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
FHO      FHO 'N^5^-FORMYL-N^5^-HYDROXY-L-ORNITHINE' peptide            23  12 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_FHO
#
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
 FHO           N      N    NH2       0.000      0.000    0.000    0.000
 FHO           HN1    H    H         0.000      0.934    0.126   -0.372
 FHO           HN2    H    H         0.000     -0.494    0.798    0.382
 FHO           CA     C    CH1       0.000     -0.631   -1.327   -0.014
 FHO           HA     H    H         0.000     -0.785   -1.670    1.019
 FHO           CB     C    CH2       0.000     -1.981   -1.241   -0.729
 FHO           HB1C   H    H         0.000     -2.409   -2.242   -0.819
 FHO           HB2C   H    H         0.000     -1.839   -0.816   -1.725
 FHO           CG     C    CH2       0.000     -2.930   -0.350    0.077
 FHO           HG1C   H    H         0.000     -2.500    0.650    0.168
 FHO           HG2C   H    H         0.000     -3.070   -0.776    1.073
 FHO           CD     C    CH2       0.000     -4.279   -0.265   -0.637
 FHO           HD1C   H    H         0.000     -4.707   -1.266   -0.727
 FHO           HD2C   H    H         0.000     -4.137    0.159   -1.633
 FHO           NE     N    N         0.000     -5.186    0.588    0.134
 FHO           OZ     O    OH1       0.000     -6.232    0.006    0.893
 FHO           H2     H    H         0.000     -6.737    0.700    1.341
 FHO           CZ     C    C1        0.000     -5.027    1.926    0.121
 FHO           HZ     H    H         0.000     -4.233    2.368   -0.456
 FHO           OH     O    O         0.000     -5.779    2.632    0.760
 FHO           C      C    C         0.000      0.262   -2.300   -0.740
 FHO           O      O    OC       -0.500      1.140   -1.877   -1.525
 FHO           OXT    O    OC       -0.500      0.123   -3.530   -0.560
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
 FHO      N      n/a    CA     START
 FHO      HN1    N      .      .
 FHO      HN2    N      .      .
 FHO      CA     N      C      .
 FHO      HA     CA     .      .
 FHO      CB     CA     CG     .
 FHO      HB1C   CB     .      .
 FHO      HB2C   CB     .      .
 FHO      CG     CB     CD     .
 FHO      HG1C   CG     .      .
 FHO      HG2C   CG     .      .
 FHO      CD     CG     NE     .
 FHO      HD1C   CD     .      .
 FHO      HD2C   CD     .      .
 FHO      NE     CD     CZ     .
 FHO      OZ     NE     H2     .
 FHO      H2     OZ     .      .
 FHO      CZ     NE     OH     .
 FHO      HZ     CZ     .      .
 FHO      OH     CZ     .      .
 FHO      C      CA     .      END
 FHO      O      C      .      .
 FHO      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
 FHO      CA     N         single      1.450    0.020
 FHO      CB     CA        single      1.524    0.020
 FHO      C      CA        single      1.500    0.020
 FHO      CG     CB        single      1.524    0.020
 FHO      CD     CG        single      1.524    0.020
 FHO      NE     CD        single      1.455    0.020
 FHO      OZ     NE        single      1.392    0.020
 FHO      CZ     NE        single      1.260    0.020
 FHO      OH     CZ        double      1.220    0.020
 FHO      O      C         deloc       1.250    0.020
 FHO      OXT    C         deloc       1.250    0.020
 FHO      HA     CA        single      1.099    0.020
 FHO      HB1C   CB        single      1.092    0.020
 FHO      HB2C   CB        single      1.092    0.020
 FHO      HG1C   CG        single      1.092    0.020
 FHO      HG2C   CG        single      1.092    0.020
 FHO      HD1C   CD        single      1.092    0.020
 FHO      HD2C   CD        single      1.092    0.020
 FHO      HZ     CZ        single      1.077    0.020
 FHO      H2     OZ        single      0.967    0.020
 FHO      HN1    N         single      1.010    0.020
 FHO      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
 FHO      HN1    N      HN2     120.000    3.000
 FHO      HN1    N      CA      120.000    3.000
 FHO      HN2    N      CA      120.000    3.000
 FHO      N      CA     HA      109.470    3.000
 FHO      N      CA     CB      109.470    3.000
 FHO      N      CA     C       109.470    3.000
 FHO      HA     CA     CB      108.340    3.000
 FHO      HA     CA     C       108.810    3.000
 FHO      CB     CA     C       109.470    3.000
 FHO      CA     CB     HB1C    109.470    3.000
 FHO      CA     CB     HB2C    109.470    3.000
 FHO      CA     CB     CG      111.000    3.000
 FHO      HB1C   CB     HB2C    107.900    3.000
 FHO      HB1C   CB     CG      109.470    3.000
 FHO      HB2C   CB     CG      109.470    3.000
 FHO      CB     CG     HG1C    109.470    3.000
 FHO      CB     CG     HG2C    109.470    3.000
 FHO      CB     CG     CD      111.000    3.000
 FHO      HG1C   CG     HG2C    107.900    3.000
 FHO      HG1C   CG     CD      109.470    3.000
 FHO      HG2C   CG     CD      109.470    3.000
 FHO      CG     CD     HD1C    109.470    3.000
 FHO      CG     CD     HD2C    109.470    3.000
 FHO      CG     CD     NE      105.000    3.000
 FHO      HD1C   CD     HD2C    107.900    3.000
 FHO      HD1C   CD     NE      109.470    3.000
 FHO      HD2C   CD     NE      109.470    3.000
 FHO      CD     NE     OZ      120.000    3.000
 FHO      CD     NE     CZ      120.000    3.000
 FHO      OZ     NE     CZ      120.000    3.000
 FHO      NE     OZ     H2      109.470    3.000
 FHO      NE     CZ     HZ      120.000    3.000
 FHO      NE     CZ     OH      120.000    3.000
 FHO      HZ     CZ     OH      123.000    3.000
 FHO      CA     C      O       118.500    3.000
 FHO      CA     C      OXT     118.500    3.000
 FHO      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
 FHO      var_1    HN2    N      CA     C        175.000   20.000   1
 FHO      var_2    N      CA     CB     CG       -65.062   20.000   3
 FHO      var_3    CA     CB     CG     CD      -179.979   20.000   3
 FHO      var_4    CB     CG     CD     NE      -179.973   20.000   3
 FHO      var_5    CG     CD     NE     CZ        75.024   20.000   1
 FHO      var_6    CD     NE     OZ     H2       179.982   20.000   1
 FHO      var_7    CD     NE     CZ     OH      -179.999   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
 FHO      chir_01  CA     N      CB     C         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
 FHO      plan-1    N         0.020
 FHO      plan-1    CA        0.020
 FHO      plan-1    HN1       0.020
 FHO      plan-1    HN2       0.020
 FHO      plan-2    NE        0.020
 FHO      plan-2    CD        0.020
 FHO      plan-2    OZ        0.020
 FHO      plan-2    CZ        0.020
 FHO      plan-2    HZ        0.020
 FHO      plan-3    CZ        0.020
 FHO      plan-3    NE        0.020
 FHO      plan-3    OH        0.020
 FHO      plan-3    HZ        0.020
 FHO      plan-4    C         0.020
 FHO      plan-4    CA        0.020
 FHO      plan-4    O         0.020
 FHO      plan-4    OXT       0.020
# ------------------------------------------------------
