# 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 1C5 1C5 '[[O-PHOSPHONO-N-ACETYL-TYROSINYL]-GL' non-polymer 80 41 M # data_comp_1C5 # 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 1C5 C1 C . 0.000 1C5 C2 C . 0.000 1C5 C3 C . 0.000 1C5 C4 C . 0.000 1C5 C5 C . 0.000 1C5 C6 C . 0.000 1C5 C7 C . 0.000 1C5 C8 C . 0.000 1C5 C9 C . 0.000 1C5 C10 C . 0.000 1C5 C11 C . 0.000 1C5 C12 C . 0.000 1C5 C13 C . 0.000 1C5 C14 C . 0.000 1C5 C15 C . 0.000 1C5 C16 C . 0.000 1C5 C17 C . 0.000 1C5 C18 C . 0.000 1C5 C19 C . 0.000 1C5 C20 C . 0.000 1C5 C21 C . 0.000 1C5 C22 C . 0.000 1C5 C23 C . 0.000 1C5 C24 C . 0.000 1C5 C25 C . 0.000 1C5 C26 C . 0.000 1C5 N1 N . 0.000 1C5 N2 N . 0.000 1C5 N3 N . 0.000 1C5 N4 N . 0.000 1C5 O1 O . 0.000 1C5 O2 O . 0.000 1C5 O3 O . 0.000 1C5 O4 O . 0.000 1C5 O5 O . 0.000 1C5 O6 O . 0.000 1C5 O4P O . 0.000 1C5 O1P O . 0.000 1C5 O2P O . 0.000 1C5 O3P O . 0.000 1C5 P P . 0.000 1C5 H11 H . 0.000 1C5 H12 H . 0.000 1C5 H21 H . 0.000 1C5 H22 H . 0.000 1C5 H31 H . 0.000 1C5 H32 H . 0.000 1C5 H4 H . 0.000 1C5 H51 H . 0.000 1C5 H52 H . 0.000 1C5 H61 H . 0.000 1C5 H62 H . 0.000 1C5 H71 H . 0.000 1C5 H72 H . 0.000 1C5 H81 H . 0.000 1C5 H82 H . 0.000 1C5 H9 H . 0.000 1C5 H_12 H . 0.000 1C5 H131 H . 0.000 1C5 H132 H . 0.000 1C5 H141 H . 0.000 1C5 H142 H . 0.000 1C5 H17 H . 0.000 1C5 H181 H . 0.000 1C5 H182 H . 0.000 1C5 H20 H . 0.000 1C5 H_21 H . 0.000 1C5 H23 H . 0.000 1C5 H24 H . 0.000 1C5 H261 H . 0.000 1C5 H262 H . 0.000 1C5 H263 H . 0.000 1C5 HN11 H . 0.000 1C5 HN12 H . 0.000 1C5 HN2 H . 0.000 1C5 HN3 H . 0.000 1C5 HN4 H . 0.000 1C5 HO4 H . 0.000 1C5 HOP2 H . 0.000 1C5 HOP3 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 1C5 C1 C2 single 1C5 C1 C6 single 1C5 C1 H11 single 1C5 C1 H12 single 1C5 C2 C3 single 1C5 C2 H21 single 1C5 C2 H22 single 1C5 C3 C4 single 1C5 C3 H31 single 1C5 C3 H32 single 1C5 C4 C5 single 1C5 C4 C7 single 1C5 C4 H4 single 1C5 C5 C6 single 1C5 C5 H51 single 1C5 C5 H52 single 1C5 C6 H61 single 1C5 C6 H62 single 1C5 C7 C8 single 1C5 C7 H71 single 1C5 C7 H72 single 1C5 C8 C9 single 1C5 C8 H81 single 1C5 C8 H82 single 1C5 C9 C10 single 1C5 C9 N2 single 1C5 C9 H9 single 1C5 C10 N1 single 1C5 C10 O1 double 1C5 C11 C12 single 1C5 C11 N2 single 1C5 C11 O2 double 1C5 C12 C13 single 1C5 C12 N3 single 1C5 C12 H_12 single 1C5 C13 C14 single 1C5 C13 H131 single 1C5 C13 H132 single 1C5 C14 C15 single 1C5 C14 H141 single 1C5 C14 H142 single 1C5 C15 O3 double 1C5 C15 O4 single 1C5 C16 C17 single 1C5 C16 N3 single 1C5 C16 O5 double 1C5 C17 C18 single 1C5 C17 N4 single 1C5 C17 H17 single 1C5 C18 C19 single 1C5 C18 H181 single 1C5 C18 H182 single 1C5 C19 C20 double 1C5 C19 C24 single 1C5 C20 C21 single 1C5 C20 H20 single 1C5 C21 C22 double 1C5 C21 H_21 single 1C5 C22 C23 single 1C5 C22 O4P single 1C5 C23 C24 double 1C5 C23 H23 single 1C5 C24 H24 single 1C5 C25 C26 single 1C5 C25 N4 single 1C5 C25 O6 double 1C5 C26 H261 single 1C5 C26 H262 single 1C5 C26 H263 single 1C5 N1 HN11 single 1C5 N1 HN12 single 1C5 N2 HN2 single 1C5 N3 HN3 single 1C5 N4 HN4 single 1C5 O4 HO4 single 1C5 O4P P single 1C5 O1P P double 1C5 O2P P single 1C5 O2P HOP2 single 1C5 O3P P single 1C5 O3P HOP3 single