# 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 SQU SQU '2,10,23-TRIMETHYL-TETRACOSANE ' non-polymer 83 27 M # data_comp_SQU # 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 SQU C1 C . 0.000 SQU C2 C . 0.000 SQU C3 C . 0.000 SQU C4 C . 0.000 SQU C5 C . 0.000 SQU C6 C . 0.000 SQU C7 C . 0.000 SQU C9 C . 0.000 SQU C10 C . 0.000 SQU C11 C . 0.000 SQU C12 C . 0.000 SQU C13 C . 0.000 SQU C14 C . 0.000 SQU C15 C . 0.000 SQU C16 C . 0.000 SQU C17 C . 0.000 SQU C18 C . 0.000 SQU C20 C . 0.000 SQU C21 C . 0.000 SQU C22 C . 0.000 SQU C23 C . 0.000 SQU C25 C . 0.000 SQU C26 C . 0.000 SQU C27 C . 0.000 SQU C28 C . 0.000 SQU C29 C . 0.000 SQU C30 C . 0.000 SQU H11 H . 0.000 SQU H12 H . 0.000 SQU H13 H . 0.000 SQU H2 H . 0.000 SQU H31 H . 0.000 SQU H32 H . 0.000 SQU H33 H . 0.000 SQU H41 H . 0.000 SQU H42 H . 0.000 SQU H51 H . 0.000 SQU H52 H . 0.000 SQU H61 H . 0.000 SQU H62 H . 0.000 SQU H71 H . 0.000 SQU H72 H . 0.000 SQU H91 H . 0.000 SQU H92 H . 0.000 SQU H101 H . 0.000 SQU H102 H . 0.000 SQU H111 H . 0.000 SQU H112 H . 0.000 SQU H_12 H . 0.000 SQU H131 H . 0.000 SQU H132 H . 0.000 SQU H133 H . 0.000 SQU H141 H . 0.000 SQU H142 H . 0.000 SQU H151 H . 0.000 SQU H152 H . 0.000 SQU H161 H . 0.000 SQU H162 H . 0.000 SQU H171 H . 0.000 SQU H172 H . 0.000 SQU H181 H . 0.000 SQU H182 H . 0.000 SQU H201 H . 0.000 SQU H202 H . 0.000 SQU H211 H . 0.000 SQU H212 H . 0.000 SQU H221 H . 0.000 SQU H222 H . 0.000 SQU H231 H . 0.000 SQU H232 H . 0.000 SQU H251 H . 0.000 SQU H252 H . 0.000 SQU H261 H . 0.000 SQU H262 H . 0.000 SQU H271 H . 0.000 SQU H272 H . 0.000 SQU H28 H . 0.000 SQU H291 H . 0.000 SQU H292 H . 0.000 SQU H293 H . 0.000 SQU H301 H . 0.000 SQU H302 H . 0.000 SQU H303 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 SQU C1 C2 single SQU C1 H11 single SQU C1 H12 single SQU C1 H13 single SQU C2 C3 single SQU C2 C4 single SQU C2 H2 single SQU C3 H31 single SQU C3 H32 single SQU C3 H33 single SQU C4 C5 single SQU C4 H41 single SQU C4 H42 single SQU C5 C6 single SQU C5 H51 single SQU C5 H52 single SQU C6 C7 single SQU C6 H61 single SQU C6 H62 single SQU C7 C9 single SQU C7 H71 single SQU C7 H72 single SQU C9 C10 single SQU C9 H91 single SQU C9 H92 single SQU C10 C11 single SQU C10 H101 single SQU C10 H102 single SQU C11 C12 single SQU C11 H111 single SQU C11 H112 single SQU C12 C13 single SQU C12 C14 single SQU C12 H_12 single SQU C13 H131 single SQU C13 H132 single SQU C13 H133 single SQU C14 C15 single SQU C14 H141 single SQU C14 H142 single SQU C15 C16 single SQU C15 H151 single SQU C15 H152 single SQU C16 C17 single SQU C16 H161 single SQU C16 H162 single SQU C17 C18 single SQU C17 H171 single SQU C17 H172 single SQU C18 C20 single SQU C18 H181 single SQU C18 H182 single SQU C20 C21 single SQU C20 H201 single SQU C20 H202 single SQU C21 C22 single SQU C21 H211 single SQU C21 H212 single SQU C22 C23 single SQU C22 H221 single SQU C22 H222 single SQU C23 C25 single SQU C23 H231 single SQU C23 H232 single SQU C25 C26 single SQU C25 H251 single SQU C25 H252 single SQU C26 C27 single SQU C26 H261 single SQU C26 H262 single SQU C27 C28 single SQU C27 H271 single SQU C27 H272 single SQU C28 C29 single SQU C28 C30 single SQU C28 H28 single SQU C29 H291 single SQU C29 H292 single SQU C29 H293 single SQU C30 H301 single SQU C30 H302 single SQU C30 H303 single