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
DTN      DTN 'DITHIONITE                          ' non-polymer         6   6 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_DTN
#
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
 DTN           O4     O    OS       -1.000      0.000    0.000    0.000
 DTN           S2     S    S3        0.000     -1.393    0.336   -0.337
 DTN           O3     O    OS        0.000     -2.015    0.209    0.990
 DTN           S1     S    S3        0.000     -1.990   -1.434   -1.181
 DTN           O1     O    OS        0.000     -2.208   -2.237    0.034
 DTN           O2     O    OS       -1.000     -3.383   -1.099   -1.519
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
 DTN      O4     n/a    S2     START
 DTN      S2     O4     S1     .
 DTN      O3     S2     .      .
 DTN      S1     S2     O2     .
 DTN      O1     S1     .      .
 DTN      O2     S1     .      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
 DTN      O1     S1        double      1.800    0.020
 DTN      O2     S1        single      1.800    0.020
 DTN      S1     S2        single      1.890    0.020
 DTN      O3     S2        double      1.800    0.020
 DTN      S2     O4        single      1.800    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
 DTN      O4     S2     O3      100.008    3.000
 DTN      O4     S2     S1       99.989    3.000
 DTN      O3     S2     S1      100.021    3.000
 DTN      S2     S1     O1      100.021    3.000
 DTN      S2     S1     O2       99.989    3.000
 DTN      O1     S1     O2      100.008    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
 DTN      var_1    O4     S2     S1     O2       180.000   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
 DTN      chir_01  S1     O1     O2     S2        negativ
 DTN      chir_02  S2     S1     O3     O4        negativ
# ------------------------------------------------------
