#
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
ATF      ATF 'PHOSPHODIFLUOROMETHYLPHOSPHONIC ACID' non-polymer        49  33 M
#
data_comp_ATF
#
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
 ATF           PG     P    .         0.000
 ATF           O1G    O    .         0.000
 ATF           O2G    O    .         0.000
 ATF           O3G    O    .         0.000
 ATF           PB     P    .         0.000
 ATF           O1B    O    .         0.000
 ATF           O2B    O    .         0.000
 ATF           C3B    C    .         0.000
 ATF           F1B    F    .         0.000
 ATF           F2B    F    .         0.000
 ATF           PA     P    .         0.000
 ATF           O1A    O    .         0.000
 ATF           O2A    O    .         0.000
 ATF           O3A    O    .         0.000
 ATF           O5*    O    .         0.000
 ATF           C5*    C    .         0.000
 ATF           C4*    C    .         0.000
 ATF           O4*    O    .         0.000
 ATF           C3*    C    .         0.000
 ATF           O3*    O    .         0.000
 ATF           C2*    C    .         0.000
 ATF           O2*    O    .         0.000
 ATF           C1*    C    .         0.000
 ATF           N9     N    .         0.000
 ATF           C8     C    .         0.000
 ATF           N7     N    .         0.000
 ATF           C5     C    .         0.000
 ATF           C6     C    .         0.000
 ATF           N6     N    .         0.000
 ATF           N1     N    .         0.000
 ATF           C2     C    .         0.000
 ATF           N3     N    .         0.000
 ATF           C4     C    .         0.000
 ATF           HOG2   H    .         0.000
 ATF           HOG3   H    .         0.000
 ATF           HOB2   H    .         0.000
 ATF           HOA2   H    .         0.000
 ATF           H5*1   H    .         0.000
 ATF           H5*2   H    .         0.000
 ATF           H4*    H    .         0.000
 ATF           H3*    H    .         0.000
 ATF           HO3*   H    .         0.000
 ATF           H2*    H    .         0.000
 ATF           HO2*   H    .         0.000
 ATF           H1*    H    .         0.000
 ATF           H8     H    .         0.000
 ATF           H2     H    .         0.000
 ATF           HN61   H    .         0.000
 ATF           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
 ATF        PG     C3B       single
 ATF        PG     O1G       double
 ATF        PG     O2G       single
 ATF        PG     O3G       single
 ATF        O2G    HOG2      single
 ATF        O3G    HOG3      single
 ATF        PB     O1B       double
 ATF        PB     O2B       single
 ATF        PB     C3B       single
 ATF        PB     O3A       single
 ATF        O2B    HOB2      single
 ATF        C3B    F1B       single
 ATF        C3B    F2B       single
 ATF        PA     O1A       double
 ATF        PA     O2A       single
 ATF        PA     O3A       single
 ATF        PA     O5*       single
 ATF        O2A    HOA2      single
 ATF        O5*    C5*       single
 ATF        C5*    C4*       single
 ATF        C5*    H5*1      single
 ATF        C5*    H5*2      single
 ATF        C4*    O4*       single
 ATF        C4*    C3*       single
 ATF        C4*    H4*       single
 ATF        O4*    C1*       single
 ATF        C3*    O3*       single
 ATF        C3*    C2*       single
 ATF        C3*    H3*       single
 ATF        O3*    HO3*      single
 ATF        C2*    O2*       single
 ATF        C2*    C1*       single
 ATF        C2*    H2*       single
 ATF        O2*    HO2*      single
 ATF        C1*    N9        single
 ATF        C1*    H1*       single
 ATF        N9     C8        single
 ATF        N9     C4        single
 ATF        C8     N7        double
 ATF        C8     H8        single
 ATF        N7     C5        single
 ATF        C5     C6        single
 ATF        C5     C4        double
 ATF        C6     N6        single
 ATF        C6     N1        double
 ATF        N6     HN61      single
 ATF        N6     HN62      single
 ATF        N1     C2        single
 ATF        C2     N3        double
 ATF        C2     H2        single
 ATF        N3     C4        single