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
GHP      GHP '(2R)-amino(4-hydroxyphenyl)ethanoic ' peptide            20  12 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_GHP
#
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
 GHP           N      N    NH2       0.000      0.000    0.000    0.000
 GHP           HN1    H    H         0.000      0.317    0.343    0.899
 GHP           HN2    H    H         0.000      0.611    0.075   -0.805
 GHP           CA     C    CH1       0.000     -1.334   -0.601   -0.136
 GHP           HA     H    H         0.000     -1.240   -1.606   -0.571
 GHP           C1     C    CR6       0.000     -2.183    0.259   -1.035
 GHP           C6     C    CR16      0.000     -2.119    1.637   -0.935
 GHP           H6     H    H         0.000     -1.461    2.096   -0.208
 GHP           C5     C    CR16      0.000     -2.893    2.427   -1.761
 GHP           H5     H    H         0.000     -2.837    3.506   -1.688
 GHP           C4     C    CR6       0.000     -3.744    1.838   -2.685
 GHP           O4     O    OH1       0.000     -4.511    2.614   -3.496
 GHP           HO4    H    H         0.000     -5.360    2.787   -3.067
 GHP           C3     C    CR16      0.000     -3.811    0.455   -2.780
 GHP           H3     H    H         0.000     -4.474   -0.007   -3.501
 GHP           C2     C    CR16      0.000     -3.031   -0.331   -1.954
 GHP           HC2    H    H         0.000     -3.083   -1.410   -2.027
 GHP           C      C    C         0.000     -1.980   -0.701    1.222
 GHP           O      O    OC       -0.500     -1.570    0.013    2.164
 GHP           OXT    O    OC       -0.500     -2.926   -1.498    1.407
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
 GHP      N      n/a    CA     START
 GHP      HN1    N      .      .
 GHP      HN2    N      .      .
 GHP      CA     N      C      .
 GHP      HA     CA     .      .
 GHP      C1     CA     C6     .
 GHP      C6     C1     C5     .
 GHP      H6     C6     .      .
 GHP      C5     C6     C4     .
 GHP      H5     C5     .      .
 GHP      C4     C5     C3     .
 GHP      O4     C4     HO4    .
 GHP      HO4    O4     .      .
 GHP      C3     C4     C2     .
 GHP      H3     C3     .      .
 GHP      C2     C3     HC2    .
 GHP      HC2    C2     .      .
 GHP      C      CA     .      END
 GHP      O      C      .      .
 GHP      OXT    C      .      .
 GHP      C1     C2     .    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
 GHP      CA     N         single      1.450    0.020
 GHP      C      CA        single      1.500    0.020
 GHP      C1     CA        single      1.480    0.020
 GHP      HA     CA        single      1.099    0.020
 GHP      O      C         deloc       1.250    0.020
 GHP      OXT    C         deloc       1.250    0.020
 GHP      C1     C2        double      1.390    0.020
 GHP      C6     C1        single      1.390    0.020
 GHP      C2     C3        single      1.390    0.020
 GHP      HC2    C2        single      1.083    0.020
 GHP      C3     C4        double      1.390    0.020
 GHP      H3     C3        single      1.083    0.020
 GHP      O4     C4        single      1.362    0.020
 GHP      C4     C5        single      1.390    0.020
 GHP      HO4    O4        single      0.967    0.020
 GHP      C5     C6        double      1.390    0.020
 GHP      H5     C5        single      1.083    0.020
 GHP      H6     C6        single      1.083    0.020
 GHP      HN1    N         single      1.010    0.020
 GHP      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
 GHP      HN1    N      HN2     120.000    3.000
 GHP      HN1    N      CA      120.000    3.000
 GHP      HN2    N      CA      120.000    3.000
 GHP      N      CA     HA      109.470    3.000
 GHP      N      CA     C1      109.470    3.000
 GHP      N      CA     C       109.470    3.000
 GHP      HA     CA     C1      109.470    3.000
 GHP      HA     CA     C       108.810    3.000
 GHP      C1     CA     C       109.500    3.000
 GHP      CA     C1     C6      120.000    3.000
 GHP      CA     C1     C2      120.000    3.000
 GHP      C6     C1     C2      120.000    3.000
 GHP      C1     C6     H6      120.000    3.000
 GHP      C1     C6     C5      120.000    3.000
 GHP      H6     C6     C5      120.000    3.000
 GHP      C6     C5     H5      120.000    3.000
 GHP      C6     C5     C4      120.000    3.000
 GHP      H5     C5     C4      120.000    3.000
 GHP      C5     C4     O4      120.000    3.000
 GHP      C5     C4     C3      120.000    3.000
 GHP      O4     C4     C3      120.000    3.000
 GHP      C4     O4     HO4     109.470    3.000
 GHP      C4     C3     H3      120.000    3.000
 GHP      C4     C3     C2      120.000    3.000
 GHP      H3     C3     C2      120.000    3.000
 GHP      C3     C2     HC2     120.000    3.000
 GHP      C3     C2     C1      120.000    3.000
 GHP      HC2    C2     C1      120.000    3.000
 GHP      CA     C      O       118.500    3.000
 GHP      CA     C      OXT     118.500    3.000
 GHP      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
 GHP      var_1    HN2    N      CA     C        175.000   20.000   1
 GHP      var_2    N      CA     C1     C6       -40.308   20.000   1
 GHP      CONST_1  CA     C1     C2     C3       180.000    0.000   0
 GHP      CONST_2  CA     C1     C6     C5       180.000    0.000   0
 GHP      CONST_3  C1     C6     C5     C4         0.000    0.000   0
 GHP      CONST_4  C6     C5     C4     C3         0.000    0.000   0
 GHP      var_3    C5     C4     O4     HO4      -90.051   20.000   1
 GHP      CONST_5  C5     C4     C3     C2         0.000    0.000   0
 GHP      CONST_6  C4     C3     C2     C1         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
 GHP      chir_01  CA     N      C      C1        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
 GHP      plan-1    N         0.020
 GHP      plan-1    CA        0.020
 GHP      plan-1    HN1       0.020
 GHP      plan-1    HN2       0.020
 GHP      plan-2    C         0.020
 GHP      plan-2    CA        0.020
 GHP      plan-2    O         0.020
 GHP      plan-2    OXT       0.020
 GHP      plan-3    C1        0.020
 GHP      plan-3    CA        0.020
 GHP      plan-3    C2        0.020
 GHP      plan-3    C6        0.020
 GHP      plan-3    C3        0.020
 GHP      plan-3    C4        0.020
 GHP      plan-3    C5        0.020
 GHP      plan-3    HC2       0.020
 GHP      plan-3    H3        0.020
 GHP      plan-3    O4        0.020
 GHP      plan-3    H5        0.020
 GHP      plan-3    H6        0.020
# ------------------------------------------------------
