File: OAD.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
OAD      OAD '.                                   ' non-polymer        62  39 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_OAD
#
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
 OAD           O6D    O    O        -0.500      0.000    0.000    0.000
 OAD           C6D    C    C         0.000      0.000    0.000    0.000
 OAD           C7D    C    CH3       0.000      0.000    0.000    0.000
 OAD           H7R3   H    H         0.000      0.000    0.000    0.000
 OAD           H7R2   H    H         0.000      0.000    0.000    0.000
 OAD           H7R1   H    H         0.000      0.000    0.000    0.000
 OAD           O2D    O    O2       -0.500      0.000    0.000    0.000
 OAD           C2D    C    CH1       0.000      0.000    0.000    0.000
 OAD           "HR'2" H    H         0.000      0.000    0.000    0.000
 OAD           C1D    C    CH1       0.000      0.000    0.000    0.000
 OAD           "HR'1" H    H         0.000      0.000    0.000    0.000
 OAD           O1D    O    OH1       0.000      0.000    0.000    0.000
 OAD           HOR1   H    H         0.000      0.000    0.000    0.000
 OAD           O4D    O    O2        0.000      0.000    0.000    0.000
 OAD           C3D    C    CH1       0.000      0.000    0.000    0.000
 OAD           "HR'3" H    H         0.000      0.000    0.000    0.000
 OAD           O3D    O    OH1       0.000      0.000    0.000    0.000
 OAD           HOR3   H    H         0.000      0.000    0.000    0.000
 OAD           C4D    C    CH1       0.000      0.000    0.000    0.000
 OAD           "HR'4" H    H         0.000      0.000    0.000    0.000
 OAD           C5D    C    CH2       0.000      0.000    0.000    0.000
 OAD           H5R1   H    H         0.000      0.000    0.000    0.000
 OAD           H5R2   H    H         0.000      0.000    0.000    0.000
 OAD           O5D    O    O2        0.000      0.000    0.000    0.000
 OAD           PB     P    P         0.000      0.000    0.000    0.000
 OAD           O1B    O    OP       -0.500      0.000    0.000    0.000
 OAD           O2B    O    OP       -0.500      0.000    0.000    0.000
 OAD           O3A    O    O2        0.000      0.000    0.000    0.000
 OAD           PA     P    P         0.000      0.000    0.000    0.000
 OAD           O1A    O    OP       -0.500      0.000    0.000    0.000
 OAD           O2A    O    OP       -0.500      0.000    0.000    0.000
 OAD           "O5'"  O    O2        0.000      0.000    0.000    0.000
 OAD           "C5'"  C    CH2       0.000      0.000    0.000    0.000
 OAD           "H5'1" H    H         0.000      0.000    0.000    0.000
 OAD           "H5'2" H    H         0.000      0.000    0.000    0.000
 OAD           "C4'"  C    CH1       0.000      0.000    0.000    0.000
 OAD           "H'4"  H    H         0.000      0.000    0.000    0.000
 OAD           "C3'"  C    CH1       0.000      0.000    0.000    0.000
 OAD           "H'3"  H    H         0.000      0.000    0.000    0.000
 OAD           "O3'"  O    OH1       0.000      0.000    0.000    0.000
 OAD           "HO'3" H    H         0.000      0.000    0.000    0.000
 OAD           "C2'"  C    CH1       0.000      0.000    0.000    0.000
 OAD           "H'2"  H    H         0.000      0.000    0.000    0.000
 OAD           "O2'"  O    OH1       0.000      0.000    0.000    0.000
 OAD           "HO'2" H    H         0.000      0.000    0.000    0.000
 OAD           "C1'"  C    CH1       0.000      0.000    0.000    0.000
 OAD           "H'1"  H    H         0.000      0.000    0.000    0.000
 OAD           "O4'"  O    O2        0.000      0.000    0.000    0.000
 OAD           N9     N    NR5       0.000      0.000    0.000    0.000
 OAD           C4     C    CR56      0.000      0.000    0.000    0.000
 OAD           C5     C    CR56      0.000      0.000    0.000    0.000
 OAD           N7     N    NRD5      0.000      0.000    0.000    0.000
 OAD           C8     C    CR15      0.000      0.000    0.000    0.000
 OAD           H8     H    H         0.000      0.000    0.000    0.000
 OAD           N3     N    NRD6      0.000      0.000    0.000    0.000
 OAD           C2     C    CR16      0.000      0.000    0.000    0.000
 OAD           H2     H    H         0.000      0.000    0.000    0.000
 OAD           N1     N    NRD6      0.000      0.000    0.000    0.000
 OAD           C6     C    CR6       0.000      0.000    0.000    0.000
 OAD           N6     N    NH2       0.000      0.000    0.000    0.000
 OAD           H62    H    H         0.000      0.000    0.000    0.000
 OAD           H61    H    H         0.000      0.000    0.000    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
 OAD      O6D    n/a    C6D    START
 OAD      C6D    O6D    O2D    .
 OAD      C7D    C6D    H7R1   .
 OAD      H7R3   C7D    .      .
 OAD      H7R2   C7D    .      .
 OAD      H7R1   C7D    .      .
 OAD      O2D    C6D    C2D    .
 OAD      C2D    O2D    C3D    .
 OAD      "HR'2" C2D    .      .
 OAD      C1D    C2D    O4D    .
 OAD      "HR'1" C1D    .      .
 OAD      O1D    C1D    HOR1   .
 OAD      HOR1   O1D    .      .
 OAD      O4D    C1D    .      .
 OAD      C3D    C2D    C4D    .
 OAD      "HR'3" C3D    .      .
 OAD      O3D    C3D    HOR3   .
 OAD      HOR3   O3D    .      .
 OAD      C4D    C3D    C5D    .
 OAD      "HR'4" C4D    .      .
 OAD      C5D    C4D    O5D    .
 OAD      H5R1   C5D    .      .
 OAD      H5R2   C5D    .      .
 OAD      O5D    C5D    PB     .
 OAD      PB     O5D    O3A    .
 OAD      O1B    PB     .      .
 OAD      O2B    PB     .      .
 OAD      O3A    PB     PA     .
 OAD      PA     O3A    "O5'"  .
 OAD      O1A    PA     .      .
 OAD      O2A    PA     .      .
 OAD      "O5'"  PA     "C5'"  .
 OAD      "C5'"  "O5'"  "C4'"  .
 OAD      "H5'1" "C5'"  .      .
 OAD      "H5'2" "C5'"  .      .
 OAD      "C4'"  "C5'"  "C3'"  .
 OAD      "H'4"  "C4'"  .      .
 OAD      "C3'"  "C4'"  "C2'"  .
 OAD      "H'3"  "C3'"  .      .
 OAD      "O3'"  "C3'"  "HO'3" .
 OAD      "HO'3" "O3'"  .      .
 OAD      "C2'"  "C3'"  "C1'"  .
 OAD      "H'2"  "C2'"  .      .
 OAD      "O2'"  "C2'"  "HO'2" .
 OAD      "HO'2" "O2'"  .      .
 OAD      "C1'"  "C2'"  N9     .
 OAD      "H'1"  "C1'"  .      .
 OAD      "O4'"  "C1'"  .      .
 OAD      N9     "C1'"  C4     .
 OAD      C4     N9     N3     .
 OAD      C5     C4     N7     .
 OAD      N7     C5     C8     .
 OAD      C8     N7     H8     .
 OAD      H8     C8     .      .
 OAD      N3     C4     C2     .
 OAD      C2     N3     N1     .
 OAD      H2     C2     .      .
 OAD      N1     C2     C6     .
 OAD      C6     N1     N6     .
 OAD      N6     C6     H61    .
 OAD      H62    N6     .      .
 OAD      H61    N6     .      END
 OAD      "C4'"  "O4'"  .    ADD
 OAD      N9     C8     .    ADD
 OAD      C5     C6     .    ADD
 OAD      C4D    O4D    .    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
 OAD      O1A    PA        deloc       1.510    0.020
 OAD      O2A    PA        deloc       1.510    0.020
 OAD      "O5'"  PA        single      1.610    0.020
 OAD      PA     O3A       single      1.610    0.020
 OAD      "C5'"  "O5'"     single      1.426    0.020
 OAD      "C4'"  "C5'"     single      1.524    0.020
 OAD      "H5'1" "C5'"     single      1.092    0.020
 OAD      "H5'2" "C5'"     single      1.092    0.020
 OAD      "C4'"  "O4'"     single      1.426    0.020
 OAD      "C3'"  "C4'"     single      1.524    0.020
 OAD      "H'4"  "C4'"     single      1.099    0.020
 OAD      "O4'"  "C1'"     single      1.426    0.020
 OAD      "O3'"  "C3'"     single      1.432    0.020
 OAD      "C2'"  "C3'"     single      1.524    0.020
 OAD      "H'3"  "C3'"     single      1.099    0.020
 OAD      "HO'3" "O3'"     single      0.967    0.020
 OAD      "O2'"  "C2'"     single      1.432    0.020
 OAD      "C1'"  "C2'"     single      1.524    0.020
 OAD      "H'2"  "C2'"     single      1.099    0.020
 OAD      "HO'2" "O2'"     single      0.967    0.020
 OAD      N9     "C1'"     single      1.485    0.020
 OAD      "H'1"  "C1'"     single      1.099    0.020
 OAD      N9     C8        single      1.337    0.020
 OAD      C4     N9        single      1.337    0.020
 OAD      C8     N7        double      1.350    0.020
 OAD      H8     C8        single      1.083    0.020
 OAD      N7     C5        single      1.350    0.020
 OAD      C5     C6        double      1.490    0.020
 OAD      C5     C4        single      1.490    0.020
 OAD      N6     C6        single      1.355    0.020
 OAD      C6     N1        single      1.350    0.020
 OAD      H61    N6        single      1.010    0.020
 OAD      H62    N6        single      1.010    0.020
 OAD      N1     C2        double      1.337    0.020
 OAD      C2     N3        single      1.337    0.020
 OAD      H2     C2        single      1.083    0.020
 OAD      N3     C4        double      1.355    0.020
 OAD      O3A    PB        single      1.610    0.020
 OAD      O1B    PB        deloc       1.510    0.020
 OAD      O2B    PB        deloc       1.510    0.020
 OAD      PB     O5D       single      1.610    0.020
 OAD      C2D    O2D       single      1.426    0.020
 OAD      O2D    C6D       deloc       1.454    0.020
 OAD      O5D    C5D       single      1.426    0.020
 OAD      C5D    C4D       single      1.524    0.020
 OAD      H5R1   C5D       single      1.092    0.020
 OAD      H5R2   C5D       single      1.092    0.020
 OAD      C4D    O4D       single      1.426    0.020
 OAD      C4D    C3D       single      1.524    0.020
 OAD      "HR'4" C4D       single      1.099    0.020
 OAD      O4D    C1D       single      1.426    0.020
 OAD      O3D    C3D       single      1.432    0.020
 OAD      C3D    C2D       single      1.524    0.020
 OAD      "HR'3" C3D       single      1.099    0.020
 OAD      HOR3   O3D       single      0.967    0.020
 OAD      C1D    C2D       single      1.524    0.020
 OAD      "HR'2" C2D       single      1.099    0.020
 OAD      O1D    C1D       single      1.432    0.020
 OAD      "HR'1" C1D       single      1.099    0.020
 OAD      HOR1   O1D       single      0.967    0.020
 OAD      C6D    O6D       deloc       1.220    0.020
 OAD      C7D    C6D       single      1.500    0.020
 OAD      H7R1   C7D       single      1.059    0.020
 OAD      H7R2   C7D       single      1.059    0.020
 OAD      H7R3   C7D       single      1.059    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
 OAD      O6D    C6D    C7D     123.000    3.000
 OAD      O6D    C6D    O2D     119.000    3.000
 OAD      C7D    C6D    O2D     120.000    3.000
 OAD      C6D    C7D    H7R3    109.470    3.000
 OAD      C6D    C7D    H7R2    109.470    3.000
 OAD      C6D    C7D    H7R1    109.470    3.000
 OAD      H7R3   C7D    H7R2    109.470    3.000
 OAD      H7R3   C7D    H7R1    109.470    3.000
 OAD      H7R2   C7D    H7R1    109.470    3.000
 OAD      C6D    O2D    C2D     111.800    3.000
 OAD      O2D    C2D    "HR'2"  109.470    3.000
 OAD      O2D    C2D    C1D     109.470    3.000
 OAD      O2D    C2D    C3D     109.470    3.000
 OAD      "HR'2" C2D    C1D     108.340    3.000
 OAD      "HR'2" C2D    C3D     108.340    3.000
 OAD      C1D    C2D    C3D     111.000    3.000
 OAD      C2D    C1D    "HR'1"  108.340    3.000
 OAD      C2D    C1D    O1D     109.470    3.000
 OAD      C2D    C1D    O4D     109.470    3.000
 OAD      "HR'1" C1D    O1D     109.470    3.000
 OAD      "HR'1" C1D    O4D     109.470    3.000
 OAD      O1D    C1D    O4D     109.470    3.000
 OAD      C1D    O1D    HOR1    109.470    3.000
 OAD      C1D    O4D    C4D     111.800    3.000
 OAD      C2D    C3D    "HR'3"  108.340    3.000
 OAD      C2D    C3D    O3D     109.470    3.000
 OAD      C2D    C3D    C4D     111.000    3.000
 OAD      "HR'3" C3D    O3D     109.470    3.000
 OAD      "HR'3" C3D    C4D     108.340    3.000
 OAD      O3D    C3D    C4D     109.470    3.000
 OAD      C3D    O3D    HOR3    109.470    3.000
 OAD      C3D    C4D    "HR'4"  108.340    3.000
 OAD      C3D    C4D    C5D     111.000    3.000
 OAD      C3D    C4D    O4D     109.470    3.000
 OAD      "HR'4" C4D    C5D     108.340    3.000
 OAD      "HR'4" C4D    O4D     109.470    3.000
 OAD      C5D    C4D    O4D     109.470    3.000
 OAD      C4D    C5D    H5R1    109.470    3.000
 OAD      C4D    C5D    H5R2    109.470    3.000
 OAD      C4D    C5D    O5D     109.470    3.000
 OAD      H5R1   C5D    H5R2    107.900    3.000
 OAD      H5R1   C5D    O5D     109.470    3.000
 OAD      H5R2   C5D    O5D     109.470    3.000
 OAD      C5D    O5D    PB      120.500    3.000
 OAD      O5D    PB     O1B     108.200    3.000
 OAD      O5D    PB     O2B     108.200    3.000
 OAD      O5D    PB     O3A     102.600    3.000
 OAD      O1B    PB     O2B     119.900    3.000
 OAD      O1B    PB     O3A     108.200    3.000
 OAD      O2B    PB     O3A     108.200    3.000
 OAD      PB     O3A    PA      120.500    3.000
 OAD      O3A    PA     O1A     108.200    3.000
 OAD      O3A    PA     O2A     108.200    3.000
 OAD      O3A    PA     "O5'"   102.600    3.000
 OAD      O1A    PA     O2A     119.900    3.000
 OAD      O1A    PA     "O5'"   108.200    3.000
 OAD      O2A    PA     "O5'"   108.200    3.000
 OAD      PA     "O5'"  "C5'"   120.500    3.000
 OAD      "O5'"  "C5'"  "H5'1"  109.470    3.000
 OAD      "O5'"  "C5'"  "H5'2"  109.470    3.000
 OAD      "O5'"  "C5'"  "C4'"   109.470    3.000
 OAD      "H5'1" "C5'"  "H5'2"  107.900    3.000
 OAD      "H5'1" "C5'"  "C4'"   109.470    3.000
 OAD      "H5'2" "C5'"  "C4'"   109.470    3.000
 OAD      "C5'"  "C4'"  "H'4"   108.340    3.000
 OAD      "C5'"  "C4'"  "C3'"   111.000    3.000
 OAD      "C5'"  "C4'"  "O4'"   109.470    3.000
 OAD      "H'4"  "C4'"  "C3'"   108.340    3.000
 OAD      "H'4"  "C4'"  "O4'"   109.470    3.000
 OAD      "C3'"  "C4'"  "O4'"   109.470    3.000
 OAD      "C4'"  "C3'"  "H'3"   108.340    3.000
 OAD      "C4'"  "C3'"  "O3'"   109.470    3.000
 OAD      "C4'"  "C3'"  "C2'"   111.000    3.000
 OAD      "H'3"  "C3'"  "O3'"   109.470    3.000
 OAD      "H'3"  "C3'"  "C2'"   108.340    3.000
 OAD      "O3'"  "C3'"  "C2'"   109.470    3.000
 OAD      "C3'"  "O3'"  "HO'3"  109.470    3.000
 OAD      "C3'"  "C2'"  "H'2"   108.340    3.000
 OAD      "C3'"  "C2'"  "O2'"   109.470    3.000
 OAD      "C3'"  "C2'"  "C1'"   111.000    3.000
 OAD      "H'2"  "C2'"  "O2'"   109.470    3.000
 OAD      "H'2"  "C2'"  "C1'"   108.340    3.000
 OAD      "O2'"  "C2'"  "C1'"   109.470    3.000
 OAD      "C2'"  "O2'"  "HO'2"  109.470    3.000
 OAD      "C2'"  "C1'"  "H'1"   108.340    3.000
 OAD      "C2'"  "C1'"  "O4'"   109.470    3.000
 OAD      "C2'"  "C1'"  N9      109.470    3.000
 OAD      "H'1"  "C1'"  "O4'"   109.470    3.000
 OAD      "H'1"  "C1'"  N9      109.470    3.000
 OAD      "O4'"  "C1'"  N9      109.470    3.000
 OAD      "C1'"  "O4'"  "C4'"   111.800    3.000
 OAD      "C1'"  N9     C4      126.000    3.000
 OAD      "C1'"  N9     C8      126.000    3.000
 OAD      C4     N9     C8      108.000    3.000
 OAD      N9     C4     C5      108.000    3.000
 OAD      N9     C4     N3      132.000    3.000
 OAD      C5     C4     N3      120.000    3.000
 OAD      C4     C5     N7      108.000    3.000
 OAD      C4     C5     C6      120.000    3.000
 OAD      N7     C5     C6      132.000    3.000
 OAD      C5     N7     C8      108.000    3.000
 OAD      N7     C8     H8      126.000    3.000
 OAD      N7     C8     N9      108.000    3.000
 OAD      H8     C8     N9      126.000    3.000
 OAD      C4     N3     C2      120.000    3.000
 OAD      N3     C2     H2      120.000    3.000
 OAD      N3     C2     N1      120.000    3.000
 OAD      H2     C2     N1      120.000    3.000
 OAD      C2     N1     C6      120.000    3.000
 OAD      N1     C6     N6      120.000    3.000
 OAD      N1     C6     C5      120.000    3.000
 OAD      N6     C6     C5      120.000    3.000
 OAD      C6     N6     H62     120.000    3.000
 OAD      C6     N6     H61     120.000    3.000
 OAD      H62    N6     H61     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
 OAD      var_1    O6D    C6D    C7D    H7R1       0.000   20.000   1
 OAD      var_2    O6D    C6D    O2D    C2D        0.000   20.000   1
 OAD      var_3    C6D    O2D    C2D    C3D        0.000   20.000   1
 OAD      var_4    O2D    C2D    C1D    O4D        0.000   20.000   3
 OAD      var_5    C2D    C1D    O1D    HOR1       0.000   20.000   1
 OAD      var_6    C2D    C1D    O4D    C4D        0.000   20.000   1
 OAD      var_7    O2D    C2D    C3D    C4D        0.000   20.000   3
 OAD      var_8    C2D    C3D    O3D    HOR3       0.000   20.000   1
 OAD      var_9    C2D    C3D    C4D    C5D        0.000   20.000   3
 OAD      var_10   C3D    C4D    O4D    C1D        0.000   20.000   1
 OAD      var_11   C3D    C4D    C5D    O5D        0.000   20.000   3
 OAD      var_12   C4D    C5D    O5D    PB         0.000   20.000   1
 OAD      var_13   C5D    O5D    PB     O3A        0.000   20.000   1
 OAD      var_14   O5D    PB     O3A    PA         0.000   20.000   1
 OAD      var_15   PB     O3A    PA     "O5'"      0.000   20.000   1
 OAD      var_16   O3A    PA     "O5'"  "C5'"      0.000   20.000   1
 OAD      var_17   PA     "O5'"  "C5'"  "C4'"      0.000   20.000   1
 OAD      var_18   "O5'"  "C5'"  "C4'"  "C3'"      0.000   20.000   3
 OAD      var_19   "C5'"  "C4'"  "O4'"  "C1'"      0.000   20.000   1
 OAD      var_20   "C5'"  "C4'"  "C3'"  "C2'"      0.000   20.000   3
 OAD      var_21   "C4'"  "C3'"  "O3'"  "HO'3"     0.000   20.000   1
 OAD      var_22   "C4'"  "C3'"  "C2'"  "C1'"      0.000   20.000   3
 OAD      var_23   "C3'"  "C2'"  "O2'"  "HO'2"     0.000   20.000   1
 OAD      var_24   "C3'"  "C2'"  "C1'"  N9         0.000   20.000   3
 OAD      var_25   "C2'"  "C1'"  "O4'"  "C4'"      0.000   20.000   1
 OAD      var_26   "C2'"  "C1'"  N9     C4         0.000   20.000   1
 OAD      CONST_1  "C1'"  N9     C8     N7         0.000    0.000   0
 OAD      CONST_2  "C1'"  N9     C4     N3         0.000    0.000   0
 OAD      CONST_3  N9     C4     C5     N7         0.000    0.000   0
 OAD      CONST_4  C4     C5     C6     N1         0.000    0.000   0
 OAD      CONST_5  C4     C5     N7     C8         0.000    0.000   0
 OAD      CONST_6  C5     N7     C8     N9         0.000    0.000   0
 OAD      CONST_7  N9     C4     N3     C2         0.000    0.000   0
 OAD      CONST_8  C4     N3     C2     N1         0.000    0.000   0
 OAD      CONST_9  N3     C2     N1     C6         0.000    0.000   0
 OAD      CONST_10 C2     N1     C6     N6         0.000    0.000   0
 OAD      CONST_11 N1     C6     N6     H61        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
 OAD      chir_01  "C4'"  "C5'"  "O4'"  "C3'"     positiv
 OAD      chir_02  "C3'"  "C4'"  "O3'"  "C2'"     positiv
 OAD      chir_03  "C2'"  "C3'"  "O2'"  "C1'"     positiv
 OAD      chir_04  "C1'"  "O4'"  "C2'"  N9        positiv
 OAD      chir_05  C4D    C5D    O4D    C3D       positiv
 OAD      chir_06  C3D    C4D    O3D    C2D       positiv
 OAD      chir_07  C2D    O2D    C3D    C1D       positiv
 OAD      chir_08  C1D    O4D    C2D    O1D       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
 OAD      plan-1    N9        0.020
 OAD      plan-1    "C1'"     0.020
 OAD      plan-1    C8        0.020
 OAD      plan-1    C4        0.020
 OAD      plan-1    N7        0.020
 OAD      plan-1    H8        0.020
 OAD      plan-1    C5        0.020
 OAD      plan-1    C6        0.020
 OAD      plan-1    N1        0.020
 OAD      plan-1    C2        0.020
 OAD      plan-1    N3        0.020
 OAD      plan-1    N6        0.020
 OAD      plan-1    H2        0.020
 OAD      plan-1    H62       0.020
 OAD      plan-1    H61       0.020
 OAD      plan-2    N6        0.020
 OAD      plan-2    C6        0.020
 OAD      plan-2    H61       0.020
 OAD      plan-2    H62       0.020
 OAD      plan-3    C6D       0.020
 OAD      plan-3    O2D       0.020
 OAD      plan-3    O6D       0.020
 OAD      plan-3    C7D       0.020
# ------------------------------------------------------