#
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
ALE      ALE 'ADR L-EPINEPHRINE                   ' non-polymer        26  13 M
#
data_comp_ALE
#
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
 ALE           C1     C    .         0.000
 ALE           C2     C    .         0.000
 ALE           C3     C    .         0.000
 ALE           C4     C    .         0.000
 ALE           C5     C    .         0.000
 ALE           C7     C    .         0.000
 ALE           C6     C    .         0.000
 ALE           O1     O    .         0.000
 ALE           O2     O    .         0.000
 ALE           O3     O    .         0.000
 ALE           C8     C    .         0.000
 ALE           N1     N    .         0.000
 ALE           C9     C    .         0.000
 ALE           H7     H    .         0.000
 ALE           HO1    H    .         0.000
 ALE           HO2    H    .         0.000
 ALE           HO3    H    .         0.000
 ALE           H81    H    .         0.000
 ALE           H82    H    .         0.000
 ALE           HN1    H    .         0.000
 ALE           H91    H    .         0.000
 ALE           H92    H    .         0.000
 ALE           H93    H    .         0.000
 ALE           H2     H    .         0.000
 ALE           H5     H    .         0.000
 ALE           H6     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
 ALE        C1     C2        double
 ALE        C1     C7        single
 ALE        C1     C6        single
 ALE        C2     C3        single
 ALE        C2     H2        single
 ALE        C3     C4        double
 ALE        C3     O1        single
 ALE        C4     C5        single
 ALE        C4     O2        single
 ALE        C5     C6        double
 ALE        C5     H5        single
 ALE        C7     O3        single
 ALE        C7     C8        single
 ALE        C7     H7        single
 ALE        C6     H6        single
 ALE        O1     HO1       single
 ALE        O2     HO2       single
 ALE        O3     HO3       single
 ALE        C8     N1        single
 ALE        C8     H81       single
 ALE        C8     H82       single
 ALE        N1     C9        single
 ALE        N1     HN1       single
 ALE        C9     H91       single
 ALE        C9     H92       single
 ALE        C9     H93       single