# 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 CTR CTR 'CELLOTRIOSE ' non-polymer 66 34 M # data_comp_CTR # 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 CTR C1A C . 0.000 CTR C2A C . 0.000 CTR C3A C . 0.000 CTR C4A C . 0.000 CTR C5A C . 0.000 CTR C6A C . 0.000 CTR O2A O . 0.000 CTR O3A O . 0.000 CTR O4A O . 0.000 CTR O5A O . 0.000 CTR O6A O . 0.000 CTR C1B C . 0.000 CTR C2B C . 0.000 CTR C3B C . 0.000 CTR C4B C . 0.000 CTR C5B C . 0.000 CTR C6B C . 0.000 CTR O2B O . 0.000 CTR O3B O . 0.000 CTR O4B O . 0.000 CTR O5B O . 0.000 CTR O6B O . 0.000 CTR C1C C . 0.000 CTR C2C C . 0.000 CTR C3C C . 0.000 CTR C4C C . 0.000 CTR C5C C . 0.000 CTR C6C C . 0.000 CTR O1C O . 0.000 CTR O2C O . 0.000 CTR O3C O . 0.000 CTR O4C O . 0.000 CTR O5C O . 0.000 CTR O6C O . 0.000 CTR H1A H . 0.000 CTR H2A H . 0.000 CTR H3A H . 0.000 CTR H4A H . 0.000 CTR H5A H . 0.000 CTR H6A1 H . 0.000 CTR H6A2 H . 0.000 CTR AHO2 H . 0.000 CTR AHO3 H . 0.000 CTR AHO4 H . 0.000 CTR AHO6 H . 0.000 CTR H1B H . 0.000 CTR H2B H . 0.000 CTR H3B H . 0.000 CTR H4B H . 0.000 CTR H5B H . 0.000 CTR H6B1 H . 0.000 CTR H6B2 H . 0.000 CTR BHO2 H . 0.000 CTR BHO3 H . 0.000 CTR BHO6 H . 0.000 CTR H1C H . 0.000 CTR H2C H . 0.000 CTR H3C H . 0.000 CTR H4C H . 0.000 CTR H5C H . 0.000 CTR H6C1 H . 0.000 CTR H6C2 H . 0.000 CTR CHO1 H . 0.000 CTR CHO2 H . 0.000 CTR CHO3 H . 0.000 CTR CHO6 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 CTR C1A C2A single CTR C1A O4B single CTR C1A O5A single CTR C1A H1A single CTR C2A C3A single CTR C2A O2A single CTR C2A H2A single CTR C3A C4A single CTR C3A O3A single CTR C3A H3A single CTR C4A C5A single CTR C4A O4A single CTR C4A H4A single CTR C5A C6A single CTR C5A O5A single CTR C5A H5A single CTR C6A O6A single CTR C6A H6A1 single CTR C6A H6A2 single CTR O2A AHO2 single CTR O3A AHO3 single CTR O4A AHO4 single CTR O6A AHO6 single CTR C1B C2B single CTR C1B O4C single CTR C1B O5B single CTR C1B H1B single CTR C2B C3B single CTR C2B O2B single CTR C2B H2B single CTR C3B C4B single CTR C3B O3B single CTR C3B H3B single CTR C4B C5B single CTR C4B O4B single CTR C4B H4B single CTR C5B C6B single CTR C5B O5B single CTR C5B H5B single CTR C6B O6B single CTR C6B H6B1 single CTR C6B H6B2 single CTR O2B BHO2 single CTR O3B BHO3 single CTR O6B BHO6 single CTR C1C C2C single CTR C1C O1C single CTR C1C O5C single CTR C1C H1C single CTR C2C C3C single CTR C2C O2C single CTR C2C H2C single CTR C3C C4C single CTR C3C O3C single CTR C3C H3C single CTR C4C C5C single CTR C4C O4C single CTR C4C H4C single CTR C5C C6C single CTR C5C O5C single CTR C5C H5C single CTR C6C O6C single CTR C6C H6C1 single CTR C6C H6C2 single CTR O1C CHO1 single CTR O2C CHO2 single CTR O3C CHO3 single CTR O6C CHO6 single