#
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