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
HLT      HLT '2-BROMO-2-CHLORO-1,1,1-TRIFLUOROETHA' non-polymer         8   7 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_HLT
#
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
 HLT           CL     CL   CL        0.000      0.000    0.000    0.000
 HLT           C1     C    CH1       0.000     -1.637   -0.591    0.470
 HLT           HC1    H    H         0.000     -1.630   -1.689    0.524
 HLT           BR     BR   BR        0.000     -2.951   -0.010   -0.870
 HLT           C2     C    CT        0.000     -2.012   -0.016    1.837
 HLT           F1     F    F         0.000     -1.076   -0.429    2.791
 HLT           F2     F    F         0.000     -3.283   -0.473    2.202
 HLT           F3     F    F         0.000     -2.023    1.381    1.769
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
 HLT      CL     n/a    C1     START
 HLT      C1     CL     C2     .
 HLT      HC1    C1     .      .
 HLT      BR     C1     .      .
 HLT      C2     C1     F3     .
 HLT      F1     C2     .      .
 HLT      F2     C2     .      .
 HLT      F3     C2     .      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
 HLT      F1     C2        single      1.320    0.020
 HLT      F2     C2        single      1.320    0.020
 HLT      F3     C2        single      1.320    0.020
 HLT      C2     C1        single      1.524    0.020
 HLT      BR     C1        single      2.015    0.020
 HLT      C1     CL        single      1.790    0.020
 HLT      HC1    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
 HLT      CL     C1     HC1     109.470    3.000
 HLT      CL     C1     BR      109.500    3.000
 HLT      CL     C1     C2      109.500    3.000
 HLT      HC1    C1     BR      109.500    3.000
 HLT      HC1    C1     C2      108.340    3.000
 HLT      BR     C1     C2      109.500    3.000
 HLT      C1     C2     F1      109.470    3.000
 HLT      C1     C2     F2      109.470    3.000
 HLT      C1     C2     F3      109.470    3.000
 HLT      F1     C2     F2      109.470    3.000
 HLT      F1     C2     F3      109.470    3.000
 HLT      F2     C2     F3      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
 HLT      var_1    CL     C1     C2     F3        60.014   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
 HLT      chir_01  C2     F1     F2     F3        negativ
 HLT      chir_02  C1     C2     BR     CL        negativ
# ------------------------------------------------------
