# 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 COF COF 'TRIFLUOROACETONYL COENZYME A ' non-polymer 92 55 M # data_comp_COF # 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 COF AN1 N . 0.000 COF AC2 C . 0.000 COF AN3 N . 0.000 COF AC4 C . 0.000 COF AC5 C . 0.000 COF AC6 C . 0.000 COF AN6 N . 0.000 COF AN7 N . 0.000 COF AC8 C . 0.000 COF AN9 N . 0.000 COF AC1* C . 0.000 COF AC2* C . 0.000 COF AO2* O . 0.000 COF AC3* C . 0.000 COF AO3* O . 0.000 COF AP3* P . 0.000 COF AO7 O . 0.000 COF AO8 O . 0.000 COF AO9 O . 0.000 COF AC4* C . 0.000 COF AO4* O . 0.000 COF AC5* C . 0.000 COF AO5* O . 0.000 COF AP1 P . 0.000 COF AO1 O . 0.000 COF AO2 O . 0.000 COF AO3 O . 0.000 COF AP2 P . 0.000 COF AO4 O . 0.000 COF AO5 O . 0.000 COF AO6 O . 0.000 COF PC11 C . 0.000 COF PC12 C . 0.000 COF PC13 C . 0.000 COF PC14 C . 0.000 COF PC10 C . 0.000 COF PO10 O . 0.000 COF PC9 C . 0.000 COF PO9 O . 0.000 COF PN8 N . 0.000 COF PC7 C . 0.000 COF PC6 C . 0.000 COF PC5 C . 0.000 COF PO5 O . 0.000 COF PN4 N . 0.000 COF PC3 C . 0.000 COF PC2 C . 0.000 COF PS1 S . 0.000 COF IC1 C . 0.000 COF IC2 C . 0.000 COF IO1 O . 0.000 COF IC3 C . 0.000 COF IF1 F . 0.000 COF IF2 F . 0.000 COF IF3 F . 0.000 COF AH2 H . 0.000 COF AH61 H . 0.000 COF AH62 H . 0.000 COF AH8 H . 0.000 COF AH1* H . 0.000 COF AH2* H . 0.000 COF AHO2 H . 0.000 COF AH3* H . 0.000 COF HOA8 H . 0.000 COF HOA9 H . 0.000 COF AH4* H . 0.000 COF AH51 H . 0.000 COF AH52 H . 0.000 COF HOA2 H . 0.000 COF HOA5 H . 0.000 COF H121 H . 0.000 COF H122 H . 0.000 COF H131 H . 0.000 COF H132 H . 0.000 COF H133 H . 0.000 COF H141 H . 0.000 COF H142 H . 0.000 COF H143 H . 0.000 COF H10 H . 0.000 COF HO1 H . 0.000 COF HN8 H . 0.000 COF H71 H . 0.000 COF H72 H . 0.000 COF H61 H . 0.000 COF H62 H . 0.000 COF HN4 H . 0.000 COF H31 H . 0.000 COF H32 H . 0.000 COF H21 H . 0.000 COF H22 H . 0.000 COF HI11 H . 0.000 COF HI12 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 COF AN1 AC2 single COF AN1 AC6 double COF AC2 AN3 double COF AC2 AH2 single COF AN3 AC4 single COF AC4 AC5 double COF AC4 AN9 single COF AC5 AC6 single COF AC5 AN7 single COF AC6 AN6 single COF AN6 AH61 single COF AN6 AH62 single COF AN7 AC8 double COF AC8 AN9 single COF AC8 AH8 single COF AN9 AC1* single COF AC1* AC2* single COF AC1* AO4* single COF AC1* AH1* single COF AC2* AC3* single COF AC2* AO2* single COF AC2* AH2* single COF AO2* AHO2 single COF AC3* AC4* single COF AC3* AO3* single COF AC3* AH3* single COF AO3* AP3* single COF AP3* AO7 double COF AP3* AO8 single COF AP3* AO9 single COF AO8 HOA8 single COF AO9 HOA9 single COF AC4* AC5* single COF AC4* AO4* single COF AC4* AH4* single COF AC5* AO5* single COF AC5* AH51 single COF AC5* AH52 single COF AO5* AP1 single COF AP1 AO1 double COF AP1 AO2 single COF AP1 AO3 single COF AO2 HOA2 single COF AO3 AP2 single COF AP2 AO4 double COF AP2 AO5 single COF AP2 AO6 single COF AO5 HOA5 single COF AO6 PC12 single COF PC11 PC10 single COF PC11 PC12 single COF PC11 PC13 single COF PC11 PC14 single COF PC12 H121 single COF PC12 H122 single COF PC13 H131 single COF PC13 H132 single COF PC13 H133 single COF PC14 H141 single COF PC14 H142 single COF PC14 H143 single COF PC10 PC9 single COF PC10 PO10 single COF PC10 H10 single COF PO10 HO1 single COF PC9 PO9 double COF PC9 PN8 single COF PN8 PC7 single COF PN8 HN8 single COF PC7 PC6 single COF PC7 H71 single COF PC7 H72 single COF PC6 PC5 single COF PC6 H61 single COF PC6 H62 single COF PC5 PN4 single COF PC5 PO5 double COF PN4 PC3 single COF PN4 HN4 single COF PC3 PC2 single COF PC3 H31 single COF PC3 H32 single COF PC2 PS1 single COF PC2 H21 single COF PC2 H22 single COF PS1 IC1 single COF IC1 IC2 single COF IC1 HI11 single COF IC1 HI12 single COF IC2 IC3 single COF IC2 IO1 double COF IC3 IF1 single COF IC3 IF2 single COF IC3 IF3 single