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
TFS      TFS 'trifluoromethanesulfonic acid       ' non-polymer         9   8 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_TFS
#
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
 TFS           OAB    O    OS        0.000      0.000    0.000    0.000
 TFS           SAE    S    ST        0.000     -1.087    0.831   -0.382
 TFS           OAF    O    OS        0.000     -1.134    2.199    0.000
 TFS           OAH    O    OH1       0.000     -1.016    0.868   -1.901
 TFS           HOAH   H    H         0.000     -0.251    1.262   -2.307
 TFS           CAD    C    CT        0.000     -2.668    0.016   -0.022
 TFS           FAC    F    F         0.000     -2.666   -1.268   -0.577
 TFS           FAG    F    F         0.000     -3.713    0.762   -0.576
 TFS           FAA    F    F         0.000     -2.842   -0.074    1.363
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
 TFS      OAB    n/a    SAE    START
 TFS      SAE    OAB    CAD    .
 TFS      OAF    SAE    .      .
 TFS      OAH    SAE    HOAH   .
 TFS      HOAH   OAH    .      .
 TFS      CAD    SAE    FAA    .
 TFS      FAC    CAD    .      .
 TFS      FAG    CAD    .      .
 TFS      FAA    CAD    .      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
 TFS      FAC    CAD       single      1.320    0.020
 TFS      FAG    CAD       single      1.320    0.020
 TFS      FAA    CAD       single      1.320    0.020
 TFS      CAD    SAE       single      1.662    0.020
 TFS      OAF    SAE       double      1.436    0.020
 TFS      SAE    OAB       double      1.436    0.020
 TFS      OAH    SAE       single      1.635    0.020
 TFS      HOAH   OAH       single      0.967    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
 TFS      OAB    SAE    OAF     109.500    3.000
 TFS      OAB    SAE    OAH     109.500    3.000
 TFS      OAB    SAE    CAD     109.500    3.000
 TFS      OAF    SAE    OAH     109.500    3.000
 TFS      OAF    SAE    CAD     109.500    3.000
 TFS      OAH    SAE    CAD     109.500    3.000
 TFS      SAE    OAH    HOAH    120.000    3.000
 TFS      SAE    CAD    FAC     109.500    3.000
 TFS      SAE    CAD    FAG     109.500    3.000
 TFS      SAE    CAD    FAA     109.500    3.000
 TFS      FAC    CAD    FAG     109.470    3.000
 TFS      FAC    CAD    FAA     109.470    3.000
 TFS      FAG    CAD    FAA     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
 TFS      var_1    OAB    SAE    OAH    HOAH     -63.943   20.000   1
 TFS      var_2    OAB    SAE    CAD    FAA       68.380   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
 TFS      chir_01  CAD    FAC    FAG    FAA       negativ
 TFS      chir_02  SAE    CAD    OAH    OAF       negativ
# ------------------------------------------------------
