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
BEF      BEF 'BERYLLIUM TRIFLUORIDE ION           ' non-polymer         4   4 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_BEF
#
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
 BEF           F3     F    F         0.000      0.000    0.000    0.000
 BEF           BE     BE   BE       -1.000     -0.473   -1.284    0.719
 BEF           F1     F    F         0.000     -1.675   -0.973    1.618
 BEF           F2     F    F         0.000      0.745   -1.845    1.520
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
 BEF      F3     n/a    BE     START
 BEF      BE     F3     F2     .
 BEF      F1     BE     .      .
 BEF      F2     BE     .      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
 BEF      F1     BE        single      1.765    0.020
 BEF      F2     BE        single      1.765    0.020
 BEF      BE     F3        single      1.765    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
 BEF      F3     BE     F1      120.000    3.000
 BEF      F3     BE     F2      120.000    3.000
 BEF      F1     BE     F2      120.000    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
 BEF      chir_01  BE     F3     F1     F2        both
# ------------------------------------------------------
