# 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 2CP 2CP '2-CARBOXYPROPYL-COENZYME A ' non-polymer 96 54 M # data_comp_2CP # 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 2CP C8 C . 0.000 2CP N9 N . 0.000 2CP C4 C . 0.000 2CP C5 C . 0.000 2CP N7 N . 0.000 2CP N3 N . 0.000 2CP C2 C . 0.000 2CP N1 N . 0.000 2CP C6 C . 0.000 2CP N6 N . 0.000 2CP 'C1'' C . 0.000 2CP 'C2'' C . 0.000 2CP 'O2'' O . 0.000 2CP 'C3'' C . 0.000 2CP 'O3'' O . 0.000 2CP 'C4'' C . 0.000 2CP 'O4'' O . 0.000 2CP 'C5'' C . 0.000 2CP 'O5'' O . 0.000 2CP P1 P . 0.000 2CP O11 O . 0.000 2CP O12 O . 0.000 2CP O6 O . 0.000 2CP P2 P . 0.000 2CP O21 O . 0.000 2CP O22 O . 0.000 2CP O7 O . 0.000 2CP CPB C . 0.000 2CP CPA C . 0.000 2CP CP7 C . 0.000 2CP CP9 C . 0.000 2CP CP8 C . 0.000 2CP OP3 O . 0.000 2CP CP6 C . 0.000 2CP OP2 O . 0.000 2CP NP2 N . 0.000 2CP CP5 C . 0.000 2CP CP4 C . 0.000 2CP CP3 C . 0.000 2CP OP1 O . 0.000 2CP NP1 N . 0.000 2CP CP2 C . 0.000 2CP CP1 C . 0.000 2CP P3 P . 0.000 2CP O31 O . 0.000 2CP O32 O . 0.000 2CP O33 O . 0.000 2CP S S . 0.000 2CP CS1 C . 0.000 2CP CS2 C . 0.000 2CP CS3 C . 0.000 2CP CS4 C . 0.000 2CP OS4 O . 0.000 2CP OS5 O . 0.000 2CP H8 H . 0.000 2CP H2 H . 0.000 2CP H61 H . 0.000 2CP H62 H . 0.000 2CP 'H1'' H . 0.000 2CP 'H2'' H . 0.000 2CP 'HO'2' H . 0.000 2CP 'H3'' H . 0.000 2CP 'H4'' H . 0.000 2CP 'H5'1' H . 0.000 2CP 'H5'2' H . 0.000 2CP H12 H . 0.000 2CP H22 H . 0.000 2CP HB1 H . 0.000 2CP HB2 H . 0.000 2CP HP7 H . 0.000 2CP HP91 H . 0.000 2CP HP92 H . 0.000 2CP HP93 H . 0.000 2CP HP81 H . 0.000 2CP HP82 H . 0.000 2CP HP83 H . 0.000 2CP HOP3 H . 0.000 2CP HN2 H . 0.000 2CP HP51 H . 0.000 2CP HP52 H . 0.000 2CP HP41 H . 0.000 2CP HP42 H . 0.000 2CP HN1 H . 0.000 2CP HP21 H . 0.000 2CP HP22 H . 0.000 2CP HP11 H . 0.000 2CP HP12 H . 0.000 2CP H32 H . 0.000 2CP H33 H . 0.000 2CP HS11 H . 0.000 2CP HS12 H . 0.000 2CP HS2 H . 0.000 2CP HS31 H . 0.000 2CP HS32 H . 0.000 2CP HS33 H . 0.000 2CP HOS5 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 2CP C8 N9 single 2CP C8 N7 double 2CP C8 H8 single 2CP N9 C4 single 2CP N9 'C1'' single 2CP C4 C5 single 2CP C4 N3 double 2CP C5 N7 single 2CP C5 C6 double 2CP N3 C2 single 2CP C2 N1 double 2CP C2 H2 single 2CP N1 C6 single 2CP C6 N6 single 2CP N6 H61 single 2CP N6 H62 single 2CP 'C1'' 'C2'' single 2CP 'C1'' 'O4'' single 2CP 'C1'' 'H1'' single 2CP 'C2'' 'O2'' single 2CP 'C2'' 'C3'' single 2CP 'C2'' 'H2'' single 2CP 'O2'' 'HO'2' single 2CP 'C3'' 'O3'' single 2CP 'C3'' 'C4'' single 2CP 'C3'' 'H3'' single 2CP 'O3'' P3 single 2CP 'C4'' 'O4'' single 2CP 'C4'' 'C5'' single 2CP 'C4'' 'H4'' single 2CP 'C5'' 'O5'' single 2CP 'C5'' 'H5'1' single 2CP 'C5'' 'H5'2' single 2CP 'O5'' P1 single 2CP P1 O11 double 2CP P1 O12 single 2CP P1 O6 single 2CP O12 H12 single 2CP O6 P2 single 2CP P2 O21 double 2CP P2 O22 single 2CP P2 O7 single 2CP O22 H22 single 2CP O7 CPB single 2CP CPB CPA single 2CP CPB HB1 single 2CP CPB HB2 single 2CP CPA CP7 single 2CP CPA CP9 single 2CP CPA CP8 single 2CP CP7 OP3 single 2CP CP7 CP6 single 2CP CP7 HP7 single 2CP CP9 HP91 single 2CP CP9 HP92 single 2CP CP9 HP93 single 2CP CP8 HP81 single 2CP CP8 HP82 single 2CP CP8 HP83 single 2CP OP3 HOP3 single 2CP CP6 OP2 double 2CP CP6 NP2 single 2CP NP2 CP5 single 2CP NP2 HN2 single 2CP CP5 CP4 single 2CP CP5 HP51 single 2CP CP5 HP52 single 2CP CP4 CP3 single 2CP CP4 HP41 single 2CP CP4 HP42 single 2CP CP3 OP1 double 2CP CP3 NP1 single 2CP NP1 CP2 single 2CP NP1 HN1 single 2CP CP2 CP1 single 2CP CP2 HP21 single 2CP CP2 HP22 single 2CP CP1 S single 2CP CP1 HP11 single 2CP CP1 HP12 single 2CP P3 O31 double 2CP P3 O32 single 2CP P3 O33 single 2CP O32 H32 single 2CP O33 H33 single 2CP S CS1 single 2CP CS1 CS2 single 2CP CS1 HS11 single 2CP CS1 HS12 single 2CP CS2 CS3 single 2CP CS2 CS4 single 2CP CS2 HS2 single 2CP CS3 HS31 single 2CP CS3 HS32 single 2CP CS3 HS33 single 2CP CS4 OS4 double 2CP CS4 OS5 single 2CP OS5 HOS5 single