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
MMC      MMC 'METHYL MERCURY ION                  ' non-polymer         5   2 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_MMC
#
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
 MMC           C      C    CH3       0.000      0.000    0.000    0.000
 MMC           H3     H    H         0.000      0.731   -0.505   -0.630
 MMC           H1     H    H         0.000      0.319    1.027    0.174
 MMC           H2     H    H         0.000     -0.081   -0.522    0.953
 MMC           HG     HG   HG        1.000     -1.867    0.000   -0.959
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
 MMC      C      n/a    HG     START
 MMC      H3     C      .      .
 MMC      H1     C      .      .
 MMC      H2     C      .      .
 MMC      HG     C      .      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
 MMC      HG     C         single      2.362    0.020
 MMC      H1     C         single      1.059    0.020
 MMC      H2     C         single      1.059    0.020
 MMC      H3     C         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
 MMC      H3     C      H1      109.470    3.000
 MMC      H3     C      H2      109.470    3.000
 MMC      H1     C      H2      109.470    3.000
 MMC      H3     C      HG      109.500    3.000
 MMC      H1     C      HG      109.500    3.000
 MMC      H2     C      HG      109.500    3.000
# ------------------------------------------------------
