File: UD1.cif

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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
UD1      UD1 'URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAM' non-polymer        64  39 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_UD1
#
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
 UD1           O2B    O    OP       -0.500      0.000    0.000    0.000
 UD1           PB     P    P         0.000     -1.317    0.133   -0.669
 UD1           O1B    O    OP       -0.500     -1.840   -1.215   -1.000
 UD1           "O1'"  O    O2        0.000     -1.147    0.989   -2.021
 UD1           "C1'"  C    CH1       0.000     -0.226    0.278   -2.849
 UD1           "H1'"  H    H         0.000      0.480   -0.280   -2.217
 UD1           "O5'"  O    O2        0.000     -0.942   -0.633   -3.680
 UD1           "C5'"  C    CH1       0.000     -1.965    0.103   -4.350
 UD1           "H5'"  H    H         0.000     -2.557    0.661   -3.611
 UD1           "C6'"  C    CH2       0.000     -2.876   -0.867   -5.105
 UD1           "H6'1" H    H         0.000     -2.289   -1.419   -5.841
 UD1           "H6'2" H    H         0.000     -3.662   -0.305   -5.614
 UD1           "O6'"  O    OH1       0.000     -3.467   -1.783   -4.181
 UD1           "HO6'" H    H         0.000     -4.042   -2.396   -4.658
 UD1           "C4'"  C    CH1       0.000     -1.332    1.082   -5.341
 UD1           "H4'"  H    H         0.000     -0.720    0.528   -6.066
 UD1           "O4'"  O    OH1       0.000     -2.359    1.798   -6.029
 UD1           "HO4'" H    H         0.000     -2.917    1.174   -6.514
 UD1           "C3'"  C    CH1       0.000     -0.447    2.069   -4.572
 UD1           "H3'"  H    H         0.000     -1.073    2.696   -3.922
 UD1           "O3'"  O    OH1       0.000      0.267    2.895   -5.493
 UD1           "HO3'" H    H         0.000     -0.361    3.396   -6.030
 UD1           "C2'"  C    CH1       0.000      0.546    1.273   -3.717
 UD1           "H2'"  H    H         0.000      1.241    0.729   -4.372
 UD1           "N2'"  N    NH1       0.000      1.299    2.190   -2.859
 UD1           "HN2'" H    H         0.000      0.874    3.050   -2.544
 UD1           "C7'"  C    C         0.000      2.559    1.888   -2.490
 UD1           "O7'"  O    O         0.000      3.069    0.855   -2.869
 UD1           "C8'"  C    CH3       0.000      3.334    2.832   -1.607
 UD1           "H8'3" H    H         0.000      3.429    3.771   -2.088
 UD1           "H8'2" H    H         0.000      2.822    2.958   -0.688
 UD1           "H8'1" H    H         0.000      4.298    2.433   -1.421
 UD1           O3A    O    O2        0.000     -2.347    0.880    0.316
 UD1           PA     P    P         0.000     -2.467   -0.027    1.639
 UD1           O1A    O    OP       -0.500     -2.973   -1.372    1.272
 UD1           O2A    O    OP       -0.500     -1.133   -0.157    2.274
 UD1           O5B    O    O2        0.000     -3.488    0.665    2.674
 UD1           C5B    C    CH2       0.000     -3.552   -0.182    3.822
 UD1           "H5'1" H    H         0.000     -2.556   -0.275    4.261
 UD1           "H5'2" H    H         0.000     -3.910   -1.170    3.524
 UD1           C4B    C    CH1       0.000     -4.510    0.421    4.850
 UD1           H4B    H    H         0.000     -4.161    1.421    5.144
 UD1           C3B    C    CH1       0.000     -4.593   -0.491    6.089
 UD1           H3B    H    H         0.000     -3.988   -1.396    5.941
 UD1           O3B    O    OH1       0.000     -4.168    0.208    7.261
 UD1           HO3A   H    H         0.000     -4.284   -0.361    8.035
 UD1           C2B    C    CH1       0.000     -6.097   -0.854    6.189
 UD1           H2B    H    H         0.000     -6.295   -1.833    5.730
 UD1           "O2'"  O    OH1       0.000     -6.537   -0.833    7.548
 UD1           "HO2'" H    H         0.000     -6.110   -1.550    8.035
 UD1           O4B    O    O2        0.000     -5.832    0.510    4.293
 UD1           C1B    C    CH1       0.000     -6.762    0.283    5.373
 UD1           H1B    H    H         0.000     -6.868    1.188    5.988
 UD1           N1     N    NR6       0.000     -8.062   -0.142    4.855
 UD1           C6     C    CR16      0.000     -9.181    0.593    5.143
 UD1           H6     H    H         0.000     -9.103    1.485    5.753
 UD1           C5     C    CR16      0.000    -10.380    0.201    4.663
 UD1           H5     H    H         0.000    -11.272    0.774    4.882
 UD1           C4     C    CR6       0.000    -10.457   -0.968    3.869
 UD1           O4     O    O         0.000    -11.527   -1.341    3.425
 UD1           N3     N    NR16      0.000     -9.332   -1.664    3.608
 UD1           HN3    H    H         0.000     -9.379   -2.526    3.028
 UD1           C2     C    CR6       0.000     -8.148   -1.248    4.095
 UD1           O2     O    O         0.000     -7.142   -1.886    3.851
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
 UD1      O2B    n/a    PB     START
 UD1      PB     O2B    O3A    .
 UD1      O1B    PB     .      .
 UD1      "O1'"  PB     "C1'"  .
 UD1      "C1'"  "O1'"  "O5'"  .
 UD1      "H1'"  "C1'"  .      .
 UD1      "O5'"  "C1'"  "C5'"  .
 UD1      "C5'"  "O5'"  "C4'"  .
 UD1      "H5'"  "C5'"  .      .
 UD1      "C6'"  "C5'"  "O6'"  .
 UD1      "H6'1" "C6'"  .      .
 UD1      "H6'2" "C6'"  .      .
 UD1      "O6'"  "C6'"  "HO6'" .
 UD1      "HO6'" "O6'"  .      .
 UD1      "C4'"  "C5'"  "C3'"  .
 UD1      "H4'"  "C4'"  .      .
 UD1      "O4'"  "C4'"  "HO4'" .
 UD1      "HO4'" "O4'"  .      .
 UD1      "C3'"  "C4'"  "C2'"  .
 UD1      "H3'"  "C3'"  .      .
 UD1      "O3'"  "C3'"  "HO3'" .
 UD1      "HO3'" "O3'"  .      .
 UD1      "C2'"  "C3'"  "N2'"  .
 UD1      "H2'"  "C2'"  .      .
 UD1      "N2'"  "C2'"  "C7'"  .
 UD1      "HN2'" "N2'"  .      .
 UD1      "C7'"  "N2'"  "C8'"  .
 UD1      "O7'"  "C7'"  .      .
 UD1      "C8'"  "C7'"  "H8'1" .
 UD1      "H8'3" "C8'"  .      .
 UD1      "H8'2" "C8'"  .      .
 UD1      "H8'1" "C8'"  .      .
 UD1      O3A    PB     PA     .
 UD1      PA     O3A    O5B    .
 UD1      O1A    PA     .      .
 UD1      O2A    PA     .      .
 UD1      O5B    PA     C5B    .
 UD1      C5B    O5B    C4B    .
 UD1      "H5'1" C5B    .      .
 UD1      "H5'2" C5B    .      .
 UD1      C4B    C5B    O4B    .
 UD1      H4B    C4B    .      .
 UD1      C3B    C4B    C2B    .
 UD1      H3B    C3B    .      .
 UD1      O3B    C3B    HO3A   .
 UD1      HO3A   O3B    .      .
 UD1      C2B    C3B    "O2'"  .
 UD1      H2B    C2B    .      .
 UD1      "O2'"  C2B    "HO2'" .
 UD1      "HO2'" "O2'"  .      .
 UD1      O4B    C4B    C1B    .
 UD1      C1B    O4B    N1     .
 UD1      H1B    C1B    .      .
 UD1      N1     C1B    C6     .
 UD1      C6     N1     C5     .
 UD1      H6     C6     .      .
 UD1      C5     C6     C4     .
 UD1      H5     C5     .      .
 UD1      C4     C5     N3     .
 UD1      O4     C4     .      .
 UD1      N3     C4     C2     .
 UD1      HN3    N3     .      .
 UD1      C2     N3     O2     .
 UD1      O2     C2     .      END
 UD1      "C1'"  "C2'"  .    ADD
 UD1      N1     C2     .    ADD
 UD1      C1B    C2B    .    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
 UD1      "C1'"  "C2'"     single      1.524    0.020
 UD1      "C1'"  "O1'"     single      1.426    0.020
 UD1      "O5'"  "C1'"     single      1.426    0.020
 UD1      "H1'"  "C1'"     single      1.099    0.020
 UD1      "C2'"  "C3'"     single      1.524    0.020
 UD1      "N2'"  "C2'"     single      1.450    0.020
 UD1      "H2'"  "C2'"     single      1.099    0.020
 UD1      "C3'"  "C4'"     single      1.524    0.020
 UD1      "O3'"  "C3'"     single      1.432    0.020
 UD1      "H3'"  "C3'"     single      1.099    0.020
 UD1      "C4'"  "C5'"     single      1.524    0.020
 UD1      "O4'"  "C4'"     single      1.432    0.020
 UD1      "H4'"  "C4'"     single      1.099    0.020
 UD1      "C6'"  "C5'"     single      1.524    0.020
 UD1      "C5'"  "O5'"     single      1.426    0.020
 UD1      "H5'"  "C5'"     single      1.099    0.020
 UD1      "O6'"  "C6'"     single      1.432    0.020
 UD1      "H6'1" "C6'"     single      1.092    0.020
 UD1      "H6'2" "C6'"     single      1.092    0.020
 UD1      "C8'"  "C7'"     single      1.500    0.020
 UD1      "C7'"  "N2'"     single      1.330    0.020
 UD1      "O7'"  "C7'"     double      1.220    0.020
 UD1      "H8'1" "C8'"     single      1.059    0.020
 UD1      "H8'2" "C8'"     single      1.059    0.020
 UD1      "H8'3" "C8'"     single      1.059    0.020
 UD1      "HN2'" "N2'"     single      1.010    0.020
 UD1      "O1'"  PB        single      1.610    0.020
 UD1      "HO3'" "O3'"     single      0.967    0.020
 UD1      "HO4'" "O4'"     single      0.967    0.020
 UD1      "HO6'" "O6'"     single      0.967    0.020
 UD1      N1     C2        single      1.410    0.020
 UD1      C6     N1        single      1.337    0.020
 UD1      N1     C1B       single      1.465    0.020
 UD1      C2     N3        single      1.337    0.020
 UD1      O2     C2        double      1.250    0.020
 UD1      N3     C4        single      1.337    0.020
 UD1      HN3    N3        single      1.040    0.020
 UD1      C4     C5        single      1.390    0.020
 UD1      O4     C4        double      1.250    0.020
 UD1      C5     C6        double      1.390    0.020
 UD1      H5     C5        single      1.083    0.020
 UD1      H6     C6        single      1.083    0.020
 UD1      C1B    C2B       single      1.524    0.020
 UD1      C1B    O4B       single      1.426    0.020
 UD1      H1B    C1B       single      1.099    0.020
 UD1      "O2'"  C2B       single      1.432    0.020
 UD1      C2B    C3B       single      1.524    0.020
 UD1      H2B    C2B       single      1.099    0.020
 UD1      "HO2'" "O2'"     single      0.967    0.020
 UD1      C3B    C4B       single      1.524    0.020
 UD1      O3B    C3B       single      1.432    0.020
 UD1      H3B    C3B       single      1.099    0.020
 UD1      O4B    C4B       single      1.426    0.020
 UD1      C4B    C5B       single      1.524    0.020
 UD1      H4B    C4B       single      1.099    0.020
 UD1      HO3A   O3B       single      0.967    0.020
 UD1      C5B    O5B       single      1.426    0.020
 UD1      "H5'1" C5B       single      1.092    0.020
 UD1      "H5'2" C5B       single      1.092    0.020
 UD1      O5B    PA        single      1.610    0.020
 UD1      O1A    PA        deloc       1.510    0.020
 UD1      O2A    PA        deloc       1.510    0.020
 UD1      PA     O3A       single      1.610    0.020
 UD1      O3A    PB        single      1.610    0.020
 UD1      O1B    PB        deloc       1.510    0.020
 UD1      PB     O2B       deloc       1.510    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
 UD1      O2B    PB     O1B     119.900    3.000
 UD1      O2B    PB     "O1'"   108.200    3.000
 UD1      O2B    PB     O3A     108.200    3.000
 UD1      O1B    PB     "O1'"   108.200    3.000
 UD1      O1B    PB     O3A     108.200    3.000
 UD1      "O1'"  PB     O3A     102.600    3.000
 UD1      PB     "O1'"  "C1'"   120.500    3.000
 UD1      "O1'"  "C1'"  "H1'"   109.470    3.000
 UD1      "O1'"  "C1'"  "O5'"   109.470    3.000
 UD1      "O1'"  "C1'"  "C2'"   109.470    3.000
 UD1      "H1'"  "C1'"  "O5'"   109.470    3.000
 UD1      "H1'"  "C1'"  "C2'"   108.340    3.000
 UD1      "O5'"  "C1'"  "C2'"   109.470    3.000
 UD1      "C1'"  "O5'"  "C5'"   111.800    3.000
 UD1      "O5'"  "C5'"  "H5'"   109.470    3.000
 UD1      "O5'"  "C5'"  "C6'"   109.470    3.000
 UD1      "O5'"  "C5'"  "C4'"   109.470    3.000
 UD1      "H5'"  "C5'"  "C6'"   108.340    3.000
 UD1      "H5'"  "C5'"  "C4'"   108.340    3.000
 UD1      "C6'"  "C5'"  "C4'"   111.000    3.000
 UD1      "C5'"  "C6'"  "H6'1"  109.470    3.000
 UD1      "C5'"  "C6'"  "H6'2"  109.470    3.000
 UD1      "C5'"  "C6'"  "O6'"   109.470    3.000
 UD1      "H6'1" "C6'"  "H6'2"  107.900    3.000
 UD1      "H6'1" "C6'"  "O6'"   109.470    3.000
 UD1      "H6'2" "C6'"  "O6'"   109.470    3.000
 UD1      "C6'"  "O6'"  "HO6'"  109.470    3.000
 UD1      "C5'"  "C4'"  "H4'"   108.340    3.000
 UD1      "C5'"  "C4'"  "O4'"   109.470    3.000
 UD1      "C5'"  "C4'"  "C3'"   111.000    3.000
 UD1      "H4'"  "C4'"  "O4'"   109.470    3.000
 UD1      "H4'"  "C4'"  "C3'"   108.340    3.000
 UD1      "O4'"  "C4'"  "C3'"   109.470    3.000
 UD1      "C4'"  "O4'"  "HO4'"  109.470    3.000
 UD1      "C4'"  "C3'"  "H3'"   108.340    3.000
 UD1      "C4'"  "C3'"  "O3'"   109.470    3.000
 UD1      "C4'"  "C3'"  "C2'"   111.000    3.000
 UD1      "H3'"  "C3'"  "O3'"   109.470    3.000
 UD1      "H3'"  "C3'"  "C2'"   108.340    3.000
 UD1      "O3'"  "C3'"  "C2'"   109.470    3.000
 UD1      "C3'"  "O3'"  "HO3'"  109.470    3.000
 UD1      "C3'"  "C2'"  "H2'"   108.340    3.000
 UD1      "C3'"  "C2'"  "N2'"   110.000    3.000
 UD1      "C3'"  "C2'"  "C1'"   111.000    3.000
 UD1      "H2'"  "C2'"  "N2'"   108.550    3.000
 UD1      "H2'"  "C2'"  "C1'"   108.340    3.000
 UD1      "N2'"  "C2'"  "C1'"   110.000    3.000
 UD1      "C2'"  "N2'"  "HN2'"  118.500    3.000
 UD1      "C2'"  "N2'"  "C7'"   121.500    3.000
 UD1      "HN2'" "N2'"  "C7'"   120.000    3.000
 UD1      "N2'"  "C7'"  "O7'"   123.000    3.000
 UD1      "N2'"  "C7'"  "C8'"   116.500    3.000
 UD1      "O7'"  "C7'"  "C8'"   123.000    3.000
 UD1      "C7'"  "C8'"  "H8'3"  109.470    3.000
 UD1      "C7'"  "C8'"  "H8'2"  109.470    3.000
 UD1      "C7'"  "C8'"  "H8'1"  109.470    3.000
 UD1      "H8'3" "C8'"  "H8'2"  109.470    3.000
 UD1      "H8'3" "C8'"  "H8'1"  109.470    3.000
 UD1      "H8'2" "C8'"  "H8'1"  109.470    3.000
 UD1      PB     O3A    PA      120.500    3.000
 UD1      O3A    PA     O1A     108.200    3.000
 UD1      O3A    PA     O2A     108.200    3.000
 UD1      O3A    PA     O5B     102.600    3.000
 UD1      O1A    PA     O2A     119.900    3.000
 UD1      O1A    PA     O5B     108.200    3.000
 UD1      O2A    PA     O5B     108.200    3.000
 UD1      PA     O5B    C5B     120.500    3.000
 UD1      O5B    C5B    "H5'1"  109.470    3.000
 UD1      O5B    C5B    "H5'2"  109.470    3.000
 UD1      O5B    C5B    C4B     109.470    3.000
 UD1      "H5'1" C5B    "H5'2"  107.900    3.000
 UD1      "H5'1" C5B    C4B     109.470    3.000
 UD1      "H5'2" C5B    C4B     109.470    3.000
 UD1      C5B    C4B    H4B     108.340    3.000
 UD1      C5B    C4B    C3B     111.000    3.000
 UD1      C5B    C4B    O4B     109.470    3.000
 UD1      H4B    C4B    C3B     108.340    3.000
 UD1      H4B    C4B    O4B     109.470    3.000
 UD1      C3B    C4B    O4B     109.470    3.000
 UD1      C4B    C3B    H3B     108.340    3.000
 UD1      C4B    C3B    O3B     109.470    3.000
 UD1      C4B    C3B    C2B     111.000    3.000
 UD1      H3B    C3B    O3B     109.470    3.000
 UD1      H3B    C3B    C2B     108.340    3.000
 UD1      O3B    C3B    C2B     109.470    3.000
 UD1      C3B    O3B    HO3A    109.470    3.000
 UD1      C3B    C2B    H2B     108.340    3.000
 UD1      C3B    C2B    "O2'"   109.470    3.000
 UD1      C3B    C2B    C1B     111.000    3.000
 UD1      H2B    C2B    "O2'"   109.470    3.000
 UD1      H2B    C2B    C1B     108.340    3.000
 UD1      "O2'"  C2B    C1B     109.470    3.000
 UD1      C2B    "O2'"  "HO2'"  109.470    3.000
 UD1      C4B    O4B    C1B     111.800    3.000
 UD1      O4B    C1B    H1B     109.470    3.000
 UD1      O4B    C1B    N1      109.470    3.000
 UD1      O4B    C1B    C2B     109.470    3.000
 UD1      H1B    C1B    N1      109.470    3.000
 UD1      H1B    C1B    C2B     108.340    3.000
 UD1      N1     C1B    C2B     109.470    3.000
 UD1      C1B    N1     C6      120.000    3.000
 UD1      C1B    N1     C2      120.000    3.000
 UD1      C6     N1     C2      120.000    3.000
 UD1      N1     C6     H6      120.000    3.000
 UD1      N1     C6     C5      120.000    3.000
 UD1      H6     C6     C5      120.000    3.000
 UD1      C6     C5     H5      120.000    3.000
 UD1      C6     C5     C4      120.000    3.000
 UD1      H5     C5     C4      120.000    3.000
 UD1      C5     C4     O4      120.000    3.000
 UD1      C5     C4     N3      120.000    3.000
 UD1      O4     C4     N3      120.000    3.000
 UD1      C4     N3     HN3     120.000    3.000
 UD1      C4     N3     C2      120.000    3.000
 UD1      HN3    N3     C2      120.000    3.000
 UD1      N3     C2     O2      120.000    3.000
 UD1      N3     C2     N1      120.000    3.000
 UD1      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
 UD1      var_1    O2B    PB     "O1'"  "C1'"     59.964   20.000   1
 UD1      var_2    PB     "O1'"  "C1'"  "O5'"     89.970   20.000   1
 UD1      var_3    "O1'"  "C1'"  "C2'"  "C3'"    -60.000   20.000   3
 UD1      var_4    "O1'"  "C1'"  "O5'"  "C5'"     60.000   20.000   1
 UD1      var_5    "C1'"  "O5'"  "C5'"  "C4'"     60.000   20.000   1
 UD1      var_6    "O5'"  "C5'"  "C6'"  "O6'"     59.703   20.000   3
 UD1      var_7    "C5'"  "C6'"  "O6'"  "HO6'"  -179.981   20.000   1
 UD1      var_8    "O5'"  "C5'"  "C4'"  "C3'"    -60.000   20.000   3
 UD1      var_9    "C5'"  "C4'"  "O4'"  "HO4'"   -60.395   20.000   1
 UD1      var_10   "C5'"  "C4'"  "C3'"  "C2'"     60.000   20.000   3
 UD1      var_11   "C4'"  "C3'"  "O3'"  "HO3'"    60.800   20.000   1
 UD1      var_12   "C4'"  "C3'"  "C2'"  "N2'"    180.000   20.000   3
 UD1      var_13   "C3'"  "C2'"  "N2'"  "C7'"   -150.178   20.000   3
 UD1      CONST_1  "C2'"  "N2'"  "C7'"  "C8'"    180.000    0.000   0
 UD1      var_14   "N2'"  "C7'"  "C8'"  "H8'1"   179.964   20.000   1
 UD1      var_15   O2B    PB     O3A    PA       -59.991   20.000   1
 UD1      var_16   PB     O3A    PA     O5B     -179.998   20.000   1
 UD1      var_17   O3A    PA     O5B    C5B     -179.978   20.000   1
 UD1      var_18   PA     O5B    C5B    C4B      179.998   20.000   1
 UD1      var_19   O5B    C5B    C4B    O4B       61.675   20.000   3
 UD1      var_20   C5B    C4B    C3B    C2B     -120.000   20.000   3
 UD1      var_21   C4B    C3B    O3B    HO3A     176.196   20.000   1
 UD1      var_22   C4B    C3B    C2B    "O2'"   -150.000   20.000   3
 UD1      var_23   C3B    C2B    "O2'"  "HO2'"   -67.255   20.000   1
 UD1      var_24   C5B    C4B    O4B    C1B      150.000   20.000   1
 UD1      var_25   C4B    O4B    C1B    N1      -150.000   20.000   1
 UD1      var_26   O4B    C1B    C2B    C3B       30.000   20.000   3
 UD1      var_27   O4B    C1B    N1     C6      -121.444   20.000   1
 UD1      CONST_2  C1B    N1     C2     N3       180.000    0.000   0
 UD1      CONST_3  C1B    N1     C6     C5       180.000    0.000   0
 UD1      CONST_4  N1     C6     C5     C4         0.000    0.000   0
 UD1      CONST_5  C6     C5     C4     N3         0.000    0.000   0
 UD1      CONST_6  C5     C4     N3     C2         0.000    0.000   0
 UD1      CONST_7  C4     N3     C2     O2       180.000    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
 UD1      chir_01  "C1'"  "C2'"  "O1'"  "O5'"     negativ
 UD1      chir_02  "C2'"  "C1'"  "C3'"  "N2'"     negativ
 UD1      chir_03  "C3'"  "C2'"  "C4'"  "O3'"     positiv
 UD1      chir_04  "C4'"  "C3'"  "C5'"  "O4'"     negativ
 UD1      chir_05  "C5'"  "C4'"  "C6'"  "O5'"     negativ
 UD1      chir_06  C1B    N1     C2B    O4B       negativ
 UD1      chir_07  C2B    C1B    "O2'"  C3B       positiv
 UD1      chir_08  C3B    C2B    C4B    O3B       negativ
 UD1      chir_09  C4B    C3B    O4B    C5B       positiv
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
 UD1      plan-1    "C7'"     0.020
 UD1      plan-1    "C8'"     0.020
 UD1      plan-1    "N2'"     0.020
 UD1      plan-1    "O7'"     0.020
 UD1      plan-1    "HN2'"    0.020
 UD1      plan-2    "N2'"     0.020
 UD1      plan-2    "C2'"     0.020
 UD1      plan-2    "C7'"     0.020
 UD1      plan-2    "HN2'"    0.020
 UD1      plan-3    N1        0.020
 UD1      plan-3    C2        0.020
 UD1      plan-3    C6        0.020
 UD1      plan-3    C1B       0.020
 UD1      plan-3    N3        0.020
 UD1      plan-3    C4        0.020
 UD1      plan-3    C5        0.020
 UD1      plan-3    O2        0.020
 UD1      plan-3    HN3       0.020
 UD1      plan-3    O4        0.020
 UD1      plan-3    H5        0.020
 UD1      plan-3    H6        0.020
# ------------------------------------------------------