#
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
CFC      CFC '1-CARBOXY-1"-[(DIMETHYLAMINO)-CARBON' non-polymer        34  19 M
#
data_comp_CFC
#
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
 CFC           C1     C    .         0.000
 CFC           C2     C    .         0.000
 CFC           C3     C    .         0.000
 CFC           C4     C    .         0.000
 CFC           C5     C    .         0.000
 CFC           C6     C    .         0.000
 CFC           C7     C    .         0.000
 CFC           C8     C    .         0.000
 CFC           C9     C    .         0.000
 CFC           C10    C    .         0.000
 CFC           O1     O    .         0.000
 CFC           O2     O    .         0.000
 CFC           C11    C    .         0.000
 CFC           O3     O    .         0.000
 CFC           FE     FE   .         0.000
 CFC           N1     N    .         0.000
 CFC           C12    C    .         0.000
 CFC           C13    C    .         0.000
 CFC           C14    C    .         0.000
 CFC           H2     H    .         0.000
 CFC           H3     H    .         0.000
 CFC           H4     H    .         0.000
 CFC           H5     H    .         0.000
 CFC           H7     H    .         0.000
 CFC           H8     H    .         0.000
 CFC           H9     H    .         0.000
 CFC           H10    H    .         0.000
 CFC           HO2    H    .         0.000
 CFC           H121   H    .         0.000
 CFC           H122   H    .         0.000
 CFC           H123   H    .         0.000
 CFC           H131   H    .         0.000
 CFC           H132   H    .         0.000
 CFC           H133   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
 CFC        C1     C2        single
 CFC        C1     C5        single
 CFC        C1     C11       single
 CFC        C1     FE        single
 CFC        C2     C3        single
 CFC        C2     H2        single
 CFC        C3     C4        single
 CFC        C3     H3        single
 CFC        C4     C5        single
 CFC        C4     H4        single
 CFC        C5     H5        single
 CFC        C6     C10       single
 CFC        C6     C7        single
 CFC        C6     C14       single
 CFC        C6     FE        single
 CFC        C7     C8        single
 CFC        C7     H7        single
 CFC        C8     C9        single
 CFC        C8     H8        single
 CFC        C9     C10       single
 CFC        C9     H9        single
 CFC        C10    H10       single
 CFC        O1     C11       double
 CFC        O2     C14       single
 CFC        O2     HO2       single
 CFC        C11    N1        single
 CFC        O3     C14       double
 CFC        N1     C12       single
 CFC        N1     C13       single
 CFC        C12    H121      single
 CFC        C12    H122      single
 CFC        C12    H123      single
 CFC        C13    H131      single
 CFC        C13    H132      single
 CFC        C13    H133      single