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
FFP      FFP '2,6-DIFLUOROPHENOL                  ' non-polymer        13   9 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_FFP
#
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
 FFP           F2     F    F         0.000      0.000    0.000    0.000
 FFP           C2     C    CR6       0.000     -1.055   -0.222   -0.795
 FFP           C1     C    CR6       0.000     -0.877   -0.769   -2.066
 FFP           O      O    OH1       0.000      0.374   -1.082   -2.502
 FFP           HO     H    H         0.000      1.022   -0.827   -1.831
 FFP           C6     C    CR6       0.000     -1.979   -0.995   -2.890
 FFP           F1     F    F         0.000     -1.813   -1.524   -4.109
 FFP           C3     C    CR16      0.000     -2.338    0.100   -0.349
 FFP           H3     H    H         0.000     -2.477    0.525    0.637
 FFP           C4     C    CR16      0.000     -3.440   -0.126   -1.173
 FFP           H4     H    H         0.000     -4.435    0.123   -0.826
 FFP           C5     C    CR16      0.000     -3.261   -0.673   -2.442
 FFP           H5     H    H         0.000     -4.117   -0.848   -3.082
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
 FFP      F2     n/a    C2     START
 FFP      C2     F2     C3     .
 FFP      C1     C2     C6     .
 FFP      O      C1     HO     .
 FFP      HO     O      .      .
 FFP      C6     C1     F1     .
 FFP      F1     C6     .      .
 FFP      C3     C2     C4     .
 FFP      H3     C3     .      .
 FFP      C4     C3     C5     .
 FFP      H4     C4     .      .
 FFP      C5     C4     H5     .
 FFP      H5     C5     .      END
 FFP      C6     C5     .    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
 FFP      F1     C6        single      1.345    0.020
 FFP      C6     C5        double      1.390    0.020
 FFP      C6     C1        single      1.487    0.020
 FFP      C5     C4        single      1.390    0.020
 FFP      H5     C5        single      1.083    0.020
 FFP      C4     C3        double      1.390    0.020
 FFP      H4     C4        single      1.083    0.020
 FFP      C3     C2        single      1.390    0.020
 FFP      H3     C3        single      1.083    0.020
 FFP      C2     F2        single      1.345    0.020
 FFP      C1     C2        double      1.487    0.020
 FFP      O      C1        single      1.362    0.020
 FFP      HO     O         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
 FFP      F2     C2     C1      120.000    3.000
 FFP      F2     C2     C3      120.000    3.000
 FFP      C1     C2     C3      120.000    3.000
 FFP      C2     C1     O       120.000    3.000
 FFP      C2     C1     C6      120.000    3.000
 FFP      O      C1     C6      120.000    3.000
 FFP      C1     O      HO      109.470    3.000
 FFP      C1     C6     F1      120.000    3.000
 FFP      C1     C6     C5      120.000    3.000
 FFP      F1     C6     C5      120.000    3.000
 FFP      C2     C3     H3      120.000    3.000
 FFP      C2     C3     C4      120.000    3.000
 FFP      H3     C3     C4      120.000    3.000
 FFP      C3     C4     H4      120.000    3.000
 FFP      C3     C4     C5      120.000    3.000
 FFP      H4     C4     C5      120.000    3.000
 FFP      C4     C5     H5      120.000    3.000
 FFP      C4     C5     C6      120.000    3.000
 FFP      H5     C5     C6      120.000    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
 FFP      CONST_1  F2     C2     C1     C6       180.000    0.000   0
 FFP      var_1    C2     C1     O      HO        -2.622   20.000   1
 FFP      CONST_2  C2     C1     C6     F1       180.000    0.000   0
 FFP      CONST_3  C1     C6     C5     C4         0.000    0.000   0
 FFP      CONST_4  F2     C2     C3     C4       180.000    0.000   0
 FFP      CONST_5  C2     C3     C4     C5         0.000    0.000   0
 FFP      CONST_6  C3     C4     C5     C6         0.000    0.000   0
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
 FFP      plan-1    C6        0.020
 FFP      plan-1    F1        0.020
 FFP      plan-1    C5        0.020
 FFP      plan-1    C1        0.020
 FFP      plan-1    C4        0.020
 FFP      plan-1    C3        0.020
 FFP      plan-1    C2        0.020
 FFP      plan-1    H5        0.020
 FFP      plan-1    H4        0.020
 FFP      plan-1    H3        0.020
 FFP      plan-1    F2        0.020
 FFP      plan-1    O         0.020
# ------------------------------------------------------
