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
MBR      MBR 'TRIBROMOMETHANE                     ' non-polymer         5   4 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_MBR
#
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
 MBR           BR3    BR   BR        0.000      0.000    0.000    0.000
 MBR           C1     C    CH1       0.000     -1.752    0.629    0.629
 MBR           H1     H    H         0.000     -1.769    1.719    0.629
 MBR           BR2    BR   BR        0.000     -3.159   -0.048   -0.566
 MBR           BR1    BR   BR        0.000     -2.070   -0.031    2.453
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
 MBR      BR3    n/a    C1     START
 MBR      C1     BR3    BR1    .
 MBR      H1     C1     .      .
 MBR      BR2    C1     .      .
 MBR      BR1    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
 MBR      BR2    C1        single      2.015    0.020
 MBR      BR1    C1        single      2.015    0.020
 MBR      C1     BR3       single      2.015    0.020
 MBR      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
 MBR      BR3    C1     H1      109.500    3.000
 MBR      BR3    C1     BR2     109.500    3.000
 MBR      BR3    C1     BR1     109.500    3.000
 MBR      H1     C1     BR2     109.500    3.000
 MBR      H1     C1     BR1     109.500    3.000
 MBR      BR2    C1     BR1     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
 MBR      chir_01  C1     BR2    BR1    BR3       negativ
# ------------------------------------------------------
