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
DOR      DOR '(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-4-' non-polymer        16  11 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_DOR
#
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
 DOR           O71    O    OC       -0.500      0.000    0.000    0.000
 DOR           C7     C    C         0.000     -0.317    0.365   -1.154
 DOR           O72    O    OC       -0.500      0.493    1.021   -1.846
 DOR           C6     C    CH1       0.000     -1.673    0.015   -1.710
 DOR           H6     H    H         0.000     -1.574   -0.263   -2.768
 DOR           N1     N    NH1       0.000     -2.231   -1.113   -0.960
 DOR           HN1    H    H         0.000     -2.121   -2.051   -1.317
 DOR           C5     C    CH2       0.000     -2.603    1.223   -1.585
 DOR           H51    H    H         0.000     -3.498    1.060   -2.189
 DOR           H52    H    H         0.000     -2.087    2.120   -1.934
 DOR           C4     C    C         0.000     -2.996    1.397   -0.139
 DOR           O4     O    O         0.000     -3.167    2.510    0.313
 DOR           N3     N    NH1       0.000     -3.157    0.319    0.649
 DOR           HN3    H    H         0.000     -3.486    0.440    1.596
 DOR           C2     C    C         0.000     -2.888   -0.916    0.194
 DOR           O2     O    O         0.000     -3.248   -1.879    0.844
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
 DOR      O71    n/a    C7     START
 DOR      C7     O71    C6     .
 DOR      O72    C7     .      .
 DOR      C6     C7     C5     .
 DOR      H6     C6     .      .
 DOR      N1     C6     HN1    .
 DOR      HN1    N1     .      .
 DOR      C5     C6     C4     .
 DOR      H51    C5     .      .
 DOR      H52    C5     .      .
 DOR      C4     C5     N3     .
 DOR      O4     C4     .      .
 DOR      N3     C4     C2     .
 DOR      HN3    N3     .      .
 DOR      C2     N3     O2     .
 DOR      O2     C2     .      END
 DOR      C2     N1     .    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
 DOR      O2     C2        double      1.220    0.020
 DOR      C2     N1        single      1.330    0.020
 DOR      C2     N3        single      1.330    0.020
 DOR      N1     C6        single      1.450    0.020
 DOR      HN1    N1        single      1.010    0.020
 DOR      N3     C4        single      1.330    0.020
 DOR      HN3    N3        single      1.010    0.020
 DOR      O4     C4        double      1.220    0.020
 DOR      C4     C5        single      1.510    0.020
 DOR      C5     C6        single      1.524    0.020
 DOR      H51    C5        single      1.092    0.020
 DOR      H52    C5        single      1.092    0.020
 DOR      C6     C7        single      1.500    0.020
 DOR      H6     C6        single      1.099    0.020
 DOR      O72    C7        deloc       1.250    0.020
 DOR      C7     O71       deloc       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
 DOR      O71    C7     O72     123.000    3.000
 DOR      O71    C7     C6      118.500    3.000
 DOR      O72    C7     C6      118.500    3.000
 DOR      C7     C6     H6      108.810    3.000
 DOR      C7     C6     N1      111.600    3.000
 DOR      C7     C6     C5      109.470    3.000
 DOR      H6     C6     N1      108.550    3.000
 DOR      H6     C6     C5      108.340    3.000
 DOR      N1     C6     C5      110.000    3.000
 DOR      C6     N1     HN1     118.500    3.000
 DOR      C6     N1     C2      121.500    3.000
 DOR      HN1    N1     C2      120.000    3.000
 DOR      C6     C5     H51     109.470    3.000
 DOR      C6     C5     H52     109.470    3.000
 DOR      C6     C5     C4      109.470    3.000
 DOR      H51    C5     H52     107.900    3.000
 DOR      H51    C5     C4      109.470    3.000
 DOR      H52    C5     C4      109.470    3.000
 DOR      C5     C4     O4      120.500    3.000
 DOR      C5     C4     N3      116.500    3.000
 DOR      O4     C4     N3      123.000    3.000
 DOR      C4     N3     HN3     120.000    3.000
 DOR      C4     N3     C2      120.000    3.000
 DOR      HN3    N3     C2      120.000    3.000
 DOR      N3     C2     O2      123.000    3.000
 DOR      N3     C2     N1      120.000    3.000
 DOR      O2     C2     N1      123.000    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
 DOR      var_1    O71    C7     C6     C5       100.038   20.000   3
 DOR      var_2    C7     C6     N1     C2        90.000   20.000   3
 DOR      var_3    C7     C6     C5     C4       -60.000   20.000   3
 DOR      var_4    C6     C5     C4     N3       -30.000   20.000   3
 DOR      CONST_1  C5     C4     N3     C2         0.000    0.000   0
 DOR      CONST_2  C4     N3     C2     O2       180.000    0.000   0
 DOR      CONST_3  N3     C2     N1     C6         0.000    0.000   0
loop_
_chem_comp_chir.comp_id
_chem_comp_chir.id
_chem_comp_chir.atom_id_centre
_chem_comp_chir.atom_id_1
_chem_comp_chir.atom_id_2
_chem_comp_chir.atom_id_3
_chem_comp_chir.volume_sign
 DOR      chir_01  C6     N1     C5     C7        negativ
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
 DOR      plan-1    C2        0.020
 DOR      plan-1    O2        0.020
 DOR      plan-1    N1        0.020
 DOR      plan-1    N3        0.020
 DOR      plan-1    HN1       0.020
 DOR      plan-1    HN3       0.020
 DOR      plan-2    N1        0.020
 DOR      plan-2    C2        0.020
 DOR      plan-2    C6        0.020
 DOR      plan-2    HN1       0.020
 DOR      plan-3    N3        0.020
 DOR      plan-3    C2        0.020
 DOR      plan-3    C4        0.020
 DOR      plan-3    HN3       0.020
 DOR      plan-4    C4        0.020
 DOR      plan-4    N3        0.020
 DOR      plan-4    O4        0.020
 DOR      plan-4    C5        0.020
 DOR      plan-4    HN3       0.020
 DOR      plan-5    C7        0.020
 DOR      plan-5    C6        0.020
 DOR      plan-5    O72       0.020
 DOR      plan-5    O71       0.020
# ------------------------------------------------------
