#
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
PUR      PUR 'PURINE RIBOSIDE                     ' non-polymer        31  18 M
#
data_comp_PUR
#
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
 PUR           N1     N    .         0.000
 PUR           C2     C    .         0.000
 PUR           N3     N    .         0.000
 PUR           C4     C    .         0.000
 PUR           C5     C    .         0.000
 PUR           C6     C    .         0.000
 PUR           N7     N    .         1.000
 PUR           C8     C    .         0.000
 PUR           N9     N    .         0.000
 PUR           C1*    C    .         0.000
 PUR           C2*    C    .         0.000
 PUR           O2*    O    .         0.000
 PUR           C3*    C    .         0.000
 PUR           O3*    O    .         0.000
 PUR           C4*    C    .         0.000
 PUR           O4*    O    .         0.000
 PUR           C5*    C    .         0.000
 PUR           O5*    O    .         0.000
 PUR           H2     H    .         0.000
 PUR           H6     H    .         0.000
 PUR           HN7    H    .         0.000
 PUR           H8     H    .         0.000
 PUR           H1*    H    .         0.000
 PUR           H2*    H    .         0.000
 PUR           HO2*   H    .         0.000
 PUR           H3*    H    .         0.000
 PUR           HO3*   H    .         0.000
 PUR           H4*    H    .         0.000
 PUR           H5*1   H    .         0.000
 PUR           H5*2   H    .         0.000
 PUR           HO5*   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
 PUR        N1     C2        single
 PUR        N1     C6        double
 PUR        C2     N3        double
 PUR        C2     H2        single
 PUR        N3     C4        single
 PUR        C4     C5        double
 PUR        C4     N9        single
 PUR        C5     C6        single
 PUR        C5     N7        single
 PUR        C6     H6        single
 PUR        N7     C8        double
 PUR        N7     HN7       single
 PUR        C8     N9        single
 PUR        C8     H8        single
 PUR        N9     C1*       single
 PUR        C1*    C2*       single
 PUR        C1*    O4*       single
 PUR        C1*    H1*       single
 PUR        C2*    C3*       single
 PUR        C2*    O2*       single
 PUR        C2*    H2*       single
 PUR        O2*    HO2*      single
 PUR        C3*    C4*       single
 PUR        C3*    O3*       single
 PUR        C3*    H3*       single
 PUR        O3*    HO3*      single
 PUR        C4*    C5*       single
 PUR        C4*    O4*       single
 PUR        C4*    H4*       single
 PUR        C5*    O5*       single
 PUR        C5*    H5*1      single
 PUR        C5*    H5*2      single
 PUR        O5*    HO5*      single