#
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
ALG      ALG 'GUANIDINOBUTYRYL GROUP              ' non-polymer        19   9 M
#
data_comp_ALG
#
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
 ALG           C      C    .         0.000
 ALG           O      O    .         0.000
 ALG           CA     C    .         0.000
 ALG           CB     C    .         0.000
 ALG           CD     C    .         0.000
 ALG           NE     N    .         0.000
 ALG           CZ     C    .         0.000
 ALG           NH1    N    .         0.000
 ALG           NH2    N    .         0.000
 ALG           HA1    H    .         0.000
 ALG           HA2    H    .         0.000
 ALG           HB1    H    .         0.000
 ALG           HB2    H    .         0.000
 ALG           HD1    H    .         0.000
 ALG           HD2    H    .         0.000
 ALG           HNE    H    .         0.000
 ALG           HH1    H    .         0.000
 ALG           HH21   H    .         0.000
 ALG           HH22   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
 ALG        C      CA        single
 ALG        C      O         double
 ALG        CA     CB        single
 ALG        CA     HA1       single
 ALG        CA     HA2       single
 ALG        CB     CD        single
 ALG        CB     HB1       single
 ALG        CB     HB2       single
 ALG        CD     NE        single
 ALG        CD     HD1       single
 ALG        CD     HD2       single
 ALG        NE     CZ        single
 ALG        NE     HNE       single
 ALG        CZ     NH1       double
 ALG        CZ     NH2       single
 ALG        NH1    HH1       single
 ALG        NH2    HH21      single
 ALG        NH2    HH22      single