global_
_lib_name         ?
_lib_version      ?
_lib_update       ?
# ------------------------------------------------
#
# ---   LIST OF MONOMERS ---
#
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
ICF      ICF '1-CHLORO-2,2,2-TRIFLUOROETHYL DIFLUO' non-polymer        12  10 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_ICF
#
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
_chem_comp_atom.x
_chem_comp_atom.y
_chem_comp_atom.z
 ICF           FAA    F    F         0.000      0.000    0.000    0.000
 ICF           CAH    C    CH1       0.000     -0.856    1.091    0.180
 ICF           HAH    H    H         0.000     -0.267    2.018    0.202
 ICF           FAB    F    F         0.000     -1.545    0.948    1.388
 ICF           OAG    O    O2        0.000     -1.792    1.146   -0.898
 ICF           CAI    C    CH1       0.000     -2.522   -0.081   -0.873
 ICF           HAI    H    H         0.000     -1.828   -0.924   -1.001
 ICF           CLAF   CL   CL        0.000     -3.377   -0.241    0.705
 ICF           CAJ    C    CT        0.000     -3.547   -0.087   -2.010
 ICF           FAC    F    F         0.000     -4.261   -1.289   -1.987
 ICF           FAD    F    F         0.000     -4.430    0.985   -1.847
 ICF           FAE    F    F         0.000     -2.884    0.037   -3.236
loop_
_chem_comp_tree.comp_id
_chem_comp_tree.atom_id
_chem_comp_tree.atom_back
_chem_comp_tree.atom_forward
_chem_comp_tree.connect_type
 ICF      FAA    n/a    CAH    START
 ICF      CAH    FAA    OAG    .
 ICF      HAH    CAH    .      .
 ICF      FAB    CAH    .      .
 ICF      OAG    CAH    CAI    .
 ICF      CAI    OAG    CAJ    .
 ICF      HAI    CAI    .      .
 ICF      CLAF   CAI    .      .
 ICF      CAJ    CAI    FAE    .
 ICF      FAC    CAJ    .      .
 ICF      FAD    CAJ    .      .
 ICF      FAE    CAJ    .      END
loop_
_chem_comp_bond.comp_id
_chem_comp_bond.atom_id_1
_chem_comp_bond.atom_id_2
_chem_comp_bond.type
_chem_comp_bond.value_dist
_chem_comp_bond.value_dist_esd
 ICF      FAC    CAJ       single      1.320    0.020
 ICF      FAD    CAJ       single      1.320    0.020
 ICF      FAE    CAJ       single      1.320    0.020
 ICF      CAJ    CAI       single      1.524    0.020
 ICF      CLAF   CAI       single      1.790    0.020
 ICF      CAI    OAG       single      1.426    0.020
 ICF      HAI    CAI       single      1.099    0.020
 ICF      OAG    CAH       single      1.426    0.020
 ICF      FAB    CAH       single      1.370    0.020
 ICF      CAH    FAA       single      1.370    0.020
 ICF      HAH    CAH       single      1.099    0.020
loop_
_chem_comp_angle.comp_id
_chem_comp_angle.atom_id_1
_chem_comp_angle.atom_id_2
_chem_comp_angle.atom_id_3
_chem_comp_angle.value_angle
_chem_comp_angle.value_angle_esd
 ICF      FAA    CAH    HAH     109.500    3.000
 ICF      FAA    CAH    FAB     109.500    3.000
 ICF      FAA    CAH    OAG     109.500    3.000
 ICF      HAH    CAH    FAB     109.500    3.000
 ICF      HAH    CAH    OAG     109.470    3.000
 ICF      FAB    CAH    OAG     109.500    3.000
 ICF      CAH    OAG    CAI     111.800    3.000
 ICF      OAG    CAI    HAI     109.470    3.000
 ICF      OAG    CAI    CLAF    109.500    3.000
 ICF      OAG    CAI    CAJ     109.470    3.000
 ICF      HAI    CAI    CLAF    109.470    3.000
 ICF      HAI    CAI    CAJ     108.340    3.000
 ICF      CLAF   CAI    CAJ     109.500    3.000
 ICF      CAI    CAJ    FAC     109.470    3.000
 ICF      CAI    CAJ    FAD     109.470    3.000
 ICF      CAI    CAJ    FAE     109.470    3.000
 ICF      FAC    CAJ    FAD     109.470    3.000
 ICF      FAC    CAJ    FAE     109.470    3.000
 ICF      FAD    CAJ    FAE     109.470    3.000
loop_
_chem_comp_tor.comp_id
_chem_comp_tor.id
_chem_comp_tor.atom_id_1
_chem_comp_tor.atom_id_2
_chem_comp_tor.atom_id_3
_chem_comp_tor.atom_id_4
_chem_comp_tor.value_angle
_chem_comp_tor.value_angle_esd
_chem_comp_tor.period
 ICF      var_1    FAA    CAH    OAG    CAI       60.015   20.000   1
 ICF      var_2    CAH    OAG    CAI    CAJ     -179.980   20.000   1
 ICF      var_3    OAG    CAI    CAJ    FAE       60.010   20.000   1
loop_
_chem_comp_chir.comp_id
_chem_comp_chir.id
_chem_comp_chir.atom_id_centre
_chem_comp_chir.atom_id_1
_chem_comp_chir.atom_id_2
_chem_comp_chir.atom_id_3
_chem_comp_chir.volume_sign
 ICF      chir_01  CAJ    FAC    FAD    FAE       positiv
 ICF      chir_02  CAI    CAJ    CLAF   OAG       positiv
 ICF      chir_03  CAH    OAG    FAB    FAA       negativ
# ------------------------------------------------------
