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
PBM      PBM 'TRIMETHYL LEAD ION                  ' non-polymer        13   4 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_PBM
#
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
 PBM           C3     C    CH3       0.000      0.000    0.000    0.000
 PBM           H31    H    H         0.000     -0.521   -0.923   -0.348
 PBM           H32    H    H         0.000     -0.706    0.860   -0.073
 PBM           H33    H    H         0.000      0.769    0.285   -0.755
 PBM           PB     PB   PB        1.000      0.923    0.009    1.987
 PBM           C2     C    CH3       0.000      0.936   -1.809    3.249
 PBM           H23    H    H         0.000      0.542   -1.541    4.258
 PBM           H22    H    H         0.000      1.994   -2.068    3.483
 PBM           H21    H    H         0.000      0.415   -2.731    2.901
 PBM           C1     C    CH3       0.000      1.942    1.814    2.668
 PBM           H13    H    H         0.000      3.000    1.555    2.902
 PBM           H12    H    H         0.000      1.549    2.082    3.677
 PBM           H11    H    H         0.000      1.935    2.730    2.031
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
 PBM      C3     n/a    PB     START
 PBM      H31    C3     .      .
 PBM      H32    C3     .      .
 PBM      H33    C3     .      .
 PBM      PB     C3     C1     .
 PBM      C2     PB     H21    .
 PBM      H23    C2     .      .
 PBM      H22    C2     .      .
 PBM      H21    C2     .      .
 PBM      C1     PB     H11    .
 PBM      H13    C1     .      .
 PBM      H12    C1     .      .
 PBM      H11    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
 PBM      C1     PB        single      2.212    0.020
 PBM      C2     PB        single      2.212    0.020
 PBM      PB     C3        single      2.212    0.020
 PBM      H11    C1        single      1.059    0.020
 PBM      H12    C1        single      1.059    0.020
 PBM      H13    C1        single      1.059    0.020
 PBM      H21    C2        single      1.059    0.020
 PBM      H22    C2        single      1.059    0.020
 PBM      H23    C2        single      1.059    0.020
 PBM      H31    C3        single      1.059    0.020
 PBM      H32    C3        single      1.059    0.020
 PBM      H33    C3        single      1.059    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
 PBM      H31    C3     H32     109.470    3.000
 PBM      H31    C3     H33     109.470    3.000
 PBM      H32    C3     H33     109.470    3.000
 PBM      H31    C3     PB      109.500    3.000
 PBM      H32    C3     PB      109.500    3.000
 PBM      H33    C3     PB      109.500    3.000
 PBM      C3     PB     C2      120.000    3.000
 PBM      C3     PB     C1      120.000    3.000
 PBM      C2     PB     C1      120.000    3.000
 PBM      PB     C2     H23     109.500    3.000
 PBM      PB     C2     H22     109.500    3.000
 PBM      PB     C2     H21     109.500    3.000
 PBM      H23    C2     H22     109.470    3.000
 PBM      H23    C2     H21     109.470    3.000
 PBM      H22    C2     H21     109.470    3.000
 PBM      PB     C1     H13     109.500    3.000
 PBM      PB     C1     H12     109.500    3.000
 PBM      PB     C1     H11     109.500    3.000
 PBM      H13    C1     H12     109.470    3.000
 PBM      H13    C1     H11     109.470    3.000
 PBM      H12    C1     H11     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
 PBM      var_1    H31    C3     PB     C2         0.000   20.000   1
 PBM      var_2    H23    C2     PB     C3         0.000   20.000   1
 PBM      var_3    H13    C1     PB     C3         0.000   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
_chem_comp_chir.atom_id_4
_chem_comp_chir.atom_id_5
_chem_comp_chir.atom_id_6
_chem_comp_chir.atom_id_7
_chem_comp_chir.atom_id_8
 PBM      chir_01  PB     .      .      C3        cross3
                   C2     C1     .      .      .
# ------------------------------------------------------
