#
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