#
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
AAP      AAP 'ALPHA-(2,6-DICHLOROPHENYL)-ALPHA-(2-' non-polymer        39  23 M
#
data_comp_AAP
#
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
 AAP           C      C    .         0.000
 AAP           CA     C    .         0.000
 AAP           O      O    .         0.000
 AAP           N      N    .         0.000
 AAP           C1     C    .         0.000
 AAP           C2     C    .         0.000
 AAP           C3     C    .         0.000
 AAP           C4     C    .         0.000
 AAP           C5     C    .         0.000
 AAP           C6     C    .         0.000
 AAP           CL2    CL   .         0.000
 AAP           CL6    CL   .         0.000
 AAP           'N''   N    .         0.000
 AAP           'C1''  C    .         0.000
 AAP           'C2''  C    .         0.000
 AAP           'C3''  C    .         0.000
 AAP           'C4''  C    .         0.000
 AAP           'C5''  C    .         0.000
 AAP           'C6''  C    .         0.000
 AAP           'C''   C    .         0.000
 AAP           'O''   O    .         0.000
 AAP           'CM''  C    .         0.000
 AAP           CM5    C    .         0.000
 AAP           HA     H    .         0.000
 AAP           HN1    H    .         0.000
 AAP           HN2    H    .         0.000
 AAP           H3     H    .         0.000
 AAP           H4     H    .         0.000
 AAP           H5     H    .         0.000
 AAP           'HN''  H    .         0.000
 AAP           'H3''  H    .         0.000
 AAP           'H4''  H    .         0.000
 AAP           'H6''  H    .         0.000
 AAP           'HM'1' H    .         0.000
 AAP           'HM'2' H    .         0.000
 AAP           'HM'3' H    .         0.000
 AAP           HM51   H    .         0.000
 AAP           HM52   H    .         0.000
 AAP           HM53   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
 AAP        C      CA        single
 AAP        C      N         single
 AAP        C      O         double
 AAP        CA     C1        single
 AAP        CA     'N''      single
 AAP        CA     HA        single
 AAP        N      HN1       single
 AAP        N      HN2       single
 AAP        C1     C2        double
 AAP        C1     C6        single
 AAP        C2     C3        single
 AAP        C2     CL2       single
 AAP        C3     C4        double
 AAP        C3     H3        single
 AAP        C4     C5        single
 AAP        C4     H4        single
 AAP        C5     C6        double
 AAP        C5     H5        single
 AAP        C6     CL6       single
 AAP        'N''   'C1''     single
 AAP        'N''   'HN''     single
 AAP        'C1''  'C2''     double
 AAP        'C1''  'C6''     single
 AAP        'C2''  'C3''     single
 AAP        'C2''  'C''      single
 AAP        'C3''  'C4''     double
 AAP        'C3''  'H3''     single
 AAP        'C4''  'C5''     single
 AAP        'C4''  'H4''     single
 AAP        'C5''  'C6''     double
 AAP        'C5''  CM5       single
 AAP        'C6''  'H6''     single
 AAP        'C''   'O''      double
 AAP        'C''   'CM''     single
 AAP        'CM''  'HM'1'    single
 AAP        'CM''  'HM'2'    single
 AAP        'CM''  'HM'3'    single
 AAP        CM5    HM51      single
 AAP        CM5    HM52      single
 AAP        CM5    HM53      single