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
S5S      S5S '2-sulfanyl-2lambda~4~-tetrasulfane  ' non-polymer         9   5 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_S5S
#
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
 S5S           S5     S    SH1       0.000      0.000    0.000    0.000
 S5S           HS5    H    H         0.000      0.807    1.071    0.003
 S5S           S2     S    ST        0.000     -1.977    0.576   -0.010
 S5S           HS2    H    H         0.000     -1.983    0.577    1.224
 S5S           S1     S    SH1       0.000     -3.956    1.152   -0.020
 S5S           HS1    H    H         0.000     -4.062    2.484   -0.135
 S5S           S3     S    S2        0.000     -2.554   -1.402   -0.011
 S5S           S4     S    SH1       0.000     -4.601   -1.286   -0.021
 S5S           HS4    H    H         0.000     -5.120   -2.512   -0.022
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
 S5S      S5     n/a    S2     START
 S5S      HS5    S5     .      .
 S5S      S2     S5     S3     .
 S5S      HS2    S2     .      .
 S5S      S1     S2     HS1    .
 S5S      HS1    S1     .      .
 S5S      S3     S2     S4     .
 S5S      S4     S3     HS4    .
 S5S      HS4    S4     .      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
 S5S      S1     S2        single      1.925    0.020
 S5S      HS1    S1        single      1.330    0.020
 S5S      S3     S2        single      1.900    0.020
 S5S      S2     S5        single      1.925    0.020
 S5S      S4     S3        single      2.025    0.020
 S5S      HS5    S5        single      1.330    0.020
 S5S      HS2    S2        single      1.234    0.020
 S5S      HS4    S4        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
 S5S      HS5    S5     S2      109.500    3.000
 S5S      S5     S2     HS2     109.500    3.000
 S5S      S5     S2     S1      109.500    3.000
 S5S      S5     S2     S3      109.500    3.000
 S5S      HS2    S2     S1      109.500    3.000
 S5S      HS2    S2     S3      109.500    3.000
 S5S      S1     S2     S3      109.500    3.000
 S5S      S2     S1     HS1     109.500    3.000
 S5S      S2     S3     S4      103.015    3.000
 S5S      S3     S4     HS4     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
 S5S      var_1    HS5    S5     S2     S3      -179.995   20.000   1
 S5S      var_2    S5     S2     S1     HS1      -60.976   20.000   1
 S5S      var_3    S5     S2     S3     S4      -179.975   20.000   1
 S5S      var_4    S2     S3     S4     HS4     -179.979   20.000   1
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
 S5S      chir_01  S2     S1     S3     S5        negativ
# ------------------------------------------------------
