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
S3H      S3H 'trisulfane                          ' non-polymer         5   3 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_S3H
#
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
 S3H           S1     S    SH1       0.000      0.000    0.000    0.000
 S3H           HS1    H    H         0.000      0.510    1.230    0.000
 S3H           S2     S    S2        0.000     -2.047    0.100    0.000
 S3H           S3     S    SH1       0.000     -2.605   -1.872    0.000
 S3H           HS3    H    H         0.000     -3.934   -1.963    0.000
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
 S3H      S1     n/a    S2     START
 S3H      HS1    S1     .      .
 S3H      S2     S1     S3     .
 S3H      S3     S2     HS3    .
 S3H      HS3    S3     .      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
 S3H      S3     S2        single      2.025    0.020
 S3H      HS3    S3        single      1.330    0.020
 S3H      S2     S1        single      2.025    0.020
 S3H      HS1    S1        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
 S3H      HS1    S1     S2      109.500    3.000
 S3H      S1     S2     S3      102.995    3.000
 S3H      S2     S3     HS3     109.500    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
 S3H      var_1    HS1    S1     S2     S3       180.000   20.000   1
 S3H      var_2    S1     S2     S3     HS3      180.000   20.000   1
# ------------------------------------------------------
