# 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 BAL BAL 'BETA-ALANINE ' polymer 10 5 . # data_comp_BAL # 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 BAL N N NH1 0.000 BAL H H HNH1 0.000 BAL CA C CH2 0.000 BAL HA1 H HCH2 0.000 BAL HA2 H HCH2 0.000 BAL CB C CH2 0.000 BAL HB1 H HCH2 0.000 BAL HB2 H HCH2 0.000 BAL C C C 0.000 BAL O O O 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 BAL N n/a CB START BAL H N . . BAL CA CB C . BAL HA1 CB . . BAL HA2 CB . . BAL CB N CA . BAL HB1 CB . . BAL HB2 CB . . BAL C CA . END BAL O C . . 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 BAL N H coval 0.860 0.020 BAL N CB coval 1.458 0.019 BAL CB HB1 coval 0.980 0.020 BAL CB HB2 coval 0.980 0.020 BAL CA CB coval 1.521 0.033 BAL CA HA1 coval 0.960 0.020 BAL CA HA2 coval 0.960 0.020 BAL CA C coval 1.525 0.021 BAL C O coval 1.231 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 BAL H N CB 114.000 3.000 BAL HA1 CA CB 109.000 3.000 BAL HA2 CA CB 109.000 3.000 BAL HA1 CA HA2 109.000 3.000 BAL CB CA C 110.500 1.500 BAL HA1 CA C 109.000 3.000 BAL HA2 CA C 109.000 3.000 BAL N CB HB1 110.000 3.000 BAL N CB HB2 110.000 3.000 BAL N CB CA 110.400 1.500 BAL HB1 CB HB2 110.000 3.000 BAL CA CB HB1 109.000 3.000 BAL CA CB HB2 109.000 3.000 BAL CA C O 120.800 1.700 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 BAL var_1 N CB CA C 60.000 15.000 3