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
PHG      PHG 'PHENYLMERCURY                       ' non-polymer        12   7 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_PHG
#
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
 PHG           HG     HG   HG        0.000      0.000    0.000    0.000
 PHG           C4     C    CR6       0.000     -1.465    0.000    1.503
 PHG           C3     C    CR16      0.000     -1.091    0.000    2.833
 PHG           H3     H    H         0.000     -0.041    0.000    3.100
 PHG           C2     C    CR16      0.000     -2.055    0.000    3.823
 PHG           H2     H    H         0.000     -1.762    0.001    4.865
 PHG           C5     C    CR16      0.000     -2.805    0.003    1.162
 PHG           H5     H    H         0.000     -3.098    0.008    0.120
 PHG           C6     C    CR16      0.000     -3.770   -0.001    2.152
 PHG           H6     H    H         0.000     -4.819   -0.004    1.885
 PHG           C1     C    CR16      0.000     -3.395   -0.001    3.482
 PHG           H1     H    H         0.000     -4.151   -0.002    4.257
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
 PHG      HG     n/a    C4     START
 PHG      C4     HG     C5     .
 PHG      C3     C4     C2     .
 PHG      H3     C3     .      .
 PHG      C2     C3     H2     .
 PHG      H2     C2     .      .
 PHG      C5     C4     C6     .
 PHG      H5     C5     .      .
 PHG      C6     C5     C1     .
 PHG      H6     C6     .      .
 PHG      C1     C6     H1     .
 PHG      H1     C1     .      END
 PHG      C1     C2     .    ADD
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
 PHG      C1     C2        double      1.390    0.020
 PHG      C1     C6        single      1.390    0.020
 PHG      H1     C1        single      1.083    0.020
 PHG      C2     C3        single      1.390    0.020
 PHG      H2     C2        single      1.083    0.020
 PHG      C3     C4        double      1.390    0.020
 PHG      H3     C3        single      1.083    0.020
 PHG      C5     C4        single      1.390    0.020
 PHG      C4     HG        single      2.295    0.020
 PHG      C6     C5        double      1.390    0.020
 PHG      H5     C5        single      1.083    0.020
 PHG      H6     C6        single      1.083    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
 PHG      HG     C4     C3      120.000    3.000
 PHG      HG     C4     C5      120.000    3.000
 PHG      C3     C4     C5      120.000    3.000
 PHG      C4     C3     H3      120.000    3.000
 PHG      C4     C3     C2      120.000    3.000
 PHG      H3     C3     C2      120.000    3.000
 PHG      C3     C2     H2      120.000    3.000
 PHG      C3     C2     C1      120.000    3.000
 PHG      H2     C2     C1      120.000    3.000
 PHG      C4     C5     H5      120.000    3.000
 PHG      C4     C5     C6      120.000    3.000
 PHG      H5     C5     C6      120.000    3.000
 PHG      C5     C6     H6      120.000    3.000
 PHG      C5     C6     C1      120.000    3.000
 PHG      H6     C6     C1      120.000    3.000
 PHG      C6     C1     H1      120.000    3.000
 PHG      C6     C1     C2      120.000    3.000
 PHG      H1     C1     C2      120.000    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
 PHG      CONST_1  HG     C4     C3     C2       180.000    0.000   0
 PHG      CONST_2  C4     C3     C2     C1         0.000    0.000   0
 PHG      CONST_3  HG     C4     C5     C6       180.000    0.000   0
 PHG      CONST_4  C4     C5     C6     C1         0.000    0.000   0
 PHG      CONST_5  C5     C6     C1     C2         0.000    0.000   0
 PHG      CONST_6  C6     C1     C2     C3         0.000    0.000   0
loop_
_chem_comp_plane_atom.comp_id
_chem_comp_plane_atom.plane_id
_chem_comp_plane_atom.atom_id
_chem_comp_plane_atom.dist_esd
 PHG      plan-1    C1        0.020
 PHG      plan-1    C2        0.020
 PHG      plan-1    C6        0.020
 PHG      plan-1    H1        0.020
 PHG      plan-1    C3        0.020
 PHG      plan-1    C4        0.020
 PHG      plan-1    C5        0.020
 PHG      plan-1    H2        0.020
 PHG      plan-1    H3        0.020
 PHG      plan-1    HG        0.020
 PHG      plan-1    H5        0.020
 PHG      plan-1    H6        0.020
# ------------------------------------------------------
