#
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
AC2      AC2 '9-HYROXYETHOXYMETHYLGUANINE         ' non-polymer        27  16 M
#
data_comp_AC2
#
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
 AC2           C3*    C    .         0.000
 AC2           O3*    O    .         0.000
 AC2           C2*    C    .         0.000
 AC2           O1*    O    .         0.000
 AC2           C1*    C    .         0.000
 AC2           N9     N    .         0.000
 AC2           C8     C    .         0.000
 AC2           N7     N    .         0.000
 AC2           C5     C    .         0.000
 AC2           C6     C    .         0.000
 AC2           O6     O    .         0.000
 AC2           N1     N    .         0.000
 AC2           C2     C    .         0.000
 AC2           N2     N    .         0.000
 AC2           N3     N    .         0.000
 AC2           C4     C    .         0.000
 AC2           H3*1   H    .         0.000
 AC2           H3*2   H    .         0.000
 AC2           HO*3   H    .         0.000
 AC2           H2*1   H    .         0.000
 AC2           H2*2   H    .         0.000
 AC2           H1*1   H    .         0.000
 AC2           H1*2   H    .         0.000
 AC2           H8     H    .         0.000
 AC2           HN1    H    .         0.000
 AC2           HN21   H    .         0.000
 AC2           HN22   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
 AC2        C3*    O3*       single
 AC2        C3*    C2*       single
 AC2        C3*    H3*1      single
 AC2        C3*    H3*2      single
 AC2        O3*    HO*3      single
 AC2        C2*    O1*       single
 AC2        C2*    H2*1      single
 AC2        C2*    H2*2      single
 AC2        O1*    C1*       single
 AC2        C1*    N9        single
 AC2        C1*    H1*1      single
 AC2        C1*    H1*2      single
 AC2        N9     C4        single
 AC2        N9     C8        single
 AC2        C8     N7        double
 AC2        C8     H8        single
 AC2        N7     C5        single
 AC2        C5     C4        double
 AC2        C5     C6        single
 AC2        C6     N1        single
 AC2        C6     O6        double
 AC2        N1     C2        single
 AC2        N1     HN1       single
 AC2        C2     N3        double
 AC2        C2     N2        single
 AC2        N2     HN21      single
 AC2        N2     HN22      single
 AC2        N3     C4        single