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
BF4      BF4 'BERYLLIUM TETRAFLUORIDE ION         ' non-polymer         5   5 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_BF4
#
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
 BF4           F4     F    F         0.000      0.000    0.000    0.000
 BF4           BE     BE   BE       -2.000      0.265   -0.449   -1.401
 BF4           F1     F    F         0.000      0.378    0.749   -2.277
 BF4           F2     F    F         0.000     -0.842   -1.343   -1.857
 BF4           F3     F    F         0.000      1.539   -1.199   -1.477
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
 BF4      F4     n/a    BE     START
 BF4      BE     F4     F3     .
 BF4      F1     BE     .      .
 BF4      F2     BE     .      .
 BF4      F3     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
 BF4      F1     BE        single      1.765    0.020
 BF4      F2     BE        single      1.765    0.020
 BF4      F3     BE        single      1.765    0.020
 BF4      BE     F4        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
 BF4      F4     BE     F1      120.000    3.000
 BF4      F4     BE     F2      120.000    3.000
 BF4      F4     BE     F3      120.000    3.000
 BF4      F1     BE     F2      120.000    3.000
 BF4      F1     BE     F3      120.000    3.000
 BF4      F2     BE     F3      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
 BF4      chir_01  BE     F4     F1     F2        both
# ------------------------------------------------------
