# 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 GUM GUM '4-METHYL-UMBELLIFERYL-N-ACETYL-CHITO' non-polymer 75 41 M # data_comp_GUM # 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 GUM O1 O . 0.000 GUM C2 C . 0.000 GUM O2 O . 0.000 GUM C3 C . 0.000 GUM C4 C . 0.000 GUM C5 C . 0.000 GUM C6 C . 0.000 GUM C7 C . 0.000 GUM C8 C . 0.000 GUM C1 C . 0.000 GUM C9 C . 0.000 GUM C10 C . 0.000 GUM O3 O . 0.000 GUM C11 C . 0.000 GUM C12 C . 0.000 GUM C13 C . 0.000 GUM C14 C . 0.000 GUM C15 C . 0.000 GUM O4 O . 0.000 GUM N1 N . 0.000 GUM C16 C . 0.000 GUM O5 O . 0.000 GUM C17 C . 0.000 GUM O6 O . 0.000 GUM C18 C . 0.000 GUM O7 O . 0.000 GUM O8 O . 0.000 GUM C19 C . 0.000 GUM C20 C . 0.000 GUM C21 C . 0.000 GUM C22 C . 0.000 GUM C23 C . 0.000 GUM O9 O . 0.000 GUM N2 N . 0.000 GUM O10 O . 0.000 GUM C24 C . 0.000 GUM O11 O . 0.000 GUM C25 C . 0.000 GUM O12 O . 0.000 GUM C26 C . 0.000 GUM O13 O . 0.000 GUM H2 H . 0.000 GUM H3 H . 0.000 GUM H5 H . 0.000 GUM H7 H . 0.000 GUM H101 H . 0.000 GUM H102 H . 0.000 GUM H103 H . 0.000 GUM H11 H . 0.000 GUM H12 H . 0.000 GUM H13 H . 0.000 GUM H14 H . 0.000 GUM H15 H . 0.000 GUM HN1 H . 0.000 GUM H161 H . 0.000 GUM H162 H . 0.000 GUM HO5 H . 0.000 GUM H181 H . 0.000 GUM H182 H . 0.000 GUM H183 H . 0.000 GUM HO8 H . 0.000 GUM H19 H . 0.000 GUM H20 H . 0.000 GUM H21 H . 0.000 GUM H22 H . 0.000 GUM H23 H . 0.000 GUM HN2 H . 0.000 GUM HOA H . 0.000 GUM H241 H . 0.000 GUM H242 H . 0.000 GUM HOB H . 0.000 GUM H261 H . 0.000 GUM H262 H . 0.000 GUM H263 H . 0.000 GUM HOD 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 GUM O1 C6 single GUM O1 C9 single GUM C2 C3 double GUM C2 C1 single GUM C2 H2 single GUM O2 C9 double GUM C3 C4 single GUM C3 H3 single GUM C4 C5 double GUM C4 O3 single GUM C5 C6 single GUM C5 H5 single GUM C6 C1 double GUM C7 C8 double GUM C7 C9 single GUM C7 H7 single GUM C8 C1 single GUM C8 C10 single GUM C10 H101 single GUM C10 H102 single GUM C10 H103 single GUM O3 C11 single GUM C11 C12 single GUM C11 O4 single GUM C11 H11 single GUM C12 C13 single GUM C12 N1 single GUM C12 H12 single GUM C13 C14 single GUM C13 O8 single GUM C13 H13 single GUM C14 C15 single GUM C14 O7 single GUM C14 H14 single GUM C15 O4 single GUM C15 C16 single GUM C15 H15 single GUM N1 C17 single GUM N1 HN1 single GUM C16 O5 single GUM C16 H161 single GUM C16 H162 single GUM O5 HO5 single GUM C17 O6 double GUM C17 C18 single GUM C18 H181 single GUM C18 H182 single GUM C18 H183 single GUM O7 C19 single GUM O8 HO8 single GUM C19 C20 single GUM C19 O9 single GUM C19 H19 single GUM C20 C21 single GUM C20 N2 single GUM C20 H20 single GUM C21 C22 single GUM C21 O13 single GUM C21 H21 single GUM C22 C23 single GUM C22 O10 single GUM C22 H22 single GUM C23 O9 single GUM C23 C24 single GUM C23 H23 single GUM N2 C25 single GUM N2 HN2 single GUM O10 HOA single GUM C24 O11 single GUM C24 H241 single GUM C24 H242 single GUM O11 HOB single GUM C25 O12 double GUM C25 C26 single GUM C26 H261 single GUM C26 H262 single GUM C26 H263 single GUM O13 HOD single