# 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 MSA MSA '(2-S-METHYL) SARCOSINE ' non-polymer 17 8 M # data_comp_MSA # 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 MSA N N . 0.000 MSA CA C . 0.000 MSA C C . 0.000 MSA O O . 0.000 MSA OXT O . 0.000 MSA CN C . 0.000 MSA SB S . 0.000 MSA CG C . 0.000 MSA HN H . 0.000 MSA HA H . 0.000 MSA HXT H . 0.000 MSA HN1 H . 0.000 MSA HN2 H . 0.000 MSA HN3 H . 0.000 MSA HG1 H . 0.000 MSA HG2 H . 0.000 MSA HG3 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 MSA N CA single MSA N CN single MSA N HN single MSA CA C single MSA CA SB single MSA CA HA single MSA C O double MSA C OXT single MSA OXT HXT single MSA CN HN1 single MSA CN HN2 single MSA CN HN3 single MSA SB CG single MSA CG HG1 single MSA CG HG2 single MSA CG HG3 single