# 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 BA1 BA1 'BALANOL ' non-polymer 66 40 M # data_comp_BA1 # 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 BA1 'C1'' C . 0.000 BA1 'C2'' C . 0.000 BA1 'C3'' C . 0.000 BA1 'C4'' C . 0.000 BA1 'C5'' C . 0.000 BA1 'O5'' O . 0.000 BA1 'C6'' C . 0.000 BA1 'C7'' C . 0.000 BA1 'O1'' O . 0.000 BA1 'N1'' N . 0.000 BA1 N1 N . 0.000 BA1 C2 C . 0.000 BA1 C3 C . 0.000 BA1 C4 C . 0.000 BA1 C5 C . 0.000 BA1 C6 C . 0.000 BA1 C7 C . 0.000 BA1 O1A2 O . 0.000 BA1 C1" C . 0.000 BA1 O1B2 O . 0.000 BA1 C2" C . 0.000 BA1 C3" C . 0.000 BA1 C4" C . 0.000 BA1 O4" O . 0.000 BA1 C5" C . 0.000 BA1 C6" C . 0.000 BA1 O6" O . 0.000 BA1 C7" C . 0.000 BA1 C8" C . 0.000 BA1 O8" O . 0.000 BA1 C9" C . 0.000 BA1 C102 C . 0.000 BA1 O102 O . 0.000 BA1 C112 C . 0.000 BA1 C122 C . 0.000 BA1 C132 C . 0.000 BA1 C142 C . 0.000 BA1 C152 C . 0.000 BA1 O152 O . 0.000 BA1 O162 O . 0.000 BA1 'HO5'' H . 0.000 BA1 'HN1'' H . 0.000 BA1 HN1 H . 0.000 BA1 H21 H . 0.000 BA1 H22 H . 0.000 BA1 H3 H . 0.000 BA1 H4 H . 0.000 BA1 H51 H . 0.000 BA1 H52 H . 0.000 BA1 H61 H . 0.000 BA1 H62 H . 0.000 BA1 H71 H . 0.000 BA1 H72 H . 0.000 BA1 HO4" H . 0.000 BA1 HO6" H . 0.000 BA1 AH2O H . 0.000 BA1 FH2O H . 0.000 BA1 'H3'' H . 0.000 BA1 'H4'' H . 0.000 BA1 'H6'' H . 0.000 BA1 'H7'' H . 0.000 BA1 H3" H . 0.000 BA1 H7" H . 0.000 BA1 H112 H . 0.000 BA1 H122 H . 0.000 BA1 H132 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 BA1 'C1'' 'C2'' single BA1 'C1'' 'O1'' double BA1 'C1'' 'N1'' single BA1 'C2'' 'C3'' double BA1 'C2'' 'C7'' single BA1 'C3'' 'C4'' single BA1 'C3'' 'H3'' single BA1 'C4'' 'C5'' double BA1 'C4'' 'H4'' single BA1 'C5'' 'O5'' single BA1 'C5'' 'C6'' single BA1 'O5'' 'HO5'' single BA1 'C6'' 'C7'' double BA1 'C6'' 'H6'' single BA1 'C7'' 'H7'' single BA1 'N1'' C3 single BA1 'N1'' 'HN1'' single BA1 N1 C2 single BA1 N1 C7 single BA1 N1 HN1 single BA1 C2 C3 single BA1 C2 H21 single BA1 C2 H22 single BA1 C3 C4 single BA1 C3 H3 single BA1 C4 C5 single BA1 C4 O1A2 single BA1 C4 H4 single BA1 C5 C6 single BA1 C5 H51 single BA1 C5 H52 single BA1 C6 C7 single BA1 C6 H61 single BA1 C6 H62 single BA1 C7 H71 single BA1 C7 H72 single BA1 O1A2 C1" single BA1 C1" O1B2 double BA1 C1" C2" single BA1 C2" C3" double BA1 C2" C7" single BA1 C3" C4" single BA1 C3" H3" single BA1 C4" O4" single BA1 C4" C5" double BA1 O4" HO4" single BA1 C5" C6" single BA1 C5" C8" single BA1 C6" O6" single BA1 C6" C7" double BA1 O6" HO6" single BA1 C7" H7" single BA1 C8" O8" double BA1 C8" C9" single BA1 C9" C102 double BA1 C9" C142 single BA1 C102 O102 single BA1 C102 C112 single BA1 O102 AH2O single BA1 C112 C122 double BA1 C112 H112 single BA1 C122 C132 single BA1 C122 H122 single BA1 C132 C142 double BA1 C132 H132 single BA1 C142 C152 single BA1 C152 O152 single BA1 C152 O162 double BA1 O152 FH2O single