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
LDO      LDO '6-HYDROXY-L-NORLEUCINE              ' non-polymer        22  10 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_LDO
#
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
 LDO           OXT    O    OC       -0.500      0.000    0.000    0.000
 LDO           C      C    C         0.000     -0.670   -0.444   -0.958
 LDO           O      O    OC       -0.500     -0.330   -1.511   -1.517
 LDO           CA     C    CH1       0.000     -1.887    0.303   -1.438
 LDO           HA1    H    H         0.000     -1.751    1.378   -1.257
 LDO           N      N    NH2       0.000     -2.070    0.068   -2.876
 LDO           HN2    H    H         0.000     -2.058    0.844   -3.527
 LDO           HN1    H    H         0.000     -2.210   -0.873   -3.228
 LDO           CB     C    CH2       0.000     -3.120   -0.188   -0.680
 LDO           HB1    H    H         0.000     -2.982   -0.014    0.389
 LDO           HB2    H    H         0.000     -3.254   -1.257   -0.859
 LDO           CG     C    CH2       0.000     -4.355    0.570   -1.166
 LDO           HG1    H    H         0.000     -4.489    0.396   -2.236
 LDO           HG2    H    H         0.000     -4.218    1.639   -0.987
 LDO           CD     C    CH2       0.000     -5.590    0.078   -0.408
 LDO           HD1    H    H         0.000     -5.452    0.252    0.661
 LDO           HD2    H    H         0.000     -5.723   -0.990   -0.588
 LDO           CE     C    CH2       0.000     -6.825    0.837   -0.895
 LDO           HE1    H    H         0.000     -6.960    0.663   -1.965
 LDO           HE2    H    H         0.000     -6.688    1.906   -0.716
 LDO           OZ     O    OH1       0.000     -7.977    0.378   -0.188
 LDO           HOZ    H    H         0.000     -8.756    0.859   -0.497
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
 LDO      OXT    n/a    C      START
 LDO      C      OXT    CA     .
 LDO      O      C      .      .
 LDO      CA     C      CB     .
 LDO      HA1    CA     .      .
 LDO      N      CA     HN1    .
 LDO      HN2    N      .      .
 LDO      HN1    N      .      .
 LDO      CB     CA     CG     .
 LDO      HB1    CB     .      .
 LDO      HB2    CB     .      .
 LDO      CG     CB     CD     .
 LDO      HG1    CG     .      .
 LDO      HG2    CG     .      .
 LDO      CD     CG     CE     .
 LDO      HD1    CD     .      .
 LDO      HD2    CD     .      .
 LDO      CE     CD     OZ     .
 LDO      HE1    CE     .      .
 LDO      HE2    CE     .      .
 LDO      OZ     CE     HOZ    .
 LDO      HOZ    OZ     .      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
 LDO      N      CA        single      1.450    0.020
 LDO      HN1    N         single      1.010    0.020
 LDO      HN2    N         single      1.010    0.020
 LDO      CB     CA        single      1.524    0.020
 LDO      CA     C         single      1.500    0.020
 LDO      HA1    CA        single      1.099    0.020
 LDO      CG     CB        single      1.524    0.020
 LDO      HB1    CB        single      1.092    0.020
 LDO      HB2    CB        single      1.092    0.020
 LDO      CD     CG        single      1.524    0.020
 LDO      HG1    CG        single      1.092    0.020
 LDO      HG2    CG        single      1.092    0.020
 LDO      CE     CD        single      1.524    0.020
 LDO      HD1    CD        single      1.092    0.020
 LDO      HD2    CD        single      1.092    0.020
 LDO      OZ     CE        single      1.432    0.020
 LDO      HE1    CE        single      1.092    0.020
 LDO      HE2    CE        single      1.092    0.020
 LDO      HOZ    OZ        single      0.967    0.020
 LDO      O      C         deloc       1.250    0.020
 LDO      C      OXT       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
 LDO      OXT    C      O       123.000    3.000
 LDO      OXT    C      CA      118.500    3.000
 LDO      O      C      CA      118.500    3.000
 LDO      C      CA     HA1     108.810    3.000
 LDO      C      CA     N       109.470    3.000
 LDO      C      CA     CB      109.470    3.000
 LDO      HA1    CA     N       109.470    3.000
 LDO      HA1    CA     CB      108.340    3.000
 LDO      N      CA     CB      109.470    3.000
 LDO      CA     N      HN2     120.000    3.000
 LDO      CA     N      HN1     120.000    3.000
 LDO      HN2    N      HN1     120.000    3.000
 LDO      CA     CB     HB1     109.470    3.000
 LDO      CA     CB     HB2     109.470    3.000
 LDO      CA     CB     CG      111.000    3.000
 LDO      HB1    CB     HB2     107.900    3.000
 LDO      HB1    CB     CG      109.470    3.000
 LDO      HB2    CB     CG      109.470    3.000
 LDO      CB     CG     HG1     109.470    3.000
 LDO      CB     CG     HG2     109.470    3.000
 LDO      CB     CG     CD      111.000    3.000
 LDO      HG1    CG     HG2     107.900    3.000
 LDO      HG1    CG     CD      109.470    3.000
 LDO      HG2    CG     CD      109.470    3.000
 LDO      CG     CD     HD1     109.470    3.000
 LDO      CG     CD     HD2     109.470    3.000
 LDO      CG     CD     CE      111.000    3.000
 LDO      HD1    CD     HD2     107.900    3.000
 LDO      HD1    CD     CE      109.470    3.000
 LDO      HD2    CD     CE      109.470    3.000
 LDO      CD     CE     HE1     109.470    3.000
 LDO      CD     CE     HE2     109.470    3.000
 LDO      CD     CE     OZ      109.470    3.000
 LDO      HE1    CE     HE2     107.900    3.000
 LDO      HE1    CE     OZ      109.470    3.000
 LDO      HE2    CE     OZ      109.470    3.000
 LDO      CE     OZ     HOZ     109.470    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
 LDO      var_1    OXT    C      CA     CB       -89.932   20.000   3
 LDO      var_2    C      CA     N      HN1       60.044   20.000   1
 LDO      var_3    C      CA     CB     CG       179.987   20.000   3
 LDO      var_4    CA     CB     CG     CD       179.972   20.000   3
 LDO      var_5    CB     CG     CD     CE       180.000   20.000   3
 LDO      var_6    CG     CD     CE     OZ      -179.992   20.000   3
 LDO      var_7    CD     CE     OZ     HOZ     -179.981   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
 LDO      chir_01  CA     N      CB     C         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
 LDO      plan-1    N         0.020
 LDO      plan-1    CA        0.020
 LDO      plan-1    HN1       0.020
 LDO      plan-1    HN2       0.020
 LDO      plan-2    C         0.020
 LDO      plan-2    CA        0.020
 LDO      plan-2    O         0.020
 LDO      plan-2    OXT       0.020
# ------------------------------------------------------
