File: DM2.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
DM2      DM2 'DOXORUBICIN                         ' non-polymer        68  39 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_DM2
#
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
 DM2           O19    O    O         0.000      0.000    0.000    0.000
 DM2           C19    C    CR6       0.000     -0.836    0.376   -0.798
 DM2           C20    C    CR66      0.000     -0.433    1.123   -2.009
 DM2           C5     C    CR66      0.000     -1.357    1.304   -3.055
 DM2           C4     C    CR6       0.000     -0.976    2.005   -4.201
 DM2           O4     O    O2        0.000     -1.856    2.181   -5.217
 DM2           C21    C    CH3       0.000     -1.178    2.932   -6.226
 DM2           H213   H    H         0.000     -0.874    3.865   -5.827
 DM2           H212   H    H         0.000     -0.326    2.395   -6.555
 DM2           H211   H    H         0.000     -1.830    3.095   -7.045
 DM2           C3     C    CR16      0.000      0.311    2.528   -4.291
 DM2           H3     H    H         0.000      0.609    3.076   -5.176
 DM2           C2     C    CR16      0.000      1.209    2.352   -3.259
 DM2           H2     H    H         0.000      2.208    2.764   -3.340
 DM2           C1     C    CR16      0.000      0.846    1.654   -2.120
 DM2           H1     H    H         0.000      1.559    1.522   -1.316
 DM2           C18    C    CR66      0.000     -2.266    0.093   -0.571
 DM2           C7     C    CR66      0.000     -3.188    0.270   -1.622
 DM2           C6     C    CR6       0.000     -2.714    0.735   -2.939
 DM2           O6     O    O         0.000     -3.436    0.656   -3.916
 DM2           C17    C    CR6       0.000     -2.719   -0.348    0.670
 DM2           O17    O    OH1       0.000     -1.837   -0.523    1.685
 DM2           HO17   H    H         0.000     -1.756    0.299    2.186
 DM2           C16    C    CR6       0.000     -4.080   -0.612    0.876
 DM2           C9     C    CR6       0.000     -4.977   -0.435   -0.146
 DM2           C8     C    CR6       0.000     -4.537    0.004   -1.401
 DM2           O8     O    OH1       0.000     -5.429    0.170   -2.408
 DM2           HO8    H    H         0.000     -5.805    1.060   -2.360
 DM2           C15    C    CH2       0.000     -4.490   -1.091    2.244
 DM2           H151   H    H         0.000     -3.952   -0.511    2.997
 DM2           H152   H    H         0.000     -4.227   -2.146    2.342
 DM2           C12    C    CT        0.000     -5.994   -0.919    2.445
 DM2           O12    O    OH1       0.000     -6.396   -1.570    3.653
 DM2           HO12   H    H         0.000     -5.926   -1.178    4.401
 DM2           C13    C    C         0.000     -6.331    0.547    2.521
 DM2           C14    C    CH2       0.000     -7.580    0.997    3.237
 DM2           H141   H    H         0.000     -7.534    0.681    4.281
 DM2           H142   H    H         0.000     -8.454    0.548    2.760
 DM2           O14    O    OH1       0.000     -7.679    2.421    3.172
 DM2           HO14   H    H         0.000     -8.479    2.709    3.631
 DM2           O13    O    O         0.000     -5.602    1.362    2.009
 DM2           C11    C    CH2       0.000     -6.715   -1.555    1.251
 DM2           H111   H    H         0.000     -7.789   -1.600    1.444
 DM2           H112   H    H         0.000     -6.335   -2.564    1.080
 DM2           C10    C    CH1       0.000     -6.453   -0.694    0.018
 DM2           H10    H    H         0.000     -6.979    0.264    0.127
 DM2           O10    O    O2        0.000     -6.942   -1.371   -1.142
 DM2           "C1'"  C    CH1       0.000     -8.071   -0.631   -1.606
 DM2           "H1'"  H    H         0.000     -7.817    0.438   -1.644
 DM2           "O5'"  O    O2        0.000     -9.166   -0.826   -0.713
 DM2           "C5'"  C    CH1       0.000     -9.348   -2.229   -0.551
 DM2           "H5'"  H    H         0.000     -8.393   -2.691   -0.264
 DM2           "C6'"  C    CH3       0.000    -10.385   -2.484    0.545
 DM2           "H6'3" H    H         0.000    -11.307   -2.042    0.270
 DM2           "H6'2" H    H         0.000    -10.518   -3.527    0.671
 DM2           "H6'1" H    H         0.000    -10.049   -2.060    1.456
 DM2           "C4'"  C    CH1       0.000     -9.836   -2.843   -1.865
 DM2           "H4'"  H    H         0.000     -9.993   -3.922   -1.731
 DM2           "O4'"  O    OH1       0.000    -11.064   -2.225   -2.257
 DM2           "HO4'" H    H         0.000    -11.731   -2.372   -1.573
 DM2           "C3'"  C    CH1       0.000     -8.777   -2.610   -2.949
 DM2           "H3'"  H    H         0.000     -7.866   -3.173   -2.701
 DM2           "N3'"  N    NH2       0.000     -9.293   -3.054   -4.251
 DM2           "HN'2" H    H         0.000    -10.221   -3.455   -4.324
 DM2           "HN'1" H    H         0.000     -8.724   -2.963   -5.085
 DM2           "C2'"  C    CH2       0.000     -8.455   -1.114   -3.007
 DM2           "H2'2" H    H         0.000     -9.331   -0.563   -3.356
 DM2           "H2'1" H    H         0.000     -7.622   -0.943   -3.693
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
 DM2      O19    n/a    C19    START
 DM2      C19    O19    C18    .
 DM2      C20    C19    C1     .
 DM2      C5     C20    C4     .
 DM2      C4     C5     C3     .
 DM2      O4     C4     C21    .
 DM2      C21    O4     H211   .
 DM2      H213   C21    .      .
 DM2      H212   C21    .      .
 DM2      H211   C21    .      .
 DM2      C3     C4     C2     .
 DM2      H3     C3     .      .
 DM2      C2     C3     H2     .
 DM2      H2     C2     .      .
 DM2      C1     C20    H1     .
 DM2      H1     C1     .      .
 DM2      C18    C19    C17    .
 DM2      C7     C18    C6     .
 DM2      C6     C7     O6     .
 DM2      O6     C6     .      .
 DM2      C17    C18    C16    .
 DM2      O17    C17    HO17   .
 DM2      HO17   O17    .      .
 DM2      C16    C17    C15    .
 DM2      C9     C16    C8     .
 DM2      C8     C9     O8     .
 DM2      O8     C8     HO8    .
 DM2      HO8    O8     .      .
 DM2      C15    C16    C12    .
 DM2      H151   C15    .      .
 DM2      H152   C15    .      .
 DM2      C12    C15    C11    .
 DM2      O12    C12    HO12   .
 DM2      HO12   O12    .      .
 DM2      C13    C12    O13    .
 DM2      C14    C13    O14    .
 DM2      H141   C14    .      .
 DM2      H142   C14    .      .
 DM2      O14    C14    HO14   .
 DM2      HO14   O14    .      .
 DM2      O13    C13    .      .
 DM2      C11    C12    C10    .
 DM2      H111   C11    .      .
 DM2      H112   C11    .      .
 DM2      C10    C11    O10    .
 DM2      H10    C10    .      .
 DM2      O10    C10    "C1'"  .
 DM2      "C1'"  O10    "O5'"  .
 DM2      "H1'"  "C1'"  .      .
 DM2      "O5'"  "C1'"  "C5'"  .
 DM2      "C5'"  "O5'"  "C4'"  .
 DM2      "H5'"  "C5'"  .      .
 DM2      "C6'"  "C5'"  "H6'1" .
 DM2      "H6'3" "C6'"  .      .
 DM2      "H6'2" "C6'"  .      .
 DM2      "H6'1" "C6'"  .      .
 DM2      "C4'"  "C5'"  "C3'"  .
 DM2      "H4'"  "C4'"  .      .
 DM2      "O4'"  "C4'"  "HO4'" .
 DM2      "HO4'" "O4'"  .      .
 DM2      "C3'"  "C4'"  "C2'"  .
 DM2      "H3'"  "C3'"  .      .
 DM2      "N3'"  "C3'"  "HN'1" .
 DM2      "HN'2" "N3'"  .      .
 DM2      "HN'1" "N3'"  .      .
 DM2      "C2'"  "C3'"  "H2'1" .
 DM2      "H2'2" "C2'"  .      .
 DM2      "H2'1" "C2'"  .      END
 DM2      C1     C2     .    ADD
 DM2      C5     C6     .    ADD
 DM2      C7     C8     .    ADD
 DM2      C9     C10    .    ADD
 DM2      "C1'"  "C2'"  .    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
 DM2      C1     C2        double      1.390    0.020
 DM2      C1     C20       single      1.390    0.020
 DM2      H1     C1        single      1.083    0.020
 DM2      C2     C3        single      1.390    0.020
 DM2      H2     C2        single      1.083    0.020
 DM2      C3     C4        double      1.390    0.020
 DM2      H3     C3        single      1.083    0.020
 DM2      O4     C4        single      1.370    0.020
 DM2      C4     C5        single      1.490    0.020
 DM2      C21    O4        single      1.426    0.020
 DM2      C5     C6        single      1.490    0.020
 DM2      C5     C20       double      1.490    0.020
 DM2      O6     C6        double      1.250    0.020
 DM2      C6     C7        single      1.490    0.020
 DM2      C7     C8        double      1.490    0.020
 DM2      C7     C18       single      1.490    0.020
 DM2      O8     C8        single      1.362    0.020
 DM2      C8     C9        single      1.487    0.020
 DM2      HO8    O8        single      0.967    0.020
 DM2      C9     C10       single      1.480    0.020
 DM2      C9     C16       double      1.487    0.020
 DM2      O10    C10       single      1.426    0.020
 DM2      C10    C11       single      1.524    0.020
 DM2      H10    C10       single      1.099    0.020
 DM2      "C1'"  O10       single      1.426    0.020
 DM2      C11    C12       single      1.524    0.020
 DM2      H111   C11       single      1.092    0.020
 DM2      H112   C11       single      1.092    0.020
 DM2      O12    C12       single      1.432    0.020
 DM2      C13    C12       single      1.507    0.020
 DM2      C12    C15       single      1.524    0.020
 DM2      HO12   O12       single      0.967    0.020
 DM2      O13    C13       double      1.220    0.020
 DM2      C14    C13       single      1.510    0.020
 DM2      O14    C14       single      1.432    0.020
 DM2      H141   C14       single      1.092    0.020
 DM2      H142   C14       single      1.092    0.020
 DM2      HO14   O14       single      0.967    0.020
 DM2      C15    C16       single      1.511    0.020
 DM2      H151   C15       single      1.092    0.020
 DM2      H152   C15       single      1.092    0.020
 DM2      C16    C17       single      1.487    0.020
 DM2      O17    C17       single      1.362    0.020
 DM2      C17    C18       double      1.490    0.020
 DM2      HO17   O17       single      0.967    0.020
 DM2      C18    C19       single      1.490    0.020
 DM2      C19    O19       double      1.250    0.020
 DM2      C20    C19       single      1.490    0.020
 DM2      H211   C21       single      1.059    0.020
 DM2      H212   C21       single      1.059    0.020
 DM2      H213   C21       single      1.059    0.020
 DM2      "C1'"  "C2'"     single      1.524    0.020
 DM2      "O5'"  "C1'"     single      1.426    0.020
 DM2      "H1'"  "C1'"     single      1.099    0.020
 DM2      "C2'"  "C3'"     single      1.524    0.020
 DM2      "H2'1" "C2'"     single      1.092    0.020
 DM2      "H2'2" "C2'"     single      1.092    0.020
 DM2      "N3'"  "C3'"     single      1.450    0.020
 DM2      "C3'"  "C4'"     single      1.524    0.020
 DM2      "H3'"  "C3'"     single      1.099    0.020
 DM2      "HN'1" "N3'"     single      1.010    0.020
 DM2      "HN'2" "N3'"     single      1.010    0.020
 DM2      "O4'"  "C4'"     single      1.432    0.020
 DM2      "C4'"  "C5'"     single      1.524    0.020
 DM2      "H4'"  "C4'"     single      1.099    0.020
 DM2      "HO4'" "O4'"     single      0.967    0.020
 DM2      "C5'"  "O5'"     single      1.426    0.020
 DM2      "C6'"  "C5'"     single      1.524    0.020
 DM2      "H5'"  "C5'"     single      1.099    0.020
 DM2      "H6'1" "C6'"     single      1.059    0.020
 DM2      "H6'2" "C6'"     single      1.059    0.020
 DM2      "H6'3" "C6'"     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
 DM2      O19    C19    C20     120.000    3.000
 DM2      O19    C19    C18     120.000    3.000
 DM2      C20    C19    C18     120.000    3.000
 DM2      C19    C20    C5      120.000    3.000
 DM2      C19    C20    C1      120.000    3.000
 DM2      C5     C20    C1      120.000    3.000
 DM2      C20    C5     C4      120.000    3.000
 DM2      C20    C5     C6      120.000    3.000
 DM2      C4     C5     C6      120.000    3.000
 DM2      C5     C4     O4      120.000    3.000
 DM2      C5     C4     C3      120.000    3.000
 DM2      O4     C4     C3      120.000    3.000
 DM2      C4     O4     C21     120.000    3.000
 DM2      O4     C21    H213    109.470    3.000
 DM2      O4     C21    H212    109.470    3.000
 DM2      O4     C21    H211    109.470    3.000
 DM2      H213   C21    H212    109.470    3.000
 DM2      H213   C21    H211    109.470    3.000
 DM2      H212   C21    H211    109.470    3.000
 DM2      C4     C3     H3      120.000    3.000
 DM2      C4     C3     C2      120.000    3.000
 DM2      H3     C3     C2      120.000    3.000
 DM2      C3     C2     H2      120.000    3.000
 DM2      C3     C2     C1      120.000    3.000
 DM2      H2     C2     C1      120.000    3.000
 DM2      C20    C1     H1      120.000    3.000
 DM2      C20    C1     C2      120.000    3.000
 DM2      H1     C1     C2      120.000    3.000
 DM2      C19    C18    C7      120.000    3.000
 DM2      C19    C18    C17     120.000    3.000
 DM2      C7     C18    C17     120.000    3.000
 DM2      C18    C7     C6      120.000    3.000
 DM2      C18    C7     C8      120.000    3.000
 DM2      C6     C7     C8      120.000    3.000
 DM2      C7     C6     O6      120.000    3.000
 DM2      C7     C6     C5      120.000    3.000
 DM2      O6     C6     C5      120.000    3.000
 DM2      C18    C17    O17     120.000    3.000
 DM2      C18    C17    C16     120.000    3.000
 DM2      O17    C17    C16     120.000    3.000
 DM2      C17    O17    HO17    109.470    3.000
 DM2      C17    C16    C9      120.000    3.000
 DM2      C17    C16    C15     120.000    3.000
 DM2      C9     C16    C15     120.000    3.000
 DM2      C16    C9     C8      120.000    3.000
 DM2      C16    C9     C10     120.000    3.000
 DM2      C8     C9     C10     120.000    3.000
 DM2      C9     C8     O8      120.000    3.000
 DM2      C9     C8     C7      120.000    3.000
 DM2      O8     C8     C7      120.000    3.000
 DM2      C8     O8     HO8     109.470    3.000
 DM2      C16    C15    H151    109.470    3.000
 DM2      C16    C15    H152    109.470    3.000
 DM2      C16    C15    C12     109.470    3.000
 DM2      H151   C15    H152    107.900    3.000
 DM2      H151   C15    C12     109.470    3.000
 DM2      H152   C15    C12     109.470    3.000
 DM2      C15    C12    O12     109.470    3.000
 DM2      C15    C12    C13     109.470    3.000
 DM2      C15    C12    C11     111.000    3.000
 DM2      O12    C12    C13     109.470    3.000
 DM2      O12    C12    C11     109.470    3.000
 DM2      C13    C12    C11     109.470    3.000
 DM2      C12    O12    HO12    109.470    3.000
 DM2      C12    C13    C14     120.000    3.000
 DM2      C12    C13    O13     120.500    3.000
 DM2      C14    C13    O13     120.500    3.000
 DM2      C13    C14    H141    109.470    3.000
 DM2      C13    C14    H142    109.470    3.000
 DM2      C13    C14    O14     109.500    3.000
 DM2      H141   C14    H142    107.900    3.000
 DM2      H141   C14    O14     109.470    3.000
 DM2      H142   C14    O14     109.470    3.000
 DM2      C14    O14    HO14    109.470    3.000
 DM2      C12    C11    H111    109.470    3.000
 DM2      C12    C11    H112    109.470    3.000
 DM2      C12    C11    C10     111.000    3.000
 DM2      H111   C11    H112    107.900    3.000
 DM2      H111   C11    C10     109.470    3.000
 DM2      H112   C11    C10     109.470    3.000
 DM2      C11    C10    H10     108.340    3.000
 DM2      C11    C10    O10     109.470    3.000
 DM2      C11    C10    C9      109.470    3.000
 DM2      H10    C10    O10     109.470    3.000
 DM2      H10    C10    C9      109.470    3.000
 DM2      O10    C10    C9      109.470    3.000
 DM2      C10    O10    "C1'"   111.800    3.000
 DM2      O10    "C1'"  "H1'"   109.470    3.000
 DM2      O10    "C1'"  "O5'"   109.470    3.000
 DM2      O10    "C1'"  "C2'"   109.470    3.000
 DM2      "H1'"  "C1'"  "O5'"   109.470    3.000
 DM2      "H1'"  "C1'"  "C2'"   108.340    3.000
 DM2      "O5'"  "C1'"  "C2'"   109.470    3.000
 DM2      "C1'"  "O5'"  "C5'"   111.800    3.000
 DM2      "O5'"  "C5'"  "H5'"   109.470    3.000
 DM2      "O5'"  "C5'"  "C6'"   109.470    3.000
 DM2      "O5'"  "C5'"  "C4'"   109.470    3.000
 DM2      "H5'"  "C5'"  "C6'"   108.340    3.000
 DM2      "H5'"  "C5'"  "C4'"   108.340    3.000
 DM2      "C6'"  "C5'"  "C4'"   111.000    3.000
 DM2      "C5'"  "C6'"  "H6'3"  109.470    3.000
 DM2      "C5'"  "C6'"  "H6'2"  109.470    3.000
 DM2      "C5'"  "C6'"  "H6'1"  109.470    3.000
 DM2      "H6'3" "C6'"  "H6'2"  109.470    3.000
 DM2      "H6'3" "C6'"  "H6'1"  109.470    3.000
 DM2      "H6'2" "C6'"  "H6'1"  109.470    3.000
 DM2      "C5'"  "C4'"  "H4'"   108.340    3.000
 DM2      "C5'"  "C4'"  "O4'"   109.470    3.000
 DM2      "C5'"  "C4'"  "C3'"   111.000    3.000
 DM2      "H4'"  "C4'"  "O4'"   109.470    3.000
 DM2      "H4'"  "C4'"  "C3'"   108.340    3.000
 DM2      "O4'"  "C4'"  "C3'"   109.470    3.000
 DM2      "C4'"  "O4'"  "HO4'"  109.470    3.000
 DM2      "C4'"  "C3'"  "H3'"   108.340    3.000
 DM2      "C4'"  "C3'"  "N3'"   109.470    3.000
 DM2      "C4'"  "C3'"  "C2'"   111.000    3.000
 DM2      "H3'"  "C3'"  "N3'"   109.470    3.000
 DM2      "H3'"  "C3'"  "C2'"   108.340    3.000
 DM2      "N3'"  "C3'"  "C2'"   109.470    3.000
 DM2      "C3'"  "N3'"  "HN'2"  120.000    3.000
 DM2      "C3'"  "N3'"  "HN'1"  120.000    3.000
 DM2      "HN'2" "N3'"  "HN'1"  120.000    3.000
 DM2      "C3'"  "C2'"  "H2'2"  109.470    3.000
 DM2      "C3'"  "C2'"  "H2'1"  109.470    3.000
 DM2      "C3'"  "C2'"  "C1'"   111.000    3.000
 DM2      "H2'2" "C2'"  "H2'1"  107.900    3.000
 DM2      "H2'2" "C2'"  "C1'"   109.470    3.000
 DM2      "H2'1" "C2'"  "C1'"   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
 DM2      CONST_1  O19    C19    C20    C1         0.000    0.000   0
 DM2      CONST_2  C19    C20    C5     C4       180.000    0.000   0
 DM2      CONST_3  C20    C5     C6     C7         0.000    0.000   0
 DM2      CONST_4  C20    C5     C4     C3         0.000    0.000   0
 DM2      var_1    C5     C4     O4     C21      179.711   20.000   1
 DM2      var_2    C4     O4     C21    H211     179.999   20.000   1
 DM2      CONST_5  C5     C4     C3     C2         0.000    0.000   0
 DM2      CONST_6  C4     C3     C2     C1         0.000    0.000   0
 DM2      CONST_7  C19    C20    C1     C2       180.000    0.000   0
 DM2      CONST_8  C20    C1     C2     C3         0.000    0.000   0
 DM2      CONST_9  O19    C19    C18    C17        0.000    0.000   0
 DM2      CONST_10 C19    C18    C7     C6         0.000    0.000   0
 DM2      CONST_11 C18    C7     C8     C9         0.000    0.000   0
 DM2      CONST_12 C18    C7     C6     O6       180.000    0.000   0
 DM2      CONST_13 C19    C18    C17    C16      180.000    0.000   0
 DM2      var_3    C18    C17    O17    HO17      90.084   20.000   1
 DM2      CONST_14 C18    C17    C16    C15      180.000    0.000   0
 DM2      CONST_15 C17    C16    C9     C8         0.000    0.000   0
 DM2      var_4    C16    C9     C10    C11      -30.000   20.000   1
 DM2      CONST_16 C16    C9     C8     O8       180.000    0.000   0
 DM2      var_5    C9     C8     O8     HO8       86.958   20.000   1
 DM2      var_6    C17    C16    C15    C12      150.000   20.000   2
 DM2      var_7    C16    C15    C12    C11       60.000   20.000   1
 DM2      var_8    C15    C12    O12    HO12      59.999   20.000   1
 DM2      var_9    C15    C12    C13    O13       24.309   20.000   1
 DM2      var_10   C12    C13    C14    O14     -179.984   20.000   3
 DM2      var_11   C13    C14    O14    HO14    -179.995   20.000   1
 DM2      var_12   C15    C12    C11    C10      -60.000   20.000   1
 DM2      var_13   C12    C11    C10    O10      180.000   20.000   3
 DM2      var_14   C11    C10    O10    "C1'"    110.978   20.000   1
 DM2      var_15   C10    O10    "C1'"  "O5'"    -72.134   20.000   1
 DM2      var_16   O10    "C1'"  "C2'"  "C3'"     60.000   20.000   3
 DM2      var_17   O10    "C1'"  "O5'"  "C5'"    -60.000   20.000   1
 DM2      var_18   "C1'"  "O5'"  "C5'"  "C4'"    -60.000   20.000   1
 DM2      var_19   "O5'"  "C5'"  "C6'"  "H6'1"   -59.701   20.000   3
 DM2      var_20   "O5'"  "C5'"  "C4'"  "C3'"     60.000   20.000   3
 DM2      var_21   "C5'"  "C4'"  "O4'"  "HO4'"   -60.378   20.000   1
 DM2      var_22   "C5'"  "C4'"  "C3'"  "C2'"    -60.000   20.000   3
 DM2      var_23   "C4'"  "C3'"  "N3'"  "HN'1"   179.300   20.000   1
 DM2      var_24   "C4'"  "C3'"  "C2'"  "C1'"     60.000   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
 DM2      chir_01  C10    C9     O10    C11       negativ
 DM2      chir_02  C12    C11    O12    C13       positiv
 DM2      chir_03  "C1'"  O10    "C2'"  "O5'"     negativ
 DM2      chir_04  "C3'"  "C2'"  "N3'"  "C4'"     positiv
 DM2      chir_05  "C4'"  "C3'"  "O4'"  "C5'"     positiv
 DM2      chir_06  "C5'"  "C4'"  "O5'"  "C6'"     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
 DM2      plan-1    C1        0.020
 DM2      plan-1    C2        0.020
 DM2      plan-1    C20       0.020
 DM2      plan-1    H1        0.020
 DM2      plan-1    C3        0.020
 DM2      plan-1    C4        0.020
 DM2      plan-1    H2        0.020
 DM2      plan-1    H3        0.020
 DM2      plan-1    O4        0.020
 DM2      plan-1    C5        0.020
 DM2      plan-1    C6        0.020
 DM2      plan-1    C19       0.020
 DM2      plan-1    O6        0.020
 DM2      plan-1    C7        0.020
 DM2      plan-1    C8        0.020
 DM2      plan-1    C18       0.020
 DM2      plan-1    C9        0.020
 DM2      plan-1    C16       0.020
 DM2      plan-1    C17       0.020
 DM2      plan-1    O8        0.020
 DM2      plan-1    C10       0.020
 DM2      plan-1    C15       0.020
 DM2      plan-1    O17       0.020
 DM2      plan-1    O19       0.020
 DM2      plan-2    C13       0.020
 DM2      plan-2    C12       0.020
 DM2      plan-2    O13       0.020
 DM2      plan-2    C14       0.020
 DM2      plan-3    "N3'"     0.020
 DM2      plan-3    "C3'"     0.020
 DM2      plan-3    "HN'1"    0.020
 DM2      plan-3    "HN'2"    0.020
# ------------------------------------------------------