#
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
ADW      ADW 'ADENOSINE-5"-DITUNGSTATE            ' non-polymer        42  27 M
#
data_comp_ADW
#
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
 ADW           WB     W    .         0.000
 ADW           O1B    O    .         0.000
 ADW           O2B    O    .         0.000
 ADW           O3B    O    .         0.000
 ADW           WA     W    .         0.000
 ADW           O1A    O    .         0.000
 ADW           O2A    O    .         0.000
 ADW           O3A    O    .         0.000
 ADW           O5*    O    .         0.000
 ADW           C5*    C    .         0.000
 ADW           C4*    C    .         0.000
 ADW           O4*    O    .         0.000
 ADW           C3*    C    .         0.000
 ADW           O3*    O    .         0.000
 ADW           C2*    C    .         0.000
 ADW           O2*    O    .         0.000
 ADW           C1*    C    .         0.000
 ADW           N9     N    .         0.000
 ADW           C8     C    .         0.000
 ADW           N7     N    .         0.000
 ADW           C5     C    .         0.000
 ADW           C6     C    .         0.000
 ADW           N6     N    .         0.000
 ADW           N1     N    .         0.000
 ADW           C2     C    .         0.000
 ADW           N3     N    .         0.000
 ADW           C4     C    .         0.000
 ADW           HOA2   H    .         0.000
 ADW           HOB2   H    .         0.000
 ADW           HOB3   H    .         0.000
 ADW           H5*1   H    .         0.000
 ADW           H5*2   H    .         0.000
 ADW           H4*    H    .         0.000
 ADW           H3*    H    .         0.000
 ADW           HO3*   H    .         0.000
 ADW           H2*    H    .         0.000
 ADW           HO2*   H    .         0.000
 ADW           H1*    H    .         0.000
 ADW           H8     H    .         0.000
 ADW           HN61   H    .         0.000
 ADW           HN62   H    .         0.000
 ADW           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
 ADW        WB     O1B       double
 ADW        WB     O2B       single
 ADW        WB     O3B       single
 ADW        WB     O3A       single
 ADW        O2B    HOB2      single
 ADW        O3B    HOB3      single
 ADW        WA     O1A       double
 ADW        WA     O2A       single
 ADW        WA     O3A       single
 ADW        WA     O5*       single
 ADW        O2A    HOA2      single
 ADW        O5*    C5*       single
 ADW        C5*    C4*       single
 ADW        C5*    H5*1      single
 ADW        C5*    H5*2      single
 ADW        C4*    O4*       single
 ADW        C4*    C3*       single
 ADW        C4*    H4*       single
 ADW        O4*    C1*       single
 ADW        C3*    O3*       single
 ADW        C3*    C2*       single
 ADW        C3*    H3*       single
 ADW        O3*    HO3*      single
 ADW        C2*    O2*       single
 ADW        C2*    C1*       single
 ADW        C2*    H2*       single
 ADW        O2*    HO2*      single
 ADW        C1*    N9        single
 ADW        C1*    H1*       single
 ADW        N9     C8        single
 ADW        N9     C4        single
 ADW        C8     N7        double
 ADW        C8     H8        single
 ADW        N7     C5        single
 ADW        C5     C6        single
 ADW        C5     C4        double
 ADW        C6     N6        single
 ADW        C6     N1        double
 ADW        N6     HN61      single
 ADW        N6     HN62      single
 ADW        N1     C2        single
 ADW        C2     N3        double
 ADW        C2     H2        single
 ADW        N3     C4        single