#
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
AMU      AMU 'N-ACETYLMURAMIC ACID                ' non-polymer        39  20 M
#
data_comp_AMU
#
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
 AMU           C1     C    .         0.000
 AMU           C2     C    .         0.000
 AMU           C3     C    .         0.000
 AMU           C4     C    .         0.000
 AMU           C5     C    .         0.000
 AMU           C6     C    .         0.000
 AMU           C7     C    .         0.000
 AMU           C8     C    .         0.000
 AMU           C9     C    .         0.000
 AMU           C10    C    .         0.000
 AMU           C11    C    .         0.000
 AMU           O1     O    .         0.000
 AMU           O3     O    .         0.000
 AMU           O4     O    .         0.000
 AMU           O5     O    .         0.000
 AMU           O6     O    .         0.000
 AMU           O7     O    .         0.000
 AMU           O10    O    .         0.000
 AMU           O11    O    .         0.000
 AMU           N2     N    .         0.000
 AMU           H1     H    .         0.000
 AMU           H2     H    .         0.000
 AMU           H3     H    .         0.000
 AMU           H4     H    .         0.000
 AMU           H5     H    .         0.000
 AMU           H61    H    .         0.000
 AMU           H62    H    .         0.000
 AMU           H81    H    .         0.000
 AMU           H82    H    .         0.000
 AMU           H83    H    .         0.000
 AMU           H9     H    .         0.000
 AMU           H111   H    .         0.000
 AMU           H112   H    .         0.000
 AMU           H113   H    .         0.000
 AMU           HO1    H    .         0.000
 AMU           HO4    H    .         0.000
 AMU           HO6    H    .         0.000
 AMU           HO11   H    .         0.000
 AMU           HN2    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
 AMU        C1     C2        single
 AMU        C1     O1        single
 AMU        C1     O5        single
 AMU        C1     H1        single
 AMU        C2     C3        single
 AMU        C2     N2        single
 AMU        C2     H2        single
 AMU        C3     C4        single
 AMU        C3     O3        single
 AMU        C3     H3        single
 AMU        C4     C5        single
 AMU        C4     O4        single
 AMU        C4     H4        single
 AMU        C5     C6        single
 AMU        C5     O5        single
 AMU        C5     H5        single
 AMU        C6     O6        single
 AMU        C6     H61       single
 AMU        C6     H62       single
 AMU        C7     C8        single
 AMU        C7     O7        double
 AMU        C7     N2        single
 AMU        C8     H81       single
 AMU        C8     H82       single
 AMU        C8     H83       single
 AMU        C9     C10       single
 AMU        C9     C11       single
 AMU        C9     O3        single
 AMU        C9     H9        single
 AMU        C10    O10       double
 AMU        C10    O11       single
 AMU        C11    H111      single
 AMU        C11    H112      single
 AMU        C11    H113      single
 AMU        O1     HO1       single
 AMU        O4     HO4       single
 AMU        O6     HO6       single
 AMU        O11    HO11      single
 AMU        N2     HN2       single