# 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 HXC HXC 'HEXANOYL-COENZYME A ' non-polymer 101 55 M # data_comp_HXC # 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 HXC C2 C . 0.000 HXC C4 C . 0.000 HXC C5 C . 0.000 HXC C6 C . 0.000 HXC C8 C . 0.000 HXC N9 N . 0.000 HXC N7 N . 0.000 HXC N3 N . 0.000 HXC N1 N . 0.000 HXC N6 N . 0.000 HXC 'C1'' C . 0.000 HXC 'C2'' C . 0.000 HXC 'O2'' O . 0.000 HXC 'C3'' C . 0.000 HXC 'O3'' O . 0.000 HXC 'C4'' C . 0.000 HXC 'O4'' O . 0.000 HXC 'C5'' C . 0.000 HXC 'O5'' O . 0.000 HXC P1 P . 0.000 HXC O11 O . 0.000 HXC O12 O . 0.000 HXC O6 O . 0.000 HXC P2 P . 0.000 HXC O21 O . 0.000 HXC O22 O . 0.000 HXC O7 O . 0.000 HXC CPB C . 0.000 HXC CPA C . 0.000 HXC CP7 C . 0.000 HXC CP9 C . 0.000 HXC CP8 C . 0.000 HXC OP3 O . 0.000 HXC CP6 C . 0.000 HXC OP2 O . 0.000 HXC NP2 N . 0.000 HXC CP5 C . 0.000 HXC CP4 C . 0.000 HXC CP3 C . 0.000 HXC OP1 O . 0.000 HXC NP1 N . 0.000 HXC CP2 C . 0.000 HXC CP1 C . 0.000 HXC S S . 0.000 HXC P3 P . 0.000 HXC O31 O . 0.000 HXC O32 O . 0.000 HXC O33 O . 0.000 HXC CM1 C . 0.000 HXC CM2 C . 0.000 HXC CM3 C . 0.000 HXC OM2 O . 0.000 HXC CM4 C . 0.000 HXC CM5 C . 0.000 HXC CM6 C . 0.000 HXC H2 H . 0.000 HXC HN61 H . 0.000 HXC HN62 H . 0.000 HXC H8 H . 0.000 HXC 'H1'' H . 0.000 HXC 'H2'' H . 0.000 HXC HO2 H . 0.000 HXC 'H3'' H . 0.000 HXC 'H4'' H . 0.000 HXC 'H5'1' H . 0.000 HXC 'H5'2' H . 0.000 HXC H12 H . 0.000 HXC H22 H . 0.000 HXC H31 H . 0.000 HXC H32 H . 0.000 HXC HPB1 H . 0.000 HXC HPB2 H . 0.000 HXC HP7 H . 0.000 HXC HP81 H . 0.000 HXC HP82 H . 0.000 HXC HP83 H . 0.000 HXC HP91 H . 0.000 HXC HP92 H . 0.000 HXC HP93 H . 0.000 HXC HP3 H . 0.000 HXC HP2 H . 0.000 HXC HP51 H . 0.000 HXC HP52 H . 0.000 HXC HP41 H . 0.000 HXC HP42 H . 0.000 HXC HP1 H . 0.000 HXC HP21 H . 0.000 HXC HP22 H . 0.000 HXC HP11 H . 0.000 HXC HP12 H . 0.000 HXC HM21 H . 0.000 HXC HM22 H . 0.000 HXC HM31 H . 0.000 HXC HM32 H . 0.000 HXC HM41 H . 0.000 HXC HM42 H . 0.000 HXC HM51 H . 0.000 HXC HM52 H . 0.000 HXC HM61 H . 0.000 HXC HM62 H . 0.000 HXC HM63 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 HXC C2 N3 double HXC C2 N1 single HXC C2 H2 single HXC C4 C5 double HXC C4 N9 single HXC C4 N3 single HXC C5 C6 single HXC C5 N7 single HXC C6 N1 double HXC C6 N6 single HXC C8 N9 single HXC C8 N7 double HXC C8 H8 single HXC N9 'C1'' single HXC N6 HN61 single HXC N6 HN62 single HXC 'C1'' 'C2'' single HXC 'C1'' 'O4'' single HXC 'C1'' 'H1'' single HXC 'C2'' 'O2'' single HXC 'C2'' 'C3'' single HXC 'C2'' 'H2'' single HXC 'O2'' HO2 single HXC 'C3'' 'O3'' single HXC 'C3'' 'C4'' single HXC 'C3'' 'H3'' single HXC 'O3'' P3 single HXC 'C4'' 'O4'' single HXC 'C4'' 'C5'' single HXC 'C4'' 'H4'' single HXC 'C5'' 'O5'' single HXC 'C5'' 'H5'1' single HXC 'C5'' 'H5'2' single HXC 'O5'' P1 single HXC P1 O11 double HXC P1 O12 single HXC P1 O6 single HXC O12 H12 single HXC O6 P2 single HXC P2 O21 double HXC P2 O22 single HXC P2 O7 single HXC O22 H22 single HXC O7 CPB single HXC CPB CPA single HXC CPB HPB1 single HXC CPB HPB2 single HXC CPA CP7 single HXC CPA CP9 single HXC CPA CP8 single HXC CP7 OP3 single HXC CP7 CP6 single HXC CP7 HP7 single HXC CP9 HP91 single HXC CP9 HP92 single HXC CP9 HP93 single HXC CP8 HP81 single HXC CP8 HP82 single HXC CP8 HP83 single HXC OP3 HP3 single HXC CP6 OP2 double HXC CP6 NP2 single HXC NP2 CP5 single HXC NP2 HP2 single HXC CP5 CP4 single HXC CP5 HP51 single HXC CP5 HP52 single HXC CP4 CP3 single HXC CP4 HP41 single HXC CP4 HP42 single HXC CP3 OP1 double HXC CP3 NP1 single HXC NP1 CP2 single HXC NP1 HP1 single HXC CP2 CP1 single HXC CP2 HP21 single HXC CP2 HP22 single HXC CP1 S single HXC CP1 HP11 single HXC CP1 HP12 single HXC S CM1 single HXC P3 O31 single HXC P3 O32 single HXC P3 O33 double HXC O31 H31 single HXC O32 H32 single HXC CM1 CM2 single HXC CM1 OM2 double HXC CM2 CM3 single HXC CM2 HM21 single HXC CM2 HM22 single HXC CM3 CM4 single HXC CM3 HM31 single HXC CM3 HM32 single HXC CM4 CM5 single HXC CM4 HM41 single HXC CM4 HM42 single HXC CM5 CM6 single HXC CM5 HM51 single HXC CM5 HM52 single HXC CM6 HM61 single HXC CM6 HM62 single HXC CM6 HM63 single