#
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
AHU      AHU '1",5"-ANHYDRO-2",3"-DIDEOXY-2"-(5-IO' non-polymer        31  18 M
#
data_comp_AHU
#
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
 AHU           C4*    C    .         0.000
 AHU           C7*    C    .         0.000
 AHU           O7*    O    .         0.000
 AHU           O5*    O    .         0.000
 AHU           C6*    C    .         0.000
 AHU           C1*    C    .         0.000
 AHU           C2*    C    .         0.000
 AHU           C3*    C    .         0.000
 AHU           O3*    O    .         0.000
 AHU           N1     N    .         0.000
 AHU           C6     C    .         0.000
 AHU           C2     C    .         0.000
 AHU           O2     O    .         0.000
 AHU           N3     N    .         0.000
 AHU           C4     C    .         0.000
 AHU           O4     O    .         0.000
 AHU           C5     C    .         0.000
 AHU           I      I    .         0.000
 AHU           H4*    H    .         0.000
 AHU           H7*1   H    .         0.000
 AHU           H7*2   H    .         0.000
 AHU           HO*7   H    .         0.000
 AHU           H6*1   H    .         0.000
 AHU           H6*2   H    .         0.000
 AHU           H1*    H    .         0.000
 AHU           H2*1   H    .         0.000
 AHU           H2*2   H    .         0.000
 AHU           H3*    H    .         0.000
 AHU           HO*3   H    .         0.000
 AHU           H6     H    .         0.000
 AHU           HN3    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
 AHU        C4*    C7*       single
 AHU        C4*    O5*       single
 AHU        C4*    C3*       single
 AHU        C4*    H4*       single
 AHU        C7*    O7*       single
 AHU        C7*    H7*1      single
 AHU        C7*    H7*2      single
 AHU        O7*    HO*7      single
 AHU        O5*    C6*       single
 AHU        C6*    C1*       single
 AHU        C6*    H6*1      single
 AHU        C6*    H6*2      single
 AHU        C1*    C2*       single
 AHU        C1*    N1        single
 AHU        C1*    H1*       single
 AHU        C2*    C3*       single
 AHU        C2*    H2*1      single
 AHU        C2*    H2*2      single
 AHU        C3*    O3*       single
 AHU        C3*    H3*       single
 AHU        O3*    HO*3      single
 AHU        N1     C6        single
 AHU        N1     C2        single
 AHU        C6     C5        double
 AHU        C6     H6        single
 AHU        C2     O2        double
 AHU        C2     N3        single
 AHU        N3     C4        single
 AHU        N3     HN3       single
 AHU        C4     O4        double
 AHU        C4     C5        single
 AHU        C5     I         single