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
DDO      DDO '6-HYDROXY-D-NORLEUCINE              ' non-polymer        22  10 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_DDO
#
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
 DDO           OXT    O    OC       -0.500      0.000    0.000    0.000
 DDO           C      C    C         0.000     -0.671   -0.447    0.957
 DDO           O      O    OC       -0.500     -0.332   -1.515    1.512
 DDO           CA     C    CH1       0.000     -1.887    0.301    1.437
 DDO           HA1    H    H         0.000     -1.749    1.377    1.260
 DDO           N      N    NH2       0.000     -2.071    0.061    2.875
 DDO           HN2    H    H         0.000     -2.057    0.835    3.529
 DDO           HN1    H    H         0.000     -2.213   -0.880    3.223
 DDO           CB     C    CH2       0.000     -3.121   -0.186    0.678
 DDO           HB1    H    H         0.000     -3.257   -1.255    0.854
 DDO           HB2    H    H         0.000     -2.983   -0.009   -0.391
 DDO           CG     C    CH2       0.000     -4.354    0.573    1.166
 DDO           HG1    H    H         0.000     -4.216    1.642    0.990
 DDO           HG2    H    H         0.000     -4.490    0.396    2.235
 DDO           CD     C    CH2       0.000     -5.589    0.085    0.406
 DDO           HD1    H    H         0.000     -5.725   -0.984    0.582
 DDO           HD2    H    H         0.000     -5.451    0.263   -0.663
 DDO           CE     C    CH2       0.000     -6.824    0.845    0.895
 DDO           HE1    H    H         0.000     -6.685    1.914    0.719
 DDO           HE2    H    H         0.000     -6.959    0.667    1.964
 DDO           OZ     O    OH1       0.000     -7.976    0.390    0.185
 DDO           HOZ    H    H         0.000     -8.755    0.871    0.495
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
 DDO      OXT    n/a    C      START
 DDO      C      OXT    CA     .
 DDO      O      C      .      .
 DDO      CA     C      CB     .
 DDO      HA1    CA     .      .
 DDO      N      CA     HN1    .
 DDO      HN2    N      .      .
 DDO      HN1    N      .      .
 DDO      CB     CA     CG     .
 DDO      HB1    CB     .      .
 DDO      HB2    CB     .      .
 DDO      CG     CB     CD     .
 DDO      HG1    CG     .      .
 DDO      HG2    CG     .      .
 DDO      CD     CG     CE     .
 DDO      HD1    CD     .      .
 DDO      HD2    CD     .      .
 DDO      CE     CD     OZ     .
 DDO      HE1    CE     .      .
 DDO      HE2    CE     .      .
 DDO      OZ     CE     HOZ    .
 DDO      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
 DDO      N      CA        single      1.450    0.020
 DDO      HN1    N         single      1.010    0.020
 DDO      HN2    N         single      1.010    0.020
 DDO      CB     CA        single      1.524    0.020
 DDO      CA     C         single      1.500    0.020
 DDO      HA1    CA        single      1.099    0.020
 DDO      CG     CB        single      1.524    0.020
 DDO      HB1    CB        single      1.092    0.020
 DDO      HB2    CB        single      1.092    0.020
 DDO      CD     CG        single      1.524    0.020
 DDO      HG1    CG        single      1.092    0.020
 DDO      HG2    CG        single      1.092    0.020
 DDO      CE     CD        single      1.524    0.020
 DDO      HD1    CD        single      1.092    0.020
 DDO      HD2    CD        single      1.092    0.020
 DDO      OZ     CE        single      1.432    0.020
 DDO      HE1    CE        single      1.092    0.020
 DDO      HE2    CE        single      1.092    0.020
 DDO      HOZ    OZ        single      0.967    0.020
 DDO      O      C         deloc       1.250    0.020
 DDO      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
 DDO      OXT    C      O       123.000    3.000
 DDO      OXT    C      CA      118.500    3.000
 DDO      O      C      CA      118.500    3.000
 DDO      C      CA     HA1     108.810    3.000
 DDO      C      CA     N       109.470    3.000
 DDO      C      CA     CB      109.470    3.000
 DDO      HA1    CA     N       109.470    3.000
 DDO      HA1    CA     CB      108.340    3.000
 DDO      N      CA     CB      109.470    3.000
 DDO      CA     N      HN2     120.000    3.000
 DDO      CA     N      HN1     120.000    3.000
 DDO      HN2    N      HN1     120.000    3.000
 DDO      CA     CB     HB1     109.470    3.000
 DDO      CA     CB     HB2     109.470    3.000
 DDO      CA     CB     CG      111.000    3.000
 DDO      HB1    CB     HB2     107.900    3.000
 DDO      HB1    CB     CG      109.470    3.000
 DDO      HB2    CB     CG      109.470    3.000
 DDO      CB     CG     HG1     109.470    3.000
 DDO      CB     CG     HG2     109.470    3.000
 DDO      CB     CG     CD      111.000    3.000
 DDO      HG1    CG     HG2     107.900    3.000
 DDO      HG1    CG     CD      109.470    3.000
 DDO      HG2    CG     CD      109.470    3.000
 DDO      CG     CD     HD1     109.470    3.000
 DDO      CG     CD     HD2     109.470    3.000
 DDO      CG     CD     CE      111.000    3.000
 DDO      HD1    CD     HD2     107.900    3.000
 DDO      HD1    CD     CE      109.470    3.000
 DDO      HD2    CD     CE      109.470    3.000
 DDO      CD     CE     HE1     109.470    3.000
 DDO      CD     CE     HE2     109.470    3.000
 DDO      CD     CE     OZ      109.470    3.000
 DDO      HE1    CE     HE2     107.900    3.000
 DDO      HE1    CE     OZ      109.470    3.000
 DDO      HE2    CE     OZ      109.470    3.000
 DDO      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
 DDO      var_1    OXT    C      CA     CB        89.954   20.000   3
 DDO      var_2    C      CA     N      HN1      -60.074   20.000   1
 DDO      var_3    C      CA     CB     CG      -179.985   20.000   3
 DDO      var_4    CA     CB     CG     CD      -180.000   20.000   3
 DDO      var_5    CB     CG     CD     CE       179.973   20.000   3
 DDO      var_6    CG     CD     CE     OZ       179.990   20.000   3
 DDO      var_7    CD     CE     OZ     HOZ     -179.996   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
 DDO      chir_01  CA     N      CB     C         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
 DDO      plan-1    N         0.020
 DDO      plan-1    CA        0.020
 DDO      plan-1    HN1       0.020
 DDO      plan-1    HN2       0.020
 DDO      plan-2    C         0.020
 DDO      plan-2    CA        0.020
 DDO      plan-2    O         0.020
 DDO      plan-2    OXT       0.020
# ------------------------------------------------------
