# 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 GLE GLE '1-DECYL-3-TRIFLUORO ETHYL-SN-GLYCERO' non-polymer 58 26 M # data_comp_GLE # 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 GLE C1 C . 0.000 GLE O1 O . 0.000 GLE C2 C . 0.000 GLE O2 O . 0.000 GLE C3 C . 0.000 GLE O3 O . 0.000 GLE C31 C . 0.000 GLE C32 C . 0.000 GLE F31 F . 0.000 GLE F32 F . 0.000 GLE F33 F . 0.000 GLE P2 P . 0.000 GLE O21 O . 0.000 GLE O22 O . 0.000 GLE C2P C . 0.000 GLE O23 O . 0.000 GLE C11 C . 0.000 GLE C12 C . 0.000 GLE C13 C . 0.000 GLE C14 C . 0.000 GLE C15 C . 0.000 GLE C16 C . 0.000 GLE C17 C . 0.000 GLE C18 C . 0.000 GLE C19 C . 0.000 GLE C20 C . 0.000 GLE H11 H . 0.000 GLE H12 H . 0.000 GLE H2 H . 0.000 GLE H31 H . 0.000 GLE H32 H . 0.000 GLE H311 H . 0.000 GLE H312 H . 0.000 GLE HO2 H . 0.000 GLE H2P1 H . 0.000 GLE H2P2 H . 0.000 GLE H2P3 H . 0.000 GLE H111 H . 0.000 GLE H112 H . 0.000 GLE H121 H . 0.000 GLE H122 H . 0.000 GLE H131 H . 0.000 GLE H132 H . 0.000 GLE H141 H . 0.000 GLE H142 H . 0.000 GLE H151 H . 0.000 GLE H152 H . 0.000 GLE H161 H . 0.000 GLE H162 H . 0.000 GLE H171 H . 0.000 GLE H172 H . 0.000 GLE H181 H . 0.000 GLE H182 H . 0.000 GLE H191 H . 0.000 GLE H192 H . 0.000 GLE H201 H . 0.000 GLE H202 H . 0.000 GLE H203 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 GLE C1 O1 single GLE C1 C2 single GLE C1 H11 single GLE C1 H12 single GLE O1 C11 single GLE C2 O2 single GLE C2 C3 single GLE C2 H2 single GLE O2 P2 single GLE C3 O3 single GLE C3 H31 single GLE C3 H32 single GLE O3 C31 single GLE C31 C32 single GLE C31 H311 single GLE C31 H312 single GLE C32 F32 single GLE C32 F31 single GLE C32 F33 single GLE P2 O22 single GLE P2 O23 single GLE P2 O21 double GLE O22 HO2 single GLE C2P O23 single GLE C2P H2P1 single GLE C2P H2P2 single GLE C2P H2P3 single GLE C11 C12 single GLE C11 H111 single GLE C11 H112 single GLE C12 C13 single GLE C12 H121 single GLE C12 H122 single GLE C13 C14 single GLE C13 H131 single GLE C13 H132 single GLE C14 C15 single GLE C14 H141 single GLE C14 H142 single GLE C15 C16 single GLE C15 H151 single GLE C15 H152 single GLE C16 C17 single GLE C16 H161 single GLE C16 H162 single GLE C17 C18 single GLE C17 H171 single GLE C17 H172 single GLE C18 C19 single GLE C18 H181 single GLE C18 H182 single GLE C19 C20 single GLE C19 H191 single GLE C19 H192 single GLE C20 H201 single GLE C20 H202 single GLE C20 H203 single