# 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 ARB ARB 'beta_L_arabinose ' L-pyranose 20 10 . # data_comp_ARB # 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 ARB C1 C CH1 0.000 ARB H1 H HCH1 0.000 ARB O1 O OH1 0.000 ARB HO1 H HOH1 0.000 ARB C2 C CH1 0.000 ARB H2 H HCH1 0.000 ARB O2 O OH1 0.000 ARB HO2 H HOH1 0.000 ARB C3 C CH1 0.000 ARB H3 H HCH1 0.000 ARB O3 O OH1 0.000 ARB HO3 H HOH1 0.000 ARB C4 C CH1 0.000 ARB H4 H HCH1 0.000 ARB O4 O OH1 0.000 ARB HO4 H HOH1 0.000 ARB C5 C CH1 0.000 ARB H51 H HCH1 0.000 ARB H52 H HCH1 0.000 ARB 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 ARB C1 n/a C2 START ARB H1 C1 . . ARB O1 C1 HO1 . ARB HO1 O1 . . ARB C2 C1 C3 . ARB H2 C2 . . ARB O2 C2 HO2 . ARB HO2 O2 . . ARB C3 C2 C4 . ARB H3 C3 . . ARB O3 C3 HO3 . ARB HO3 O3 . . ARB C4 C3 C5 . ARB H4 C4 . . ARB O4 C4 HO4 . ARB HO4 O4 . . ARB C5 C4 O5 . ARB H51 C5 . . ARB H52 C5 . . ARB O5 C5 . END ARB O5 C1 . 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 ARB O1 C1 coval 1.410 0.020 ARB C2 C1 coval 1.524 0.020 ARB O2 C2 coval 1.410 0.020 ARB C3 C2 coval 1.524 0.020 ARB O3 C3 coval 1.410 0.020 ARB C4 C3 coval 1.524 0.020 ARB O4 C4 coval 1.410 0.020 ARB C5 C4 coval 1.524 0.020 ARB O5 C5 coval 1.410 0.020 ARB H1 C1 coval 1.090 0.020 ARB HO1 O1 coval 0.980 0.020 ARB H2 C2 coval 1.090 0.020 ARB HO2 O2 coval 0.980 0.020 ARB H3 C3 coval 1.090 0.020 ARB HO3 O3 coval 0.980 0.020 ARB H4 C4 coval 1.090 0.020 ARB HO4 O4 coval 0.980 0.020 ARB H51 C5 coval 1.090 0.020 ARB H52 C5 coval 1.090 0.020 ARB C1 O5 coval 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 ARB H1 C1 O1 109.470 3.000 ARB O1 C1 C2 109.470 3.000 ARB H1 C1 O5 109.470 3.000 ARB H1 C1 C2 109.470 3.000 ARB C2 C1 O5 109.470 3.000 ARB O1 C1 O5 109.470 3.000 ARB C1 O1 HO1 109.470 3.000 ARB C1 C2 H2 108.340 3.000 ARB C1 C2 O2 109.470 3.000 ARB C1 C2 C3 111.000 3.000 ARB H2 C2 O2 109.470 3.000 ARB O2 C2 C3 109.470 3.000 ARB C2 O2 HO2 109.470 3.000 ARB C2 C3 H3 108.340 3.000 ARB C2 C3 O3 109.470 3.000 ARB C2 C3 C4 111.000 3.000 ARB H3 C3 O3 109.470 3.000 ARB O3 C3 C4 109.470 3.000 ARB C3 O3 HO3 109.470 3.000 ARB C3 C4 H4 108.340 3.000 ARB C3 C4 O4 109.470 3.000 ARB C3 C4 C5 111.000 3.000 ARB H4 C4 O4 109.470 3.000 ARB O4 C4 C5 109.470 3.000 ARB C4 O4 HO4 109.470 3.000 ARB C4 C5 H51 108.340 3.000 ARB C4 C5 H52 108.340 3.000 ARB H51 C5 H52 109.470 3.000 ARB C4 C5 O5 109.470 3.000 ARB H51 C5 O5 108.340 3.000 ARB H52 C5 O5 108.340 3.000 ARB 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 ARB var_1 C1 C2 O2 HO2 0.000 20.000 1 ARB var_2 C1 C2 C3 C4 56.159 20.000 3 ARB var_3 C2 C3 O3 HO3 0.000 20.000 1 ARB var_4 C2 C3 C4 C5 -57.253 20.000 3 ARB var_5 C3 C4 O4 HO4 0.000 20.000 1 ARB var_6 C3 C4 C5 O5 59.035 20.000 3 ARB var_7 C4 C5 O5 C1 -62.082 20.000 3 ARB var_8 C2 C1 O1 HO1 0.000 20.000 1 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 ARB chir_01 C4 C3 O4 C5 negativ ARB chir_02 C3 C2 O3 C4 negativ ARB chir_03 C2 C1 O2 C3 positiv ARB chir_04 C1 O1 O5 C2 positiv