# 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 AS1 AS1 'NAG(A)-NAG(B)-GLC(C)-GLC(D)-GLC(G) ' non-polymer 119 61 M # data_comp_AS1 # 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 AS1 C1A C . 0.000 AS1 C2A C . 0.000 AS1 C3A C . 0.000 AS1 C4A C . 0.000 AS1 C5A C . 0.000 AS1 C6A C . 0.000 AS1 C7A C . 0.000 AS1 C8A C . 0.000 AS1 N2A N . 0.000 AS1 O3A O . 0.000 AS1 O4A O . 0.000 AS1 O5A O . 0.000 AS1 O6A O . 0.000 AS1 O7A O . 0.000 AS1 C1B C . 0.000 AS1 C2B C . 0.000 AS1 C3B C . 0.000 AS1 C4B C . 0.000 AS1 C5B C . 0.000 AS1 C6B C . 0.000 AS1 C7B C . 0.000 AS1 C8B C . 0.000 AS1 N2B N . 0.000 AS1 O3B O . 0.000 AS1 O4B O . 0.000 AS1 O5B O . 0.000 AS1 O6B O . 0.000 AS1 O7B O . 0.000 AS1 C1C C . 0.000 AS1 C2C C . 0.000 AS1 C3C C . 0.000 AS1 C4C C . 0.000 AS1 C5C C . 0.000 AS1 C6C C . 0.000 AS1 O2C O . 0.000 AS1 O3C O . 0.000 AS1 O4C O . 0.000 AS1 O5C O . 0.000 AS1 O6C O . 0.000 AS1 C1D C . 0.000 AS1 C2D C . 0.000 AS1 C3D C . 0.000 AS1 C4D C . 0.000 AS1 C5D C . 0.000 AS1 C6D C . 0.000 AS1 O2D O . 0.000 AS1 O3D O . 0.000 AS1 O4D O . 0.000 AS1 O5D O . 0.000 AS1 O6D O . 0.000 AS1 C1G C . 0.000 AS1 C2G C . 0.000 AS1 C3G C . 0.000 AS1 C4G C . 0.000 AS1 C5G C . 0.000 AS1 C6G C . 0.000 AS1 O2G O . 0.000 AS1 O3G O . 0.000 AS1 O4G O . 0.000 AS1 O5G O . 0.000 AS1 O6G O . 0.000 AS1 H1A1 H . 0.000 AS1 H1A2 H . 0.000 AS1 H2A H . 0.000 AS1 H3A H . 0.000 AS1 H4A H . 0.000 AS1 H5A H . 0.000 AS1 H6A1 H . 0.000 AS1 H6A2 H . 0.000 AS1 H8A1 H . 0.000 AS1 H8A2 H . 0.000 AS1 H8A3 H . 0.000 AS1 HNA2 H . 0.000 AS1 HOA3 H . 0.000 AS1 HOA6 H . 0.000 AS1 H1B H . 0.000 AS1 H2B H . 0.000 AS1 H3B H . 0.000 AS1 H4B H . 0.000 AS1 H5B H . 0.000 AS1 H6B1 H . 0.000 AS1 H6B2 H . 0.000 AS1 H8B1 H . 0.000 AS1 H8B2 H . 0.000 AS1 H8B3 H . 0.000 AS1 HNB2 H . 0.000 AS1 HOB3 H . 0.000 AS1 HOB6 H . 0.000 AS1 H1C H . 0.000 AS1 H2C H . 0.000 AS1 H3C H . 0.000 AS1 H4C H . 0.000 AS1 H5C H . 0.000 AS1 H6C1 H . 0.000 AS1 H6C2 H . 0.000 AS1 HOC2 H . 0.000 AS1 HOC4 H . 0.000 AS1 HOC6 H . 0.000 AS1 H1D H . 0.000 AS1 H2D H . 0.000 AS1 H3D H . 0.000 AS1 H4D H . 0.000 AS1 H5D H . 0.000 AS1 H6D1 H . 0.000 AS1 H6D2 H . 0.000 AS1 HOD3 H . 0.000 AS1 HOD4 H . 0.000 AS1 HOD6 H . 0.000 AS1 H1G H . 0.000 AS1 H2G H . 0.000 AS1 H3G H . 0.000 AS1 H4G H . 0.000 AS1 H5G H . 0.000 AS1 H6G1 H . 0.000 AS1 H6G2 H . 0.000 AS1 HOG2 H . 0.000 AS1 HOG3 H . 0.000 AS1 HOG4 H . 0.000 AS1 HOG6 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 AS1 C1A C2A single AS1 C1A O5A single AS1 C1A H1A1 single AS1 C1A H1A2 single AS1 C2A C3A single AS1 C2A N2A single AS1 C2A H2A single AS1 C3A C4A single AS1 C3A O3A single AS1 C3A H3A single AS1 C4A C5A single AS1 C4A O4A single AS1 C4A H4A single AS1 C5A C6A single AS1 C5A O5A single AS1 C5A H5A single AS1 C6A O6A single AS1 C6A H6A1 single AS1 C6A H6A2 single AS1 C7A C8A single AS1 C7A N2A single AS1 C7A O7A double AS1 C8A H8A1 single AS1 C8A H8A2 single AS1 C8A H8A3 single AS1 N2A HNA2 single AS1 O3A HOA3 single AS1 O4A C1B single AS1 O6A HOA6 single AS1 C1B C2B single AS1 C1B O5B single AS1 C1B H1B single AS1 C2B C3B single AS1 C2B N2B single AS1 C2B H2B single AS1 C3B C4B single AS1 C3B O3B single AS1 C3B H3B single AS1 C4B C5B single AS1 C4B O4B single AS1 C4B H4B single AS1 C5B C6B single AS1 C5B O5B single AS1 C5B H5B single AS1 C6B O6B single AS1 C6B H6B1 single AS1 C6B H6B2 single AS1 C7B C8B single AS1 C7B N2B single AS1 C7B O7B double AS1 C8B H8B1 single AS1 C8B H8B2 single AS1 C8B H8B3 single AS1 N2B HNB2 single AS1 O3B HOB3 single AS1 O4B C1C single AS1 O6B HOB6 single AS1 C1C C2C single AS1 C1C O5C single AS1 C1C H1C single AS1 C2C C3C single AS1 C2C O2C single AS1 C2C H2C single AS1 C3C C4C single AS1 C3C O3C single AS1 C3C H3C single AS1 C4C C5C single AS1 C4C O4C single AS1 C4C H4C single AS1 C5C C6C single AS1 C5C O5C single AS1 C5C H5C single AS1 C6C O6C single AS1 C6C H6C1 single AS1 C6C H6C2 single AS1 O2C HOC2 single AS1 O3C C1D single AS1 O4C HOC4 single AS1 O6C HOC6 single AS1 C1D C2D single AS1 C1D O5D single AS1 C1D H1D single AS1 C2D C3D single AS1 C2D O2D single AS1 C2D H2D single AS1 C3D C4D single AS1 C3D O3D single AS1 C3D H3D single AS1 C4D C5D single AS1 C4D O4D single AS1 C4D H4D single AS1 C5D C6D single AS1 C5D O5D single AS1 C5D H5D single AS1 C6D O6D single AS1 C6D H6D1 single AS1 C6D H6D2 single AS1 O2D C1G single AS1 O3D HOD3 single AS1 O4D HOD4 single AS1 O6D HOD6 single AS1 C1G C2G single AS1 C1G O5G single AS1 C1G H1G single AS1 C2G C3G single AS1 C2G O2G single AS1 C2G H2G single AS1 C3G C4G single AS1 C3G O3G single AS1 C3G H3G single AS1 C4G C5G single AS1 C4G O4G single AS1 C4G H4G single AS1 C5G C6G single AS1 C5G O5G single AS1 C5G H5G single AS1 C6G O6G single AS1 C6G H6G1 single AS1 C6G H6G2 single AS1 O2G HOG2 single AS1 O3G HOG3 single AS1 O4G HOG4 single AS1 O6G HOG6 single