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
4SM      4SM 'TETRATHIOMOLYBDATE                  ' non-polymer         5   5 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_4SM
#
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
 4SM           S4     S    S1        0.000      0.000    0.000    0.000
 4SM           MO1    MO   MO        0.000     -2.112    0.000   -0.838
 4SM           S1     S    S1       -1.000     -3.211   -1.855   -0.121
 4SM           S2     S    S1       -1.000     -2.026    0.000   -3.108
 4SM           S3     S    S1        0.000     -3.211    1.855   -0.121
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
 4SM      S4     n/a    MO1    START
 4SM      MO1    S4     S3     .
 4SM      S1     MO1    .      .
 4SM      S2     MO1    .      .
 4SM      S3     MO1    .      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
 4SM      S1     MO1       single      2.225    0.020
 4SM      S3     MO1       double      2.225    0.020
 4SM      MO1    S4        double      2.225    0.020
 4SM      S2     MO1       single      2.225    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
 4SM      S4     MO1    S1       90.000    3.000
 4SM      S4     MO1    S2       90.000    3.000
 4SM      S4     MO1    S3       90.000    3.000
 4SM      S1     MO1    S2       90.000    3.000
 4SM      S1     MO1    S3       90.000    3.000
 4SM      S2     MO1    S3       90.000    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
 4SM      chir_01  MO1    S4     S1     S2        both
# ------------------------------------------------------
