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
UNC      UNC '5-AMINO-6-NITROPYRIMIDINE-2,4(1H,3H)' non-polymer        16  12 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_UNC
#
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
 UNC           O6     O    O         0.000      0.000    0.000    0.000
 UNC           C6     C    CR6       0.000     -1.215    0.075   -0.001
 UNC           N1     N    NR16      0.000     -1.967   -1.044   -0.023
 UNC           HN1    H    H         0.000     -1.506   -1.976   -0.040
 UNC           C2     C    CR6       0.000     -3.310   -0.962   -0.024
 UNC           O2     O    O         0.000     -3.971   -1.982   -0.049
 UNC           N3     N    NR16      0.000     -3.932    0.230    0.002
 UNC           HN3    H    H         0.000     -4.971    0.270    0.000
 UNC           C5     C    CR6       0.000     -1.855    1.343    0.033
 UNC           N5     N    NH2       0.000     -1.094    2.527    0.062
 UNC           HN52   H    H         0.000     -0.078    2.495    0.147
 UNC           HN51   H    H         0.000     -1.542    3.441   -0.001
 UNC           C4     C    CR6       0.000     -3.207    1.397    0.031
 UNC           N4     N    N         1.000     -3.900    2.704    0.061
 UNC           OD2    O    O         0.000     -5.114    2.748    0.164
 UNC           OD1    O    O        -1.000     -3.259    3.736   -0.017
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
 UNC      O6     n/a    C6     START
 UNC      C6     O6     C5     .
 UNC      N1     C6     C2     .
 UNC      HN1    N1     .      .
 UNC      C2     N1     N3     .
 UNC      O2     C2     .      .
 UNC      N3     C2     HN3    .
 UNC      HN3    N3     .      .
 UNC      C5     C6     C4     .
 UNC      N5     C5     HN51   .
 UNC      HN52   N5     .      .
 UNC      HN51   N5     .      .
 UNC      C4     C5     N4     .
 UNC      N4     C4     OD1    .
 UNC      OD2    N4     .      .
 UNC      OD1    N4     .      END
 UNC      C4     N3     .    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
 UNC      OD2    N4        double      1.220    0.020
 UNC      OD1    N4        single      1.400    0.020
 UNC      N4     C4        single      1.400    0.020
 UNC      C4     N3        single      1.337    0.020
 UNC      C4     C5        double      1.487    0.020
 UNC      N3     C2        single      1.337    0.020
 UNC      HN3    N3        single      1.040    0.020
 UNC      O2     C2        double      1.250    0.020
 UNC      C2     N1        single      1.337    0.020
 UNC      N5     C5        single      1.355    0.020
 UNC      C5     C6        single      1.487    0.020
 UNC      HN51   N5        single      1.010    0.020
 UNC      HN52   N5        single      1.010    0.020
 UNC      C6     O6        double      1.250    0.020
 UNC      N1     C6        single      1.337    0.020
 UNC      HN1    N1        single      1.040    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
 UNC      O6     C6     N1      120.000    3.000
 UNC      O6     C6     C5      120.000    3.000
 UNC      N1     C6     C5      120.000    3.000
 UNC      C6     N1     HN1     120.000    3.000
 UNC      C6     N1     C2      120.000    3.000
 UNC      HN1    N1     C2      120.000    3.000
 UNC      N1     C2     O2      120.000    3.000
 UNC      N1     C2     N3      120.000    3.000
 UNC      O2     C2     N3      120.000    3.000
 UNC      C2     N3     HN3     120.000    3.000
 UNC      C2     N3     C4      120.000    3.000
 UNC      HN3    N3     C4      120.000    3.000
 UNC      C6     C5     N5      120.000    3.000
 UNC      C6     C5     C4      120.000    3.000
 UNC      N5     C5     C4      120.000    3.000
 UNC      C5     N5     HN52    120.000    3.000
 UNC      C5     N5     HN51    120.000    3.000
 UNC      HN52   N5     HN51    120.000    3.000
 UNC      C5     C4     N4      120.000    3.000
 UNC      C5     C4     N3      120.000    3.000
 UNC      N4     C4     N3      120.000    3.000
 UNC      C4     N4     OD2     120.000    3.000
 UNC      C4     N4     OD1     120.000    3.000
 UNC      OD2    N4     OD1     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
 UNC      CONST_1  O6     C6     N1     C2       180.000    0.000   0
 UNC      CONST_2  C6     N1     C2     N3         0.000    0.000   0
 UNC      CONST_3  N1     C2     N3     C4         0.000    0.000   0
 UNC      CONST_4  O6     C6     C5     C4       180.000    0.000   0
 UNC      CONST_5  C6     C5     N5     HN51     174.235    0.000   0
 UNC      CONST_6  C6     C5     C4     N4       180.000    0.000   0
 UNC      CONST_7  C5     C4     N3     C2         0.000    0.000   0
 UNC      var_1    C5     C4     N4     OD1        5.653   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
 UNC      plan-1    N4        0.020
 UNC      plan-1    OD2       0.020
 UNC      plan-1    OD1       0.020
 UNC      plan-1    C4        0.020
 UNC      plan-2    C4        0.020
 UNC      plan-2    N4        0.020
 UNC      plan-2    N3        0.020
 UNC      plan-2    C5        0.020
 UNC      plan-2    C2        0.020
 UNC      plan-2    C6        0.020
 UNC      plan-2    N1        0.020
 UNC      plan-2    HN3       0.020
 UNC      plan-2    O2        0.020
 UNC      plan-2    N5        0.020
 UNC      plan-2    O6        0.020
 UNC      plan-2    HN1       0.020
 UNC      plan-2    HN52      0.020
 UNC      plan-2    HN51      0.020
 UNC      plan-3    N5        0.020
 UNC      plan-3    C5        0.020
 UNC      plan-3    HN51      0.020
 UNC      plan-3    HN52      0.020
# ------------------------------------------------------
