#
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
APC      APC 'DIPHOSPHOMETHYLPHOSPHONIC ACID ADENO' non-polymer        49  31 M
#
data_comp_APC
#
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
 APC           PG     P    .         0.000
 APC           O1G    O    .         0.000
 APC           O2G    O    .         0.000
 APC           O3G    O    .         0.000
 APC           PB     P    .         0.000
 APC           O1B    O    .         0.000
 APC           O2B    O    .         0.000
 APC           O3B    O    .         0.000
 APC           PA     P    .         0.000
 APC           O1A    O    .         0.000
 APC           O2A    O    .         0.000
 APC           C3A    C    .         0.000
 APC           O5*    O    .         0.000
 APC           C5*    C    .         0.000
 APC           C4*    C    .         0.000
 APC           O4*    O    .         0.000
 APC           C3*    C    .         0.000
 APC           O3*    O    .         0.000
 APC           C2*    C    .         0.000
 APC           O2*    O    .         0.000
 APC           C1*    C    .         0.000
 APC           N9     N    .         0.000
 APC           C8     C    .         0.000
 APC           N7     N    .         0.000
 APC           C5     C    .         0.000
 APC           C6     C    .         0.000
 APC           N6     N    .         0.000
 APC           N1     N    .         0.000
 APC           C2     C    .         0.000
 APC           N3     N    .         0.000
 APC           C4     C    .         0.000
 APC           HOG2   H    .         0.000
 APC           HOG3   H    .         0.000
 APC           HOB2   H    .         0.000
 APC           HOA2   H    .         0.000
 APC           H3A1   H    .         0.000
 APC           H3A2   H    .         0.000
 APC           H5*1   H    .         0.000
 APC           H5*2   H    .         0.000
 APC           H4*    H    .         0.000
 APC           H3*    H    .         0.000
 APC           HO3*   H    .         0.000
 APC           H2*    H    .         0.000
 APC           HO2*   H    .         0.000
 APC           H1*    H    .         0.000
 APC           H8     H    .         0.000
 APC           H2     H    .         0.000
 APC           HN61   H    .         0.000
 APC           HN62   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
 APC        PG     O3B       single
 APC        PG     O1G       double
 APC        PG     O2G       single
 APC        PG     O3G       single
 APC        O2G    HOG2      single
 APC        O3G    HOG3      single
 APC        PB     O1B       double
 APC        PB     O2B       single
 APC        PB     O3B       single
 APC        PB     C3A       single
 APC        O2B    HOB2      single
 APC        PA     O1A       double
 APC        PA     O2A       single
 APC        PA     C3A       single
 APC        PA     O5*       single
 APC        O2A    HOA2      single
 APC        C3A    H3A1      single
 APC        C3A    H3A2      single
 APC        O5*    C5*       single
 APC        C5*    C4*       single
 APC        C5*    H5*1      single
 APC        C5*    H5*2      single
 APC        C4*    O4*       single
 APC        C4*    C3*       single
 APC        C4*    H4*       single
 APC        O4*    C1*       single
 APC        C3*    O3*       single
 APC        C3*    C2*       single
 APC        C3*    H3*       single
 APC        O3*    HO3*      single
 APC        C2*    O2*       single
 APC        C2*    C1*       single
 APC        C2*    H2*       single
 APC        O2*    HO2*      single
 APC        C1*    N9        single
 APC        C1*    H1*       single
 APC        N9     C8        single
 APC        N9     C4        single
 APC        C8     N7        double
 APC        C8     H8        single
 APC        N7     C5        single
 APC        C5     C6        single
 APC        C5     C4        double
 APC        C6     N6        single
 APC        C6     N1        double
 APC        N6     HN61      single
 APC        N6     HN62      single
 APC        N1     C2        single
 APC        C2     N3        double
 APC        C2     H2        single
 APC        N3     C4        single