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
DHV      DHV '3-hydroxy-D-valine                  ' peptide            19   9 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_DHV
#
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
 DHV           N      N    NH2       0.000      0.000    0.000    0.000
 DHV           HN1    H    H         0.000     -0.001    1.002   -0.150
 DHV           HN2    H    H         0.000      0.882   -0.500    0.007
 DHV           CA     C    CH1       0.000     -1.264   -0.721    0.205
 DHV           HA     H    H         0.000     -1.215   -1.286    1.146
 DHV           CB     C    CT        0.000     -1.493   -1.688   -0.959
 DHV           OG3    O    OH1       0.000     -1.558   -0.953   -2.183
 DHV           HOG3   H    H         0.000     -1.703   -1.564   -2.918
 DHV           CG2    C    CH3       0.000     -2.809   -2.439   -0.745
 DHV           HG23   H    H         0.000     -2.969   -3.110   -1.550
 DHV           HG22   H    H         0.000     -2.763   -2.984    0.163
 DHV           HG21   H    H         0.000     -3.609   -1.747   -0.699
 DHV           CG1    C    CH3       0.000     -0.338   -2.690   -1.025
 DHV           HG13   H    H         0.000     -0.496   -3.360   -1.831
 DHV           HG12   H    H         0.000      0.574   -2.171   -1.172
 DHV           HG11   H    H         0.000     -0.290   -3.236   -0.118
 DHV           C      C    C         0.000     -2.401    0.265    0.270
 DHV           O      O    OC       -0.500     -2.259    1.414   -0.204
 DHV           OXT    O    OC       -0.500     -3.485   -0.065    0.800
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
 DHV      N      n/a    CA     START
 DHV      HN1    N      .      .
 DHV      HN2    N      .      .
 DHV      CA     N      C      .
 DHV      HA     CA     .      .
 DHV      CB     CA     CG1    .
 DHV      OG3    CB     HOG3   .
 DHV      HOG3   OG3    .      .
 DHV      CG2    CB     HG21   .
 DHV      HG23   CG2    .      .
 DHV      HG22   CG2    .      .
 DHV      HG21   CG2    .      .
 DHV      CG1    CB     HG11   .
 DHV      HG13   CG1    .      .
 DHV      HG12   CG1    .      .
 DHV      HG11   CG1    .      .
 DHV      C      CA     .      END
 DHV      O      C      .      .
 DHV      OXT    C      .      .
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
 DHV      CA     N         single      1.450    0.020
 DHV      CB     CA        single      1.524    0.020
 DHV      C      CA        single      1.500    0.020
 DHV      CG1    CB        single      1.524    0.020
 DHV      CG2    CB        single      1.524    0.020
 DHV      OG3    CB        single      1.432    0.020
 DHV      O      C         deloc       1.250    0.020
 DHV      OXT    C         deloc       1.250    0.020
 DHV      HA     CA        single      1.099    0.020
 DHV      HG11   CG1       single      1.059    0.020
 DHV      HG12   CG1       single      1.059    0.020
 DHV      HG13   CG1       single      1.059    0.020
 DHV      HG21   CG2       single      1.059    0.020
 DHV      HG22   CG2       single      1.059    0.020
 DHV      HG23   CG2       single      1.059    0.020
 DHV      HOG3   OG3       single      0.967    0.020
 DHV      HN1    N         single      1.010    0.020
 DHV      HN2    N         single      1.010    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
 DHV      HN1    N      HN2     120.000    3.000
 DHV      HN1    N      CA      120.000    3.000
 DHV      HN2    N      CA      120.000    3.000
 DHV      N      CA     HA      109.470    3.000
 DHV      N      CA     CB      109.500    3.000
 DHV      N      CA     C       109.470    3.000
 DHV      HA     CA     CB      108.340    3.000
 DHV      HA     CA     C       108.810    3.000
 DHV      CB     CA     C       109.470    3.000
 DHV      CA     CB     OG3     109.470    3.000
 DHV      CA     CB     CG2     111.000    3.000
 DHV      CA     CB     CG1     111.000    3.000
 DHV      OG3    CB     CG2     109.470    3.000
 DHV      OG3    CB     CG1     109.470    3.000
 DHV      CG2    CB     CG1     111.000    3.000
 DHV      CB     OG3    HOG3    109.470    3.000
 DHV      CB     CG2    HG23    109.470    3.000
 DHV      CB     CG2    HG22    109.470    3.000
 DHV      CB     CG2    HG21    109.470    3.000
 DHV      HG23   CG2    HG22    109.470    3.000
 DHV      HG23   CG2    HG21    109.470    3.000
 DHV      HG22   CG2    HG21    109.470    3.000
 DHV      CB     CG1    HG13    109.470    3.000
 DHV      CB     CG1    HG12    109.470    3.000
 DHV      CB     CG1    HG11    109.470    3.000
 DHV      HG13   CG1    HG12    109.470    3.000
 DHV      HG13   CG1    HG11    109.470    3.000
 DHV      HG12   CG1    HG11    109.470    3.000
 DHV      CA     C      O       118.500    3.000
 DHV      CA     C      OXT     118.500    3.000
 DHV      O      C      OXT     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
 DHV      var_1    HN2    N      CA     C        175.000   20.000   1
 DHV      var_2    N      CA     CB     CG1       59.983   20.000   1
 DHV      var_3    CA     CB     OG3    HOG3    -179.970   20.000   1
 DHV      var_4    CA     CB     CG2    HG21      60.018   20.000   1
 DHV      var_5    CA     CB     CG1    HG11      60.035   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
 DHV      chir_01  CA     N      CB     C         positiv
 DHV      chir_02  CB     CA     CG1    CG2       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
 DHV      plan-1    N         0.020
 DHV      plan-1    CA        0.020
 DHV      plan-1    HN1       0.020
 DHV      plan-1    HN2       0.020
 DHV      plan-2    C         0.020
 DHV      plan-2    CA        0.020
 DHV      plan-2    O         0.020
 DHV      plan-2    OXT       0.020
# ------------------------------------------------------
