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
URN      URN '5,6-DIAMINOPYRIMIDINE-2,4(1H,3H)-DIO' non-polymer        16  10 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_URN
#
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
 URN           O2     O    O         0.000      0.000    0.000    0.000
 URN           C2     C    CR6       0.000     -1.214    0.047    0.001
 URN           N3     N    NR16      0.000     -1.921   -1.098    0.001
 URN           HN3    H    H         0.000     -1.422   -2.011    0.001
 URN           N1     N    NR16      0.000     -1.832    1.242   -0.004
 URN           HN1    H    H         0.000     -1.267    2.116   -0.012
 URN           C6     C    CR6       0.000     -3.206    1.316    0.002
 URN           N6     N    NH2       0.000     -3.836    2.541    0.002
 URN           HN62   H    H         0.000     -3.293    3.397    0.003
 URN           HN61   H    H         0.000     -4.848    2.597    0.002
 URN           C5     C    CR6       0.000     -3.940    0.162    0.002
 URN           N5     N    NH2       0.000     -5.354    0.210    0.002
 URN           HN52   H    H         0.000     -5.910   -0.647    0.001
 URN           HN51   H    H         0.000     -5.851    1.102    0.002
 URN           C4     C    CR6       0.000     -3.268   -1.074    0.001
 URN           O4     O    O         0.000     -3.901   -2.116    0.000
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
 URN      O2     n/a    C2     START
 URN      C2     O2     N1     .
 URN      N3     C2     HN3    .
 URN      HN3    N3     .      .
 URN      N1     C2     C6     .
 URN      HN1    N1     .      .
 URN      C6     N1     C5     .
 URN      N6     C6     HN61   .
 URN      HN62   N6     .      .
 URN      HN61   N6     .      .
 URN      C5     C6     C4     .
 URN      N5     C5     HN51   .
 URN      HN52   N5     .      .
 URN      HN51   N5     .      .
 URN      C4     C5     O4     .
 URN      O4     C4     .      END
 URN      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
 URN      O4     C4        double      1.250    0.020
 URN      C4     N3        single      1.337    0.020
 URN      C4     C5        single      1.487    0.020
 URN      N3     C2        single      1.337    0.020
 URN      HN3    N3        single      1.040    0.020
 URN      N5     C5        single      1.355    0.020
 URN      C5     C6        double      1.487    0.020
 URN      HN51   N5        single      1.010    0.020
 URN      HN52   N5        single      1.010    0.020
 URN      N6     C6        single      1.355    0.020
 URN      C6     N1        single      1.337    0.020
 URN      HN61   N6        single      1.010    0.020
 URN      HN62   N6        single      1.010    0.020
 URN      N1     C2        single      1.337    0.020
 URN      HN1    N1        single      1.040    0.020
 URN      C2     O2        double      1.250    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
 URN      O2     C2     N3      120.000    3.000
 URN      O2     C2     N1      120.000    3.000
 URN      N3     C2     N1      120.000    3.000
 URN      C2     N3     HN3     120.000    3.000
 URN      C2     N3     C4      120.000    3.000
 URN      HN3    N3     C4      120.000    3.000
 URN      C2     N1     HN1     120.000    3.000
 URN      C2     N1     C6      120.000    3.000
 URN      HN1    N1     C6      120.000    3.000
 URN      N1     C6     N6      120.000    3.000
 URN      N1     C6     C5      120.000    3.000
 URN      N6     C6     C5      120.000    3.000
 URN      C6     N6     HN62    120.000    3.000
 URN      C6     N6     HN61    120.000    3.000
 URN      HN62   N6     HN61    120.000    3.000
 URN      C6     C5     N5      120.000    3.000
 URN      C6     C5     C4      120.000    3.000
 URN      N5     C5     C4      120.000    3.000
 URN      C5     N5     HN52    120.000    3.000
 URN      C5     N5     HN51    120.000    3.000
 URN      HN52   N5     HN51    120.000    3.000
 URN      C5     C4     O4      120.000    3.000
 URN      C5     C4     N3      120.000    3.000
 URN      O4     C4     N3      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
 URN      CONST_1  O2     C2     N3     C4       180.000    0.000   0
 URN      CONST_2  O2     C2     N1     C6       180.000    0.000   0
 URN      CONST_3  C2     N1     C6     C5         0.000    0.000   0
 URN      CONST_4  N1     C6     N6     HN61     179.691    0.000   0
 URN      CONST_5  N1     C6     C5     C4         0.000    0.000   0
 URN      CONST_6  C6     C5     N5     HN51      -0.047    0.000   0
 URN      CONST_7  C6     C5     C4     O4       180.000    0.000   0
 URN      CONST_8  C5     C4     N3     C2         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
 URN      plan-1    C4        0.020
 URN      plan-1    O4        0.020
 URN      plan-1    N3        0.020
 URN      plan-1    C5        0.020
 URN      plan-1    C6        0.020
 URN      plan-1    N1        0.020
 URN      plan-1    C2        0.020
 URN      plan-1    HN3       0.020
 URN      plan-1    N5        0.020
 URN      plan-1    N6        0.020
 URN      plan-1    HN1       0.020
 URN      plan-1    O2        0.020
 URN      plan-1    HN52      0.020
 URN      plan-1    HN51      0.020
 URN      plan-1    HN62      0.020
 URN      plan-1    HN61      0.020
 URN      plan-2    N5        0.020
 URN      plan-2    C5        0.020
 URN      plan-2    HN51      0.020
 URN      plan-2    HN52      0.020
 URN      plan-3    N6        0.020
 URN      plan-3    C6        0.020
 URN      plan-3    HN61      0.020
 URN      plan-3    HN62      0.020
# ------------------------------------------------------
