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
URF      URF '5-FLUOROURACIL                      ' non-polymer        12   9 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_URF
#
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
 URF           F5     F    F         0.000      0.000    0.000    0.000
 URF           C5     C    CR6       0.000     -1.223    0.000    0.573
 URF           C6     C    CR16      0.000     -1.349    0.001    1.918
 URF           H6     H    H         0.000     -0.467    0.001    2.547
 URF           N1     N    NR16      0.000     -2.597    0.001    2.482
 URF           HN1    H    H         0.000     -2.694    0.003    3.517
 URF           C4     C    CR6       0.000     -2.391    0.002   -0.228
 URF           O4     O    O         0.000     -2.304    0.001   -1.443
 URF           N3     N    NR16      0.000     -3.601   -0.002    0.366
 URF           HN3    H    H         0.000     -4.463   -0.007   -0.215
 URF           C2     C    CR6       0.000     -3.697    0.000    1.709
 URF           O2     O    O         0.000     -4.796   -0.001    2.231
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
 URF      F5     n/a    C5     START
 URF      C5     F5     C4     .
 URF      C6     C5     N1     .
 URF      H6     C6     .      .
 URF      N1     C6     HN1    .
 URF      HN1    N1     .      .
 URF      C4     C5     N3     .
 URF      O4     C4     .      .
 URF      N3     C4     C2     .
 URF      HN3    N3     .      .
 URF      C2     N3     O2     .
 URF      O2     C2     .      END
 URF      N1     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
 URF      N1     C2        single      1.337    0.020
 URF      N1     C6        single      1.337    0.020
 URF      HN1    N1        single      1.040    0.020
 URF      C2     N3        single      1.337    0.020
 URF      O2     C2        double      1.250    0.020
 URF      N3     C4        single      1.337    0.020
 URF      HN3    N3        single      1.040    0.020
 URF      C4     C5        single      1.487    0.020
 URF      O4     C4        double      1.250    0.020
 URF      C6     C5        double      1.390    0.020
 URF      C5     F5        single      1.345    0.020
 URF      H6     C6        single      1.083    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
 URF      F5     C5     C6      120.000    3.000
 URF      F5     C5     C4      120.000    3.000
 URF      C6     C5     C4      120.000    3.000
 URF      C5     C6     H6      120.000    3.000
 URF      C5     C6     N1      120.000    3.000
 URF      H6     C6     N1      120.000    3.000
 URF      C6     N1     HN1     120.000    3.000
 URF      C6     N1     C2      120.000    3.000
 URF      HN1    N1     C2      120.000    3.000
 URF      C5     C4     O4      120.000    3.000
 URF      C5     C4     N3      120.000    3.000
 URF      O4     C4     N3      120.000    3.000
 URF      C4     N3     HN3     120.000    3.000
 URF      C4     N3     C2      120.000    3.000
 URF      HN3    N3     C2      120.000    3.000
 URF      N3     C2     O2      120.000    3.000
 URF      N3     C2     N1      120.000    3.000
 URF      O2     C2     N1      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
 URF      CONST_1  F5     C5     C6     N1       180.000    0.000   0
 URF      CONST_2  C5     C6     N1     C2         0.000    0.000   0
 URF      CONST_3  C6     N1     C2     N3         0.000    0.000   0
 URF      CONST_4  F5     C5     C4     N3       180.000    0.000   0
 URF      CONST_5  C5     C4     N3     C2         0.000    0.000   0
 URF      CONST_6  C4     N3     C2     O2       180.000    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
 URF      plan-1    N1        0.020
 URF      plan-1    C2        0.020
 URF      plan-1    C6        0.020
 URF      plan-1    HN1       0.020
 URF      plan-1    N3        0.020
 URF      plan-1    C4        0.020
 URF      plan-1    C5        0.020
 URF      plan-1    O2        0.020
 URF      plan-1    HN3       0.020
 URF      plan-1    O4        0.020
 URF      plan-1    F5        0.020
 URF      plan-1    H6        0.020
# ------------------------------------------------------
