#
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
ASL      ASL 'ASPARTIC ACID-4-CARBOXYETHYL ESTER  ' non-polymer        25  14 M
#
data_comp_ASL
#
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
 ASL           N      N    .         0.000
 ASL           CA     C    .         0.000
 ASL           C      C    .         0.000
 ASL           O      O    .         0.000
 ASL           CB     C    .         0.000
 ASL           CG     C    .         0.000
 ASL           OD1    O    .         0.000
 ASL           OD2    O    .         0.000
 ASL           C3     C    .         0.000
 ASL           C2     C    .         0.000
 ASL           C1     C    .         0.000
 ASL           O1     O    .         0.000
 ASL           O2     O    .         0.000
 ASL           OXT    O    .         0.000
 ASL           HXT    H    .         0.000
 ASL           HCA    H    .         0.000
 ASL           H      H    .         0.000
 ASL           HN2    H    .         0.000
 ASL           HB1    H    .         0.000
 ASL           HB2    H    .         0.000
 ASL           HC2    H    .         0.000
 ASL           HO1    H    .         0.000
 ASL           HC31   H    .         0.000
 ASL           HC32   H    .         0.000
 ASL           HC33   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
 ASL        N      CA        single
 ASL        N      H         single
 ASL        N      HN2       single
 ASL        CA     C         single
 ASL        CA     CB        single
 ASL        CA     HCA       single
 ASL        C      O         double
 ASL        C      OXT       single
 ASL        CB     CG        single
 ASL        CB     HB1       single
 ASL        CB     HB2       single
 ASL        CG     OD1       single
 ASL        CG     OD2       double
 ASL        OD1    C2        single
 ASL        C3     C2        single
 ASL        C3     HC31      single
 ASL        C3     HC32      single
 ASL        C3     HC33      single
 ASL        C2     C1        single
 ASL        C2     HC2       single
 ASL        C1     O1        single
 ASL        C1     O2        double
 ASL        O1     HO1       single
 ASL        OXT    HXT       single