# 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 NEP NEP 'N1-PHOSPHONOHISTIDINE ' non-polymer 25 15 M # data_comp_NEP # 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 NEP N N . 0.000 NEP CA C . 0.000 NEP C C . 0.000 NEP O O . 0.000 NEP CB C . 0.000 NEP CG C . 0.000 NEP ND1 N . 0.000 NEP CD2 C . 0.000 NEP CE1 C . 0.000 NEP NE2 N . 0.000 NEP P P . 0.000 NEP O1P O . 0.000 NEP O2P O . 0.000 NEP O3P O . 0.000 NEP OXT O . 0.000 NEP H H . 0.000 NEP HN2 H . 0.000 NEP HA H . 0.000 NEP HB1 H . 0.000 NEP HB2 H . 0.000 NEP HD2 H . 0.000 NEP HE1 H . 0.000 NEP HOP1 H . 0.000 NEP HOP2 H . 0.000 NEP HXT 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 NEP N CA single NEP N H single NEP N HN2 single NEP CA C single NEP CA CB single NEP CA HA single NEP C O double NEP C OXT single NEP CB CG single NEP CB HB1 single NEP CB HB2 single NEP CG ND1 single NEP CG CD2 double NEP ND1 CE1 double NEP CD2 NE2 single NEP CD2 HD2 single NEP CE1 NE2 single NEP CE1 HE1 single NEP NE2 P single NEP P O1P single NEP P O2P single NEP P O3P double NEP O1P HOP1 single NEP O2P HOP2 single NEP OXT HXT single