#
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
ABP      ABP '8-BROMOADENOSINE-5"-DIPHOSPHATE     ' non-polymer        42  28 M
#
data_comp_ABP
#
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
 ABP           PB     P    .         0.000
 ABP           O1B    O    .         0.000
 ABP           O2B    O    .         0.000
 ABP           O3B    O    .         0.000
 ABP           PA     P    .         0.000
 ABP           O1A    O    .         0.000
 ABP           O2A    O    .         0.000
 ABP           O3A    O    .         0.000
 ABP           O5*    O    .         0.000
 ABP           C5*    C    .         0.000
 ABP           C4*    C    .         0.000
 ABP           O4*    O    .         0.000
 ABP           C3*    C    .         0.000
 ABP           O3*    O    .         0.000
 ABP           C2*    C    .         0.000
 ABP           O2*    O    .         0.000
 ABP           C1*    C    .         0.000
 ABP           N9     N    .         0.000
 ABP           C8     C    .         0.000
 ABP           BR8    BR   .         0.000
 ABP           N7     N    .         0.000
 ABP           C5     C    .         0.000
 ABP           C6     C    .         0.000
 ABP           N6     N    .         0.000
 ABP           N1     N    .         0.000
 ABP           C2     C    .         0.000
 ABP           N3     N    .         0.000
 ABP           C4     C    .         0.000
 ABP           HOA2   H    .         0.000
 ABP           HOB2   H    .         0.000
 ABP           HOB3   H    .         0.000
 ABP           H5*1   H    .         0.000
 ABP           H5*2   H    .         0.000
 ABP           H4*    H    .         0.000
 ABP           H3*    H    .         0.000
 ABP           HO3*   H    .         0.000
 ABP           H2*    H    .         0.000
 ABP           HO2*   H    .         0.000
 ABP           H1*    H    .         0.000
 ABP           HN61   H    .         0.000
 ABP           HN62   H    .         0.000
 ABP           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
 ABP        PB     O1B       double
 ABP        PB     O2B       single
 ABP        PB     O3B       single
 ABP        PB     O3A       single
 ABP        O2B    HOB2      single
 ABP        O3B    HOB3      single
 ABP        PA     O1A       double
 ABP        PA     O2A       single
 ABP        PA     O3A       single
 ABP        PA     O5*       single
 ABP        O2A    HOA2      single
 ABP        O5*    C5*       single
 ABP        C5*    C4*       single
 ABP        C5*    H5*1      single
 ABP        C5*    H5*2      single
 ABP        C4*    O4*       single
 ABP        C4*    C3*       single
 ABP        C4*    H4*       single
 ABP        O4*    C1*       single
 ABP        C3*    O3*       single
 ABP        C3*    C2*       single
 ABP        C3*    H3*       single
 ABP        O3*    HO3*      single
 ABP        C2*    O2*       single
 ABP        C2*    C1*       single
 ABP        C2*    H2*       single
 ABP        O2*    HO2*      single
 ABP        C1*    N9        single
 ABP        C1*    H1*       single
 ABP        N9     C8        single
 ABP        N9     C4        single
 ABP        C8     N7        double
 ABP        C8     BR8       single
 ABP        N7     C5        single
 ABP        C5     C6        single
 ABP        C5     C4        double
 ABP        C6     N6        single
 ABP        C6     N1        double
 ABP        N6     HN61      single
 ABP        N6     HN62      single
 ABP        N1     C2        single
 ABP        C2     N3        double
 ABP        C2     H2        single
 ABP        N3     C4        single