#
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
5AT      5AT '5"-AMINO-5"-DEOXYTHYMIDINE          ' non-polymer        32  17 M
#
data_comp_5AT
#
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
 5AT           N5*    N    .         0.000
 5AT           N1     N    .         0.000
 5AT           C6     C    .         0.000
 5AT           C2     C    .         0.000
 5AT           O2     O    .         0.000
 5AT           N3     N    .         0.000
 5AT           C4     C    .         0.000
 5AT           O4     O    .         0.000
 5AT           C5     C    .         0.000
 5AT           C7     C    .         0.000
 5AT           C2*    C    .         0.000
 5AT           C5*    C    .         0.000
 5AT           C4*    C    .         0.000
 5AT           O4*    O    .         0.000
 5AT           C1*    C    .         0.000
 5AT           C3*    C    .         0.000
 5AT           O3*    O    .         0.000
 5AT           HN51   H    .         0.000
 5AT           HN52   H    .         0.000
 5AT           H5*1   H    .         0.000
 5AT           H5*2   H    .         0.000
 5AT           H4*    H    .         0.000
 5AT           H1*    H    .         0.000
 5AT           H6     H    .         0.000
 5AT           H3     H    .         0.000
 5AT           H71    H    .         0.000
 5AT           H72    H    .         0.000
 5AT           H73    H    .         0.000
 5AT           H2*1   H    .         0.000
 5AT           H2*2   H    .         0.000
 5AT           H3*    H    .         0.000
 5AT           H3T    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
 5AT        N5*    HN51      single
 5AT        N5*    HN52      single
 5AT        N5*    C5*       single
 5AT        N1     C6        single
 5AT        N1     C2        single
 5AT        N1     C1*       single
 5AT        C6     H6        single
 5AT        C6     C5        double
 5AT        C2     O2        double
 5AT        C2     N3        single
 5AT        N3     H3        single
 5AT        N3     C4        single
 5AT        C4     O4        double
 5AT        C4     C5        single
 5AT        C5     C7        single
 5AT        C7     H71       single
 5AT        C7     H72       single
 5AT        C7     H73       single
 5AT        C2*    H2*1      single
 5AT        C2*    C1*       single
 5AT        C2*    C3*       single
 5AT        C2*    H2*2      single
 5AT        C5*    H5*1      single
 5AT        C5*    H5*2      single
 5AT        C5*    C4*       single
 5AT        C4*    H4*       single
 5AT        C4*    O4*       single
 5AT        C4*    C3*       single
 5AT        O4*    C1*       single
 5AT        C1*    H1*       single
 5AT        C3*    H3*       single
 5AT        C3*    O3*       single
 5AT        O3*    H3T       single