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
FH7      FH7 'N^5^-formyl-N^5^-hydroxy-D-ornithine' non-polymer        23  12 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_FH7
#
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
 FH7           OX0    O    OC       -0.500      0.000    0.000    0.000
 FH7           C      C    C         0.000     -0.884    0.875   -0.128
 FH7           O      O    OC       -0.500     -0.633    2.066    0.162
 FH7           CA     C    CH1       0.000     -2.253    0.497   -0.634
 FH7           HA     H    H         0.000     -2.153   -0.242   -1.442
 FH7           N      N    NH2       0.000     -2.935    1.693   -1.145
 FH7           HN2    H    H         0.000     -2.500    2.604   -1.066
 FH7           HN1    H    H         0.000     -3.847    1.615   -1.581
 FH7           CB     C    CH2       0.000     -3.070   -0.106    0.511
 FH7           HB1C   H    H         0.000     -3.244    0.655    1.274
 FH7           HB2C   H    H         0.000     -2.520   -0.941    0.950
 FH7           CG     C    CH2       0.000     -4.412   -0.606   -0.029
 FH7           HG1C   H    H         0.000     -4.237   -1.366   -0.792
 FH7           HG2C   H    H         0.000     -4.961    0.230   -0.468
 FH7           CD     C    CH2       0.000     -5.229   -1.208    1.116
 FH7           HD1C   H    H         0.000     -5.403   -0.447    1.878
 FH7           HD2C   H    H         0.000     -4.678   -2.043    1.555
 FH7           NE     N    N         0.000     -6.514   -1.687    0.600
 FH7           OZ     O    OH1       0.000     -7.697   -0.953    0.856
 FH7           H11    H    H         0.000     -8.455   -1.399    0.449
 FH7           CZ     C    C1        0.000     -6.570   -2.824   -0.120
 FH7           HZ     H    H         0.000     -5.670   -3.382   -0.316
 FH7           OH     O    O         0.000     -7.634   -3.220   -0.548
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
 FH7      OX0    n/a    C      START
 FH7      C      OX0    CA     .
 FH7      O      C      .      .
 FH7      CA     C      CB     .
 FH7      HA     CA     .      .
 FH7      N      CA     HN1    .
 FH7      HN2    N      .      .
 FH7      HN1    N      .      .
 FH7      CB     CA     CG     .
 FH7      HB1C   CB     .      .
 FH7      HB2C   CB     .      .
 FH7      CG     CB     CD     .
 FH7      HG1C   CG     .      .
 FH7      HG2C   CG     .      .
 FH7      CD     CG     NE     .
 FH7      HD1C   CD     .      .
 FH7      HD2C   CD     .      .
 FH7      NE     CD     CZ     .
 FH7      OZ     NE     H11    .
 FH7      H11    OZ     .      .
 FH7      CZ     NE     OH     .
 FH7      HZ     CZ     .      .
 FH7      OH     CZ     .      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
 FH7      N      CA        single      1.450    0.020
 FH7      CB     CA        single      1.524    0.020
 FH7      CA     C         single      1.500    0.020
 FH7      CG     CB        single      1.524    0.020
 FH7      CD     CG        single      1.524    0.020
 FH7      NE     CD        single      1.455    0.020
 FH7      OZ     NE        single      1.392    0.020
 FH7      CZ     NE        single      1.260    0.020
 FH7      OH     CZ        double      1.220    0.020
 FH7      O      C         deloc       1.250    0.020
 FH7      C      OX0       deloc       1.250    0.020
 FH7      HN1    N         single      1.010    0.020
 FH7      HN2    N         single      1.010    0.020
 FH7      HA     CA        single      1.099    0.020
 FH7      HB1C   CB        single      1.092    0.020
 FH7      HB2C   CB        single      1.092    0.020
 FH7      HG1C   CG        single      1.092    0.020
 FH7      HG2C   CG        single      1.092    0.020
 FH7      HD1C   CD        single      1.092    0.020
 FH7      HD2C   CD        single      1.092    0.020
 FH7      HZ     CZ        single      1.077    0.020
 FH7      H11    OZ        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
 FH7      OX0    C      O       123.000    3.000
 FH7      OX0    C      CA      118.500    3.000
 FH7      O      C      CA      118.500    3.000
 FH7      C      CA     HA      108.810    3.000
 FH7      C      CA     N       109.470    3.000
 FH7      C      CA     CB      109.470    3.000
 FH7      HA     CA     N       109.470    3.000
 FH7      HA     CA     CB      108.340    3.000
 FH7      N      CA     CB      109.470    3.000
 FH7      CA     N      HN2     120.000    3.000
 FH7      CA     N      HN1     120.000    3.000
 FH7      HN2    N      HN1     120.000    3.000
 FH7      CA     CB     HB1C    109.470    3.000
 FH7      CA     CB     HB2C    109.470    3.000
 FH7      CA     CB     CG      111.000    3.000
 FH7      HB1C   CB     HB2C    107.900    3.000
 FH7      HB1C   CB     CG      109.470    3.000
 FH7      HB2C   CB     CG      109.470    3.000
 FH7      CB     CG     HG1C    109.470    3.000
 FH7      CB     CG     HG2C    109.470    3.000
 FH7      CB     CG     CD      111.000    3.000
 FH7      HG1C   CG     HG2C    107.900    3.000
 FH7      HG1C   CG     CD      109.470    3.000
 FH7      HG2C   CG     CD      109.470    3.000
 FH7      CG     CD     HD1C    109.470    3.000
 FH7      CG     CD     HD2C    109.470    3.000
 FH7      CG     CD     NE      105.000    3.000
 FH7      HD1C   CD     HD2C    107.900    3.000
 FH7      HD1C   CD     NE      109.470    3.000
 FH7      HD2C   CD     NE      109.470    3.000
 FH7      CD     NE     OZ      120.000    3.000
 FH7      CD     NE     CZ      120.000    3.000
 FH7      OZ     NE     CZ      120.000    3.000
 FH7      NE     OZ     H11     109.470    3.000
 FH7      NE     CZ     HZ      120.000    3.000
 FH7      NE     CZ     OH      120.000    3.000
 FH7      HZ     CZ     OH      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
 FH7      var_1    OX0    C      CA     CB        79.998   20.000   3
 FH7      var_2    C      CA     N      HN1      176.018   20.000   1
 FH7      var_3    C      CA     CB     CG      -174.966   20.000   3
 FH7      var_4    CA     CB     CG     CD      -179.998   20.000   3
 FH7      var_5    CB     CG     CD     NE      -179.977   20.000   3
 FH7      var_6    CG     CD     NE     CZ        74.959   20.000   1
 FH7      var_7    CD     NE     OZ     H11      179.965   20.000   1
 FH7      var_8    CD     NE     CZ     OH      -179.953   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
 FH7      chir_01  CA     N      CB     C         positiv
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
 FH7      plan-1    N         0.020
 FH7      plan-1    CA        0.020
 FH7      plan-1    HN1       0.020
 FH7      plan-1    HN2       0.020
 FH7      plan-2    NE        0.020
 FH7      plan-2    CD        0.020
 FH7      plan-2    OZ        0.020
 FH7      plan-2    CZ        0.020
 FH7      plan-2    HZ        0.020
 FH7      plan-3    CZ        0.020
 FH7      plan-3    NE        0.020
 FH7      plan-3    OH        0.020
 FH7      plan-3    HZ        0.020
 FH7      plan-4    C         0.020
 FH7      plan-4    CA        0.020
 FH7      plan-4    O         0.020
 FH7      plan-4    OX0       0.020
# ------------------------------------------------------
