# 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 T16 T16 'BOROLOG2 ' non-polymer 67 35 M # data_comp_T16 # 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 T16 BR1 BR . 0.000 T16 BR2 BR . 0.000 T16 C1 C . 0.000 T16 C2 C . 0.000 T16 C3 C . 0.000 T16 C4 C . 0.000 T16 B B . 0.000 T16 O1A O . 0.000 T16 O1B O . 0.000 T16 N5 N . 0.000 T16 O6 O . 0.000 T16 C6 C . 0.000 T16 C7 C . 0.000 T16 C7A C . 0.000 T16 C7B C . 0.000 T16 C7C C . 0.000 T16 N8 N . 0.000 T16 O9 O . 0.000 T16 C9 C . 0.000 T16 C10 C . 0.000 T16 N12 N . 0.000 T16 C11 C . 0.000 T16 C21 C . 0.000 T16 C22 C . 0.000 T16 C23 C . 0.000 T16 C24 C . 0.000 T16 C25 C . 0.000 T16 C26 C . 0.000 T16 O13 O . 0.000 T16 C13 C . 0.000 T16 C14 C . 0.000 T16 C15 C . 0.000 T16 C16 C . 0.000 T16 C17 C . 0.000 T16 O17 O . 0.000 T16 H1 H . 0.000 T16 H21 H . 0.000 T16 H22 H . 0.000 T16 H31 H . 0.000 T16 H32 H . 0.000 T16 H4 H . 0.000 T16 AHO1 H . 0.000 T16 BHO1 H . 0.000 T16 HN5 H . 0.000 T16 H7 H . 0.000 T16 H7A1 H . 0.000 T16 H7A2 H . 0.000 T16 H7B1 H . 0.000 T16 H7B2 H . 0.000 T16 H7C1 H . 0.000 T16 H7C2 H . 0.000 T16 H10 H . 0.000 T16 HN2 H . 0.000 T16 H111 H . 0.000 T16 H112 H . 0.000 T16 H_22 H . 0.000 T16 H23 H . 0.000 T16 H24 H . 0.000 T16 H25 H . 0.000 T16 H26 H . 0.000 T16 H141 H . 0.000 T16 H142 H . 0.000 T16 H151 H . 0.000 T16 H152 H . 0.000 T16 H161 H . 0.000 T16 H162 H . 0.000 T16 H17 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 T16 BR1 C1 single T16 BR2 C1 single T16 C1 C2 single T16 C1 H1 single T16 C2 C3 single T16 C2 H21 single T16 C2 H22 single T16 C3 C4 single T16 C3 H31 single T16 C3 H32 single T16 C4 B single T16 C4 N5 single T16 C4 H4 single T16 B O1A single T16 B O1B single T16 O1A AHO1 single T16 O1B BHO1 single T16 N5 C6 single T16 N5 HN5 single T16 O6 C6 double T16 C6 C7 single T16 C7 C7A single T16 C7 N8 single T16 C7 H7 single T16 C7A C7B single T16 C7A H7A1 single T16 C7A H7A2 single T16 C7B C7C single T16 C7B H7B1 single T16 C7B H7B2 single T16 C7C N8 single T16 C7C H7C1 single T16 C7C H7C2 single T16 N8 C9 single T16 O9 C9 double T16 C9 C10 single T16 C10 N12 single T16 C10 C11 single T16 C10 H10 single T16 N12 C13 single T16 N12 HN2 single T16 C11 C21 single T16 C11 H111 single T16 C11 H112 single T16 C21 C22 double T16 C21 C26 single T16 C22 C23 single T16 C22 H_22 single T16 C23 C24 double T16 C23 H23 single T16 C24 C25 single T16 C24 H24 single T16 C25 C26 double T16 C25 H25 single T16 C26 H26 single T16 O13 C13 double T16 C13 C14 single T16 C14 C15 single T16 C14 H141 single T16 C14 H142 single T16 C15 C16 single T16 C15 H151 single T16 C15 H152 single T16 C16 C17 single T16 C16 H161 single T16 C16 H162 single T16 C17 O17 double T16 C17 H17 single