# 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 T80 T80 'METHYLPENTA(OXYETHYL) HEPTADECANOATE' non-polymer 94 36 M # data_comp_T80 # 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 T80 C1 C . 0.000 T80 O2 O . 0.000 T80 C3 C . 0.000 T80 C4 C . 0.000 T80 O5 O . 0.000 T80 C6 C . 0.000 T80 C7 C . 0.000 T80 O8 O . 0.000 T80 C9 C . 0.000 T80 C10 C . 0.000 T80 O11 O . 0.000 T80 C12 C . 0.000 T80 C13 C . 0.000 T80 O14 O . 0.000 T80 C15 C . 0.000 T80 C16 C . 0.000 T80 O17 O . 0.000 T80 C18 C . 0.000 T80 O19 O . 0.000 T80 C20 C . 0.000 T80 C21 C . 0.000 T80 C22 C . 0.000 T80 C23 C . 0.000 T80 C24 C . 0.000 T80 C25 C . 0.000 T80 C26 C . 0.000 T80 C27 C . 0.000 T80 C28 C . 0.000 T80 C29 C . 0.000 T80 C30 C . 0.000 T80 C31 C . 0.000 T80 C32 C . 0.000 T80 C33 C . 0.000 T80 C34 C . 0.000 T80 C35 C . 0.000 T80 C36 C . 0.000 T80 H11 H . 0.000 T80 H12 H . 0.000 T80 H13 H . 0.000 T80 H31 H . 0.000 T80 H32 H . 0.000 T80 H41 H . 0.000 T80 H42 H . 0.000 T80 H61 H . 0.000 T80 H62 H . 0.000 T80 H71 H . 0.000 T80 H72 H . 0.000 T80 H91 H . 0.000 T80 H92 H . 0.000 T80 H101 H . 0.000 T80 H102 H . 0.000 T80 H121 H . 0.000 T80 H122 H . 0.000 T80 H131 H . 0.000 T80 H132 H . 0.000 T80 H151 H . 0.000 T80 H152 H . 0.000 T80 H161 H . 0.000 T80 H162 H . 0.000 T80 H201 H . 0.000 T80 H202 H . 0.000 T80 H211 H . 0.000 T80 H212 H . 0.000 T80 H221 H . 0.000 T80 H222 H . 0.000 T80 H231 H . 0.000 T80 H232 H . 0.000 T80 H241 H . 0.000 T80 H242 H . 0.000 T80 H251 H . 0.000 T80 H252 H . 0.000 T80 H261 H . 0.000 T80 H262 H . 0.000 T80 H271 H . 0.000 T80 H272 H . 0.000 T80 H281 H . 0.000 T80 H282 H . 0.000 T80 H291 H . 0.000 T80 H292 H . 0.000 T80 H301 H . 0.000 T80 H302 H . 0.000 T80 H311 H . 0.000 T80 H312 H . 0.000 T80 H321 H . 0.000 T80 H322 H . 0.000 T80 H331 H . 0.000 T80 H332 H . 0.000 T80 H341 H . 0.000 T80 H342 H . 0.000 T80 H351 H . 0.000 T80 H352 H . 0.000 T80 H361 H . 0.000 T80 H362 H . 0.000 T80 H363 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 T80 C1 O2 single T80 C1 H11 single T80 C1 H12 single T80 C1 H13 single T80 O2 C3 single T80 C3 C4 single T80 C3 H31 single T80 C3 H32 single T80 C4 O5 single T80 C4 H41 single T80 C4 H42 single T80 O5 C6 single T80 C6 C7 single T80 C6 H61 single T80 C6 H62 single T80 C7 O8 single T80 C7 H71 single T80 C7 H72 single T80 O8 C9 single T80 C9 C10 single T80 C9 H91 single T80 C9 H92 single T80 C10 O11 single T80 C10 H101 single T80 C10 H102 single T80 O11 C12 single T80 C12 C13 single T80 C12 H121 single T80 C12 H122 single T80 C13 O14 single T80 C13 H131 single T80 C13 H132 single T80 O14 C15 single T80 C15 C16 single T80 C15 H151 single T80 C15 H152 single T80 C16 O17 single T80 C16 H161 single T80 C16 H162 single T80 O17 C18 single T80 C18 O19 double T80 C18 C20 single T80 C20 C21 single T80 C20 H201 single T80 C20 H202 single T80 C21 C22 single T80 C21 H211 single T80 C21 H212 single T80 C22 C23 single T80 C22 H221 single T80 C22 H222 single T80 C23 C24 single T80 C23 H231 single T80 C23 H232 single T80 C24 C25 single T80 C24 H241 single T80 C24 H242 single T80 C25 C26 single T80 C25 H251 single T80 C25 H252 single T80 C26 C27 single T80 C26 H261 single T80 C26 H262 single T80 C27 C28 single T80 C27 H271 single T80 C27 H272 single T80 C28 C29 single T80 C28 H281 single T80 C28 H282 single T80 C29 C30 single T80 C29 H291 single T80 C29 H292 single T80 C30 C31 single T80 C30 H301 single T80 C30 H302 single T80 C31 C32 single T80 C31 H311 single T80 C31 H312 single T80 C32 C33 single T80 C32 H321 single T80 C32 H322 single T80 C33 C34 single T80 C33 H331 single T80 C33 H332 single T80 C34 C35 single T80 C34 H341 single T80 C34 H342 single T80 C35 C36 single T80 C35 H351 single T80 C35 H352 single T80 C36 H361 single T80 C36 H362 single T80 C36 H363 single