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
VOL      VOL 'L-VALINOL                           ' non-polymer        20   7 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_VOL
#
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
 VOL           OH     O    OH1       0.000      0.000    0.000    0.000
 VOL           HH     H    H         0.000      0.894   -0.082    0.358
 VOL           CH2    C    CH2       0.000     -0.926    0.182    1.072
 VOL           HH1    H    H         0.000     -0.668    1.088    1.624
 VOL           HH2    H    H         0.000     -0.878   -0.678    1.743
 VOL           CA     C    CH1       0.000     -2.342    0.313    0.510
 VOL           HA     H    H         0.000     -2.389    1.179   -0.165
 VOL           N      N    NH2       0.000     -2.687   -0.905   -0.233
 VOL           HN2    H    H         0.000     -2.920   -0.855   -1.218
 VOL           HN1    H    H         0.000     -2.696   -1.804    0.234
 VOL           CB     C    CH1       0.000     -3.332    0.508    1.658
 VOL           HB     H    H         0.000     -3.073    1.420    2.214
 VOL           CG2    C    CH3       0.000     -3.266   -0.696    2.598
 VOL           H23    H    H         0.000     -2.286   -0.787    2.989
 VOL           H22    H    H         0.000     -3.952   -0.562    3.394
 VOL           H21    H    H         0.000     -3.515   -1.577    2.064
 VOL           CG1    C    CH3       0.000     -4.748    0.639    1.095
 VOL           HG3    H    H         0.000     -4.794    1.474    0.444
 VOL           HG2    H    H         0.000     -4.999   -0.239    0.558
 VOL           HG1    H    H         0.000     -5.435    0.774    1.890
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
 VOL      OH     n/a    CH2    START
 VOL      HH     OH     .      .
 VOL      CH2    OH     CA     .
 VOL      HH1    CH2    .      .
 VOL      HH2    CH2    .      .
 VOL      CA     CH2    CB     .
 VOL      HA     CA     .      .
 VOL      N      CA     HN1    .
 VOL      HN2    N      .      .
 VOL      HN1    N      .      .
 VOL      CB     CA     CG1    .
 VOL      HB     CB     .      .
 VOL      CG2    CB     H21    .
 VOL      H23    CG2    .      .
 VOL      H22    CG2    .      .
 VOL      H21    CG2    .      .
 VOL      CG1    CB     HG1    .
 VOL      HG3    CG1    .      .
 VOL      HG2    CG1    .      .
 VOL      HG1    CG1    .      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
 VOL      N      CA        single      1.450    0.020
 VOL      HN1    N         single      1.010    0.020
 VOL      HN2    N         single      1.010    0.020
 VOL      CB     CA        single      1.524    0.020
 VOL      CA     CH2       single      1.524    0.020
 VOL      HA     CA        single      1.099    0.020
 VOL      CG1    CB        single      1.524    0.020
 VOL      CG2    CB        single      1.524    0.020
 VOL      HB     CB        single      1.099    0.020
 VOL      HG1    CG1       single      1.059    0.020
 VOL      HG2    CG1       single      1.059    0.020
 VOL      HG3    CG1       single      1.059    0.020
 VOL      H21    CG2       single      1.059    0.020
 VOL      H22    CG2       single      1.059    0.020
 VOL      H23    CG2       single      1.059    0.020
 VOL      CH2    OH        single      1.432    0.020
 VOL      HH1    CH2       single      1.092    0.020
 VOL      HH2    CH2       single      1.092    0.020
 VOL      HH     OH        single      0.967    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
 VOL      HH     OH     CH2     109.470    3.000
 VOL      OH     CH2    HH1     109.470    3.000
 VOL      OH     CH2    HH2     109.470    3.000
 VOL      OH     CH2    CA      109.470    3.000
 VOL      HH1    CH2    HH2     107.900    3.000
 VOL      HH1    CH2    CA      109.470    3.000
 VOL      HH2    CH2    CA      109.470    3.000
 VOL      CH2    CA     HA      108.340    3.000
 VOL      CH2    CA     N       109.470    3.000
 VOL      CH2    CA     CB      111.000    3.000
 VOL      HA     CA     N       109.470    3.000
 VOL      HA     CA     CB      108.340    3.000
 VOL      N      CA     CB      109.470    3.000
 VOL      CA     N      HN2     120.000    3.000
 VOL      CA     N      HN1     120.000    3.000
 VOL      HN2    N      HN1     120.000    3.000
 VOL      CA     CB     HB      108.340    3.000
 VOL      CA     CB     CG2     111.000    3.000
 VOL      CA     CB     CG1     111.000    3.000
 VOL      HB     CB     CG2     108.340    3.000
 VOL      HB     CB     CG1     108.340    3.000
 VOL      CG2    CB     CG1     111.000    3.000
 VOL      CB     CG2    H23     109.470    3.000
 VOL      CB     CG2    H22     109.470    3.000
 VOL      CB     CG2    H21     109.470    3.000
 VOL      H23    CG2    H22     109.470    3.000
 VOL      H23    CG2    H21     109.470    3.000
 VOL      H22    CG2    H21     109.470    3.000
 VOL      CB     CG1    HG3     109.470    3.000
 VOL      CB     CG1    HG2     109.470    3.000
 VOL      CB     CG1    HG1     109.470    3.000
 VOL      HG3    CG1    HG2     109.470    3.000
 VOL      HG3    CG1    HG1     109.470    3.000
 VOL      HG2    CG1    HG1     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
 VOL      var_1    HH     OH     CH2    CA      -179.988   20.000   1
 VOL      var_2    OH     CH2    CA     CB       179.988   20.000   3
 VOL      var_3    CH2    CA     N      HN1       60.073   20.000   1
 VOL      var_4    CH2    CA     CB     CG1      179.959   20.000   3
 VOL      var_5    CA     CB     CG2    H21      -60.003   20.000   3
 VOL      var_6    CA     CB     CG1    HG1      179.988   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
 VOL      chir_01  CA     N      CB     CH2       negativ
 VOL      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
 VOL      plan-1    N         0.020
 VOL      plan-1    CA        0.000
 VOL      plan-1    HN1       0.000
 VOL      plan-1    HN2       0.000
# ------------------------------------------------------
