File: X.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
X        X   '.                                   ' DNA                72  47 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_X
#
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
 X             OP3    O    OP       -0.666      0.000    0.000    0.000
 X             P      P    P         0.000     -1.430   -0.428   -0.250
 X             OP1    O    OP       -0.666     -2.121   -0.674    1.073
 X             OP2    O    OP       -0.666     -1.438   -1.700   -1.069
 X             "O5'"  O    O2        0.000     -2.205    0.732   -1.053
 X             "C5'"  C    CH2       0.000     -2.265    1.865   -0.185
 X             "H5'"  H    H         0.000     -1.252    2.180    0.073
 X             "H5''" H    H         0.000     -2.804    1.597    0.726
 X             "C4'"  C    CH1       0.000     -2.993    3.011   -0.891
 X             "H4'"  H    H         0.000     -2.547    3.203   -1.877
 X             "C3'"  C    CH1       0.000     -2.964    4.294   -0.022
 X             "H3'"  H    H         0.000     -3.073    4.047    1.043
 X             "C2'"  C    CH2       0.000     -4.204    5.064   -0.539
 X             "H2'"  H    H         0.000     -3.937    5.819   -1.281
 X             "H2''" H    H         0.000     -4.762    5.535    0.273
 X             "C1'"  C    CH1       0.000     -5.075    3.978   -1.199
 X             "H1'"  H    H         0.000     -5.188    4.191   -2.272
 X             "O4'"  O    O2        0.000     -4.404    2.719   -1.019
 X             N9     N    NR5       0.000     -6.391    3.936   -0.559
 X             C4     C    CR56      0.000     -7.469    4.719   -0.871
 X             N3     N    NRD6      0.000     -7.688    5.691   -1.766
 X             C2     C    CR6       0.000     -8.856    6.288   -1.847
 X             N2     N    NH2       0.000     -9.035    7.278   -2.780
 X             H22    H    H         0.000     -9.927    7.752   -2.859
 X             H21    H    H         0.000     -8.276    7.543   -3.397
 X             N1     N    NR16      0.000     -9.896    5.952   -1.031
 X             H1     H    H         0.000    -10.806    6.446   -1.124
 X             C6     C    CR6       0.000     -9.748    4.981   -0.103
 X             O6     O    O         0.000    -10.673    4.674    0.630
 X             C5     C    CR56      0.000     -8.498    4.327   -0.008
 X             N7     N    NR5       1.000     -8.006    3.343    0.783
 X             C8     C    CR15      0.000     -6.767    3.109    0.459
 X             H8     H    H         0.000     -6.131    2.369    0.927
 X             C8A    C    CH1       0.000     -8.753    2.647    1.833
 X             H8A    H    H         0.000     -9.435    3.350    2.332
 X             O7     O    O2        0.000     -7.844    2.098    2.789
 X             C9     C    CH1       0.000     -9.559    1.489    1.219
 X             H9     H    H         0.000     -9.174    1.240    0.220
 X             O9     O    OH1       0.000    -10.946    1.825    1.151
 X             HO9    H    H         0.000    -11.062    2.599    0.584
 X             C9A    C    CH1       0.000     -9.328    0.304    2.204
 X             H9A    H    H         0.000    -10.137    0.162    2.934
 X             C6A    C    CH1       0.000     -7.956    0.674    2.837
 X             H6A    H    H         0.000     -7.848    0.281    3.857
 X             O6A    O    O2        0.000     -7.019    0.081    1.924
 X             C9B    C    CR6       0.000     -8.979   -0.942    1.414
 X             C5M    C    CR6       0.000     -7.592   -0.992    1.316
 X             C5B    C    CR16      0.000     -6.983   -2.061    0.651
 X             H5B    H    H         0.000     -5.903   -2.110    0.590
 X             C4B    C    CR6       0.000     -7.747   -3.053    0.073
 X             O4     O    O2        0.000     -7.147   -4.092   -0.560
 X             CM     C    CH3       0.000     -5.738   -3.880   -0.458
 X             HM3    H    H         0.000     -5.458   -3.849    0.563
 X             HM2    H    H         0.000     -5.226   -4.672   -0.940
 X             HM1    H    H         0.000     -5.484   -2.962   -0.921
 X             C10    C    CR66      0.000     -9.770   -1.922    0.848
 X             C4A    C    CR66      0.000     -9.149   -2.978    0.135
 X             O10    O    O2       -0.500    -11.182   -1.928    0.918
 X             C11    C    CR6       0.000    -11.923   -2.489    0.080
 X             C12    C    CR6       0.000    -11.365   -3.711   -0.532
 X             C3A    C    CR6       0.000     -9.980   -3.920   -0.498
 X             C3     C    CH2       0.000     -9.648   -5.207   -1.183
 X             H31    H    H         0.000     -9.161   -5.904   -0.498
 X             H32    H    H         0.000     -9.004   -5.039   -2.048
 X             C2A    C    CH2       0.000    -10.993   -5.798   -1.648
 X             H2A2   H    H         0.000    -11.188   -6.765   -1.182
 X             H2A1   H    H         0.000    -11.029   -5.904   -2.734
 X             C1     C    C         0.000    -12.041   -4.799   -1.202
 X             O1     O    O         0.000    -13.238   -4.897   -1.376
 X             O11    O    O        -0.500    -13.055   -2.045   -0.217
 X             "O3'"  O    OH1       0.000     -1.768    5.040   -0.252
 X             "HO3'" H    H         0.000     -1.854    5.866    0.243
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
 X        OP3    n/a    P      START
 X        P      OP3    "O5'"  .
 X        OP1    P      .      .
 X        OP2    P      .      .
 X        "O5'"  P      "C5'"  .
 X        "C5'"  "O5'"  "C4'"  .
 X        "H5'"  "C5'"  .      .
 X        "H5''" "C5'"  .      .
 X        "C4'"  "C5'"  "C3'"  .
 X        "H4'"  "C4'"  .      .
 X        "C3'"  "C4'"  "O3'"  .
 X        "H3'"  "C3'"  .      .
 X        "C2'"  "C3'"  "C1'"  .
 X        "H2'"  "C2'"  .      .
 X        "H2''" "C2'"  .      .
 X        "C1'"  "C2'"  N9     .
 X        "H1'"  "C1'"  .      .
 X        "O4'"  "C1'"  .      .
 X        N9     "C1'"  C4     .
 X        C4     N9     C5     .
 X        N3     C4     C2     .
 X        C2     N3     N1     .
 X        N2     C2     H21    .
 X        H22    N2     .      .
 X        H21    N2     .      .
 X        N1     C2     C6     .
 X        H1     N1     .      .
 X        C6     N1     O6     .
 X        O6     C6     .      .
 X        C5     C4     N7     .
 X        N7     C5     C8A    .
 X        C8     N7     H8     .
 X        H8     C8     .      .
 X        C8A    N7     C9     .
 X        H8A    C8A    .      .
 X        O7     C8A    .      .
 X        C9     C8A    C9A    .
 X        H9     C9     .      .
 X        O9     C9     HO9    .
 X        HO9    O9     .      .
 X        C9A    C9     C9B    .
 X        H9A    C9A    .      .
 X        C6A    C9A    O6A    .
 X        H6A    C6A    .      .
 X        O6A    C6A    .      .
 X        C9B    C9A    C10    .
 X        C5M    C9B    C5B    .
 X        C5B    C5M    C4B    .
 X        H5B    C5B    .      .
 X        C4B    C5B    O4     .
 X        O4     C4B    CM     .
 X        CM     O4     HM1    .
 X        HM3    CM     .      .
 X        HM2    CM     .      .
 X        HM1    CM     .      .
 X        C10    C9B    O10    .
 X        C4A    C10    .      .
 X        O10    C10    C11    .
 X        C11    O10    O11    .
 X        C12    C11    C1     .
 X        C3A    C12    C3     .
 X        C3     C3A    C2A    .
 X        H31    C3     .      .
 X        H32    C3     .      .
 X        C2A    C3     H2A1   .
 X        H2A2   C2A    .      .
 X        H2A1   C2A    .      .
 X        C1     C12    O1     .
 X        O1     C1     .      .
 X        O11    C11    .      .
 X        "O3'"  "C3'"  .      END
 X        "HO3'" "O3'"  .      .
 X        "C4'"  "O4'"  .    ADD
 X        N9     C8     .    ADD
 X        C5     C6     .    ADD
 X        C1     C2A    .    ADD
 X        C3A    C4A    .    ADD
 X        C4A    C4B    .    ADD
 X        C5M    O6A    .    ADD
 X        C6A    O7     .    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
 X        OP1    P         deloc       1.510    0.020
 X        OP2    P         deloc       1.510    0.020
 X        P      OP3       deloc       1.510    0.020
 X        "O5'"  P         single      1.610    0.020
 X        "C5'"  "O5'"     single      1.426    0.020
 X        "C4'"  "C5'"     single      1.524    0.020
 X        "H5'"  "C5'"     single      1.092    0.020
 X        "H5''" "C5'"     single      1.092    0.020
 X        "C4'"  "O4'"     single      1.426    0.020
 X        "C3'"  "C4'"     single      1.524    0.020
 X        "H4'"  "C4'"     single      1.099    0.020
 X        "O4'"  "C1'"     single      1.426    0.020
 X        "O3'"  "C3'"     single      1.432    0.020
 X        "C2'"  "C3'"     single      1.524    0.020
 X        "H3'"  "C3'"     single      1.099    0.020
 X        "HO3'" "O3'"     single      0.967    0.020
 X        "C1'"  "C2'"     single      1.524    0.020
 X        "H2'"  "C2'"     single      1.092    0.020
 X        "H2''" "C2'"     single      1.092    0.020
 X        N9     "C1'"     single      1.485    0.020
 X        "H1'"  "C1'"     single      1.099    0.020
 X        N9     C8        single      1.337    0.020
 X        C4     N9        single      1.337    0.020
 X        C8     N7        double      1.337    0.020
 X        H8     C8        single      1.083    0.020
 X        N7     C5        single      1.337    0.020
 X        C8A    N7        single      1.485    0.020
 X        C5     C6        single      1.490    0.020
 X        C5     C4        double      1.490    0.020
 X        O6     C6        double      1.250    0.020
 X        C6     N1        single      1.337    0.020
 X        N1     C2        single      1.337    0.020
 X        H1     N1        single      1.040    0.020
 X        N2     C2        single      1.355    0.020
 X        C2     N3        double      1.350    0.020
 X        H21    N2        single      1.010    0.020
 X        H22    N2        single      1.010    0.020
 X        N3     C4        single      1.355    0.020
 X        O1     C1        double      1.220    0.020
 X        C1     C2A       single      1.510    0.020
 X        C1     C12       single      1.500    0.020
 X        C2A    C3        single      1.524    0.020
 X        H2A1   C2A       single      1.092    0.020
 X        H2A2   C2A       single      1.092    0.020
 X        C3     C3A       single      1.511    0.020
 X        H31    C3        single      1.092    0.020
 X        H32    C3        single      1.092    0.020
 X        C3A    C4A       single      1.490    0.020
 X        C3A    C12       double      1.487    0.020
 X        C4A    C4B       single      1.490    0.020
 X        C4A    C10       double      1.490    0.020
 X        O4     C4B       single      1.370    0.020
 X        C4B    C5B       double      1.390    0.020
 X        CM     O4        single      1.426    0.020
 X        HM1    CM        single      1.059    0.020
 X        HM2    CM        single      1.059    0.020
 X        HM3    CM        single      1.059    0.020
 X        C5B    C5M       single      1.390    0.020
 X        H5B    C5B       single      1.083    0.020
 X        C5M    O6A       single      1.370    0.020
 X        C5M    C9B       double      1.487    0.020
 X        O6A    C6A       single      1.426    0.020
 X        C6A    O7        single      1.426    0.020
 X        C6A    C9A       single      1.524    0.020
 X        H6A    C6A       single      1.099    0.020
 X        O7     C8A       single      1.426    0.020
 X        C9     C8A       single      1.524    0.020
 X        H8A    C8A       single      1.099    0.020
 X        O9     C9        single      1.432    0.020
 X        C9A    C9        single      1.524    0.020
 X        H9     C9        single      1.099    0.020
 X        HO9    O9        single      0.967    0.020
 X        C9B    C9A       single      1.480    0.020
 X        H9A    C9A       single      1.099    0.020
 X        C10    C9B       single      1.490    0.020
 X        O10    C10       single      1.370    0.020
 X        C11    O10       deloc       1.370    0.020
 X        O11    C11       deloc       1.250    0.020
 X        C12    C11       single      1.487    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
 X        OP3    P      OP1     119.900    3.000
 X        OP3    P      OP2     119.900    3.000
 X        OP3    P      "O5'"   108.200    3.000
 X        OP1    P      OP2     119.900    3.000
 X        OP1    P      "O5'"   108.200    3.000
 X        OP2    P      "O5'"   108.200    3.000
 X        P      "O5'"  "C5'"   120.500    3.000
 X        "O5'"  "C5'"  "H5'"   109.470    3.000
 X        "O5'"  "C5'"  "H5''"  109.470    3.000
 X        "O5'"  "C5'"  "C4'"   109.470    3.000
 X        "H5'"  "C5'"  "H5''"  107.900    3.000
 X        "H5'"  "C5'"  "C4'"   109.470    3.000
 X        "H5''" "C5'"  "C4'"   109.470    3.000
 X        "C5'"  "C4'"  "H4'"   108.340    3.000
 X        "C5'"  "C4'"  "C3'"   111.000    3.000
 X        "C5'"  "C4'"  "O4'"   109.470    3.000
 X        "H4'"  "C4'"  "C3'"   108.340    3.000
 X        "H4'"  "C4'"  "O4'"   109.470    3.000
 X        "C3'"  "C4'"  "O4'"   109.470    3.000
 X        "C4'"  "C3'"  "H3'"   108.340    3.000
 X        "C4'"  "C3'"  "C2'"   111.000    3.000
 X        "C4'"  "C3'"  "O3'"   109.470    3.000
 X        "H3'"  "C3'"  "C2'"   108.340    3.000
 X        "H3'"  "C3'"  "O3'"   109.470    3.000
 X        "C2'"  "C3'"  "O3'"   109.470    3.000
 X        "C3'"  "C2'"  "H2'"   109.470    3.000
 X        "C3'"  "C2'"  "H2''"  109.470    3.000
 X        "C3'"  "C2'"  "C1'"   111.000    3.000
 X        "H2'"  "C2'"  "H2''"  107.900    3.000
 X        "H2'"  "C2'"  "C1'"   109.470    3.000
 X        "H2''" "C2'"  "C1'"   109.470    3.000
 X        "C2'"  "C1'"  "H1'"   108.340    3.000
 X        "C2'"  "C1'"  "O4'"   109.470    3.000
 X        "C2'"  "C1'"  N9      109.470    3.000
 X        "H1'"  "C1'"  "O4'"   109.470    3.000
 X        "H1'"  "C1'"  N9      109.470    3.000
 X        "O4'"  "C1'"  N9      109.470    3.000
 X        "C1'"  "O4'"  "C4'"   111.800    3.000
 X        "C1'"  N9     C4      126.000    3.000
 X        "C1'"  N9     C8      126.000    3.000
 X        C4     N9     C8      108.000    3.000
 X        N9     C4     N3      132.000    3.000
 X        N9     C4     C5      108.000    3.000
 X        N3     C4     C5      120.000    3.000
 X        C4     N3     C2      120.000    3.000
 X        N3     C2     N2      120.000    3.000
 X        N3     C2     N1      120.000    3.000
 X        N2     C2     N1      120.000    3.000
 X        C2     N2     H22     120.000    3.000
 X        C2     N2     H21     120.000    3.000
 X        H22    N2     H21     120.000    3.000
 X        C2     N1     H1      120.000    3.000
 X        C2     N1     C6      120.000    3.000
 X        H1     N1     C6      120.000    3.000
 X        N1     C6     O6      120.000    3.000
 X        N1     C6     C5      120.000    3.000
 X        O6     C6     C5      120.000    3.000
 X        C4     C5     N7      108.000    3.000
 X        C4     C5     C6      120.000    3.000
 X        N7     C5     C6      120.000    3.000
 X        C5     N7     C8      108.000    3.000
 X        C5     N7     C8A     126.000    3.000
 X        C8     N7     C8A     126.000    3.000
 X        N7     C8     H8      126.000    3.000
 X        N7     C8     N9      108.000    3.000
 X        H8     C8     N9      126.000    3.000
 X        N7     C8A    H8A     109.470    3.000
 X        N7     C8A    O7      109.470    3.000
 X        N7     C8A    C9      109.470    3.000
 X        H8A    C8A    O7      109.470    3.000
 X        H8A    C8A    C9      108.340    3.000
 X        O7     C8A    C9      109.470    3.000
 X        C8A    O7     C6A     111.800    3.000
 X        C8A    C9     H9      108.340    3.000
 X        C8A    C9     O9      109.470    3.000
 X        C8A    C9     C9A     111.000    3.000
 X        H9     C9     O9      109.470    3.000
 X        H9     C9     C9A     108.340    3.000
 X        O9     C9     C9A     109.470    3.000
 X        C9     O9     HO9     109.470    3.000
 X        C9     C9A    H9A     108.340    3.000
 X        C9     C9A    C6A     111.000    3.000
 X        C9     C9A    C9B     109.470    3.000
 X        H9A    C9A    C6A     108.340    3.000
 X        H9A    C9A    C9B     109.470    3.000
 X        C6A    C9A    C9B     109.470    3.000
 X        C9A    C6A    H6A     108.340    3.000
 X        C9A    C6A    O6A     109.470    3.000
 X        C9A    C6A    O7      109.470    3.000
 X        H6A    C6A    O6A     109.470    3.000
 X        H6A    C6A    O7      109.470    3.000
 X        O6A    C6A    O7      109.470    3.000
 X        C6A    O6A    C5M     120.000    3.000
 X        C9A    C9B    C5M     120.000    3.000
 X        C9A    C9B    C10     120.000    3.000
 X        C5M    C9B    C10     120.000    3.000
 X        C9B    C5M    C5B     120.000    3.000
 X        C9B    C5M    O6A     120.000    3.000
 X        C5B    C5M    O6A     120.000    3.000
 X        C5M    C5B    H5B     120.000    3.000
 X        C5M    C5B    C4B     120.000    3.000
 X        H5B    C5B    C4B     120.000    3.000
 X        C5B    C4B    O4      120.000    3.000
 X        C5B    C4B    C4A     120.000    3.000
 X        O4     C4B    C4A     120.000    3.000
 X        C4B    O4     CM      120.000    3.000
 X        O4     CM     HM3     109.470    3.000
 X        O4     CM     HM2     109.470    3.000
 X        O4     CM     HM1     109.470    3.000
 X        HM3    CM     HM2     109.470    3.000
 X        HM3    CM     HM1     109.470    3.000
 X        HM2    CM     HM1     109.470    3.000
 X        C9B    C10    C4A     120.000    3.000
 X        C9B    C10    O10     120.000    3.000
 X        C4A    C10    O10     120.000    3.000
 X        C10    C4A    C3A     120.000    3.000
 X        C10    C4A    C4B     120.000    3.000
 X        C3A    C4A    C4B     120.000    3.000
 X        C10    O10    C11     120.000    3.000
 X        O10    C11    C12     120.000    3.000
 X        O10    C11    O11     120.000    3.000
 X        C12    C11    O11     120.000    3.000
 X        C11    C12    C3A     120.000    3.000
 X        C11    C12    C1      120.000    3.000
 X        C3A    C12    C1      120.000    3.000
 X        C12    C3A    C3      120.000    3.000
 X        C12    C3A    C4A     120.000    3.000
 X        C3     C3A    C4A     120.000    3.000
 X        C3A    C3     H31     109.470    3.000
 X        C3A    C3     H32     109.470    3.000
 X        C3A    C3     C2A     109.470    3.000
 X        H31    C3     H32     107.900    3.000
 X        H31    C3     C2A     109.470    3.000
 X        H32    C3     C2A     109.470    3.000
 X        C3     C2A    H2A2    109.470    3.000
 X        C3     C2A    H2A1    109.470    3.000
 X        C3     C2A    C1      109.470    3.000
 X        H2A2   C2A    H2A1    107.900    3.000
 X        H2A2   C2A    C1      109.470    3.000
 X        H2A1   C2A    C1      109.470    3.000
 X        C12    C1     O1      120.500    3.000
 X        C12    C1     C2A     120.000    3.000
 X        O1     C1     C2A     120.500    3.000
 X        "C3'"  "O3'"  "HO3'"  109.470    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
 X        var_1    OP3    P      "O5'"  "C5'"    -65.029   20.000   1
 X        var_2    P      "O5'"  "C5'"  "C4'"    179.963   20.000   1
 X        var_3    "O5'"  "C5'"  "C4'"  "C3'"   -174.991   20.000   3
 X        var_4    "C5'"  "C4'"  "O4'"  "C1'"    150.000   20.000   1
 X        var_5    "C5'"  "C4'"  "C3'"  "O3'"     90.000   20.000   3
 X        var_6    "C4'"  "C3'"  "C2'"  "C1'"     30.000   20.000   3
 X        var_7    "C3'"  "C2'"  "C1'"  N9       120.000   20.000   3
 X        var_8    "C2'"  "C1'"  "O4'"  "C4'"    -30.000   20.000   1
 X        var_9    "C2'"  "C1'"  N9     C4        85.299   20.000   1
 X        CONST_1  "C1'"  N9     C8     N7       180.000    0.000   0
 X        CONST_2  "C1'"  N9     C4     C5       180.000    0.000   0
 X        CONST_3  N9     C4     N3     C2       180.000    0.000   0
 X        CONST_4  C4     N3     C2     N1         0.000    0.000   0
 X        CONST_5  N3     C2     N2     H21        0.056    0.000   0
 X        CONST_6  N3     C2     N1     C6         0.000    0.000   0
 X        CONST_7  C2     N1     C6     O6       180.000    0.000   0
 X        CONST_8  N9     C4     C5     N7         0.000    0.000   0
 X        CONST_9  C4     C5     C6     N1         0.000    0.000   0
 X        CONST_10 C4     C5     N7     C8A      180.000    0.000   0
 X        CONST_11 C5     N7     C8     N9         0.000    0.000   0
 X        var_10   C5     N7     C8A    C9        84.540   20.000   1
 X        var_11   N7     C8A    O7     C6A     -120.000   20.000   1
 X        var_12   N7     C8A    C9     C9A      150.000   20.000   3
 X        var_13   C8A    C9     O9     HO9       61.440   20.000   1
 X        var_14   C8A    C9     C9A    C9B     -120.000   20.000   3
 X        var_15   C9     C9A    C6A    O6A      -90.000   20.000   3
 X        var_16   C9A    C6A    O7     C8A      -30.000   20.000   1
 X        var_17   C9A    C6A    O6A    C5M      -30.000   20.000   1
 X        var_18   C9     C9A    C9B    C10      -90.000   20.000   1
 X        CONST_12 C9A    C9B    C5M    C5B      180.000    0.000   0
 X        var_19   C9B    C5M    O6A    C6A       30.000   20.000   1
 X        CONST_13 C9B    C5M    C5B    C4B        0.000    0.000   0
 X        CONST_14 C5M    C5B    C4B    O4       180.000    0.000   0
 X        var_20   C5B    C4B    O4     CM         0.063   20.000   1
 X        var_21   C4B    O4     CM     HM1      -60.055   20.000   1
 X        CONST_15 C9A    C9B    C10    O10        0.000    0.000   0
 X        CONST_16 C9B    C10    C4A    C3A      180.000    0.000   0
 X        CONST_17 C10    C4A    C4B    C5B        0.000    0.000   0
 X        CONST_18 C9B    C10    O10    C11      150.000    0.000   0
 X        CONST_19 C10    O10    C11    O11     -150.000    0.000   0
 X        CONST_20 O10    C11    C12    C1       150.000    0.000   0
 X        CONST_21 C11    C12    C3A    C3       180.000    0.000   0
 X        CONST_22 C12    C3A    C4A    C10        0.000    0.000   0
 X        var_22   C12    C3A    C3     C2A        0.000   20.000   2
 X        var_23   C3A    C3     C2A    C1         0.000   20.000   3
 X        var_24   C11    C12    C1     O1         0.000   20.000   1
 X        var_25   C12    C1     C2A    C3         0.000   20.000   3
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
 X        chir_01  "C4'"  "C5'"  "O4'"  "C3'"     negativ
 X        chir_02  "C3'"  "C4'"  "O3'"  "C2'"     negativ
 X        chir_03  "C1'"  "O4'"  "C2'"  N9        positiv
 X        chir_04  C6A    O6A    O7     C9A       negativ
 X        chir_05  C8A    N7     O7     C9        positiv
 X        chir_06  C9     C8A    O9     C9A       positiv
 X        chir_07  C9A    C6A    C9     C9B       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
 X        plan-1    N9        0.020
 X        plan-1    "C1'"     0.020
 X        plan-1    C8        0.020
 X        plan-1    C4        0.020
 X        plan-1    N7        0.020
 X        plan-1    H8        0.020
 X        plan-1    C5        0.020
 X        plan-1    C8A       0.020
 X        plan-1    C6        0.020
 X        plan-1    N1        0.020
 X        plan-1    C2        0.020
 X        plan-1    N3        0.020
 X        plan-1    O6        0.020
 X        plan-1    H1        0.020
 X        plan-1    N2        0.020
 X        plan-1    H22       0.020
 X        plan-1    H21       0.020
 X        plan-2    N2        0.020
 X        plan-2    C2        0.020
 X        plan-2    H21       0.020
 X        plan-2    H22       0.020
 X        plan-3    C1        0.020
 X        plan-3    O1        0.020
 X        plan-3    C2A       0.020
 X        plan-3    C12       0.020
 X        plan-4    C3A       0.020
 X        plan-4    C3        0.020
 X        plan-4    C4A       0.020
 X        plan-4    C12       0.020
 X        plan-4    O10       0.020
 X        plan-4    C11       0.020
 X        plan-4    C4B       0.020
 X        plan-4    C10       0.020
 X        plan-4    C5B       0.020
 X        plan-4    C5M       0.020
 X        plan-4    C9B       0.020
 X        plan-4    O4        0.020
 X        plan-4    H5B       0.020
 X        plan-4    O6A       0.020
 X        plan-4    C9A       0.020
 X        plan-4    O11       0.020
 X        plan-4    C1        0.020
# ------------------------------------------------------