# 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 NHM NHM 'S-(2-OXO)PENTADECYLCOA ' non-polymer 128 64 M # data_comp_NHM # 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 NHM N6A N . 0.000 NHM C6A C . 0.000 NHM N1A N . 0.000 NHM C2A C . 0.000 NHM N3A N . 0.000 NHM C4A C . 0.000 NHM C5A C . 0.000 NHM N9A N . 0.000 NHM N7A N . 0.000 NHM C8A C . 0.000 NHM CEM C . 0.000 NHM CAM C . 0.000 NHM CBM C . 0.000 NHM CCM C . 0.000 NHM CDM C . 0.000 NHM C9M C . 0.000 NHM C8M C . 0.000 NHM C7M C . 0.000 NHM C6M C . 0.000 NHM C2M C . 0.000 NHM C3M C . 0.000 NHM C4M C . 0.000 NHM C5M C . 0.000 NHM C1M C . 0.000 NHM O1M O . 0.000 NHM CP C . 0.000 NHM P3X P . 0.000 NHM O7A O . 0.000 NHM O8A O . 0.000 NHM O9A O . 0.000 NHM O3X O . 0.000 NHM S1 S . 0.000 NHM N4 N . 0.000 NHM C5 C . 0.000 NHM O5 O . 0.000 NHM C6 C . 0.000 NHM C7 C . 0.000 NHM N8 N . 0.000 NHM C9 C . 0.000 NHM O9 O . 0.000 NHM C13 C . 0.000 NHM C11 C . 0.000 NHM C14 C . 0.000 NHM C12 C . 0.000 NHM P1A P . 0.000 NHM O2A O . 0.000 NHM O1A O . 0.000 NHM O3A O . 0.000 NHM O5X O . 0.000 NHM C4X C . 0.000 NHM O4X O . 0.000 NHM C1X C . 0.000 NHM C2X C . 0.000 NHM O2X O . 0.000 NHM C3X C . 0.000 NHM C5X C . 0.000 NHM P2A P . 0.000 NHM O4A O . 0.000 NHM O5A O . 0.000 NHM O6A O . 0.000 NHM C10 C . 0.000 NHM O10 O . 0.000 NHM C3 C . 0.000 NHM C2 C . 0.000 NHM H2A H . 0.000 NHM HN61 H . 0.000 NHM HN62 H . 0.000 NHM H8A H . 0.000 NHM HEM1 H . 0.000 NHM HEM2 H . 0.000 NHM HEM3 H . 0.000 NHM HAM1 H . 0.000 NHM HAM2 H . 0.000 NHM HBM1 H . 0.000 NHM HBM2 H . 0.000 NHM HCM1 H . 0.000 NHM HCM2 H . 0.000 NHM HDM1 H . 0.000 NHM HDM2 H . 0.000 NHM H9M1 H . 0.000 NHM H9M2 H . 0.000 NHM H8M1 H . 0.000 NHM H8M2 H . 0.000 NHM H7M1 H . 0.000 NHM H7M2 H . 0.000 NHM H6M1 H . 0.000 NHM H6M2 H . 0.000 NHM H2M1 H . 0.000 NHM H2M2 H . 0.000 NHM H3M1 H . 0.000 NHM H3M2 H . 0.000 NHM H4M1 H . 0.000 NHM H4M2 H . 0.000 NHM H5M1 H . 0.000 NHM H5M2 H . 0.000 NHM HP1 H . 0.000 NHM HP2 H . 0.000 NHM AHO7 H . 0.000 NHM AHO8 H . 0.000 NHM HN4 H . 0.000 NHM H61 H . 0.000 NHM H62 H . 0.000 NHM H71 H . 0.000 NHM H72 H . 0.000 NHM HN8 H . 0.000 NHM H131 H . 0.000 NHM H132 H . 0.000 NHM H133 H . 0.000 NHM H141 H . 0.000 NHM H142 H . 0.000 NHM H143 H . 0.000 NHM H121 H . 0.000 NHM H122 H . 0.000 NHM AHO1 H . 0.000 NHM H4X H . 0.000 NHM H1X H . 0.000 NHM H2X H . 0.000 NHM XHO2 H . 0.000 NHM H3X H . 0.000 NHM H5X1 H . 0.000 NHM H5X2 H . 0.000 NHM AHO5 H . 0.000 NHM H10 H . 0.000 NHM HOA H . 0.000 NHM H31 H . 0.000 NHM H32 H . 0.000 NHM H21 H . 0.000 NHM H22 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 NHM N6A C6A single NHM N6A HN61 single NHM N6A HN62 single NHM C6A N1A double NHM C6A C5A single NHM N1A C2A single NHM C2A N3A double NHM C2A H2A single NHM N3A C4A single NHM C4A C5A double NHM C4A N9A single NHM C5A N7A single NHM N9A C8A single NHM N9A C1X single NHM N7A C8A double NHM C8A H8A single NHM CEM CDM single NHM CEM HEM1 single NHM CEM HEM2 single NHM CEM HEM3 single NHM CAM CBM single NHM CAM C9M single NHM CAM HAM1 single NHM CAM HAM2 single NHM CBM CCM single NHM CBM HBM1 single NHM CBM HBM2 single NHM CCM CDM single NHM CCM HCM1 single NHM CCM HCM2 single NHM CDM HDM1 single NHM CDM HDM2 single NHM C9M C8M single NHM C9M H9M1 single NHM C9M H9M2 single NHM C8M C7M single NHM C8M H8M1 single NHM C8M H8M2 single NHM C7M C6M single NHM C7M H7M1 single NHM C7M H7M2 single NHM C6M C5M single NHM C6M H6M1 single NHM C6M H6M2 single NHM C2M C3M single NHM C2M C1M single NHM C2M H2M1 single NHM C2M H2M2 single NHM C3M C4M single NHM C3M H3M1 single NHM C3M H3M2 single NHM C4M C5M single NHM C4M H4M1 single NHM C4M H4M2 single NHM C5M H5M1 single NHM C5M H5M2 single NHM C1M O1M double NHM C1M CP single NHM CP S1 single NHM CP HP1 single NHM CP HP2 single NHM P3X O7A single NHM P3X O8A single NHM P3X O9A double NHM P3X O3X single NHM O7A AHO7 single NHM O8A AHO8 single NHM O3X C3X single NHM S1 C2 single NHM N4 C5 single NHM N4 C3 single NHM N4 HN4 single NHM C5 O5 double NHM C5 C6 single NHM C6 C7 single NHM C6 H61 single NHM C6 H62 single NHM C7 N8 single NHM C7 H71 single NHM C7 H72 single NHM N8 C9 single NHM N8 HN8 single NHM C9 O9 double NHM C9 C10 single NHM C13 C11 single NHM C13 H131 single NHM C13 H132 single NHM C13 H133 single NHM C11 C14 single NHM C11 C12 single NHM C11 C10 single NHM C14 H141 single NHM C14 H142 single NHM C14 H143 single NHM C12 O6A single NHM C12 H121 single NHM C12 H122 single NHM P1A O2A double NHM P1A O1A single NHM P1A O3A single NHM P1A O5X single NHM O1A AHO1 single NHM O3A P2A single NHM O5X C5X single NHM C4X O4X single NHM C4X C3X single NHM C4X C5X single NHM C4X H4X single NHM O4X C1X single NHM C1X C2X single NHM C1X H1X single NHM C2X O2X single NHM C2X C3X single NHM C2X H2X single NHM O2X XHO2 single NHM C3X H3X single NHM C5X H5X1 single NHM C5X H5X2 single NHM P2A O4A double NHM P2A O5A single NHM P2A O6A single NHM O5A AHO5 single NHM C10 O10 single NHM C10 H10 single NHM O10 HOA single NHM C3 C2 single NHM C3 H31 single NHM C3 H32 single NHM C2 H21 single NHM C2 H22 single