# 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 PXG PXG '3-[O-PHOSPHONOPYRIDOXYL]--AMINO-BENZ' non-polymer 42 25 M # data_comp_PXG # 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 PXG N1 N . 0.000 PXG C2 C . 0.000 PXG C2A C . 0.000 PXG C3 C . 0.000 PXG O3 O . 0.000 PXG C5 C . 0.000 PXG C6 C . 0.000 PXG C5A C . 0.000 PXG OP4 O . 0.000 PXG P P . 0.000 PXG OP1 O . 0.000 PXG OP2 O . 0.000 PXG OP3 O . 0.000 PXG C4 C . 0.000 PXG C4A C . 0.000 PXG C7 C . 0.000 PXG C8 C . 0.000 PXG O2 O . 0.000 PXG C9 C . 0.000 PXG C10 C . 0.000 PXG C11 C . 0.000 PXG C12 C . 0.000 PXG C13 C . 0.000 PXG O8 O . 0.000 PXG N9 N . 0.000 PXG H2A1 H . 0.000 PXG H2A2 H . 0.000 PXG H2A3 H . 0.000 PXG HO3 H . 0.000 PXG H6 H . 0.000 PXG H5A1 H . 0.000 PXG H5A2 H . 0.000 PXG HOP1 H . 0.000 PXG HOP2 H . 0.000 PXG H4A1 H . 0.000 PXG H4A2 H . 0.000 PXG HO2 H . 0.000 PXG H9 H . 0.000 PXG H11 H . 0.000 PXG H12 H . 0.000 PXG H13 H . 0.000 PXG HN9 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 PXG N1 C2 AROM PXG N1 C6 AROM PXG C2 C2A single PXG C2 C3 AROM PXG C2A H2A1 single PXG C2A H2A2 single PXG C2A H2A3 single PXG C3 O3 single PXG C3 C4 AROM PXG O3 HO3 single PXG C5 C6 AROM PXG C5 C5A single PXG C5 C4 AROM PXG C6 H6 single PXG C5A OP4 single PXG C5A H5A1 single PXG C5A H5A2 single PXG OP4 P single PXG P OP1 single PXG P OP2 single PXG P OP3 double PXG OP1 HOP1 single PXG OP2 HOP2 single PXG C4 C4A single PXG C4A N9 single PXG C4A H4A1 single PXG C4A H4A2 single PXG C7 C8 single PXG C7 O2 single PXG C7 O8 double PXG C8 C9 AROM PXG C8 C13 AROM PXG O2 HO2 single PXG C9 C10 AROM PXG C9 H9 single PXG C10 C11 AROM PXG C10 N9 single PXG C11 C12 AROM PXG C11 H11 single PXG C12 C13 AROM PXG C12 H12 single PXG C13 H13 single PXG N9 HN9 single