#
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
LDP      LDP 'L-DOPAMINE                          ' non-polymer        22  11 M
#
data_comp_LDP
#
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
 LDP           C7     C    .         0.000
 LDP           C1     C    .         0.000
 LDP           C4     C    .         0.000
 LDP           C2     C    .         0.000
 LDP           C6     C    .         0.000
 LDP           C5     C    .         0.000
 LDP           C3     C    .         0.000
 LDP           O1     O    .         0.000
 LDP           O2     O    .         0.000
 LDP           C8     C    .         0.000
 LDP           N1     N    .         0.000
 LDP           H71    H    .         0.000
 LDP           H72    H    .         0.000
 LDP           HO1    H    .         0.000
 LDP           HO2    H    .         0.000
 LDP           H81    H    .         0.000
 LDP           H82    H    .         0.000
 LDP           HN11   H    .         0.000
 LDP           HN12   H    .         0.000
 LDP           H2     H    .         0.000
 LDP           H6     H    .         0.000
 LDP           H5     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
 LDP        C7     C1        single
 LDP        C7     C8        single
 LDP        C7     H71       single
 LDP        C7     H72       single
 LDP        C1     C2        double
 LDP        C1     C6        single
 LDP        C4     C5        single
 LDP        C4     C3        double
 LDP        C4     O2        single
 LDP        C2     C3        single
 LDP        C2     H2        single
 LDP        C6     C5        double
 LDP        C6     H6        single
 LDP        C5     H5        single
 LDP        C3     O1        single
 LDP        O1     HO1       single
 LDP        O2     HO2       single
 LDP        C8     N1        single
 LDP        C8     H81       single
 LDP        C8     H82       single
 LDP        N1     HN11      single
 LDP        N1     HN12      single