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
5OH      5OH '"(2S)-amino[(4R,6S)-2-amino-6-hydrox' peptide            24  13 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_5OH
#
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
 5OH           N      N    NH2       0.000      0.000    0.000    0.000
 5OH           HN1    H    H         0.000      0.932   -0.372   -0.141
 5OH           HN2    H    H         0.000     -0.115    0.983    0.217
 5OH           CA     C    CH1       0.000     -1.174   -0.877   -0.109
 5OH           HA     H    H         0.000     -1.667   -0.952    0.870
 5OH           CB     C    CH1       0.000     -2.153   -0.296   -1.131
 5OH           HP     H    H         0.000     -1.697   -0.301   -2.131
 5OH           CR     C    CH2       0.000     -3.447   -1.122   -1.143
 5OH           HR     H    H         0.000     -3.224   -2.159   -1.406
 5OH           HRA    H    H         0.000     -4.148   -0.706   -1.870
 5OH           CS     C    CH1       0.000     -4.068   -1.071    0.254
 5OH           HS     H    H         0.000     -3.451   -1.661    0.946
 5OH           OS     O    OH1       0.000     -5.384   -1.626    0.206
 5OH           HOS    H    H         0.000     -5.772   -1.610    1.091
 5OH           NR     N    N         0.000     -4.144    0.305    0.732
 5OH           CQ     C    C         0.000     -3.418    1.268    0.264
 5OH           NQ     N    NH2       0.000     -3.558    2.525    0.803
 5OH           HNQ2   H    H         0.000     -4.220    2.699    1.557
 5OH           HNQ1   H    H         0.000     -3.002    3.305    0.458
 5OH           NP     N    NH1       0.000     -2.512    1.079   -0.752
 5OH           HNP    H    H         0.000     -2.101    1.869   -1.229
 5OH           C      C    C         0.000     -0.736   -2.248   -0.557
 5OH           O      O    OC       -0.500      0.367   -2.398   -1.129
 5OH           OXT    O    OC       -0.500     -1.477   -3.237   -0.363
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
 5OH      N      n/a    CA     START
 5OH      HN1    N      .      .
 5OH      HN2    N      .      .
 5OH      CA     N      C      .
 5OH      HA     CA     .      .
 5OH      CB     CA     CR     .
 5OH      HP     CB     .      .
 5OH      CR     CB     CS     .
 5OH      HR     CR     .      .
 5OH      HRA    CR     .      .
 5OH      CS     CR     NR     .
 5OH      HS     CS     .      .
 5OH      OS     CS     HOS    .
 5OH      HOS    OS     .      .
 5OH      NR     CS     CQ     .
 5OH      CQ     NR     NP     .
 5OH      NQ     CQ     HNQ1   .
 5OH      HNQ2   NQ     .      .
 5OH      HNQ1   NQ     .      .
 5OH      NP     CQ     HNP    .
 5OH      HNP    NP     .      .
 5OH      C      CA     .      END
 5OH      O      C      .      .
 5OH      OXT    C      .      .
 5OH      CB     NP     .    ADD
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
 5OH      C      CA        single      1.500    0.020
 5OH      OXT    C         deloc       1.250    0.020
 5OH      CA     N         single      1.450    0.020
 5OH      O      C         deloc       1.250    0.020
 5OH      CB     CA        single      1.524    0.020
 5OH      HA     CA        single      1.099    0.020
 5OH      CR     CB        single      1.524    0.020
 5OH      HP     CB        single      1.099    0.020
 5OH      CB     NP        single      1.450    0.020
 5OH      NP     CQ        single      1.330    0.020
 5OH      CQ     NR        double      1.260    0.020
 5OH      NQ     CQ        single      1.332    0.020
 5OH      HR     CR        single      1.092    0.020
 5OH      HRA    CR        single      1.092    0.020
 5OH      NR     CS        single      1.455    0.020
 5OH      CS     CR        single      1.524    0.020
 5OH      OS     CS        single      1.432    0.020
 5OH      HS     CS        single      1.099    0.020
 5OH      HOS    OS        single      0.967    0.020
 5OH      HN1    N         single      1.010    0.020
 5OH      HN2    N         single      1.010    0.020
 5OH      HNP    NP        single      1.010    0.020
 5OH      HNQ1   NQ        single      1.010    0.020
 5OH      HNQ2   NQ        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
 5OH      HN1    N      HN2     120.000    3.000
 5OH      HN1    N      CA      120.000    3.000
 5OH      HN2    N      CA      120.000    3.000
 5OH      N      CA     HA      109.470    3.000
 5OH      N      CA     CB      109.470    3.000
 5OH      N      CA     C       109.470    3.000
 5OH      HA     CA     CB      108.340    3.000
 5OH      HA     CA     C       108.810    3.000
 5OH      CB     CA     C       109.470    3.000
 5OH      CA     CB     HP      108.340    3.000
 5OH      CA     CB     CR      111.000    3.000
 5OH      CA     CB     NP      110.000    3.000
 5OH      HP     CB     CR      108.340    3.000
 5OH      HP     CB     NP      108.550    3.000
 5OH      CR     CB     NP      110.000    3.000
 5OH      CB     CR     HR      109.470    3.000
 5OH      CB     CR     HRA     109.470    3.000
 5OH      CB     CR     CS      111.000    3.000
 5OH      HR     CR     HRA     107.900    3.000
 5OH      HR     CR     CS      109.470    3.000
 5OH      HRA    CR     CS      109.470    3.000
 5OH      CR     CS     HS      108.340    3.000
 5OH      CR     CS     OS      109.470    3.000
 5OH      CR     CS     NR      105.000    3.000
 5OH      HS     CS     OS      109.470    3.000
 5OH      HS     CS     NR      109.470    3.000
 5OH      OS     CS     NR      109.500    3.000
 5OH      CS     OS     HOS     109.470    3.000
 5OH      CS     NR     CQ      121.000    3.000
 5OH      NR     CQ     NQ      120.000    3.000
 5OH      NR     CQ     NP      120.000    3.000
 5OH      NQ     CQ     NP      120.000    3.000
 5OH      CQ     NQ     HNQ2    120.000    3.000
 5OH      CQ     NQ     HNQ1    120.000    3.000
 5OH      HNQ2   NQ     HNQ1    120.000    3.000
 5OH      CQ     NP     HNP     120.000    3.000
 5OH      CQ     NP     CB      121.500    3.000
 5OH      HNP    NP     CB      118.500    3.000
 5OH      CA     C      O       118.500    3.000
 5OH      CA     C      OXT     118.500    3.000
 5OH      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
 5OH      var_1    HN2    N      CA     C        175.000   20.000   1
 5OH      var_2    N      CA     CB     CR      -173.971   20.000   3
 5OH      var_3    CA     CB     NP     CQ       -90.000   20.000   3
 5OH      var_4    CA     CB     CR     CS        60.000   20.000   3
 5OH      var_5    CB     CR     CS     NR        60.000   20.000   3
 5OH      var_6    CR     CS     OS     HOS      178.918   20.000   1
 5OH      var_7    CR     CS     NR     CQ       -30.000   20.000   3
 5OH      CONST_1  CS     NR     CQ     NP         0.000    0.000   0
 5OH      CONST_2  NR     CQ     NQ     HNQ1     180.000    0.000   0
 5OH      CONST_3  NR     CQ     NP     CB         0.000    0.000   0
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
 5OH      chir_01  CA     C      N      CB        negativ
 5OH      chir_02  CB     CA     NP     CR        positiv
 5OH      chir_03  CS     CR     NR     OS        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
 5OH      plan-1    C         0.020
 5OH      plan-1    O         0.020
 5OH      plan-1    CA        0.020
 5OH      plan-1    OXT       0.020
 5OH      plan-2    N         0.020
 5OH      plan-2    CA        0.020
 5OH      plan-2    HN1       0.020
 5OH      plan-2    HN2       0.020
 5OH      plan-3    NP        0.020
 5OH      plan-3    CB        0.020
 5OH      plan-3    CQ        0.020
 5OH      plan-3    HNP       0.020
 5OH      plan-4    CQ        0.020
 5OH      plan-4    NP        0.020
 5OH      plan-4    NQ        0.020
 5OH      plan-4    NR        0.020
 5OH      plan-4    HNP       0.020
 5OH      plan-4    HNQ2      0.020
 5OH      plan-4    HNQ1      0.020
 5OH      plan-5    NQ        0.020
 5OH      plan-5    CQ        0.020
 5OH      plan-5    HNQ1      0.020
 5OH      plan-5    HNQ2      0.020
 5OH      plan-6    NR        0.020
 5OH      plan-6    CQ        0.020
 5OH      plan-6    CS        0.020
# ------------------------------------------------------
