#
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
ALN      ALN 'NAPHTHALEN-2-YL-3-ALANINE           ' non-polymer        29  16 M
#
data_comp_ALN
#
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
 ALN           N      N    .         0.000
 ALN           CA     C    .         0.000
 ALN           C      C    .         0.000
 ALN           O      O    .         0.000
 ALN           CB     C    .         0.000
 ALN           CG1    C    .         0.000
 ALN           CD1    C    .         0.000
 ALN           CE1    C    .         0.000
 ALN           CD2    C    .         0.000
 ALN           CE2    C    .         0.000
 ALN           CZ1    C    .         0.000
 ALN           CG2    C    .         0.000
 ALN           CD3    C    .         0.000
 ALN           CE3    C    .         0.000
 ALN           CZ2    C    .         0.000
 ALN           OXT    O    .         0.000
 ALN           HN1    H    .         0.000
 ALN           HN2    H    .         0.000
 ALN           HA     H    .         0.000
 ALN           HB1    H    .         0.000
 ALN           HB2    H    .         0.000
 ALN           HD1    H    .         0.000
 ALN           HE1    H    .         0.000
 ALN           HZ1    H    .         0.000
 ALN           HG2    H    .         0.000
 ALN           HD3    H    .         0.000
 ALN           HE3    H    .         0.000
 ALN           HZ2    H    .         0.000
 ALN           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
 ALN        N      CA        single
 ALN        N      HN1       single
 ALN        N      HN2       single
 ALN        CA     C         single
 ALN        CA     CB        single
 ALN        CA     HA        single
 ALN        C      O         double
 ALN        C      OXT       single
 ALN        CB     CG1       single
 ALN        CB     HB1       single
 ALN        CB     HB2       single
 ALN        CG1    CD1       double
 ALN        CG1    CD2       single
 ALN        CD1    CE1       single
 ALN        CD1    HD1       single
 ALN        CE1    CZ1       double
 ALN        CE1    HE1       single
 ALN        CD2    CE2       double
 ALN        CD2    CG2       single
 ALN        CE2    CZ1       single
 ALN        CE2    CZ2       single
 ALN        CZ1    HZ1       single
 ALN        CG2    CD3       double
 ALN        CG2    HG2       single
 ALN        CD3    CE3       single
 ALN        CD3    HD3       single
 ALN        CE3    CZ2       double
 ALN        CE3    HE3       single
 ALN        CZ2    HZ2       single
 ALN        OXT    HXT       single