#
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
ANE      ANE 'ADENINE                             ' non-polymer        15  10 M
#
data_comp_ANE
#
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
 ANE           N9     N    .         0.000
 ANE           C8     C    .         0.000
 ANE           N7     N    .         0.000
 ANE           C5     C    .         0.000
 ANE           C6     C    .         0.000
 ANE           N6     N    .         0.000
 ANE           N1     N    .         0.000
 ANE           C2     C    .         0.000
 ANE           N3     N    .         0.000
 ANE           C4     C    .         0.000
 ANE           H8     H    .         0.000
 ANE           HN61   H    .         0.000
 ANE           HN62   H    .         0.000
 ANE           HN9    H    .         0.000
 ANE           H2     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
 ANE        N9     C8        single
 ANE        N9     C4        single
 ANE        N9     HN9       single
 ANE        C8     N7        double
 ANE        C8     H8        single
 ANE        N7     C5        single
 ANE        C5     C6        single
 ANE        C5     C4        double
 ANE        C6     N1        double
 ANE        C6     N6        single
 ANE        N6     HN61      single
 ANE        N6     HN62      single
 ANE        N1     C2        single
 ANE        C2     N3        double
 ANE        C2     H2        single
 ANE        N3     C4        single