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
CFT      CFT 'TRIFLUOROMETHANE                    ' non-polymer         5   4 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_CFT
#
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
 CFT           FB3    F    F         0.000      0.000    0.000    0.000
 CFT           C1     C    CH1       0.000     -1.072    0.768    0.466
 CFT           H1     H    H         0.000     -1.140    0.677    1.550
 CFT           FB1    F    F         0.000     -0.869    2.110    0.123
 CFT           FB2    F    F         0.000     -2.260    0.313   -0.115
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
 CFT      FB3    n/a    C1     START
 CFT      C1     FB3    FB2    .
 CFT      H1     C1     .      .
 CFT      FB1    C1     .      .
 CFT      FB2    C1     .      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
 CFT      FB1    C1        single      1.370    0.020
 CFT      FB2    C1        single      1.370    0.020
 CFT      C1     FB3       single      1.370    0.020
 CFT      H1     C1        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
 CFT      FB3    C1     H1      109.500    3.000
 CFT      FB3    C1     FB1     109.500    3.000
 CFT      FB3    C1     FB2     109.500    3.000
 CFT      H1     C1     FB1     109.500    3.000
 CFT      H1     C1     FB2     109.500    3.000
 CFT      FB1    C1     FB2     109.500    3.000
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
 CFT      chir_01  C1     FB1    FB2    FB3       negativ
# ------------------------------------------------------
