# 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 MTE MTE 'ACIDMONO-(2-AMINO-5,6-DIMERCAPTO-4-O' non-polymer 38 24 M # data_comp_MTE # 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 MTE N1 N . 0.000 MTE C2 C . 0.000 MTE N2 N . 0.000 MTE N3 N . 0.000 MTE C4 C . 0.000 MTE O4 O . 0.000 MTE N5 N . 0.000 MTE C6 C . 0.000 MTE C7 C . 0.000 MTE N8 N . 0.000 MTE C9 C . 0.000 MTE C10 C . 0.000 MTE 'C1'' C . 0.000 MTE 'S1'' S . 0.000 MTE 'C2'' C . 0.000 MTE 'S2'' S . 0.000 MTE 'C3'' C . 0.000 MTE 'O3'' O . 0.000 MTE 'C4'' C . 0.000 MTE 'O4'' O . 0.000 MTE P P . 0.000 MTE O1P O . 0.000 MTE O2P O . 0.000 MTE O3P O . 0.000 MTE HN21 H . 0.000 MTE HN22 H . 0.000 MTE HN3 H . 0.000 MTE HN5 H . 0.000 MTE H6 H . 0.000 MTE H7 H . 0.000 MTE HN8 H . 0.000 MTE H1S H . 0.000 MTE H2S H . 0.000 MTE 'H3'' H . 0.000 MTE 'H4'1' H . 0.000 MTE 'H4'2' H . 0.000 MTE HOP2 H . 0.000 MTE 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 MTE N1 C2 double MTE N1 C10 single MTE C2 N2 single MTE C2 N3 single MTE N2 HN21 single MTE N2 HN22 single MTE N3 C4 single MTE N3 HN3 single MTE C4 O4 double MTE C4 C9 single MTE N5 C6 single MTE N5 C9 single MTE N5 HN5 single MTE C6 C7 single MTE C6 'C1'' single MTE C6 H6 single MTE C7 N8 single MTE C7 'O3'' single MTE C7 H7 single MTE N8 C10 single MTE N8 HN8 single MTE C9 C10 double MTE 'C1'' 'C2'' double MTE 'C1'' 'S1'' single MTE 'S1'' H1S single MTE 'C2'' 'C3'' single MTE 'C2'' 'S2'' single MTE 'S2'' H2S single MTE 'C3'' 'C4'' single MTE 'C3'' 'O3'' single MTE 'C3'' 'H3'' single MTE 'C4'' 'O4'' single MTE 'C4'' 'H4'1' single MTE 'C4'' 'H4'2' single MTE 'O4'' P single MTE P O1P double MTE P O2P single MTE P O3P single MTE O2P HOP2 single MTE O3P HOP3 single