# 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 AS2 AS2 'NAG(A)-NAG(B)-GLC(C)=GLC(D)-GLC(E)-G' non-polymer 182 94 M # data_comp_AS2 # 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 AS2 C1A C . 0.000 AS2 C2A C . 0.000 AS2 C3A C . 0.000 AS2 C4A C . 0.000 AS2 C5A C . 0.000 AS2 C6A C . 0.000 AS2 C7A C . 0.000 AS2 C8A C . 0.000 AS2 N2A N . 0.000 AS2 O3A O . 0.000 AS2 O4A O . 0.000 AS2 O5A O . 0.000 AS2 O6A O . 0.000 AS2 O7A O . 0.000 AS2 C1B C . 0.000 AS2 C2B C . 0.000 AS2 C3B C . 0.000 AS2 C4B C . 0.000 AS2 C5B C . 0.000 AS2 C6B C . 0.000 AS2 C7B C . 0.000 AS2 C8B C . 0.000 AS2 N2B N . 0.000 AS2 O3B O . 0.000 AS2 O4B O . 0.000 AS2 O5B O . 0.000 AS2 O6B O . 0.000 AS2 O7B O . 0.000 AS2 C1C C . 0.000 AS2 C2C C . 0.000 AS2 C3C C . 0.000 AS2 C4C C . 0.000 AS2 C5C C . 0.000 AS2 C6C C . 0.000 AS2 O2C O . 0.000 AS2 O3C O . 0.000 AS2 O4C O . 0.000 AS2 O5C O . 0.000 AS2 O6C O . 0.000 AS2 C1D C . 0.000 AS2 C2D C . 0.000 AS2 C3D C . 0.000 AS2 C4D C . 0.000 AS2 C5D C . 0.000 AS2 C6D C . 0.000 AS2 O2D O . 0.000 AS2 O3D O . 0.000 AS2 O4D O . 0.000 AS2 O5D O . 0.000 AS2 O6D O . 0.000 AS2 C1G C . 0.000 AS2 C2G C . 0.000 AS2 C3G C . 0.000 AS2 C4G C . 0.000 AS2 C5G C . 0.000 AS2 C6G C . 0.000 AS2 O2G O . 0.000 AS2 O3G O . 0.000 AS2 O4G O . 0.000 AS2 O5G O . 0.000 AS2 O6G O . 0.000 AS2 C1E C . 0.000 AS2 C2E C . 0.000 AS2 C3E C . 0.000 AS2 C4E C . 0.000 AS2 C5E C . 0.000 AS2 C6E C . 0.000 AS2 O2E O . 0.000 AS2 O3E O . 0.000 AS2 O4E O . 0.000 AS2 O5E O . 0.000 AS2 O6E O . 0.000 AS2 C1F C . 0.000 AS2 C2F C . 0.000 AS2 C3F C . 0.000 AS2 C4F C . 0.000 AS2 C5F C . 0.000 AS2 C6F C . 0.000 AS2 O2F O . 0.000 AS2 O3F O . 0.000 AS2 O4F O . 0.000 AS2 O5F O . 0.000 AS2 O6F O . 0.000 AS2 C1H C . 0.000 AS2 C2H C . 0.000 AS2 C3H C . 0.000 AS2 C4H C . 0.000 AS2 C5H C . 0.000 AS2 C6H C . 0.000 AS2 O2H O . 0.000 AS2 O3H O . 0.000 AS2 O4H O . 0.000 AS2 O5H O . 0.000 AS2 O6H O . 0.000 AS2 H1A1 H . 0.000 AS2 H1A2 H . 0.000 AS2 H2A H . 0.000 AS2 H3A H . 0.000 AS2 H4A H . 0.000 AS2 H5A H . 0.000 AS2 H6A1 H . 0.000 AS2 H6A2 H . 0.000 AS2 H8A1 H . 0.000 AS2 H8A2 H . 0.000 AS2 H8A3 H . 0.000 AS2 HNA2 H . 0.000 AS2 HOA3 H . 0.000 AS2 HOA6 H . 0.000 AS2 H1B H . 0.000 AS2 H2B H . 0.000 AS2 H3B H . 0.000 AS2 H4B H . 0.000 AS2 H5B H . 0.000 AS2 H6B1 H . 0.000 AS2 H6B2 H . 0.000 AS2 H8B1 H . 0.000 AS2 H8B2 H . 0.000 AS2 H8B3 H . 0.000 AS2 HNB2 H . 0.000 AS2 HOB3 H . 0.000 AS2 HOB6 H . 0.000 AS2 H1C H . 0.000 AS2 H2C H . 0.000 AS2 H3C H . 0.000 AS2 H4C H . 0.000 AS2 H5C H . 0.000 AS2 H6C1 H . 0.000 AS2 H6C2 H . 0.000 AS2 HOC2 H . 0.000 AS2 HOC4 H . 0.000 AS2 H1D H . 0.000 AS2 H2D H . 0.000 AS2 H3D H . 0.000 AS2 H4D H . 0.000 AS2 H5D H . 0.000 AS2 H6D1 H . 0.000 AS2 H6D2 H . 0.000 AS2 HOD3 H . 0.000 AS2 HOD4 H . 0.000 AS2 HOD6 H . 0.000 AS2 H1G H . 0.000 AS2 H2G H . 0.000 AS2 H3G H . 0.000 AS2 H4G H . 0.000 AS2 H5G H . 0.000 AS2 H6G1 H . 0.000 AS2 H6G2 H . 0.000 AS2 HOG3 H . 0.000 AS2 HOG4 H . 0.000 AS2 HOG6 H . 0.000 AS2 H1E H . 0.000 AS2 H2E H . 0.000 AS2 H3E H . 0.000 AS2 H4E H . 0.000 AS2 H5E H . 0.000 AS2 H6E1 H . 0.000 AS2 H6E2 H . 0.000 AS2 HOE2 H . 0.000 AS2 HOE4 H . 0.000 AS2 HOE6 H . 0.000 AS2 H1F H . 0.000 AS2 H2F H . 0.000 AS2 H3F H . 0.000 AS2 H4F H . 0.000 AS2 H5F H . 0.000 AS2 H6F1 H . 0.000 AS2 H6F2 H . 0.000 AS2 HOF2 H . 0.000 AS2 HOF3 H . 0.000 AS2 HOF4 H . 0.000 AS2 HOF6 H . 0.000 AS2 H1H H . 0.000 AS2 H2H H . 0.000 AS2 H3H H . 0.000 AS2 H4H H . 0.000 AS2 H5H H . 0.000 AS2 H6H1 H . 0.000 AS2 H6H2 H . 0.000 AS2 HOH2 H . 0.000 AS2 HOH3 H . 0.000 AS2 HOH4 H . 0.000 AS2 HOH6 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 AS2 C1A C2A single AS2 C1A O5A single AS2 C1A H1A1 single AS2 C1A H1A2 single AS2 C2A C3A single AS2 C2A N2A single AS2 C2A H2A single AS2 C3A C4A single AS2 C3A O3A single AS2 C3A H3A single AS2 C4A C5A single AS2 C4A O4A single AS2 C4A H4A single AS2 C5A C6A single AS2 C5A O5A single AS2 C5A H5A single AS2 C6A O6A single AS2 C6A H6A1 single AS2 C6A H6A2 single AS2 C7A C8A single AS2 C7A N2A single AS2 C7A O7A double AS2 C8A H8A1 single AS2 C8A H8A2 single AS2 C8A H8A3 single AS2 N2A HNA2 single AS2 O3A HOA3 single AS2 O4A C1B single AS2 O6A HOA6 single AS2 C1B C2B single AS2 C1B O5B single AS2 C1B H1B single AS2 C2B C3B single AS2 C2B N2B single AS2 C2B H2B single AS2 C3B C4B single AS2 C3B O3B single AS2 C3B H3B single AS2 C4B C5B single AS2 C4B O4B single AS2 C4B H4B single AS2 C5B C6B single AS2 C5B O5B single AS2 C5B H5B single AS2 C6B O6B single AS2 C6B H6B1 single AS2 C6B H6B2 single AS2 C7B C8B single AS2 C7B N2B single AS2 C7B O7B double AS2 C8B H8B1 single AS2 C8B H8B2 single AS2 C8B H8B3 single AS2 N2B HNB2 single AS2 O3B HOB3 single AS2 O4B C1C single AS2 O6B HOB6 single AS2 C1C C2C single AS2 C1C O5C single AS2 C1C H1C single AS2 C2C C3C single AS2 C2C O2C single AS2 C2C H2C single AS2 C3C C4C single AS2 C3C O3C single AS2 C3C H3C single AS2 C4C C5C single AS2 C4C O4C single AS2 C4C H4C single AS2 C5C C6C single AS2 C5C O5C single AS2 C5C H5C single AS2 C6C O6C single AS2 C6C H6C1 single AS2 C6C H6C2 single AS2 O2C HOC2 single AS2 O3C C1D single AS2 O4C HOC4 single AS2 O6C C1E single AS2 C1D C2D single AS2 C1D O5D single AS2 C1D H1D single AS2 C2D C3D single AS2 C2D O2D single AS2 C2D H2D single AS2 C3D C4D single AS2 C3D O3D single AS2 C3D H3D single AS2 C4D C5D single AS2 C4D O4D single AS2 C4D H4D single AS2 C5D C6D single AS2 C5D O5D single AS2 C5D H5D single AS2 C6D O6D single AS2 C6D H6D1 single AS2 C6D H6D2 single AS2 O2D C1G single AS2 O3D HOD3 single AS2 O4D HOD4 single AS2 O6D HOD6 single AS2 C1G C2G single AS2 C1G O5G single AS2 C1G H1G single AS2 C2G C3G single AS2 C2G O2G single AS2 C2G H2G single AS2 C3G C4G single AS2 C3G O3G single AS2 C3G H3G single AS2 C4G C5G single AS2 C4G O4G single AS2 C4G H4G single AS2 C5G C6G single AS2 C5G O5G single AS2 C5G H5G single AS2 C6G O6G single AS2 C6G H6G1 single AS2 C6G H6G2 single AS2 O2G C1H single AS2 O3G HOG3 single AS2 O4G HOG4 single AS2 O6G HOG6 single AS2 C1E C2E single AS2 C1E O5E single AS2 C1E H1E single AS2 C2E C3E single AS2 C2E O2E single AS2 C2E H2E single AS2 C3E C4E single AS2 C3E O3E single AS2 C3E H3E single AS2 C4E C5E single AS2 C4E O4E single AS2 C4E H4E single AS2 C5E C6E single AS2 C5E O5E single AS2 C5E H5E single AS2 C6E O6E single AS2 C6E H6E1 single AS2 C6E H6E2 single AS2 O2E HOE2 single AS2 O3E C1F single AS2 O4E HOE4 single AS2 O6E HOE6 single AS2 C1F C2F single AS2 C1F O5F single AS2 C1F H1F single AS2 C2F C3F single AS2 C2F O2F single AS2 C2F H2F single AS2 C3F C4F single AS2 C3F O3F single AS2 C3F H3F single AS2 C4F C5F single AS2 C4F O4F single AS2 C4F H4F single AS2 C5F C6F single AS2 C5F O5F single AS2 C5F H5F single AS2 C6F O6F single AS2 C6F H6F1 single AS2 C6F H6F2 single AS2 O2F HOF2 single AS2 O3F HOF3 single AS2 O4F HOF4 single AS2 O6F HOF6 single AS2 C1H C2H single AS2 C1H O5H single AS2 C1H H1H single AS2 C2H C3H single AS2 C2H O2H single AS2 C2H H2H single AS2 C3H C4H single AS2 C3H O3H single AS2 C3H H3H single AS2 C4H C5H single AS2 C4H O4H single AS2 C4H H4H single AS2 C5H C6H single AS2 C5H O5H single AS2 C5H H5H single AS2 C6H O6H single AS2 C6H H6H1 single AS2 C6H H6H2 single AS2 O2H HOH2 single AS2 O3H HOH3 single AS2 O4H HOH4 single AS2 O6H HOH6 single