# 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 OTG OTG 'ORTHO-TOLUOYLGLUCOSAMINE ' non-polymer 40 21 M # data_comp_OTG # 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 OTG C1 C . 0.000 OTG O1 O . 0.000 OTG C2 C . 0.000 OTG N2 N . 0.000 OTG C3 C . 0.000 OTG O3 O . 0.000 OTG C4 C . 0.000 OTG O4 O . 0.000 OTG C5 C . 0.000 OTG O5 O . 0.000 OTG C6 C . 0.000 OTG O6 O . 0.000 OTG C1* C . 0.000 OTG C2* C . 0.000 OTG C3* C . 0.000 OTG C4* C . 0.000 OTG C5* C . 0.000 OTG C6* C . 0.000 OTG C7* C . 0.000 OTG C8* C . 0.000 OTG O8* O . 0.000 OTG H1 H . 0.000 OTG HO1 H . 0.000 OTG H2 H . 0.000 OTG HN2 H . 0.000 OTG H3 H . 0.000 OTG HO3 H . 0.000 OTG H4 H . 0.000 OTG HO4 H . 0.000 OTG H5 H . 0.000 OTG H61 H . 0.000 OTG H62 H . 0.000 OTG HO6 H . 0.000 OTG H3* H . 0.000 OTG H4* H . 0.000 OTG H5* H . 0.000 OTG H6* H . 0.000 OTG H7*1 H . 0.000 OTG H7*2 H . 0.000 OTG H7*3 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 OTG C1 O1 single OTG C1 C2 single OTG C1 O5 single OTG C1 H1 single OTG O1 HO1 single OTG C2 N2 single OTG C2 C3 single OTG C2 H2 single OTG N2 C8* single OTG N2 HN2 single OTG C3 O3 single OTG C3 C4 single OTG C3 H3 single OTG O3 HO3 single OTG C4 O4 single OTG C4 C5 single OTG C4 H4 single OTG O4 HO4 single OTG C5 O5 single OTG C5 C6 single OTG C5 H5 single OTG C6 O6 single OTG C6 H61 single OTG C6 H62 single OTG O6 HO6 single OTG C1* C2* double OTG C1* C6* single OTG C1* C7* single OTG C2* C3* single OTG C2* C8* single OTG C3* C4* double OTG C3* H3* single OTG C4* C5* single OTG C4* H4* single OTG C5* C6* double OTG C5* H5* single OTG C6* H6* single OTG C7* H7*1 single OTG C7* H7*2 single OTG C7* H7*3 single OTG C8* O8* double