# 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 MLC MLC 'MALONYL-COENZYME A ' non-polymer 92 54 M # data_comp_MLC # 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 MLC C8 C . 0.000 MLC N9 N . 0.000 MLC C4 C . 0.000 MLC C5 C . 0.000 MLC N7 N . 0.000 MLC N3 N . 0.000 MLC C2 C . 0.000 MLC N1 N . 0.000 MLC C6 C . 0.000 MLC N6 N . 0.000 MLC 'C1'' C . 0.000 MLC 'C2'' C . 0.000 MLC 'O2'' O . 0.000 MLC 'C3'' C . 0.000 MLC 'O3'' O . 0.000 MLC 'C4'' C . 0.000 MLC 'O4'' O . 0.000 MLC 'C5'' C . 0.000 MLC 'O5'' O . 0.000 MLC P1 P . 0.000 MLC O11 O . 0.000 MLC O12 O . 0.000 MLC O6 O . 0.000 MLC P2 P . 0.000 MLC O21 O . 0.000 MLC O22 O . 0.000 MLC O7 O . 0.000 MLC CPB C . 0.000 MLC CPA C . 0.000 MLC CP7 C . 0.000 MLC CP9 C . 0.000 MLC CP8 C . 0.000 MLC OP3 O . 0.000 MLC CP6 C . 0.000 MLC OP2 O . 0.000 MLC NP2 N . 0.000 MLC CP5 C . 0.000 MLC CP4 C . 0.000 MLC CP3 C . 0.000 MLC OP1 O . 0.000 MLC NP1 N . 0.000 MLC CP2 C . 0.000 MLC CP1 C . 0.000 MLC S S . 0.000 MLC P3 P . 0.000 MLC O31 O . 0.000 MLC O32 O . 0.000 MLC O33 O . 0.000 MLC CM1 C . 0.000 MLC CM2 C . 0.000 MLC CM3 C . 0.000 MLC OM2 O . 0.000 MLC OM3 O . 0.000 MLC OM4 O . 0.000 MLC H2 H . 0.000 MLC HN61 H . 0.000 MLC HN62 H . 0.000 MLC H8 H . 0.000 MLC 'H1'' H . 0.000 MLC 'H2'' H . 0.000 MLC HO2 H . 0.000 MLC 'H3'' H . 0.000 MLC 'H4'' H . 0.000 MLC 'H5'1' H . 0.000 MLC 'H5'2' H . 0.000 MLC H12 H . 0.000 MLC H22 H . 0.000 MLC H31 H . 0.000 MLC H32 H . 0.000 MLC HPB1 H . 0.000 MLC HPB2 H . 0.000 MLC HP81 H . 0.000 MLC HP82 H . 0.000 MLC HP83 H . 0.000 MLC HP91 H . 0.000 MLC HP92 H . 0.000 MLC HP93 H . 0.000 MLC HP7 H . 0.000 MLC HP3 H . 0.000 MLC HP2 H . 0.000 MLC HP51 H . 0.000 MLC HP52 H . 0.000 MLC HP41 H . 0.000 MLC HP42 H . 0.000 MLC HP1 H . 0.000 MLC HP21 H . 0.000 MLC HP22 H . 0.000 MLC HP11 H . 0.000 MLC HP12 H . 0.000 MLC HM21 H . 0.000 MLC HM22 H . 0.000 MLC HO3 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 MLC C8 N9 single MLC C8 N7 double MLC C8 H8 single MLC N9 C4 single MLC N9 'C1'' single MLC C4 C5 single MLC C4 N3 double MLC C5 N7 single MLC C5 C6 double MLC N3 C2 single MLC C2 N1 double MLC C2 H2 single MLC N1 C6 single MLC C6 N6 single MLC N6 HN61 single MLC N6 HN62 single MLC 'C1'' 'C2'' single MLC 'C1'' 'O4'' single MLC 'C1'' 'H1'' single MLC 'C2'' 'O2'' single MLC 'C2'' 'C3'' single MLC 'C2'' 'H2'' single MLC 'O2'' HO2 single MLC 'C3'' 'O3'' single MLC 'C3'' 'C4'' single MLC 'C3'' 'H3'' single MLC 'O3'' P3 single MLC 'C4'' 'O4'' single MLC 'C4'' 'C5'' single MLC 'C4'' 'H4'' single MLC 'C5'' 'O5'' single MLC 'C5'' 'H5'1' single MLC 'C5'' 'H5'2' single MLC 'O5'' P1 single MLC P1 O11 double MLC P1 O12 single MLC P1 O6 single MLC O12 H12 single MLC O6 P2 single MLC P2 O21 double MLC P2 O22 single MLC P2 O7 single MLC O22 H22 single MLC O7 CPB single MLC CPB CPA single MLC CPB HPB1 single MLC CPB HPB2 single MLC CPA CP7 single MLC CPA CP9 single MLC CPA CP8 single MLC CP7 OP3 single MLC CP7 CP6 single MLC CP7 HP7 single MLC CP9 HP91 single MLC CP9 HP92 single MLC CP9 HP93 single MLC CP8 HP81 single MLC CP8 HP82 single MLC CP8 HP83 single MLC OP3 HP3 single MLC CP6 OP2 double MLC CP6 NP2 single MLC NP2 CP5 single MLC NP2 HP2 single MLC CP5 CP4 single MLC CP5 HP51 single MLC CP5 HP52 single MLC CP4 CP3 single MLC CP4 HP41 single MLC CP4 HP42 single MLC CP3 OP1 double MLC CP3 NP1 single MLC NP1 CP2 single MLC NP1 HP1 single MLC CP2 CP1 single MLC CP2 HP21 single MLC CP2 HP22 single MLC CP1 S single MLC CP1 HP11 single MLC CP1 HP12 single MLC S CM1 single MLC P3 O31 single MLC P3 O32 single MLC P3 O33 double MLC O31 H31 single MLC O32 H32 single MLC CM1 CM2 single MLC CM1 OM2 double MLC CM2 CM3 single MLC CM2 HM21 single MLC CM2 HM22 single MLC CM3 OM3 single MLC CM3 OM4 double MLC OM3 HO3 single