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
URA      URA 'URACIL                              ' non-polymer        12   8 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_URA
#
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
 URA           O4     O    O         0.000      0.000    0.000    0.000
 URA           C4     C    CR6       0.000     -1.039    0.000   -0.636
 URA           N3     N    NR16      0.000     -2.226    0.003    0.002
 URA           HN3    H    H         0.000     -2.256    0.009    1.042
 URA           C2     C    CR6       0.000     -3.373   -0.001   -0.702
 URA           O2     O    O         0.000     -4.437   -0.002   -0.113
 URA           C5     C    CR16      0.000     -1.010    0.001   -2.050
 URA           H5     H    H         0.000     -0.065    0.002   -2.580
 URA           C6     C    CR16      0.000     -2.175    0.000   -2.732
 URA           H6     H    H         0.000     -2.173    0.000   -3.815
 URA           N1     N    NR16      0.000     -3.360    0.000   -2.046
 URA           HN1    H    H         0.000     -4.258    0.000   -2.570
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
 URA      O4     n/a    C4     START
 URA      C4     O4     C5     .
 URA      N3     C4     C2     .
 URA      HN3    N3     .      .
 URA      C2     N3     O2     .
 URA      O2     C2     .      .
 URA      C5     C4     C6     .
 URA      H5     C5     .      .
 URA      C6     C5     N1     .
 URA      H6     C6     .      .
 URA      N1     C6     HN1    .
 URA      HN1    N1     .      END
 URA      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
 URA      N1     C2        single      1.337    0.020
 URA      N1     C6        single      1.337    0.020
 URA      HN1    N1        single      1.040    0.020
 URA      O2     C2        double      1.250    0.020
 URA      C2     N3        single      1.337    0.020
 URA      N3     C4        single      1.337    0.020
 URA      HN3    N3        single      1.040    0.020
 URA      C4     O4        double      1.250    0.020
 URA      C5     C4        single      1.390    0.020
 URA      C6     C5        double      1.390    0.020
 URA      H5     C5        single      1.083    0.020
 URA      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
 URA      O4     C4     N3      120.000    3.000
 URA      O4     C4     C5      120.000    3.000
 URA      N3     C4     C5      120.000    3.000
 URA      C4     N3     HN3     120.000    3.000
 URA      C4     N3     C2      120.000    3.000
 URA      HN3    N3     C2      120.000    3.000
 URA      N3     C2     O2      120.000    3.000
 URA      N3     C2     N1      120.000    3.000
 URA      O2     C2     N1      120.000    3.000
 URA      C4     C5     H5      120.000    3.000
 URA      C4     C5     C6      120.000    3.000
 URA      H5     C5     C6      120.000    3.000
 URA      C5     C6     H6      120.000    3.000
 URA      C5     C6     N1      120.000    3.000
 URA      H6     C6     N1      120.000    3.000
 URA      C6     N1     HN1     120.000    3.000
 URA      C6     N1     C2      120.000    3.000
 URA      HN1    N1     C2      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
 URA      CONST_1  O4     C4     N3     C2       180.000    0.000   0
 URA      CONST_2  C4     N3     C2     O2       180.000    0.000   0
 URA      CONST_3  O4     C4     C5     C6       180.000    0.000   0
 URA      CONST_4  C4     C5     C6     N1         0.000    0.000   0
 URA      CONST_5  C5     C6     N1     C2         0.000    0.000   0
 URA      CONST_6  C6     N1     C2     N3         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
 URA      plan-1    N1        0.020
 URA      plan-1    C2        0.020
 URA      plan-1    C6        0.020
 URA      plan-1    HN1       0.020
 URA      plan-1    N3        0.020
 URA      plan-1    C4        0.020
 URA      plan-1    C5        0.020
 URA      plan-1    O2        0.020
 URA      plan-1    HN3       0.020
 URA      plan-1    O4        0.020
 URA      plan-1    H5        0.020
 URA      plan-1    H6        0.020
# ------------------------------------------------------
