# 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 NHS NHS '10-FORMYL-5,8,10-TRIDEAZAFOLIC ACID ' non-polymer 57 35 M # data_comp_NHS # 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 NHS N1 N . 0.000 NHS C2 C . 0.000 NHS NA2 N . 0.000 NHS N3 N . 0.000 NHS C4 C . 0.000 NHS O4 O . 0.000 NHS C4A C . 0.000 NHS C5 C . 0.000 NHS C6 C . 0.000 NHS C7 C . 0.000 NHS C8 C . 0.000 NHS C8A C . 0.000 NHS C9 C . 0.000 NHS C10 C . 0.000 NHS C11 C . 0.000 NHS C12 C . 0.000 NHS C13 C . 0.000 NHS C14 C . 0.000 NHS C15 C . 0.000 NHS C16 C . 0.000 NHS C C . 0.000 NHS O O . 0.000 NHS N N . 0.000 NHS CA C . 0.000 NHS CB C . 0.000 NHS CG C . 0.000 NHS CD C . 0.000 NHS OE1 O . 0.000 NHS OE2 O . 0.000 NHS CT C . 0.000 NHS O1 O . 0.000 NHS O2 O . 0.000 NHS CA1 C . 0.000 NHS OA1 O . 0.000 NHS OA2 O . 0.000 NHS HN21 H . 0.000 NHS HN22 H . 0.000 NHS HN3 H . 0.000 NHS H5 H . 0.000 NHS H7 H . 0.000 NHS H8 H . 0.000 NHS H91 H . 0.000 NHS H92 H . 0.000 NHS H10 H . 0.000 NHS H12 H . 0.000 NHS H13 H . 0.000 NHS H15 H . 0.000 NHS H16 H . 0.000 NHS HN H . 0.000 NHS HA H . 0.000 NHS HB1 H . 0.000 NHS HB2 H . 0.000 NHS HG1 H . 0.000 NHS HG2 H . 0.000 NHS HOE2 H . 0.000 NHS HO2 H . 0.000 NHS 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 NHS N1 C2 double NHS N1 C8A single NHS C2 NA2 single NHS C2 N3 single NHS NA2 HN21 single NHS NA2 HN22 single NHS N3 C4 single NHS N3 HN3 single NHS C4 O4 double NHS C4 C4A single NHS C4A C5 double NHS C4A C8A single NHS C5 C6 single NHS C5 H5 single NHS C6 C7 double NHS C6 C9 single NHS C7 C8 single NHS C7 H7 single NHS C8 C8A double NHS C8 H8 single NHS C9 C10 single NHS C9 H91 single NHS C9 H92 single NHS C10 C14 single NHS C10 CA1 single NHS C10 H10 single NHS C11 C12 double NHS C11 C16 single NHS C11 C single NHS C12 C13 single NHS C12 H12 single NHS C13 C14 double NHS C13 H13 single NHS C14 C15 single NHS C15 C16 double NHS C15 H15 single NHS C16 H16 single NHS C O double NHS C N single NHS N CA single NHS N HN single NHS CA CB single NHS CA CT single NHS CA HA single NHS CB CG single NHS CB HB1 single NHS CB HB2 single NHS CG CD single NHS CG HG1 single NHS CG HG2 single NHS CD OE1 double NHS CD OE2 single NHS OE2 HOE2 single NHS CT O1 double NHS CT O2 single NHS O2 HO2 single NHS CA1 OA1 single NHS CA1 OA2 double NHS OA1 HXT single