# 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 UMG UMG 'METHYL-UMBELLIFERTL-N-ACETYL-CHITOTR' non-polymer 102 55 M # data_comp_UMG # 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 UMG O1 O . 0.000 UMG C2 C . 0.000 UMG O2 O . 0.000 UMG C3 C . 0.000 UMG C4 C . 0.000 UMG C5 C . 0.000 UMG C6 C . 0.000 UMG C7 C . 0.000 UMG C8 C . 0.000 UMG C1 C . 0.000 UMG C9 C . 0.000 UMG C10 C . 0.000 UMG O3 O . 0.000 UMG C11 C . 0.000 UMG C12 C . 0.000 UMG C13 C . 0.000 UMG C14 C . 0.000 UMG C15 C . 0.000 UMG O4 O . 0.000 UMG N1 N . 0.000 UMG C16 C . 0.000 UMG O5 O . 0.000 UMG C17 C . 0.000 UMG O6 O . 0.000 UMG C18 C . 0.000 UMG O7 O . 0.000 UMG O8 O . 0.000 UMG C19 C . 0.000 UMG C20 C . 0.000 UMG C21 C . 0.000 UMG C22 C . 0.000 UMG C23 C . 0.000 UMG O9 O . 0.000 UMG N2 N . 0.000 UMG O10 O . 0.000 UMG C24 C . 0.000 UMG O11 O . 0.000 UMG C25 C . 0.000 UMG O12 O . 0.000 UMG C26 C . 0.000 UMG O13 O . 0.000 UMG C27 C . 0.000 UMG C28 C . 0.000 UMG C29 C . 0.000 UMG C30 C . 0.000 UMG C31 C . 0.000 UMG O14 O . 0.000 UMG N3 N . 0.000 UMG O15 O . 0.000 UMG C32 C . 0.000 UMG O16 O . 0.000 UMG O17 O . 0.000 UMG C33 C . 0.000 UMG O18 O . 0.000 UMG C34 C . 0.000 UMG H2 H . 0.000 UMG H3 H . 0.000 UMG H5 H . 0.000 UMG H7 H . 0.000 UMG H101 H . 0.000 UMG H102 H . 0.000 UMG H103 H . 0.000 UMG H11 H . 0.000 UMG H12 H . 0.000 UMG H13 H . 0.000 UMG H14 H . 0.000 UMG H15 H . 0.000 UMG HN1 H . 0.000 UMG H161 H . 0.000 UMG H162 H . 0.000 UMG HO5 H . 0.000 UMG H181 H . 0.000 UMG H182 H . 0.000 UMG H183 H . 0.000 UMG HO8 H . 0.000 UMG H19 H . 0.000 UMG H20 H . 0.000 UMG H21 H . 0.000 UMG H22 H . 0.000 UMG H23 H . 0.000 UMG HN2 H . 0.000 UMG H241 H . 0.000 UMG H242 H . 0.000 UMG HOB H . 0.000 UMG H261 H . 0.000 UMG H262 H . 0.000 UMG H263 H . 0.000 UMG HOD H . 0.000 UMG H27 H . 0.000 UMG H28 H . 0.000 UMG H29 H . 0.000 UMG H30 H . 0.000 UMG H31 H . 0.000 UMG HN3 H . 0.000 UMG HOF H . 0.000 UMG H321 H . 0.000 UMG H322 H . 0.000 UMG HOG H . 0.000 UMG HOH H . 0.000 UMG H341 H . 0.000 UMG H342 H . 0.000 UMG H343 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 UMG O1 C6 single UMG O1 C9 single UMG C2 C3 double UMG C2 C1 single UMG C2 H2 single UMG O2 C9 double UMG C3 C4 single UMG C3 H3 single UMG C4 C5 double UMG C4 O3 single UMG C5 C6 single UMG C5 H5 single UMG C6 C1 double UMG C7 C8 double UMG C7 C9 single UMG C7 H7 single UMG C8 C1 single UMG C8 C10 single UMG C10 H101 single UMG C10 H102 single UMG C10 H103 single UMG O3 C11 single UMG C11 C12 single UMG C11 O4 single UMG C11 H11 single UMG C12 C13 single UMG C12 N1 single UMG C12 H12 single UMG C13 C14 single UMG C13 O8 single UMG C13 H13 single UMG C14 C15 single UMG C14 O7 single UMG C14 H14 single UMG C15 O4 single UMG C15 C16 single UMG C15 H15 single UMG N1 C17 single UMG N1 HN1 single UMG C16 O5 single UMG C16 H161 single UMG C16 H162 single UMG O5 HO5 single UMG C17 O6 double UMG C17 C18 single UMG C18 H181 single UMG C18 H182 single UMG C18 H183 single UMG O7 C19 single UMG O8 HO8 single UMG C19 C20 single UMG C19 O9 single UMG C19 H19 single UMG C20 C21 single UMG C20 N2 single UMG C20 H20 single UMG C21 C22 single UMG C21 O13 single UMG C21 H21 single UMG C22 C23 single UMG C22 O10 single UMG C22 H22 single UMG C23 O9 single UMG C23 C24 single UMG C23 H23 single UMG N2 C25 single UMG N2 HN2 single UMG O10 C27 single UMG C24 O11 single UMG C24 H241 single UMG C24 H242 single UMG O11 HOB single UMG C25 O12 double UMG C25 C26 single UMG C26 H261 single UMG C26 H262 single UMG C26 H263 single UMG O13 HOD single UMG C27 C28 single UMG C27 O14 single UMG C27 H27 single UMG C28 C29 single UMG C28 N3 single UMG C28 H28 single UMG C29 C30 single UMG C29 O17 single UMG C29 H29 single UMG C30 C31 single UMG C30 O15 single UMG C30 H30 single UMG C31 O14 single UMG C31 C32 single UMG C31 H31 single UMG N3 C33 single UMG N3 HN3 single UMG O15 HOF single UMG C32 O16 single UMG C32 H321 single UMG C32 H322 single UMG O16 HOG single UMG O17 HOH single UMG C33 O18 double UMG C33 C34 single UMG C34 H341 single UMG C34 H342 single UMG C34 H343 single