#
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
MLY      MLY 'N-DIMETHYL-LYSINE                   ' non-polymer        30  12 M
#
data_comp_MLY
#
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
 MLY           N      N    .         0.000
 MLY           CA     C    .         0.000
 MLY           CB     C    .         0.000
 MLY           CG     C    .         0.000
 MLY           CD     C    .         0.000
 MLY           CE     C    .         0.000
 MLY           NZ     N    .         0.000
 MLY           CH1    C    .         0.000
 MLY           CH2    C    .         0.000
 MLY           C      C    .         0.000
 MLY           O      O    .         0.000
 MLY           OXT    O    .         0.000
 MLY           HN1    H    .         0.000
 MLY           HN2    H    .         0.000
 MLY           HA     H    .         0.000
 MLY           HB1    H    .         0.000
 MLY           HB2    H    .         0.000
 MLY           HG1    H    .         0.000
 MLY           HG2    H    .         0.000
 MLY           HD1    H    .         0.000
 MLY           HD2    H    .         0.000
 MLY           HE1    H    .         0.000
 MLY           HE2    H    .         0.000
 MLY           HC11   H    .         0.000
 MLY           HC12   H    .         0.000
 MLY           HC13   H    .         0.000
 MLY           HC21   H    .         0.000
 MLY           HC22   H    .         0.000
 MLY           HC23   H    .         0.000
 MLY           HXT    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
 MLY        N      CA        single
 MLY        N      HN1       single
 MLY        N      HN2       single
 MLY        CA     CB        single
 MLY        CA     C         single
 MLY        CA     HA        single
 MLY        CB     CG        single
 MLY        CB     HB1       single
 MLY        CB     HB2       single
 MLY        CG     CD        single
 MLY        CG     HG1       single
 MLY        CG     HG2       single
 MLY        CD     CE        single
 MLY        CD     HD1       single
 MLY        CD     HD2       single
 MLY        CE     NZ        single
 MLY        CE     HE1       single
 MLY        CE     HE2       single
 MLY        NZ     CH1       single
 MLY        NZ     CH2       single
 MLY        CH1    HC11      single
 MLY        CH1    HC12      single
 MLY        CH1    HC13      single
 MLY        CH2    HC21      single
 MLY        CH2    HC22      single
 MLY        CH2    HC23      single
 MLY        C      O         double
 MLY        C      OXT       single
 MLY        OXT    HXT       single