# 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 PXF PXF '2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL-' non-polymer 34 23 M # data_comp_PXF # 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 PXF C1 C . 0.000 PXF C C . 0.000 PXF O O . 0.000 PXF C2 C . 0.000 PXF N2 N . 0.000 PXF C3 C . 0.000 PXF O3 O . 0.000 PXF C4 C . 0.000 PXF O5 O . 0.000 PXF C6 C . 0.000 PXF C7 C . 0.000 PXF C8 C . 0.000 PXF F8 F . 0.000 PXF C9 C . 0.000 PXF C* C . 0.000 PXF O* O . 0.000 PXF N10 N . 0.000 PXF C11 C . 0.000 PXF C12 C . 0.000 PXF C13 C . 0.000 PXF C14 C . 0.000 PXF C15 C . 0.000 PXF C16 C . 0.000 PXF H H . 0.000 PXF HN21 H . 0.000 PXF HN22 H . 0.000 PXF H7 H . 0.000 PXF H* H . 0.000 PXF H151 H . 0.000 PXF H152 H . 0.000 PXF H153 H . 0.000 PXF H161 H . 0.000 PXF H162 H . 0.000 PXF H163 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 PXF C1 C2 double PXF C1 C single PXF C1 C11 single PXF C O double PXF C H single PXF C2 C3 single PXF C2 N2 single PXF N2 HN21 single PXF N2 HN22 single PXF C3 C4 single PXF C3 O3 double PXF C4 C12 double PXF C4 C15 single PXF O5 C12 single PXF O5 C13 single PXF C6 C7 double PXF C6 C13 single PXF C6 C16 single PXF C7 C8 single PXF C7 H7 single PXF C8 C9 double PXF C8 F8 single PXF C9 C14 single PXF C9 C* single PXF C* O* double PXF C* H* single PXF N10 C11 double PXF N10 C14 single PXF C11 C12 single PXF C13 C14 double PXF C15 H151 single PXF C15 H152 single PXF C15 H153 single PXF C16 H161 single PXF C16 H162 single PXF C16 H163 single