#
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
APF      APF '1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL' non-polymer        30  18 M
#
data_comp_APF
#
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
 APF           CN2    C    .         0.000
 APF           CN1    C    .         0.000
 APF           ON1    O    .         0.000
 APF           N3     N    .         0.000
 APF           C3     C    .         0.000
 APF           C2     C    .         0.000
 APF           C1     C    .         0.000
 APF           C4     C    .         0.000
 APF           O2     O    .         0.000
 APF           F11    F    .         0.000
 APF           F12    F    .         0.000
 APF           F13    F    .         0.000
 APF           CP1    C    .         0.000
 APF           CP2    C    .         0.000
 APF           CP3    C    .         0.000
 APF           CP4    C    .         0.000
 APF           CP5    C    .         0.000
 APF           CP6    C    .         0.000
 APF           HC21   H    .         0.000
 APF           HC22   H    .         0.000
 APF           HC23   H    .         0.000
 APF           HN3    H    .         0.000
 APF           H3     H    .         0.000
 APF           H41    H    .         0.000
 APF           H42    H    .         0.000
 APF           HP2    H    .         0.000
 APF           HP3    H    .         0.000
 APF           HP4    H    .         0.000
 APF           HP5    H    .         0.000
 APF           HP6    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
 APF        CN2    CN1       single
 APF        CN2    HC21      single
 APF        CN2    HC22      single
 APF        CN2    HC23      single
 APF        CN1    ON1       double
 APF        CN1    N3        single
 APF        N3     C3        single
 APF        N3     HN3       single
 APF        C3     C2        single
 APF        C3     C4        single
 APF        C3     H3        single
 APF        C2     C1        single
 APF        C2     O2        double
 APF        C1     F11       single
 APF        C1     F12       single
 APF        C1     F13       single
 APF        C4     CP1       single
 APF        C4     H41       single
 APF        C4     H42       single
 APF        CP1    CP2       double
 APF        CP1    CP6       single
 APF        CP2    CP3       single
 APF        CP2    HP2       single
 APF        CP3    CP4       double
 APF        CP3    HP3       single
 APF        CP4    CP5       single
 APF        CP4    HP4       single
 APF        CP5    CP6       double
 APF        CP5    HP5       single
 APF        CP6    HP6       single