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
FPN      FPN '4-FLUOROPHENOL                      ' non-polymer        13   8 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_FPN
#
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
 FPN           F1     F    F         0.000      0.000    0.000    0.000
 FPN           C4     C    CR6       0.000     -1.351    0.000    0.000
 FPN           C3     C    CR16      0.000     -2.042    1.199    0.001
 FPN           H3     H    H         0.000     -1.500    2.136    0.003
 FPN           C2     C    CR16      0.000     -3.424    1.201    0.001
 FPN           H2     H    H         0.000     -3.965    2.139    0.002
 FPN           C5     C    CR16      0.000     -2.042   -1.199   -0.002
 FPN           H5     H    H         0.000     -1.500   -2.136   -0.007
 FPN           C6     C    CR16      0.000     -3.424   -1.201    0.003
 FPN           H6     H    H         0.000     -3.965   -2.139    0.010
 FPN           C1     C    CR6       0.000     -4.118    0.000   -0.001
 FPN           O1     O    OH1       0.000     -5.477    0.000    0.000
 FPN           HO1    H    H         0.000     -5.799    0.001   -0.911
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
 FPN      F1     n/a    C4     START
 FPN      C4     F1     C5     .
 FPN      C3     C4     C2     .
 FPN      H3     C3     .      .
 FPN      C2     C3     H2     .
 FPN      H2     C2     .      .
 FPN      C5     C4     C6     .
 FPN      H5     C5     .      .
 FPN      C6     C5     C1     .
 FPN      H6     C6     .      .
 FPN      C1     C6     O1     .
 FPN      O1     C1     HO1    .
 FPN      HO1    O1     .      END
 FPN      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
 FPN      C1     C2        double      1.390    0.020
 FPN      C1     C6        single      1.390    0.020
 FPN      O1     C1        single      1.362    0.020
 FPN      C2     C3        single      1.390    0.020
 FPN      H2     C2        single      1.083    0.020
 FPN      C3     C4        double      1.390    0.020
 FPN      H3     C3        single      1.083    0.020
 FPN      C5     C4        single      1.390    0.020
 FPN      C4     F1        single      1.345    0.020
 FPN      C6     C5        double      1.390    0.020
 FPN      H5     C5        single      1.083    0.020
 FPN      H6     C6        single      1.083    0.020
 FPN      HO1    O1        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
 FPN      F1     C4     C3      120.000    3.000
 FPN      F1     C4     C5      120.000    3.000
 FPN      C3     C4     C5      120.000    3.000
 FPN      C4     C3     H3      120.000    3.000
 FPN      C4     C3     C2      120.000    3.000
 FPN      H3     C3     C2      120.000    3.000
 FPN      C3     C2     H2      120.000    3.000
 FPN      C3     C2     C1      120.000    3.000
 FPN      H2     C2     C1      120.000    3.000
 FPN      C4     C5     H5      120.000    3.000
 FPN      C4     C5     C6      120.000    3.000
 FPN      H5     C5     C6      120.000    3.000
 FPN      C5     C6     H6      120.000    3.000
 FPN      C5     C6     C1      120.000    3.000
 FPN      H6     C6     C1      120.000    3.000
 FPN      C6     C1     O1      120.000    3.000
 FPN      C6     C1     C2      120.000    3.000
 FPN      O1     C1     C2      120.000    3.000
 FPN      C1     O1     HO1     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
 FPN      CONST_1  F1     C4     C3     C2       180.000    0.000   0
 FPN      CONST_2  C4     C3     C2     C1         0.000    0.000   0
 FPN      CONST_3  F1     C4     C5     C6       180.000    0.000   0
 FPN      CONST_4  C4     C5     C6     C1         0.000    0.000   0
 FPN      CONST_5  C5     C6     C1     O1       180.000    0.000   0
 FPN      CONST_6  C6     C1     C2     C3         0.000    0.000   0
 FPN      var_1    C6     C1     O1     HO1      -90.259   20.000   1
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
 FPN      plan-1    C1        0.020
 FPN      plan-1    C2        0.020
 FPN      plan-1    C6        0.020
 FPN      plan-1    O1        0.020
 FPN      plan-1    C3        0.020
 FPN      plan-1    C4        0.020
 FPN      plan-1    C5        0.020
 FPN      plan-1    H2        0.020
 FPN      plan-1    H3        0.020
 FPN      plan-1    F1        0.020
 FPN      plan-1    H5        0.020
 FPN      plan-1    H6        0.020
# ------------------------------------------------------
