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
VSO      VSO 'VINYLSULPHONIC ACID                 ' non-polymer        10   6 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_VSO
#
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
 VSO           O9     O    OS        0.000      0.000    0.000    0.000
 VSO           S2     S    ST        0.000     -1.393   -0.244   -0.120
 VSO           O8     O    OS        0.000     -2.421    0.677    0.219
 VSO           O1     O    OH1       0.000     -1.668   -1.492    0.705
 VSO           HO1    H    H         0.000     -1.566   -1.438    1.649
 VSO           C3     C    C1        0.000     -1.663   -0.659   -1.810
 VSO           H3     H    H         0.000     -1.080   -1.438   -2.272
 VSO           C4     C    C2        0.000     -2.572   -0.022   -2.505
 VSO           H42    H    H         0.000     -3.151    0.756   -2.041
 VSO           H41    H    H         0.000     -2.734   -0.279   -3.536
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
 VSO      O9     n/a    S2     START
 VSO      S2     O9     C3     .
 VSO      O8     S2     .      .
 VSO      O1     S2     HO1    .
 VSO      HO1    O1     .      .
 VSO      C3     S2     C4     .
 VSO      H3     C3     .      .
 VSO      C4     C3     H41    .
 VSO      H42    C4     .      .
 VSO      H41    C4     .      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
 VSO      O1     S2        single      1.635    0.020
 VSO      HO1    O1        single      0.967    0.020
 VSO      C3     S2        single      1.565    0.020
 VSO      O8     S2        double      1.436    0.020
 VSO      S2     O9        double      1.436    0.020
 VSO      C4     C3        double      1.320    0.020
 VSO      H3     C3        single      1.077    0.020
 VSO      H41    C4        single      1.077    0.020
 VSO      H42    C4        single      1.077    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
 VSO      O9     S2     O8      109.500    3.000
 VSO      O9     S2     O1      109.500    3.000
 VSO      O9     S2     C3      109.500    3.000
 VSO      O8     S2     O1      109.500    3.000
 VSO      O8     S2     C3      109.500    3.000
 VSO      O1     S2     C3      109.500    3.000
 VSO      S2     O1     HO1     120.000    3.000
 VSO      S2     C3     H3      120.000    3.000
 VSO      S2     C3     C4      120.000    3.000
 VSO      H3     C3     C4      120.000    3.000
 VSO      C3     C4     H42     120.000    3.000
 VSO      C3     C4     H41     120.000    3.000
 VSO      H42    C4     H41     120.000    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
 VSO      var_1    O9     S2     O1     HO1       67.319   20.000   1
 VSO      var_2    O9     S2     C3     C4      -127.433   20.000   1
 VSO      CONST_1  S2     C3     C4     H41     -179.950    0.000   0
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
 VSO      chir_01  S2     O1     C3     O8        negativ
loop_
_chem_comp_plane_atom.comp_id
_chem_comp_plane_atom.plane_id
_chem_comp_plane_atom.atom_id
_chem_comp_plane_atom.dist_esd
 VSO      plan-1    C3        0.020
 VSO      plan-1    S2        0.020
 VSO      plan-1    C4        0.020
 VSO      plan-1    H3        0.020
 VSO      plan-1    H41       0.020
 VSO      plan-1    H42       0.020
# ------------------------------------------------------
