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
TAR      TAR 'D(-)-TARTARIC ACID                  ' non-polymer        14  10 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_TAR
#
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
 TAR           O41    O    OC       -0.500      0.000    0.000    0.000
 TAR           C4     C    C         0.000     -1.126   -0.325   -0.438
 TAR           O4     O    OC       -0.500     -1.300   -1.458   -0.939
 TAR           C3     C    CH1       0.000     -2.274    0.650   -0.361
 TAR           H3     H    H         0.000     -1.987    1.592   -0.848
 TAR           O3     O    OH1       0.000     -3.412    0.098   -1.023
 TAR           HO3    H    H         0.000     -3.664   -0.731   -0.594
 TAR           C2     C    CH1       0.000     -2.617    0.918    1.105
 TAR           H2     H    H         0.000     -1.772    1.425    1.592
 TAR           O2     O    OH1       0.000     -2.876   -0.321    1.769
 TAR           HO2    H    H         0.000     -3.619   -0.767    1.340
 TAR           C1     C    C         0.000     -3.841    1.795    1.183
 TAR           O1     O    OC       -0.500     -4.898    1.351    1.684
 TAR           O11    O    OC       -0.500     -3.799    2.966    0.745
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
 TAR      O41    n/a    C4     START
 TAR      C4     O41    C3     .
 TAR      O4     C4     .      .
 TAR      C3     C4     C2     .
 TAR      H3     C3     .      .
 TAR      O3     C3     HO3    .
 TAR      HO3    O3     .      .
 TAR      C2     C3     C1     .
 TAR      H2     C2     .      .
 TAR      O2     C2     HO2    .
 TAR      HO2    O2     .      .
 TAR      C1     C2     O11    .
 TAR      O1     C1     .      .
 TAR      O11    C1     .      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
 TAR      O1     C1        deloc       1.250    0.020
 TAR      O11    C1        deloc       1.250    0.020
 TAR      C1     C2        single      1.500    0.020
 TAR      O2     C2        single      1.432    0.020
 TAR      C2     C3        single      1.524    0.020
 TAR      H2     C2        single      1.099    0.020
 TAR      HO2    O2        single      0.967    0.020
 TAR      O3     C3        single      1.432    0.020
 TAR      C3     C4        single      1.500    0.020
 TAR      H3     C3        single      1.099    0.020
 TAR      HO3    O3        single      0.967    0.020
 TAR      O4     C4        deloc       1.250    0.020
 TAR      C4     O41       deloc       1.250    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
 TAR      O41    C4     O4      123.000    3.000
 TAR      O41    C4     C3      118.500    3.000
 TAR      O4     C4     C3      118.500    3.000
 TAR      C4     C3     H3      108.810    3.000
 TAR      C4     C3     O3      109.470    3.000
 TAR      C4     C3     C2      109.470    3.000
 TAR      H3     C3     O3      109.470    3.000
 TAR      H3     C3     C2      108.340    3.000
 TAR      O3     C3     C2      109.470    3.000
 TAR      C3     O3     HO3     109.470    3.000
 TAR      C3     C2     H2      108.340    3.000
 TAR      C3     C2     O2      109.470    3.000
 TAR      C3     C2     C1      109.470    3.000
 TAR      H2     C2     O2      109.470    3.000
 TAR      H2     C2     C1      108.810    3.000
 TAR      O2     C2     C1      109.470    3.000
 TAR      C2     O2     HO2     109.470    3.000
 TAR      C2     C1     O1      118.500    3.000
 TAR      C2     C1     O11     118.500    3.000
 TAR      O1     C1     O11     123.000    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
 TAR      var_1    O41    C4     C3     C2       -64.967   20.000   3
 TAR      var_2    C4     C3     O3     HO3       60.028   20.000   1
 TAR      var_3    C4     C3     C2     C1      -174.999   20.000   3
 TAR      var_4    C3     C2     O2     HO2      -59.979   20.000   1
 TAR      var_5    C3     C2     C1     O11      -64.967   20.000   3
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
 TAR      chir_01  C2     C1     O2     C3        negativ
 TAR      chir_02  C3     C2     O3     C4        positiv
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
 TAR      plan-1    C1        0.020
 TAR      plan-1    O1        0.020
 TAR      plan-1    O11       0.020
 TAR      plan-1    C2        0.020
 TAR      plan-2    C4        0.020
 TAR      plan-2    C3        0.020
 TAR      plan-2    O4        0.020
 TAR      plan-2    O41       0.020
# ------------------------------------------------------
