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
MEE      MEE 'METHANETHIOL                        ' non-polymer         6   2 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_MEE
#
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
 MEE           S      S    SH1       0.000      0.000    0.000    0.000
 MEE           HS     H    H         0.000      0.323   -0.272   -1.263
 MEE           C      C    CH3       0.000     -1.321   -1.104    0.540
 MEE           H3     H    H         0.000     -1.578   -0.887    1.545
 MEE           H2     H    H         0.000     -2.173   -0.969   -0.076
 MEE           H1     H    H         0.000     -0.995   -2.110    0.471
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
 MEE      S      n/a    C      START
 MEE      HS     S      .      .
 MEE      C      S      H1     .
 MEE      H3     C      .      .
 MEE      H2     C      .      .
 MEE      H1     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
 MEE      C      S         single      1.787    0.020
 MEE      H1     C         single      1.059    0.020
 MEE      H2     C         single      1.059    0.020
 MEE      H3     C         single      1.059    0.020
 MEE      HS     S         single      1.330    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
 MEE      HS     S      C       109.500    3.000
 MEE      S      C      H3      109.500    3.000
 MEE      S      C      H2      109.500    3.000
 MEE      S      C      H1      109.500    3.000
 MEE      H3     C      H2      109.470    3.000
 MEE      H3     C      H1      109.470    3.000
 MEE      H2     C      H1      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
 MEE      var_1    HS     S      C      H1        59.996   20.000   1
# ------------------------------------------------------
