# 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 XMP XMP 'XANTHOSINE-5"-MONOPHOSPHATE ' non-polymer 38 24 M # data_comp_XMP # 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 XMP P P . 0.000 XMP O1P O . 0.000 XMP O2P O . 0.000 XMP 'O5'' O . 0.000 XMP O3P O . 0.000 XMP 'C5'' C . 0.000 XMP 'C4'' C . 0.000 XMP 'O4'' O . 0.000 XMP 'C1'' C . 0.000 XMP N9 N . 0.000 XMP C4 C . 0.000 XMP N3 N . 0.000 XMP N1 N . 0.000 XMP C2 C . 0.000 XMP O2 O . 0.000 XMP C6 C . 0.000 XMP O6 O . 0.000 XMP C5 C . 0.000 XMP N7 N . 1.000 XMP C8 C . 0.000 XMP 'C2'' C . 0.000 XMP 'O2'' O . 0.000 XMP 'C3'' C . 0.000 XMP 'O3'' O . 0.000 XMP HOP1 H . 0.000 XMP HOP2 H . 0.000 XMP 'H5'2' H . 0.000 XMP 'H5'1' H . 0.000 XMP 'H4'' H . 0.000 XMP 'H1'' H . 0.000 XMP H3 H . 0.000 XMP H1 H . 0.000 XMP H7 H . 0.000 XMP H8 H . 0.000 XMP 'H2'' H . 0.000 XMP H2O1 H . 0.000 XMP 'H3'' H . 0.000 XMP H3O1 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 XMP P O1P single XMP P O2P single XMP P 'O5'' single XMP P O3P double XMP O1P HOP1 single XMP O2P HOP2 single XMP 'O5'' 'C5'' single XMP 'C5'' 'C4'' single XMP 'C5'' 'H5'2' single XMP 'C5'' 'H5'1' single XMP 'C4'' 'O4'' single XMP 'C4'' 'C3'' single XMP 'C4'' 'H4'' single XMP 'O4'' 'C1'' single XMP 'C1'' N9 single XMP 'C1'' 'C2'' single XMP 'C1'' 'H1'' single XMP N9 C4 single XMP N9 C8 single XMP C4 N3 single XMP C4 C5 double XMP N3 C2 single XMP N3 H3 single XMP N1 C2 single XMP N1 C6 single XMP N1 H1 single XMP C2 O2 double XMP C6 O6 double XMP C6 C5 single XMP C5 N7 single XMP N7 C8 double XMP N7 H7 single XMP C8 H8 single XMP 'C2'' 'O2'' single XMP 'C2'' 'C3'' single XMP 'C2'' 'H2'' single XMP 'O2'' H2O1 single XMP 'C3'' 'O3'' single XMP 'C3'' 'H3'' single XMP 'O3'' H3O1 single