# 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 CMS CMS 'CARBAMOYL SARCOSINE ' non-polymer 17 9 M # data_comp_CMS # 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 CMS C1 C . 0.000 CMS C2 C . 0.000 CMS C3 C . 0.000 CMS C4 C . 0.000 CMS N1 N . 0.000 CMS N3 N . 0.000 CMS O1 O . 0.000 CMS O2 O . 0.000 CMS O3 O . 0.000 CMS H21 H . 0.000 CMS H22 H . 0.000 CMS H23 H . 0.000 CMS H31 H . 0.000 CMS H32 H . 0.000 CMS HN11 H . 0.000 CMS HN12 H . 0.000 CMS HO2 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 CMS C1 N1 single CMS C1 N3 single CMS C1 O3 double CMS C2 N3 single CMS C2 H21 single CMS C2 H22 single CMS C2 H23 single CMS C3 N3 single CMS C3 C4 single CMS C3 H31 single CMS C3 H32 single CMS C4 O1 double CMS C4 O2 single CMS N1 HN11 single CMS N1 HN12 single CMS O2 HO2 single