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
DYH      DYH '"(2R,3aR,6S,7R,7aR)-2-[(2S)-2-amino-' non-polymer        39  21 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_DYH
#
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
 DYH           O      O    OC       -0.500      0.000    0.000    0.000
 DYH           C      C    C         0.000     -0.915    0.852   -0.027
 DYH           OXT    O    OC       -0.500     -0.661    2.035   -0.343
 DYH           CA     C    CH1       0.000     -2.326    0.453    0.322
 DYH           HA     H    H         0.000     -2.311   -0.244    1.172
 DYH           N      N    NH2       0.000     -3.098    1.650    0.684
 DYH           HNA    H    H         0.000     -3.888    1.939    0.119
 DYH           HN     H    H         0.000     -2.846    2.194    1.500
 DYH           CB     C    CH2       0.000     -2.977   -0.228   -0.884
 DYH           HB     H    H         0.000     -2.355   -1.063   -1.210
 DYH           HBA    H    H         0.000     -3.073    0.492   -1.700
 DYH           CAK    C    CT        0.000     -4.363   -0.744   -0.492
 DYH           CAS    C    CH2       0.000     -4.976   -1.543   -1.664
 DYH           HASA   H    H         0.000     -4.899   -2.624   -1.531
 DYH           HAS    H    H         0.000     -4.558   -1.266   -2.634
 DYH           CAE    C    C         0.000     -4.257   -1.624    0.727
 DYH           OAF    O    OC       -0.500     -4.184   -2.866    0.597
 DYH           OAB    O    OC       -0.500     -4.244   -1.112    1.869
 DYH           OAJ    O    O2        0.000     -5.236    0.362   -0.220
 DYH           CAI    C    CH1       0.000     -6.320    0.351   -1.151
 DYH           HAI    H    H         0.000     -6.043    0.961   -2.022
 DYH           CAH    C    CH1       0.000     -7.601    0.903   -0.556
 DYH           HAH    H    H         0.000     -8.353    1.008   -1.351
 DYH           NH     N    NH1       0.000     -7.332    2.221    0.034
 DYH           HNH    H    H         0.000     -6.431    2.521    0.379
 DYH           CAA    C    CH3       0.000     -8.549    3.044    0.058
 DYH           HAAB   H    H         0.000     -8.906    3.183   -0.931
 DYH           HAAA   H    H         0.000     -9.296    2.561    0.635
 DYH           HAA    H    H         0.000     -8.332    3.989    0.487
 DYH           CAR    C    CH1       0.000     -6.474   -1.115   -1.601
 DYH           HAR    H    H         0.000     -6.988   -1.214   -2.568
 DYH           OAQ    O    O2        0.000     -7.078   -1.895   -0.569
 DYH           CAP    C    CH2       0.000     -8.338   -1.423   -0.097
 DYH           HAP    H    H         0.000     -8.733   -2.108    0.656
 DYH           HAPA   H    H         0.000     -9.042   -1.351   -0.928
 DYH           CAG    C    CH1       0.000     -8.138   -0.036    0.527
 DYH           HAG    H    H         0.000     -9.098    0.343    0.903
 DYH           OAC    O    OH1       0.000     -7.200   -0.121    1.601
 DYH           HOAC   H    H         0.000     -7.543   -0.715    2.282
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
 DYH      O      n/a    C      START
 DYH      C      O      CA     .
 DYH      OXT    C      .      .
 DYH      CA     C      CB     .
 DYH      HA     CA     .      .
 DYH      N      CA     HN     .
 DYH      HNA    N      .      .
 DYH      HN     N      .      .
 DYH      CB     CA     CAK    .
 DYH      HB     CB     .      .
 DYH      HBA    CB     .      .
 DYH      CAK    CB     OAJ    .
 DYH      CAS    CAK    HAS    .
 DYH      HASA   CAS    .      .
 DYH      HAS    CAS    .      .
 DYH      CAE    CAK    OAB    .
 DYH      OAF    CAE    .      .
 DYH      OAB    CAE    .      .
 DYH      OAJ    CAK    CAI    .
 DYH      CAI    OAJ    CAR    .
 DYH      HAI    CAI    .      .
 DYH      CAH    CAI    NH     .
 DYH      HAH    CAH    .      .
 DYH      NH     CAH    CAA    .
 DYH      HNH    NH     .      .
 DYH      CAA    NH     HAA    .
 DYH      HAAB   CAA    .      .
 DYH      HAAA   CAA    .      .
 DYH      HAA    CAA    .      .
 DYH      CAR    CAI    OAQ    .
 DYH      HAR    CAR    .      .
 DYH      OAQ    CAR    CAP    .
 DYH      CAP    OAQ    CAG    .
 DYH      HAP    CAP    .      .
 DYH      HAPA   CAP    .      .
 DYH      CAG    CAP    OAC    .
 DYH      HAG    CAG    .      .
 DYH      OAC    CAG    HOAC   .
 DYH      HOAC   OAC    .      END
 DYH      CAH    CAG    .    ADD
 DYH      CAR    CAS    .    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
 DYH      CAA    NH        single      1.450    0.020
 DYH      NH     CAH       single      1.450    0.020
 DYH      CAH    CAG       single      1.524    0.020
 DYH      CAH    CAI       single      1.524    0.020
 DYH      OAC    CAG       single      1.432    0.020
 DYH      CAG    CAP       single      1.524    0.020
 DYH      CAP    OAQ       single      1.426    0.020
 DYH      OAQ    CAR       single      1.426    0.020
 DYH      CAR    CAS       single      1.524    0.020
 DYH      CAR    CAI       single      1.524    0.020
 DYH      CAS    CAK       single      1.524    0.020
 DYH      CAI    OAJ       single      1.426    0.020
 DYH      OAJ    CAK       single      1.426    0.020
 DYH      CAE    CAK       single      1.507    0.020
 DYH      CAK    CB        single      1.524    0.020
 DYH      OAB    CAE       deloc       1.250    0.020
 DYH      OAF    CAE       deloc       1.250    0.020
 DYH      CB     CA        single      1.524    0.020
 DYH      CA     C         single      1.500    0.020
 DYH      N      CA        single      1.450    0.020
 DYH      OXT    C         deloc       1.250    0.020
 DYH      C      O         deloc       1.250    0.020
 DYH      HAA    CAA       single      1.059    0.020
 DYH      HAAA   CAA       single      1.059    0.020
 DYH      HAAB   CAA       single      1.059    0.020
 DYH      HNH    NH        single      1.010    0.020
 DYH      HAH    CAH       single      1.099    0.020
 DYH      HAG    CAG       single      1.099    0.020
 DYH      HOAC   OAC       single      0.967    0.020
 DYH      HAP    CAP       single      1.092    0.020
 DYH      HAPA   CAP       single      1.092    0.020
 DYH      HAR    CAR       single      1.099    0.020
 DYH      HAS    CAS       single      1.092    0.020
 DYH      HASA   CAS       single      1.092    0.020
 DYH      HAI    CAI       single      1.099    0.020
 DYH      HB     CB        single      1.092    0.020
 DYH      HBA    CB        single      1.092    0.020
 DYH      HA     CA        single      1.099    0.020
 DYH      HN     N         single      1.010    0.020
 DYH      HNA    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
 DYH      O      C      OXT     123.000    3.000
 DYH      O      C      CA      118.500    3.000
 DYH      OXT    C      CA      118.500    3.000
 DYH      C      CA     HA      108.810    3.000
 DYH      C      CA     N       109.470    3.000
 DYH      C      CA     CB      109.470    3.000
 DYH      HA     CA     N       109.470    3.000
 DYH      HA     CA     CB      108.340    3.000
 DYH      N      CA     CB      109.470    3.000
 DYH      CA     N      HNA     120.000    3.000
 DYH      CA     N      HN      120.000    3.000
 DYH      HNA    N      HN      120.000    3.000
 DYH      CA     CB     HB      109.470    3.000
 DYH      CA     CB     HBA     109.470    3.000
 DYH      CA     CB     CAK     111.000    3.000
 DYH      HB     CB     HBA     107.900    3.000
 DYH      HB     CB     CAK     109.470    3.000
 DYH      HBA    CB     CAK     109.470    3.000
 DYH      CB     CAK    CAS     111.000    3.000
 DYH      CB     CAK    CAE     109.470    3.000
 DYH      CB     CAK    OAJ     109.470    3.000
 DYH      CAS    CAK    CAE     109.470    3.000
 DYH      CAS    CAK    OAJ     109.470    3.000
 DYH      CAE    CAK    OAJ     109.470    3.000
 DYH      CAK    CAS    HASA    109.470    3.000
 DYH      CAK    CAS    HAS     109.470    3.000
 DYH      CAK    CAS    CAR     111.000    3.000
 DYH      HASA   CAS    HAS     107.900    3.000
 DYH      HASA   CAS    CAR     109.470    3.000
 DYH      HAS    CAS    CAR     109.470    3.000
 DYH      CAK    CAE    OAF     118.500    3.000
 DYH      CAK    CAE    OAB     118.500    3.000
 DYH      OAF    CAE    OAB     123.000    3.000
 DYH      CAK    OAJ    CAI     111.800    3.000
 DYH      OAJ    CAI    HAI     109.470    3.000
 DYH      OAJ    CAI    CAH     109.470    3.000
 DYH      OAJ    CAI    CAR     109.470    3.000
 DYH      HAI    CAI    CAH     108.340    3.000
 DYH      HAI    CAI    CAR     108.340    3.000
 DYH      CAH    CAI    CAR     111.000    3.000
 DYH      CAI    CAH    HAH     108.340    3.000
 DYH      CAI    CAH    NH      110.000    3.000
 DYH      CAI    CAH    CAG     111.000    3.000
 DYH      HAH    CAH    NH      108.550    3.000
 DYH      HAH    CAH    CAG     108.340    3.000
 DYH      NH     CAH    CAG     110.000    3.000
 DYH      CAH    NH     HNH     118.500    3.000
 DYH      CAH    NH     CAA     120.000    3.000
 DYH      HNH    NH     CAA     118.500    3.000
 DYH      NH     CAA    HAAB    109.470    3.000
 DYH      NH     CAA    HAAA    109.470    3.000
 DYH      NH     CAA    HAA     109.470    3.000
 DYH      HAAB   CAA    HAAA    109.470    3.000
 DYH      HAAB   CAA    HAA     109.470    3.000
 DYH      HAAA   CAA    HAA     109.470    3.000
 DYH      CAI    CAR    HAR     108.340    3.000
 DYH      CAI    CAR    OAQ     109.470    3.000
 DYH      CAI    CAR    CAS     111.000    3.000
 DYH      HAR    CAR    OAQ     109.470    3.000
 DYH      HAR    CAR    CAS     108.340    3.000
 DYH      OAQ    CAR    CAS     109.470    3.000
 DYH      CAR    OAQ    CAP     111.800    3.000
 DYH      OAQ    CAP    HAP     109.470    3.000
 DYH      OAQ    CAP    HAPA    109.470    3.000
 DYH      OAQ    CAP    CAG     109.470    3.000
 DYH      HAP    CAP    HAPA    107.900    3.000
 DYH      HAP    CAP    CAG     109.470    3.000
 DYH      HAPA   CAP    CAG     109.470    3.000
 DYH      CAP    CAG    HAG     108.340    3.000
 DYH      CAP    CAG    OAC     109.470    3.000
 DYH      CAP    CAG    CAH     111.000    3.000
 DYH      HAG    CAG    OAC     109.470    3.000
 DYH      HAG    CAG    CAH     108.340    3.000
 DYH      OAC    CAG    CAH     109.470    3.000
 DYH      CAG    OAC    HOAC    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
 DYH      var_1    O      C      CA     CB       -80.043   20.000   3
 DYH      var_2    C      CA     N      HN       -63.976   20.000   1
 DYH      var_3    C      CA     CB     CAK      174.981   20.000   3
 DYH      var_4    CA     CB     CAK    OAJ       67.009   20.000   1
 DYH      var_5    CB     CAK    CAS    CAR     -150.000   20.000   1
 DYH      var_6    CB     CAK    CAE    OAB       84.061   20.000   1
 DYH      var_7    CB     CAK    OAJ    CAI      120.000   20.000   1
 DYH      var_8    CAK    OAJ    CAI    CAR       30.000   20.000   1
 DYH      var_9    OAJ    CAI    CAH    NH        60.000   20.000   3
 DYH      var_10   CAI    CAH    CAG    CAP      -60.000   20.000   3
 DYH      var_11   CAI    CAH    NH     CAA      153.932   20.000   3
 DYH      var_12   CAH    NH     CAA    HAA     -179.988   20.000   1
 DYH      var_13   OAJ    CAI    CAR    OAQ       60.000   20.000   3
 DYH      var_14   CAI    CAR    CAS    CAK       30.000   20.000   3
 DYH      var_15   CAI    CAR    OAQ    CAP       60.000   20.000   1
 DYH      var_16   CAR    OAQ    CAP    CAG      -60.000   20.000   1
 DYH      var_17   OAQ    CAP    CAG    OAC      -60.000   20.000   3
 DYH      var_18   CAP    CAG    OAC    HOAC     -61.255   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
 DYH      chir_01  CAH    NH     CAG    CAI       positiv
 DYH      chir_02  CAG    CAH    OAC    CAP       positiv
 DYH      chir_03  CAR    OAQ    CAS    CAI       positiv
 DYH      chir_04  CAI    CAH    CAR    OAJ       positiv
 DYH      chir_05  CAK    CAS    OAJ    CAE       negativ
 DYH      chir_06  CA     CB     C      N         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
 DYH      plan-1    NH        0.020
 DYH      plan-1    CAA       0.020
 DYH      plan-1    CAH       0.020
 DYH      plan-1    HNH       0.020
 DYH      plan-2    CAE       0.020
 DYH      plan-2    CAK       0.020
 DYH      plan-2    OAB       0.020
 DYH      plan-2    OAF       0.020
 DYH      plan-3    C         0.020
 DYH      plan-3    CA        0.020
 DYH      plan-3    OXT       0.020
 DYH      plan-3    O         0.020
 DYH      plan-4    N         0.020
 DYH      plan-4    CA        0.020
 DYH      plan-4    HN        0.020
 DYH      plan-4    HNA       0.020
# ------------------------------------------------------
