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
TLA      TLA 'L(+)-TARTARIC ACID                  ' non-polymer        14  10 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_TLA
#
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
 TLA           O41    O    OC       -0.500      0.000    0.000    0.000
 TLA           C4     C    C         0.000     -0.646   -0.570   -0.907
 TLA           O4     O    OC       -0.500     -0.048   -1.045   -1.897
 TLA           C3     C    CH1       0.000     -2.146   -0.685   -0.805
 TLA           H3     H    H         0.000     -2.409   -1.246    0.102
 TLA           O3     O    OH1       0.000     -2.649   -1.371   -1.952
 TLA           HB     H    H         0.000     -2.417   -0.877   -2.750
 TLA           C2     C    CH1       0.000     -2.760    0.714   -0.736
 TLA           H2     H    H         0.000     -2.373    1.241    0.147
 TLA           O2     O    OH1       0.000     -2.418    1.443   -1.915
 TLA           HA     H    H         0.000     -2.759    0.978   -2.691
 TLA           C1     C    C         0.000     -4.260    0.597   -0.635
 TLA           O1     O    OC       -0.500     -4.987    1.108   -1.516
 TLA           O11    O    OC       -0.500     -4.777   -0.007    0.330
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
 TLA      O41    n/a    C4     START
 TLA      C4     O41    C3     .
 TLA      O4     C4     .      .
 TLA      C3     C4     C2     .
 TLA      H3     C3     .      .
 TLA      O3     C3     HB     .
 TLA      HB     O3     .      .
 TLA      C2     C3     C1     .
 TLA      H2     C2     .      .
 TLA      O2     C2     HA     .
 TLA      HA     O2     .      .
 TLA      C1     C2     O11    .
 TLA      O1     C1     .      .
 TLA      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
 TLA      O1     C1        deloc       1.250    0.020
 TLA      O11    C1        deloc       1.250    0.020
 TLA      C1     C2        single      1.500    0.020
 TLA      O2     C2        single      1.432    0.020
 TLA      C2     C3        single      1.524    0.020
 TLA      H2     C2        single      1.099    0.020
 TLA      HA     O2        single      0.967    0.020
 TLA      O3     C3        single      1.432    0.020
 TLA      C3     C4        single      1.500    0.020
 TLA      H3     C3        single      1.099    0.020
 TLA      HB     O3        single      0.967    0.020
 TLA      O4     C4        deloc       1.250    0.020
 TLA      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
 TLA      O41    C4     O4      123.000    3.000
 TLA      O41    C4     C3      118.500    3.000
 TLA      O4     C4     C3      118.500    3.000
 TLA      C4     C3     H3      108.810    3.000
 TLA      C4     C3     O3      109.470    3.000
 TLA      C4     C3     C2      109.470    3.000
 TLA      H3     C3     O3      109.470    3.000
 TLA      H3     C3     C2      108.340    3.000
 TLA      O3     C3     C2      109.470    3.000
 TLA      C3     O3     HB      109.470    3.000
 TLA      C3     C2     H2      108.340    3.000
 TLA      C3     C2     O2      109.470    3.000
 TLA      C3     C2     C1      109.470    3.000
 TLA      H2     C2     O2      109.470    3.000
 TLA      H2     C2     C1      108.810    3.000
 TLA      O2     C2     C1      109.470    3.000
 TLA      C2     O2     HA      109.470    3.000
 TLA      C2     C1     O1      118.500    3.000
 TLA      C2     C1     O11     118.500    3.000
 TLA      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
 TLA      var_1    O41    C4     C3     C2        59.996   20.000   3
 TLA      var_2    C4     C3     O3     HB       -60.021   20.000   1
 TLA      var_3    C4     C3     C2     C1       179.960   20.000   3
 TLA      var_4    C3     C2     O2     HA        59.960   20.000   1
 TLA      var_5    C3     C2     C1     O11       60.118   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
 TLA      chir_01  C2     C1     O2     C3        positiv
 TLA      chir_02  C3     C2     O3     C4        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
 TLA      plan-1    C1        0.020
 TLA      plan-1    O1        0.020
 TLA      plan-1    O11       0.020
 TLA      plan-1    C2        0.020
 TLA      plan-2    C4        0.020
 TLA      plan-2    C3        0.020
 TLA      plan-2    O4        0.020
 TLA      plan-2    O41       0.020
# ------------------------------------------------------
