comp_AGN # 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 AGN PG P . 0.000 AGN O1G O . 0.000 AGN O2G O . 0.000 AGN O3G O . 0.000 AGN N3B N . 0.000 AGN PB P . 0.000 AGN O1B O . 0.000 AGN O2B O . 0.000 AGN O3A O . 0.000 AGN PA P . 0.000 AGN O1A O . 0.000 AGN O2A O . 0.000 AGN O5* O . 0.000 AGN C5* C . 0.000 AGN C4* C . 0.000 AGN O4* O . 0.000 AGN C3* C . 0.000 AGN O3* O . 0.000 AGN C2* C . 0.000 AGN C1* C . 0.000 AGN 'C'' C . 0.000 AGN 'O1'' O . 0.000 AGN 'C1'' C . 0.000 AGN 'C2'' C . 0.000 AGN 'N2'' N . 0.000 AGN 'CM'' C . 0.000 AGN 'C3'' C . 0.000 AGN 'C4'' C . 0.000 AGN 'C5'' C . 0.000 AGN 'C6'' C . 0.000 AGN N9 N . 0.000 AGN C8 C . 0.000 AGN N7 N . 0.000 AGN C5 C . 0.000 AGN C6 C . 0.000 AGN O6 O . 0.000 AGN N1 N . 0.000 AGN C2 C . 0.000 AGN N2 N . 0.000 AGN N3 N . 0.000 AGN C4 C . 0.000 AGN HN21 H . 0.000 AGN HN22 H . 0.000 AGN HN1 H . 0.000 AGN H8 H . 0.000 AGN H1* H . 0.000 AGN H2*1 H . 0.000 AGN H2*2 H . 0.000 AGN H3* H . 0.000 AGN H4* H . 0.000 AGN H5*2 H . 0.000 AGN H5*1 H . 0.000 AGN 'HN2'' H . 0.000 AGN 'HM'1' H . 0.000 AGN 'HM'2' H . 0.000 AGN 'HM'3' H . 0.000 AGN 'H3'' H . 0.000 AGN 'H4'' H . 0.000 AGN 'H5'' H . 0.000 AGN 'H6'' H . 0.000 AGN HOA2 H . 0.000 AGN HOB2 H . 0.000 AGN HNB3 H . 0.000 AGN HOG2 H . 0.000 AGN HOG3 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 AGN PG O1G double AGN PG O2G single AGN PG O3G single AGN PG N3B single AGN O2G HOG2 single AGN O3G HOG3 single AGN N3B PB single AGN N3B HNB3 single AGN PB O1B double AGN PB O2B single AGN PB O3A single AGN O2B HOB2 single AGN O3A PA single AGN PA O1A double AGN PA O2A single AGN PA O5* single AGN O2A HOA2 single AGN O5* C5* single AGN C5* C4* single AGN C5* H5*1 single AGN C5* H5*2 single AGN C4* O4* single AGN C4* C3* single AGN C4* H4* single AGN O4* C1* single AGN C3* O3* single AGN C3* C2* single AGN C3* H3* single AGN O3* 'C'' single AGN C2* C1* single AGN C2* H2*1 single AGN C2* H2*2 single AGN C1* N9 single AGN C1* H1* single AGN 'C'' 'O1'' double AGN 'C'' 'C1'' single AGN 'C1'' 'C2'' double AGN 'C1'' 'C6'' single AGN 'C2'' 'C3'' single AGN 'C2'' 'N2'' single AGN 'N2'' 'CM'' single AGN 'N2'' 'HN2'' single AGN 'CM'' 'HM'1' single AGN 'CM'' 'HM'2' single AGN 'CM'' 'HM'3' single AGN 'C3'' 'C4'' double AGN 'C3'' 'H3'' single AGN 'C4'' 'C5'' single AGN 'C4'' 'H4'' single AGN 'C5'' 'C6'' double AGN 'C5'' 'H5'' single AGN 'C6'' 'H6'' single AGN N9 C8 single AGN N9 C4 single AGN C8 N7 double AGN C8 H8 single AGN N7 C5 single AGN C5 C6 single AGN C5 C4 double AGN C6 O6 double AGN C6 N1 single AGN N1 C2 single AGN N1 HN1 single AGN C2 N2 single AGN C2 N3 double AGN N2 HN21 single AGN N2 HN22 single AGN N3 C4 single