#
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
AIR      AIR 'N5-CARBOXYAMINOIMIDAZOLE RIBONUCLEOT' non-polymer        33  19 M
#
data_comp_AIR
#
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
 AIR           N1     N    .         0.000
 AIR           C2     C    .         0.000
 AIR           N3     N    .         0.000
 AIR           C4     C    .         0.000
 AIR           C5     C    .         0.000
 AIR           N6     N    .         0.000
 AIR           'C1''  C    .         0.000
 AIR           'C2''  C    .         0.000
 AIR           'C3''  C    .         0.000
 AIR           'C4''  C    .         0.000
 AIR           'O4''  O    .         0.000
 AIR           'O2''  O    .         0.000
 AIR           'O3''  O    .         0.000
 AIR           'C5''  C    .         0.000
 AIR           'O5''  O    .         0.000
 AIR           P      P    .         0.000
 AIR           O6     O    .         0.000
 AIR           O7     O    .         0.000
 AIR           O8     O    .         0.000
 AIR           HO6    H    .         0.000
 AIR           HO7    H    .         0.000
 AIR           HC51   H    .         0.000
 AIR           HC52   H    .         0.000
 AIR           'HC4'' H    .         0.000
 AIR           'HC3'' H    .         0.000
 AIR           'HO'3' H    .         0.000
 AIR           'HC2'' H    .         0.000
 AIR           'HO'2' H    .         0.000
 AIR           'HC1'' H    .         0.000
 AIR           HC2    H    .         0.000
 AIR           HC4    H    .         0.000
 AIR           HN61   H    .         0.000
 AIR           HN62   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
 AIR        N1     C2        single
 AIR        N1     C5        single
 AIR        N1     'C1''     single
 AIR        C2     N3        double
 AIR        C2     HC2       single
 AIR        N3     C4        single
 AIR        C4     C5        double
 AIR        C4     HC4       single
 AIR        C5     N6        single
 AIR        N6     HN61      single
 AIR        N6     HN62      single
 AIR        'C1''  'C2''     single
 AIR        'C1''  'O4''     single
 AIR        'C1''  'HC1''    single
 AIR        'C2''  'C3''     single
 AIR        'C2''  'O2''     single
 AIR        'C2''  'HC2''    single
 AIR        'C3''  'C4''     single
 AIR        'C3''  'O3''     single
 AIR        'C3''  'HC3''    single
 AIR        'C4''  'O4''     single
 AIR        'C4''  'C5''     single
 AIR        'C4''  'HC4''    single
 AIR        'O2''  'HO'2'    single
 AIR        'O3''  'HO'3'    single
 AIR        'C5''  'O5''     single
 AIR        'C5''  HC51      single
 AIR        'C5''  HC52      single
 AIR        'O5''  P         single
 AIR        P      O6        single
 AIR        P      O7        single
 AIR        P      O8        double
 AIR        O6     HO6       single
 AIR        O7     HO7       single