global_ _lib_name ? _lib_version ? _lib_update ? # ------------------------------------------------ # # --- LIST OF MONOMERS --- # 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 BMA BMA 'beta_D_mannose ' D-pyranose 24 12 . NAG NAG 'beta_D_N-acetyl-Glucosamine ' D-pyranose 30 15 . MAN MAN 'alpha_D_mannose ' D-pyranose 24 12 . # # --- LIST OF LINKS --- # data_link_list loop_ _chem_link.id _chem_link.comp_id_1 _chem_link.mod_id_1 _chem_link.group_comp_1 _chem_link.comp_id_2 _chem_link.mod_id_2 _chem_link.group_comp_2 _chem_link.name ASN-NAG ASN . . NAG . . bond_ASN-ND2_=_NAG-C1 NAG-NAG NAG . . NAG . . bond_NAG-O4_=_NAG-C1 NAG-BMA NAG . . BMA . . bond_NAG-O4_=_BMA-C1 BMA-MAN BMA . . MAN . . bond_BMA-O3_=_MAN-C1 BMA-MAN1 BMA . . MAN . . bond_BMA-O6_=_MAN-C1 MAN-MAN MAN . . MAN . . bond_MAN-O2_=_MAN-C1 MAN-MAN1 MAN . . MAN . . bond_MAN-O3_=_MAN-C1 MAN-MAN2 MAN . . MAN . . bond_MAN-O6_=_MAN-C1 MAN-NAG MAN . . NAG . . bond_MAN-O2_=_NAG-C1 # # --- DESCRIPTION OF MONOMERS --- # data_comp_BMA # 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 BMA C1 C CH1 0.000 BMA H1 H H 0.000 BMA O1 O OH1 0.000 BMA HO1 H H 0.000 BMA C2 C CH1 0.000 BMA H2 H H 0.000 BMA O2 O OH1 0.000 BMA HO2 H H 0.000 BMA C3 C CH1 0.000 BMA H3 H H 0.000 BMA O3 O OH1 0.000 BMA HO3 H H 0.000 BMA C4 C CH1 0.000 BMA H4 H H 0.000 BMA O4 O OH1 0.000 BMA HO4 H H 0.000 BMA C5 C CH1 0.000 BMA H5 H H 0.000 BMA C6 C CH2 0.000 BMA H61 H H 0.000 BMA H62 H H 0.000 BMA O6 O OH1 0.000 BMA HO6 H H 0.000 BMA O5 O O2 0.000 loop_ _chem_comp_tree.comp_id _chem_comp_tree.atom_id _chem_comp_tree.atom_back _chem_comp_tree.atom_forward _chem_comp_tree.connect_type BMA C1 n/a C2 START BMA H1 C1 . . BMA O1 C1 HO1 . BMA HO1 O1 . . BMA C2 C1 C3 . BMA H2 C2 . . BMA O2 C2 HO2 . BMA HO2 O2 . . BMA C3 C2 C4 . BMA H3 C3 . . BMA O3 C3 HO3 . BMA HO3 O3 . . BMA C4 C3 C5 . BMA H4 C4 . . BMA O4 C4 HO4 . BMA HO4 O4 . . BMA C5 C4 O5 . BMA H5 C5 . . BMA C6 C5 O6 . BMA H61 C6 . . BMA H62 C6 . . BMA O6 C6 . . BMA HO6 O6 . . BMA O5 C5 . END BMA C1 O5 . ADD loop_ _chem_comp_bond.comp_id _chem_comp_bond.atom_id_1 _chem_comp_bond.atom_id_2 _chem_comp_bond.type _chem_comp_bond.value_dist _chem_comp_bond.value_dist_esd BMA O1 C1 single 1.410 0.020 BMA C2 C1 single 1.524 0.020 BMA O2 C2 single 1.410 0.020 BMA C3 C2 single 1.524 0.020 BMA O3 C3 single 1.410 0.020 BMA C4 C3 single 1.524 0.020 BMA O4 C4 single 1.410 0.020 BMA C5 C4 single 1.524 0.020 BMA C6 C5 single 1.524 0.020 BMA O6 C6 single 1.410 0.020 BMA O5 C5 single 1.410 0.020 BMA H1 C1 single 1.090 0.020 BMA HO1 O1 single 0.980 0.020 BMA H2 C2 single 1.090 0.020 BMA HO2 O2 single 0.980 0.020 BMA H3 C3 single 1.090 0.020 BMA HO3 O3 single 0.980 0.020 BMA H4 C4 single 1.090 0.020 BMA HO4 O4 single 0.980 0.020 BMA H5 C5 single 1.090 0.020 BMA H61 C6 single 1.090 0.020 BMA H62 C6 single 1.090 0.020 BMA HO6 O6 single 0.980 0.020 BMA C1 O5 single 1.410 0.020 loop_ _chem_comp_angle.comp_id _chem_comp_angle.atom_id_1 _chem_comp_angle.atom_id_2 _chem_comp_angle.atom_id_3 _chem_comp_angle.value_angle _chem_comp_angle.value_angle_esd BMA H1 C1 O1 109.470 3.000 BMA O1 C1 C2 109.470 3.000 BMA H1 C1 O5 109.470 3.000 BMA H1 C1 C2 109.470 3.000 BMA C2 C1 O5 109.470 3.000 BMA O1 C1 O5 109.470 3.000 BMA C1 O1 HO1 109.470 3.000 BMA C1 C2 H2 108.340 3.000 BMA C1 C2 O2 109.470 3.000 BMA C1 C2 C3 111.000 3.000 BMA H2 C2 O2 109.470 3.000 BMA O2 C2 C3 109.470 3.000 BMA C2 O2 HO2 109.470 3.000 BMA C2 C3 H3 108.340 3.000 BMA C2 C3 O3 109.470 3.000 BMA C2 C3 C4 111.000 3.000 BMA H3 C3 O3 109.470 3.000 BMA O3 C3 C4 109.470 3.000 BMA C3 O3 HO3 109.470 3.000 BMA C3 C4 H4 108.340 3.000 BMA C3 C4 O4 109.470 3.000 BMA C3 C4 C5 111.000 3.000 BMA H4 C4 O4 109.470 3.000 BMA O4 C4 C5 109.470 3.000 BMA C4 O4 HO4 109.470 3.000 BMA C4 C5 H5 108.340 3.000 BMA C4 C5 C6 111.000 3.000 BMA C4 C5 O5 109.470 3.000 BMA H5 C5 C6 108.340 3.000 BMA C6 C5 O5 109.470 3.000 BMA C5 C6 H61 109.470 3.000 BMA C5 C6 H62 109.470 3.000 BMA C5 C6 O6 109.470 3.000 BMA H61 C6 H62 107.900 3.000 BMA H62 C6 O6 109.470 3.000 BMA C6 O6 HO6 109.470 3.000 BMA C5 O5 C1 111.800 3.000 loop_ _chem_comp_tor.comp_id _chem_comp_tor.id _chem_comp_tor.atom_id_1 _chem_comp_tor.atom_id_2 _chem_comp_tor.atom_id_3 _chem_comp_tor.atom_id_4 _chem_comp_tor.value_angle _chem_comp_tor.value_angle_esd _chem_comp_tor.period BMA var_1 C1 C2 O2 HO2 0.000 20.000 1 BMA var_2 C1 C2 C3 C4 -55.214 20.000 3 BMA var_3 C2 C3 O3 HO3 0.000 20.000 1 BMA var_4 C2 C3 C4 C5 57.978 20.000 3 BMA var_5 C3 C4 O4 HO4 0.000 20.000 1 BMA var_6 C3 C4 C5 O5 -60.478 20.000 3 BMA var_7 C4 C5 C6 O6 -172.061 20.000 3 BMA var_8 C5 C6 O6 HO6 0.000 20.000 1 BMA var_9 C4 C5 O5 C1 64.923 20.000 3 BMA var_10 C2 C1 O1 HO1 0.000 20.000 1 BMA var_11 C5 O5 C1 C2 -64.923 20.000 3 BMA var_12 O5 C1 C2 C3 64.923 20.000 3 loop_ _chem_comp_chir.comp_id _chem_comp_chir.id _chem_comp_chir.atom_id_centre _chem_comp_chir.atom_id_1 _chem_comp_chir.atom_id_2 _chem_comp_chir.atom_id_3 _chem_comp_chir.volume_sign BMA chir_01 C5 C4 O5 C6 positiv BMA chir_02 C4 C3 O4 C5 positiv BMA chir_03 C3 C2 O3 C4 negativ BMA chir_04 C2 C1 O2 C3 negativ BMA chir_05 C1 O1 O5 C2 positiv # data_comp_NAG # 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 NAG C1 C CH1 0.000 NAG H1 H H 0.000 NAG O1 O OH1 0.000 NAG HO1 H H 0.000 NAG C2 C CH1 0.000 NAG H2 H H 0.000 NAG N2 N NH1 0.000 NAG HN2 H H 0.000 NAG C7 C C 0.000 NAG O7 O O 0.000 NAG C8 C CH3 0.000 NAG H81 H H 0.000 NAG H82 H H 0.000 NAG H83 H H 0.000 NAG C3 C CH1 0.000 NAG H3 H H 0.000 NAG O3 O OH1 0.000 NAG HO3 H H 0.000 NAG C4 C CH1 0.000 NAG H4 H H 0.000 NAG O4 O OH1 0.000 NAG HO4 H H 0.000 NAG C5 C CH1 0.000 NAG H5 H H 0.000 NAG C6 C CH2 0.000 NAG H61 H H 0.000 NAG H62 H H 0.000 NAG O6 O OH1 0.000 NAG HO6 H H 0.000 NAG O5 O O2 0.000 loop_ _chem_comp_tree.comp_id _chem_comp_tree.atom_id _chem_comp_tree.atom_back _chem_comp_tree.atom_forward _chem_comp_tree.connect_type NAG C1 n/a C2 START NAG H1 C1 . . NAG O1 C1 HO1 . NAG HO1 O1 . . NAG C2 C1 C3 . NAG H2 C2 . . NAG N2 C2 C7 . NAG HN2 N2 . . NAG C7 N2 O7 . NAG O7 C7 . . NAG C8 C7 H81 . NAG H81 C8 . . NAG H82 C8 . . NAG H83 C8 . . NAG C3 C2 C4 . NAG H3 C3 . . NAG O3 C3 HO3 . NAG HO3 O3 . . NAG C4 C3 C5 . NAG H4 C4 . . NAG O4 C4 HO4 . NAG HO4 O4 . . NAG C5 C4 O5 . NAG H5 C5 . . NAG C6 C5 O6 . NAG H61 C6 . . NAG H62 C6 . . NAG O6 C6 HO6 . NAG HO6 O6 . . NAG O5 C5 . END NAG C1 O5 . ADD loop_ _chem_comp_bond.comp_id _chem_comp_bond.atom_id_1 _chem_comp_bond.atom_id_2 _chem_comp_bond.type _chem_comp_bond.value_dist _chem_comp_bond.value_dist_esd NAG O1 C1 single 1.410 0.020 NAG C2 C1 single 1.524 0.020 NAG N2 C2 single 1.450 0.020 NAG C7 N2 deloc 1.330 0.020 NAG O7 C7 double 1.230 0.020 NAG C8 C7 single 1.500 0.020 NAG C3 C2 single 1.524 0.020 NAG O3 C3 single 1.410 0.020 NAG C4 C3 single 1.524 0.020 NAG O4 C4 single 1.410 0.020 NAG C5 C4 single 1.524 0.020 NAG C6 C5 single 1.524 0.020 NAG O6 C6 single 1.410 0.020 NAG O5 C5 single 1.410 0.020 NAG H1 C1 single 1.090 0.020 NAG HO1 O1 single 0.980 0.020 NAG H2 C2 single 1.090 0.020 NAG HN2 N2 single 1.010 0.020 NAG H81 C8 single 1.090 0.020 NAG H82 C8 single 1.090 0.020 NAG H83 C8 single 1.090 0.020 NAG H3 C3 single 1.090 0.020 NAG HO3 O3 single 0.980 0.020 NAG H4 C4 single 1.090 0.020 NAG HO4 O4 single 0.980 0.020 NAG H5 C5 single 1.090 0.020 NAG H61 C6 single 1.090 0.020 NAG H62 C6 single 1.090 0.020 NAG HO6 O6 single 0.980 0.020 NAG C1 O5 single 1.410 0.020 loop_ _chem_comp_angle.comp_id _chem_comp_angle.atom_id_1 _chem_comp_angle.atom_id_2 _chem_comp_angle.atom_id_3 _chem_comp_angle.value_angle _chem_comp_angle.value_angle_esd NAG H1 C1 O1 109.470 3.000 NAG O1 C1 C2 109.470 3.000 NAG H1 C1 O5 109.470 3.000 NAG H1 C1 C2 109.470 3.000 NAG C2 C1 O5 109.470 3.000 NAG O1 C1 O5 109.470 3.000 NAG C1 O1 HO1 109.470 3.000 NAG C1 C2 H2 108.340 3.000 NAG C1 C2 N2 110.000 3.000 NAG C1 C2 C3 111.000 3.000 NAG H2 C2 N2 108.550 3.000 NAG N2 C2 C3 110.000 3.000 NAG C2 N2 HN2 118.500 3.000 NAG C2 N2 C7 121.500 3.000 NAG HN2 N2 C7 120.000 3.000 NAG N2 C7 O7 123.000 3.000 NAG N2 C7 C8 116.500 3.000 NAG O7 C7 C8 120.500 3.000 NAG C7 C8 H81 109.470 3.000 NAG C7 C8 H82 109.470 3.000 NAG C7 C8 H83 109.470 3.000 NAG H81 C8 H82 109.470 3.000 NAG H82 C8 H83 109.470 3.000 NAG C2 C3 H3 108.340 3.000 NAG C2 C3 O3 109.470 3.000 NAG C2 C3 C4 111.000 3.000 NAG H3 C3 O3 109.470 3.000 NAG O3 C3 C4 109.470 3.000 NAG C3 O3 HO3 109.470 3.000 NAG C3 C4 H4 108.340 3.000 NAG C3 C4 O4 109.470 3.000 NAG C3 C4 C5 111.000 3.000 NAG H4 C4 O4 109.470 3.000 NAG O4 C4 C5 109.470 3.000 NAG C4 O4 HO4 109.470 3.000 NAG C4 C5 H5 108.340 3.000 NAG C4 C5 C6 111.000 3.000 NAG C4 C5 O5 109.470 3.000 NAG H5 C5 C6 108.340 3.000 NAG C6 C5 O5 109.470 3.000 NAG C5 C6 H61 109.470 3.000 NAG C5 C6 H62 109.470 3.000 NAG C5 C6 O6 109.470 3.000 NAG H61 C6 H62 107.900 3.000 NAG H62 C6 O6 109.470 3.000 NAG C6 O6 HO6 109.470 3.000 NAG C5 O5 C1 111.800 3.000 loop_ _chem_comp_tor.comp_id _chem_comp_tor.id _chem_comp_tor.atom_id_1 _chem_comp_tor.atom_id_2 _chem_comp_tor.atom_id_3 _chem_comp_tor.atom_id_4 _chem_comp_tor.value_angle _chem_comp_tor.value_angle_esd _chem_comp_tor.period NAG var_1 C1 C2 N2 C7 115.969 20.000 3 NAG CONST_01 C2 N2 C7 C8 180.000 0.000 0 NAG var_2 N2 C7 C8 H83 0.000 20.000 1 NAG var_3 C1 C2 C3 C4 -52.621 20.000 3 NAG var_4 C2 C3 O3 HO3 0.000 20.000 1 NAG var_5 C2 C3 C4 C5 50.642 20.000 3 NAG var_6 C3 C4 O4 HO4 0.000 20.000 1 NAG var_7 C3 C4 C5 O5 -53.587 20.000 3 NAG var_8 C4 C5 C6 O6 58.856 20.000 3 NAG var_9 C5 C6 O6 HO6 0.000 20.000 1 NAG var_10 C4 C5 O5 C1 18.000 20.000 3 NAG var_11 C2 C1 O1 HO1 0.000 20.000 1 NAG var_12 C5 O5 C1 C2 -18.000 20.000 3 NAG var_13 O5 C1 C2 C3 18.000 20.000 3 loop_ _chem_comp_chir.comp_id _chem_comp_chir.id _chem_comp_chir.atom_id_centre _chem_comp_chir.atom_id_1 _chem_comp_chir.atom_id_2 _chem_comp_chir.atom_id_3 _chem_comp_chir.volume_sign NAG chir_01 C5 C4 O5 C6 positiv NAG chir_02 C4 C3 O4 C5 positiv NAG chir_03 C3 C2 O3 C4 negativ NAG chir_04 C2 C1 N2 C3 positiv NAG chir_05 C1 O1 O5 C2 positiv loop_ _chem_comp_plane_atom.comp_id _chem_comp_plane_atom.plane_id _chem_comp_plane_atom.atom_id _chem_comp_plane_atom.dist_esd NAG plan1 N2 0.020 NAG plan1 C7 0.020 NAG plan1 O7 0.020 NAG plan1 C8 0.020 NAG plan1 C2 0.020 NAG plan1 HN2 0.020 # data_comp_MAN # 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 MAN C1 C CH1 0.000 MAN H1 H H 0.000 MAN O1 O OH1 0.000 MAN HO1 H H 0.000 MAN C2 C CH1 0.000 MAN H2 H H 0.000 MAN O2 O OH1 0.000 MAN HO2 H H 0.000 MAN C3 C CH1 0.000 MAN H3 H H 0.000 MAN O3 O OH1 0.000 MAN HO3 H H 0.000 MAN C4 C CH1 0.000 MAN H4 H H 0.000 MAN O4 O OH1 0.000 MAN HO4 H H 0.000 MAN C5 C CH1 0.000 MAN H5 H H 0.000 MAN C6 C CH2 0.000 MAN H61 H H 0.000 MAN H62 H H 0.000 MAN O6 O OH1 0.000 MAN HO6 H H 0.000 MAN O5 O O2 0.000 loop_ _chem_comp_tree.comp_id _chem_comp_tree.atom_id _chem_comp_tree.atom_back _chem_comp_tree.atom_forward _chem_comp_tree.connect_type MAN C1 n/a C2 START MAN H1 C1 . . MAN O1 C1 HO1 . MAN HO1 O1 . . MAN C2 C1 C3 . MAN H2 C2 . . MAN O2 C2 HO2 . MAN HO2 O2 . . MAN C3 C2 C4 . MAN H3 C3 . . MAN O3 C3 HO3 . MAN HO3 O3 . . MAN C4 C3 C5 . MAN H4 C4 . . MAN O4 C4 HO4 . MAN HO4 O4 . . MAN C5 C4 O5 . MAN H5 C5 . . MAN C6 C5 O6 . MAN H61 C6 . . MAN H62 C6 . . MAN O6 C6 . . MAN HO6 O6 . . MAN O5 C5 . END MAN C1 O5 . ADD loop_ _chem_comp_bond.comp_id _chem_comp_bond.atom_id_1 _chem_comp_bond.atom_id_2 _chem_comp_bond.type _chem_comp_bond.value_dist _chem_comp_bond.value_dist_esd MAN O1 C1 single 1.410 0.020 MAN C2 C1 single 1.524 0.020 MAN O2 C2 single 1.410 0.020 MAN C3 C2 single 1.524 0.020 MAN O3 C3 single 1.410 0.020 MAN C4 C3 single 1.524 0.020 MAN O4 C4 single 1.410 0.020 MAN C5 C4 single 1.524 0.020 MAN C6 C5 single 1.524 0.020 MAN O6 C6 single 1.410 0.020 MAN O5 C5 single 1.410 0.020 MAN H1 C1 single 1.090 0.020 MAN HO1 O1 single 0.980 0.020 MAN H2 C2 single 1.090 0.020 MAN HO2 O2 single 0.980 0.020 MAN H3 C3 single 1.090 0.020 MAN HO3 O3 single 0.980 0.020 MAN H4 C4 single 1.090 0.020 MAN HO4 O4 single 0.980 0.020 MAN H5 C5 single 1.090 0.020 MAN H61 C6 single 1.090 0.020 MAN H62 C6 single 1.090 0.020 MAN HO6 O6 single 0.980 0.020 MAN C1 O5 single 1.410 0.020 loop_ _chem_comp_angle.comp_id _chem_comp_angle.atom_id_1 _chem_comp_angle.atom_id_2 _chem_comp_angle.atom_id_3 _chem_comp_angle.value_angle _chem_comp_angle.value_angle_esd MAN H1 C1 O1 109.470 3.000 MAN O1 C1 C2 109.470 3.000 MAN H1 C1 O5 109.470 3.000 MAN H1 C1 C2 109.470 3.000 MAN C2 C1 O5 109.470 3.000 MAN O1 C1 O5 109.470 3.000 MAN C1 O1 HO1 109.470 3.000 MAN C1 C2 H2 108.340 3.000 MAN C1 C2 O2 109.470 3.000 MAN C1 C2 C3 111.000 3.000 MAN H2 C2 O2 109.470 3.000 MAN O2 C2 C3 109.470 3.000 MAN C2 O2 HO2 109.470 3.000 MAN C2 C3 H3 108.340 3.000 MAN C2 C3 O3 109.470 3.000 MAN C2 C3 C4 111.000 3.000 MAN H3 C3 O3 109.470 3.000 MAN O3 C3 C4 109.470 3.000 MAN C3 O3 HO3 109.470 3.000 MAN C3 C4 H4 108.340 3.000 MAN C3 C4 O4 109.470 3.000 MAN C3 C4 C5 111.000 3.000 MAN H4 C4 O4 109.470 3.000 MAN O4 C4 C5 109.470 3.000 MAN C4 O4 HO4 109.470 3.000 MAN C4 C5 H5 108.340 3.000 MAN C4 C5 C6 111.000 3.000 MAN C4 C5 O5 109.470 3.000 MAN H5 C5 C6 108.340 3.000 MAN C6 C5 O5 109.470 3.000 MAN C5 C6 H61 109.470 3.000 MAN C5 C6 H62 109.470 3.000 MAN C5 C6 O6 109.470 3.000 MAN H61 C6 H62 107.900 3.000 MAN H62 C6 O6 109.470 3.000 MAN C6 O6 HO6 109.470 3.000 MAN C5 O5 C1 111.800 3.000 loop_ _chem_comp_tor.comp_id _chem_comp_tor.id _chem_comp_tor.atom_id_1 _chem_comp_tor.atom_id_2 _chem_comp_tor.atom_id_3 _chem_comp_tor.atom_id_4 _chem_comp_tor.value_angle _chem_comp_tor.value_angle_esd _chem_comp_tor.period MAN var_1 C1 C2 O2 HO2 0.000 20.000 1 MAN var_2 C1 C2 C3 C4 -55.214 20.000 3 MAN var_3 C2 C3 O3 HO3 0.000 20.000 1 MAN var_4 C2 C3 C4 C5 57.978 20.000 3 MAN var_5 C3 C4 O4 HO4 0.000 20.000 1 MAN var_6 C3 C4 C5 O5 -60.478 20.000 3 MAN var_7 C4 C5 C6 O6 -172.061 20.000 3 MAN var_8 C5 C6 O6 HO6 0.000 20.000 1 MAN var_9 C4 C5 O5 C1 64.923 20.000 3 MAN var_10 C2 C1 O1 HO1 0.000 20.000 1 MAN var_11 C5 O5 C1 C2 -64.923 20.000 3 MAN var_12 O5 C1 C2 C3 64.923 20.000 3 loop_ _chem_comp_chir.comp_id _chem_comp_chir.id _chem_comp_chir.atom_id_centre _chem_comp_chir.atom_id_1 _chem_comp_chir.atom_id_2 _chem_comp_chir.atom_id_3 _chem_comp_chir.volume_sign MAN chir_01 C5 C4 O5 C6 positiv MAN chir_02 C4 C3 O4 C5 positiv MAN chir_03 C3 C2 O3 C4 negativ MAN chir_04 C2 C1 O2 C3 negativ MAN chir_05 C1 O1 O5 C2 negativ # ------------------------------------------------------ # ------------------------------------------------------ # # --- DESCRIPTION OF LINKS --- # # data_link_ASN-NAG loop_ _chem_link_bond.link_id _chem_link_bond.atom_1_comp_id _chem_link_bond.atom_id_1 _chem_link_bond.atom_2_comp_id _chem_link_bond.atom_id_2 _chem_link_bond.type _chem_link_bond.value_dist _chem_link_bond.value_dist_esd ASN-NAG 1 ND2 2 C1 coval 1.450 0.020 # data_link_NAG-NAG loop_ _chem_link_bond.link_id _chem_link_bond.atom_1_comp_id _chem_link_bond.atom_id_1 _chem_link_bond.atom_2_comp_id _chem_link_bond.atom_id_2 _chem_link_bond.type _chem_link_bond.value_dist _chem_link_bond.value_dist_esd NAG-NAG 1 O4 2 C1 coval 1.432 0.020 # data_link_NAG-BMA loop_ _chem_link_bond.link_id _chem_link_bond.atom_1_comp_id _chem_link_bond.atom_id_1 _chem_link_bond.atom_2_comp_id _chem_link_bond.atom_id_2 _chem_link_bond.type _chem_link_bond.value_dist _chem_link_bond.value_dist_esd NAG-BMA 1 O4 2 C1 coval 1.432 0.020 # data_link_BMA-MAN loop_ _chem_link_bond.link_id _chem_link_bond.atom_1_comp_id _chem_link_bond.atom_id_1 _chem_link_bond.atom_2_comp_id _chem_link_bond.atom_id_2 _chem_link_bond.type _chem_link_bond.value_dist _chem_link_bond.value_dist_esd BMA-MAN 1 O3 2 C1 coval 1.432 0.020 # data_link_BMA-MAN1 loop_ _chem_link_bond.link_id _chem_link_bond.atom_1_comp_id _chem_link_bond.atom_id_1 _chem_link_bond.atom_2_comp_id _chem_link_bond.atom_id_2 _chem_link_bond.type _chem_link_bond.value_dist _chem_link_bond.value_dist_esd BMA-MAN1 1 O6 2 C1 coval 1.432 0.020 # data_link_MAN-MAN loop_ _chem_link_bond.link_id _chem_link_bond.atom_1_comp_id _chem_link_bond.atom_id_1 _chem_link_bond.atom_2_comp_id _chem_link_bond.atom_id_2 _chem_link_bond.type _chem_link_bond.value_dist _chem_link_bond.value_dist_esd MAN-MAN 1 O2 2 C1 coval 1.432 0.020 # data_link_MAN-MAN1 loop_ _chem_link_bond.link_id _chem_link_bond.atom_1_comp_id _chem_link_bond.atom_id_1 _chem_link_bond.atom_2_comp_id _chem_link_bond.atom_id_2 _chem_link_bond.type _chem_link_bond.value_dist _chem_link_bond.value_dist_esd MAN-MAN1 1 O3 2 C1 coval 1.432 0.020 # data_link_MAN-MAN2 loop_ _chem_link_bond.link_id _chem_link_bond.atom_1_comp_id _chem_link_bond.atom_id_1 _chem_link_bond.atom_2_comp_id _chem_link_bond.atom_id_2 _chem_link_bond.type _chem_link_bond.value_dist _chem_link_bond.value_dist_esd MAN-MAN2 1 O6 2 C1 coval 1.432 0.020 # data_link_MAN-NAG loop_ _chem_link_bond.link_id _chem_link_bond.atom_1_comp_id _chem_link_bond.atom_id_1 _chem_link_bond.atom_2_comp_id _chem_link_bond.atom_id_2 _chem_link_bond.type _chem_link_bond.value_dist _chem_link_bond.value_dist_esd MAN-NAG 1 O2 2 C1 coval 1.432 0.020 # ------------------------------------------------------