File: DVV.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
DVV      DVV 'DESVANCOSAMINYL VANCOMYCIN          ' non-polymer       152  91 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_DVV
#
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
 DVV           O30    O    O         0.000      0.000    0.000    0.000
 DVV           C29    C    C         0.000      0.582    0.675    0.844
 DVV           N31    N    NH2       0.000      1.154    0.151    1.983
 DVV           H312   H    H         0.000      1.114   -0.849    2.175
 DVV           H311   H    H         0.000      1.627    0.754    2.655
 DVV           C28    C    CH2       0.000      0.758    2.175    0.759
 DVV           H281   H    H         0.000      1.708    2.377    0.260
 DVV           H282   H    H         0.000      0.792    2.570    1.776
 DVV           C25    C    CH1       0.000     -0.375    2.846   -0.011
 DVV           H25    H    H         0.000     -0.372    2.442   -1.033
 DVV           C26    C    C         0.000     -1.793    2.688    0.552
 DVV           O27    O    O         0.000     -2.752    3.211   -0.021
 DVV           N32    N    NH1       0.000     -1.894    2.000    1.749
 DVV           H32    H    H         0.000     -1.076    1.517    2.091
 DVV           N24    N    NH1       0.000     -0.164    4.290   -0.101
 DVV           H24    H    H         0.000     -0.764    4.894    0.442
 DVV           C12    C    C         0.000      0.816    4.875   -0.891
 DVV           O13    O    O         0.000      1.624    4.253   -1.580
 DVV           C11    C    CH1       0.000      0.815    6.401   -0.790
 DVV           H11    H    H         0.000     -0.226    6.740   -0.697
 DVV           N10    N    NH1       0.000      1.345    6.899   -2.037
 DVV           H10    H    H         0.000      2.069    6.366   -2.497
 DVV           C4     C    C         0.000      0.910    8.074   -2.637
 DVV           C3     C    CH1       0.000      1.600    8.326   -3.973
 DVV           H3     H    H         0.000      2.605    7.882   -3.947
 DVV           C6     C    CH2       0.000      0.799    7.684   -5.113
 DVV           H61A   H    H         0.000     -0.187    8.152   -5.105
 DVV           H62A   H    H         0.000      0.700    6.624   -4.868
 DVV           C7     C    CH1       0.000      1.431    7.834   -6.512
 DVV           H7     H    H         0.000      0.812    7.278   -7.231
 DVV           C9     C    CH3       0.000      1.502    9.293   -6.965
 DVV           H93    H    H         0.000      2.009    9.351   -7.894
 DVV           H92    H    H         0.000      0.522    9.679   -7.075
 DVV           H91    H    H         0.000      2.026    9.864   -6.242
 DVV           C8     C    CH3       0.000      2.835    7.224   -6.512
 DVV           H83    H    H         0.000      3.450    7.748   -5.827
 DVV           H82    H    H         0.000      2.780    6.205   -6.227
 DVV           H81    H    H         0.000      3.252    7.294   -7.484
 DVV           N2     N    NH1       0.000      1.720    9.753   -4.126
 DVV           HN2    H    H         0.000      1.306   10.279   -4.882
 DVV           C1     C    CH3       0.000      2.516   10.343   -3.051
 DVV           H13    H    H         0.000      2.204    9.949   -2.118
 DVV           H12    H    H         0.000      3.541   10.117   -3.201
 DVV           H11A   H    H         0.000      2.387   11.395   -3.048
 DVV           O5     O    O         0.000      0.039    8.813   -2.183
 DVV           C14    C    CH1       0.000      1.611    6.950    0.414
 DVV           H14    H    H         0.000      1.716    8.035    0.274
 DVV           O15    O    OH1       0.000      2.925    6.391    0.437
 DVV           H15    H    H         0.000      3.576    7.095    0.317
 DVV           C16    C    CR6       0.000      0.900    6.725    1.735
 DVV           C17    C    CR16      0.000     -0.253    7.477    2.025
 DVV           H17    H    H         0.000     -0.561    8.264    1.348
 DVV           C19    C    CR6       0.000     -1.005    7.223    3.171
 DVV           CL2    CL   CL        0.000     -2.443    8.133    3.447
 DVV           C21    C    CR6       0.000     -0.607    6.205    4.036
 DVV           C20    C    CR16      0.000      0.578    5.503    3.813
 DVV           H20    H    H         0.000      0.919    4.767    4.530
 DVV           C18    C    CR16      0.000      1.321    5.756    2.659
 DVV           H18    H    H         0.000      2.232    5.200    2.475
 DVV           O22    O    O2        0.000     -1.421    5.893    5.100
 DVV           C40    C    CR6       0.000     -2.130    4.705    5.019
 DVV           C41    C    CR6       0.000     -2.747    4.279    6.198
 DVV           O42    O    O2        0.000     -2.603    5.002    7.345
 DVV           "C1'"  C    CH1       0.000     -1.492    4.679    8.178
 DVV           "H1'"  H    H         0.000     -0.557    4.837    7.622
 DVV           "C2'"  C    CH1       0.000     -1.530    5.610    9.391
 DVV           "H2'"  H    H         0.000     -2.518    5.534    9.866
 DVV           "O2'"  O    OH1       0.000     -1.324    6.957    8.967
 DVV           H4     H    H         0.000     -0.694    7.387    9.560
 DVV           "C3'"  C    CH1       0.000     -0.459    5.234   10.414
 DVV           "H3'"  H    H         0.000      0.528    5.506   10.014
 DVV           "O3'"  O    OH1       0.000     -0.685    5.959   11.624
 DVV           H2     H    H         0.000     -1.101    6.807   11.418
 DVV           "C4'"  C    CH1       0.000     -0.480    3.734   10.711
 DVV           "H4'"  H    H         0.000     -1.385    3.493   11.286
 DVV           "O4'"  O    OH1       0.000      0.669    3.391   11.483
 DVV           H1     H    H         0.000      1.414    3.222   10.891
 DVV           "C5'"  C    CH1       0.000     -0.478    2.923    9.413
 DVV           "H5'"  H    H         0.000      0.461    3.108    8.873
 DVV           "C6'"  C    CH2       0.000     -0.617    1.428    9.681
 DVV           "H6'1" H    H         0.000     -1.553    1.230   10.207
 DVV           "H6'2" H    H         0.000      0.222    1.080   10.288
 DVV           "O6'"  O    OH1       0.000     -0.618    0.746    8.439
 DVV           "H6'"  H    H         0.000     -0.563    1.390    7.722
 DVV           "O5'"  O    O2        0.000     -1.578    3.317    8.591
 DVV           C39    C    CR6       0.000     -3.496    3.102    6.194
 DVV           O66    O    O2        0.000     -4.155    2.772    7.371
 DVV           C65    C    CR6       0.000     -5.338    2.088    7.191
 DVV           C64    C    CR6       0.000     -5.401    0.752    7.575
 DVV           CL6    CL   CL        0.000     -4.147    0.013    8.497
 DVV           C62    C    CR16      0.000     -6.471   -0.028    7.138
 DVV           H62    H    H         0.000     -6.533   -1.067    7.437
 DVV           C60    C    CR6       0.000     -7.469    0.519    6.313
 DVV           C61    C    CR16      0.000     -7.459    1.902    6.073
 DVV           H61    H    H         0.000     -8.281    2.359    5.536
 DVV           C63    C    CR16      0.000     -6.403    2.691    6.518
 DVV           H63    H    H         0.000     -6.407    3.760    6.344
 DVV           C58    C    CH1       0.000     -8.482   -0.394    5.641
 DVV           H58    H    H         0.000     -9.117   -0.833    6.423
 DVV           O59    O    OH1       0.000     -9.321    0.358    4.760
 DVV           H59    H    H         0.000    -10.197   -0.050    4.723
 DVV           C55    C    CH1       0.000     -7.814   -1.553    4.860
 DVV           H55    H    H         0.000     -7.353   -2.229    5.593
 DVV           C56    C    C         0.000     -8.850   -2.363    4.062
 DVV           O57    O    O         0.000     -9.497   -3.268    4.588
 DVV           N68    N    NH1       0.000     -9.056   -1.891    2.775
 DVV           H68    H    H         0.000     -8.526   -1.080    2.488
 DVV           C37    C    CR16      0.000     -3.570    2.314    5.030
 DVV           H37    H    H         0.000     -4.101    1.370    5.060
 DVV           C36    C    CR6       0.000     -2.971    2.727    3.838
 DVV           C38    C    CR16      0.000     -2.288    3.954    3.843
 DVV           H38    H    H         0.000     -1.873    4.331    2.916
 DVV           C33    C    CH1       0.000     -3.121    1.931    2.549
 DVV           H33    H    H         0.000     -3.963    2.329    1.966
 DVV           C34    C    C         0.000     -3.311    0.432    2.762
 DVV           O35    O    O         0.000     -2.416   -0.279    3.218
 DVV           N43    N    NH1       0.000     -4.564   -0.029    2.364
 DVV           H43    H    H         0.000     -5.264    0.641    2.080
 DVV           C44    C    CH1       0.000     -4.894   -1.448    2.346
 DVV           H44    H    H         0.000     -3.943   -1.997    2.356
 DVV           C45    C    C         0.000     -5.689   -1.910    3.579
 DVV           O46    O    O         0.000     -5.486   -3.027    4.060
 DVV           N54    N    NH1       0.000     -6.756   -1.096    3.943
 DVV           H54    H    H         0.000     -6.807   -0.160    3.567
 DVV           C47    C    CR6       0.000     -5.634   -1.870    1.086
 DVV           C48    C    CR16      0.000     -6.848   -1.266    0.733
 DVV           H48    H    H         0.000     -7.133   -0.334    1.207
 DVV           C50    C    CR6       0.000     -7.704   -1.838   -0.220
 DVV           C52    C    CR6       0.000     -7.236   -2.932   -0.961
 DVV           O53    O    OH1       0.000     -7.981   -3.467   -1.970
 DVV           H53    H    H         0.000     -8.327   -2.757   -2.528
 DVV           C51    C    CR16      0.000     -5.981   -3.482   -0.693
 DVV           H51    H    H         0.000     -5.615   -4.306   -1.293
 DVV           C49    C    CR16      0.000     -5.197   -2.973    0.344
 DVV           H49    H    H         0.000     -4.245   -3.435    0.575
 DVV           C73    C    CR6       0.000     -9.077   -1.332   -0.381
 DVV           C72    C    CR6       0.000    -10.122   -1.604    0.551
 DVV           C69    C    CH1       0.000     -9.974   -2.466    1.803
 DVV           H69    H    H         0.000    -10.962   -2.545    2.277
 DVV           C70    C    C         0.000     -9.512   -3.852    1.467
 DVV           O80    O    OC       -0.500     -8.450   -4.375    1.873
 DVV           O71    O    OC       -0.500    -10.334   -4.422    0.716
 DVV           C74    C    CR16      0.000    -11.397   -1.050    0.314
 DVV           H74    H    H         0.000    -12.197   -1.242    1.018
 DVV           C77    C    CR6       0.000    -11.649   -0.260   -0.807
 DVV           O78    O    OH1       0.000    -12.889    0.264   -1.006
 DVV           H78    H    H         0.000    -13.508   -0.125   -0.373
 DVV           C76    C    CR16      0.000    -10.632   -0.005   -1.719
 DVV           H76    H    H         0.000    -10.828    0.604   -2.592
 DVV           C75    C    CR6       0.000     -9.361   -0.535   -1.508
 DVV           O79    O    OH1       0.000     -8.400   -0.272   -2.446
 DVV           H79    H    H         0.000     -7.762    0.361   -2.088
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
 DVV      O30    n/a    C29    START
 DVV      C29    O30    C28    .
 DVV      N31    C29    H311   .
 DVV      H312   N31    .      .
 DVV      H311   N31    .      .
 DVV      C28    C29    C25    .
 DVV      H281   C28    .      .
 DVV      H282   C28    .      .
 DVV      C25    C28    N24    .
 DVV      H25    C25    .      .
 DVV      C26    C25    N32    .
 DVV      O27    C26    .      .
 DVV      N32    C26    H32    .
 DVV      H32    N32    .      .
 DVV      N24    C25    C12    .
 DVV      H24    N24    .      .
 DVV      C12    N24    C11    .
 DVV      O13    C12    .      .
 DVV      C11    C12    C14    .
 DVV      H11    C11    .      .
 DVV      N10    C11    C4     .
 DVV      H10    N10    .      .
 DVV      C4     N10    O5     .
 DVV      C3     C4     N2     .
 DVV      H3     C3     .      .
 DVV      C6     C3     C7     .
 DVV      H61A   C6     .      .
 DVV      H62A   C6     .      .
 DVV      C7     C6     C8     .
 DVV      H7     C7     .      .
 DVV      C9     C7     H91    .
 DVV      H93    C9     .      .
 DVV      H92    C9     .      .
 DVV      H91    C9     .      .
 DVV      C8     C7     H81    .
 DVV      H83    C8     .      .
 DVV      H82    C8     .      .
 DVV      H81    C8     .      .
 DVV      N2     C3     C1     .
 DVV      HN2    N2     .      .
 DVV      C1     N2     H11A   .
 DVV      H13    C1     .      .
 DVV      H12    C1     .      .
 DVV      H11A   C1     .      .
 DVV      O5     C4     .      .
 DVV      C14    C11    C16    .
 DVV      H14    C14    .      .
 DVV      O15    C14    H15    .
 DVV      H15    O15    .      .
 DVV      C16    C14    C17    .
 DVV      C17    C16    C19    .
 DVV      H17    C17    .      .
 DVV      C19    C17    C21    .
 DVV      CL2    C19    .      .
 DVV      C21    C19    O22    .
 DVV      C20    C21    C18    .
 DVV      H20    C20    .      .
 DVV      C18    C20    H18    .
 DVV      H18    C18    .      .
 DVV      O22    C21    C40    .
 DVV      C40    O22    C41    .
 DVV      C41    C40    C39    .
 DVV      O42    C41    "C1'"  .
 DVV      "C1'"  O42    "C2'"  .
 DVV      "H1'"  "C1'"  .      .
 DVV      "C2'"  "C1'"  "C3'"  .
 DVV      "H2'"  "C2'"  .      .
 DVV      "O2'"  "C2'"  H4     .
 DVV      H4     "O2'"  .      .
 DVV      "C3'"  "C2'"  "C4'"  .
 DVV      "H3'"  "C3'"  .      .
 DVV      "O3'"  "C3'"  H2     .
 DVV      H2     "O3'"  .      .
 DVV      "C4'"  "C3'"  "C5'"  .
 DVV      "H4'"  "C4'"  .      .
 DVV      "O4'"  "C4'"  H1     .
 DVV      H1     "O4'"  .      .
 DVV      "C5'"  "C4'"  "O5'"  .
 DVV      "H5'"  "C5'"  .      .
 DVV      "C6'"  "C5'"  "O6'"  .
 DVV      "H6'1" "C6'"  .      .
 DVV      "H6'2" "C6'"  .      .
 DVV      "O6'"  "C6'"  "H6'"  .
 DVV      "H6'"  "O6'"  .      .
 DVV      "O5'"  "C5'"  .      .
 DVV      C39    C41    C37    .
 DVV      O66    C39    C65    .
 DVV      C65    O66    C64    .
 DVV      C64    C65    C62    .
 DVV      CL6    C64    .      .
 DVV      C62    C64    C60    .
 DVV      H62    C62    .      .
 DVV      C60    C62    C58    .
 DVV      C61    C60    C63    .
 DVV      H61    C61    .      .
 DVV      C63    C61    H63    .
 DVV      H63    C63    .      .
 DVV      C58    C60    C55    .
 DVV      H58    C58    .      .
 DVV      O59    C58    H59    .
 DVV      H59    O59    .      .
 DVV      C55    C58    C56    .
 DVV      H55    C55    .      .
 DVV      C56    C55    N68    .
 DVV      O57    C56    .      .
 DVV      N68    C56    H68    .
 DVV      H68    N68    .      .
 DVV      C37    C39    C36    .
 DVV      H37    C37    .      .
 DVV      C36    C37    C33    .
 DVV      C38    C36    H38    .
 DVV      H38    C38    .      .
 DVV      C33    C36    C34    .
 DVV      H33    C33    .      .
 DVV      C34    C33    N43    .
 DVV      O35    C34    .      .
 DVV      N43    C34    C44    .
 DVV      H43    N43    .      .
 DVV      C44    N43    C47    .
 DVV      H44    C44    .      .
 DVV      C45    C44    N54    .
 DVV      O46    C45    .      .
 DVV      N54    C45    H54    .
 DVV      H54    N54    .      .
 DVV      C47    C44    C48    .
 DVV      C48    C47    C50    .
 DVV      H48    C48    .      .
 DVV      C50    C48    C73    .
 DVV      C52    C50    C51    .
 DVV      O53    C52    H53    .
 DVV      H53    O53    .      .
 DVV      C51    C52    C49    .
 DVV      H51    C51    .      .
 DVV      C49    C51    H49    .
 DVV      H49    C49    .      .
 DVV      C73    C50    C72    .
 DVV      C72    C73    C74    .
 DVV      C69    C72    C70    .
 DVV      H69    C69    .      .
 DVV      C70    C69    O71    .
 DVV      O80    C70    .      .
 DVV      O71    C70    .      .
 DVV      C74    C72    C77    .
 DVV      H74    C74    .      .
 DVV      C77    C74    C76    .
 DVV      O78    C77    H78    .
 DVV      H78    O78    .      .
 DVV      C76    C77    C75    .
 DVV      H76    C76    .      .
 DVV      C75    C76    O79    .
 DVV      O79    C75    H79    .
 DVV      H79    O79    .      END
 DVV      C69    N68    .    ADD
 DVV      C55    N54    .    ADD
 DVV      C33    N32    .    ADD
 DVV      C16    C18    .    ADD
 DVV      C40    C38    .    ADD
 DVV      C65    C63    .    ADD
 DVV      "C1'"  "O5'"  .    ADD
 DVV      C47    C49    .    ADD
 DVV      C73    C75    .    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
 DVV      O71    C70       deloc       1.250    0.020
 DVV      O80    C70       deloc       1.250    0.020
 DVV      C70    C69       single      1.500    0.020
 DVV      C69    N68       single      1.450    0.020
 DVV      C69    C72       single      1.480    0.020
 DVV      H69    C69       single      1.099    0.020
 DVV      N68    C56       single      1.330    0.020
 DVV      H68    N68       single      1.010    0.020
 DVV      O57    C56       double      1.220    0.020
 DVV      C56    C55       single      1.500    0.020
 DVV      C55    N54       single      1.450    0.020
 DVV      C55    C58       single      1.524    0.020
 DVV      H55    C55       single      1.099    0.020
 DVV      N54    C45       single      1.330    0.020
 DVV      H54    N54       single      1.010    0.020
 DVV      O46    C45       double      1.220    0.020
 DVV      C45    C44       single      1.500    0.020
 DVV      C44    N43       single      1.450    0.020
 DVV      C47    C44       single      1.480    0.020
 DVV      H44    C44       single      1.099    0.020
 DVV      N43    C34       single      1.330    0.020
 DVV      H43    N43       single      1.010    0.020
 DVV      O35    C34       double      1.220    0.020
 DVV      C34    C33       single      1.500    0.020
 DVV      C33    N32       single      1.450    0.020
 DVV      C33    C36       single      1.480    0.020
 DVV      H33    C33       single      1.099    0.020
 DVV      N32    C26       single      1.330    0.020
 DVV      H32    N32       single      1.010    0.020
 DVV      O27    C26       double      1.220    0.020
 DVV      C26    C25       single      1.500    0.020
 DVV      N24    C25       single      1.450    0.020
 DVV      C25    C28       single      1.524    0.020
 DVV      H25    C25       single      1.099    0.020
 DVV      C12    N24       single      1.330    0.020
 DVV      H24    N24       single      1.010    0.020
 DVV      O13    C12       double      1.220    0.020
 DVV      C11    C12       single      1.500    0.020
 DVV      N10    C11       single      1.450    0.020
 DVV      C14    C11       single      1.524    0.020
 DVV      H11    C11       single      1.099    0.020
 DVV      C4     N10       single      1.330    0.020
 DVV      H10    N10       single      1.010    0.020
 DVV      O5     C4        double      1.220    0.020
 DVV      C3     C4        single      1.500    0.020
 DVV      N2     C3        single      1.450    0.020
 DVV      C6     C3        single      1.524    0.020
 DVV      H3     C3        single      1.099    0.020
 DVV      C1     N2        single      1.450    0.020
 DVV      HN2    N2        single      1.010    0.020
 DVV      H11A   C1        single      1.059    0.020
 DVV      H12    C1        single      1.059    0.020
 DVV      H13    C1        single      1.059    0.020
 DVV      C7     C6        single      1.524    0.020
 DVV      H61A   C6        single      1.092    0.020
 DVV      H62A   C6        single      1.092    0.020
 DVV      C8     C7        single      1.524    0.020
 DVV      C9     C7        single      1.524    0.020
 DVV      H7     C7        single      1.099    0.020
 DVV      H81    C8        single      1.059    0.020
 DVV      H82    C8        single      1.059    0.020
 DVV      H83    C8        single      1.059    0.020
 DVV      H91    C9        single      1.059    0.020
 DVV      H92    C9        single      1.059    0.020
 DVV      H93    C9        single      1.059    0.020
 DVV      O15    C14       single      1.432    0.020
 DVV      C16    C14       single      1.480    0.020
 DVV      H14    C14       single      1.099    0.020
 DVV      H15    O15       single      0.967    0.020
 DVV      C16    C18       double      1.390    0.020
 DVV      C17    C16       single      1.390    0.020
 DVV      C18    C20       single      1.390    0.020
 DVV      H18    C18       single      1.083    0.020
 DVV      C20    C21       double      1.390    0.020
 DVV      H20    C20       single      1.083    0.020
 DVV      O22    C21       single      1.370    0.020
 DVV      C21    C19       single      1.487    0.020
 DVV      C40    O22       single      1.370    0.020
 DVV      C40    C38       double      1.390    0.020
 DVV      C41    C40       single      1.487    0.020
 DVV      C38    C36       single      1.390    0.020
 DVV      H38    C38       single      1.083    0.020
 DVV      C36    C37       double      1.390    0.020
 DVV      C37    C39       single      1.390    0.020
 DVV      H37    C37       single      1.083    0.020
 DVV      O66    C39       single      1.370    0.020
 DVV      C39    C41       double      1.487    0.020
 DVV      C65    O66       single      1.370    0.020
 DVV      C65    C63       double      1.390    0.020
 DVV      C64    C65       single      1.487    0.020
 DVV      C63    C61       single      1.390    0.020
 DVV      H63    C63       single      1.083    0.020
 DVV      C61    C60       double      1.390    0.020
 DVV      H61    C61       single      1.083    0.020
 DVV      C60    C62       single      1.390    0.020
 DVV      C58    C60       single      1.480    0.020
 DVV      C62    C64       double      1.390    0.020
 DVV      H62    C62       single      1.083    0.020
 DVV      CL6    C64       single      1.795    0.020
 DVV      O59    C58       single      1.432    0.020
 DVV      H58    C58       single      1.099    0.020
 DVV      H59    O59       single      0.967    0.020
 DVV      O42    C41       single      1.370    0.020
 DVV      "C1'"  O42       single      1.426    0.020
 DVV      "C1'"  "O5'"     single      1.426    0.020
 DVV      "C2'"  "C1'"     single      1.524    0.020
 DVV      "H1'"  "C1'"     single      1.099    0.020
 DVV      "O5'"  "C5'"     single      1.426    0.020
 DVV      "C6'"  "C5'"     single      1.524    0.020
 DVV      "C5'"  "C4'"     single      1.524    0.020
 DVV      "H5'"  "C5'"     single      1.099    0.020
 DVV      "O6'"  "C6'"     single      1.432    0.020
 DVV      "H6'1" "C6'"     single      1.092    0.020
 DVV      "H6'2" "C6'"     single      1.092    0.020
 DVV      "H6'"  "O6'"     single      0.967    0.020
 DVV      "O4'"  "C4'"     single      1.432    0.020
 DVV      "C4'"  "C3'"     single      1.524    0.020
 DVV      "H4'"  "C4'"     single      1.099    0.020
 DVV      H1     "O4'"     single      0.967    0.020
 DVV      "O3'"  "C3'"     single      1.432    0.020
 DVV      "C3'"  "C2'"     single      1.524    0.020
 DVV      "H3'"  "C3'"     single      1.099    0.020
 DVV      H2     "O3'"     single      0.967    0.020
 DVV      "O2'"  "C2'"     single      1.432    0.020
 DVV      "H2'"  "C2'"     single      1.099    0.020
 DVV      H4     "O2'"     single      0.967    0.020
 DVV      CL2    C19       single      1.795    0.020
 DVV      C19    C17       double      1.390    0.020
 DVV      H17    C17       single      1.083    0.020
 DVV      C28    C29       single      1.510    0.020
 DVV      H281   C28       single      1.092    0.020
 DVV      H282   C28       single      1.092    0.020
 DVV      C29    O30       double      1.220    0.020
 DVV      N31    C29       single      1.332    0.020
 DVV      H311   N31       single      1.010    0.020
 DVV      H312   N31       single      1.010    0.020
 DVV      C47    C49       double      1.390    0.020
 DVV      C48    C47       single      1.390    0.020
 DVV      C49    C51       single      1.390    0.020
 DVV      H49    C49       single      1.083    0.020
 DVV      C51    C52       double      1.390    0.020
 DVV      H51    C51       single      1.083    0.020
 DVV      O53    C52       single      1.362    0.020
 DVV      C52    C50       single      1.487    0.020
 DVV      H53    O53       single      0.967    0.020
 DVV      C50    C48       double      1.390    0.020
 DVV      C73    C50       single      1.487    0.020
 DVV      H48    C48       single      1.083    0.020
 DVV      C73    C75       double      1.487    0.020
 DVV      C72    C73       single      1.487    0.020
 DVV      O79    C75       single      1.362    0.020
 DVV      C75    C76       single      1.390    0.020
 DVV      H79    O79       single      0.967    0.020
 DVV      C76    C77       double      1.390    0.020
 DVV      H76    C76       single      1.083    0.020
 DVV      O78    C77       single      1.362    0.020
 DVV      C77    C74       single      1.390    0.020
 DVV      H78    O78       single      0.967    0.020
 DVV      C74    C72       double      1.390    0.020
 DVV      H74    C74       single      1.083    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
 DVV      O30    C29    N31     123.000    3.000
 DVV      O30    C29    C28     120.500    3.000
 DVV      N31    C29    C28     116.500    3.000
 DVV      C29    N31    H312    120.000    3.000
 DVV      C29    N31    H311    120.000    3.000
 DVV      H312   N31    H311    120.000    3.000
 DVV      C29    C28    H281    109.470    3.000
 DVV      C29    C28    H282    109.470    3.000
 DVV      C29    C28    C25     109.470    3.000
 DVV      H281   C28    H282    107.900    3.000
 DVV      H281   C28    C25     109.470    3.000
 DVV      H282   C28    C25     109.470    3.000
 DVV      C28    C25    H25     108.340    3.000
 DVV      C28    C25    C26     109.470    3.000
 DVV      C28    C25    N24     110.000    3.000
 DVV      H25    C25    C26     108.810    3.000
 DVV      H25    C25    N24     108.550    3.000
 DVV      C26    C25    N24     111.600    3.000
 DVV      C25    C26    O27     120.500    3.000
 DVV      C25    C26    N32     116.500    3.000
 DVV      O27    C26    N32     123.000    3.000
 DVV      C26    N32    H32     120.000    3.000
 DVV      C26    N32    C33     121.500    3.000
 DVV      H32    N32    C33     118.500    3.000
 DVV      C25    N24    H24     118.500    3.000
 DVV      C25    N24    C12     121.500    3.000
 DVV      H24    N24    C12     120.000    3.000
 DVV      N24    C12    O13     123.000    3.000
 DVV      N24    C12    C11     116.500    3.000
 DVV      O13    C12    C11     120.500    3.000
 DVV      C12    C11    H11     108.810    3.000
 DVV      C12    C11    N10     111.600    3.000
 DVV      C12    C11    C14     109.470    3.000
 DVV      H11    C11    N10     108.550    3.000
 DVV      H11    C11    C14     108.340    3.000
 DVV      N10    C11    C14     110.000    3.000
 DVV      C11    N10    H10     118.500    3.000
 DVV      C11    N10    C4      121.500    3.000
 DVV      H10    N10    C4      120.000    3.000
 DVV      N10    C4     C3      116.500    3.000
 DVV      N10    C4     O5      123.000    3.000
 DVV      C3     C4     O5      120.500    3.000
 DVV      C4     C3     H3      108.810    3.000
 DVV      C4     C3     C6      109.470    3.000
 DVV      C4     C3     N2      111.600    3.000
 DVV      H3     C3     C6      108.340    3.000
 DVV      H3     C3     N2      108.550    3.000
 DVV      C6     C3     N2      110.000    3.000
 DVV      C3     C6     H61A    109.470    3.000
 DVV      C3     C6     H62A    109.470    3.000
 DVV      C3     C6     C7      111.000    3.000
 DVV      H61A   C6     H62A    107.900    3.000
 DVV      H61A   C6     C7      109.470    3.000
 DVV      H62A   C6     C7      109.470    3.000
 DVV      C6     C7     H7      108.340    3.000
 DVV      C6     C7     C9      111.000    3.000
 DVV      C6     C7     C8      111.000    3.000
 DVV      H7     C7     C9      108.340    3.000
 DVV      H7     C7     C8      108.340    3.000
 DVV      C9     C7     C8      111.000    3.000
 DVV      C7     C9     H93     109.470    3.000
 DVV      C7     C9     H92     109.470    3.000
 DVV      C7     C9     H91     109.470    3.000
 DVV      H93    C9     H92     109.470    3.000
 DVV      H93    C9     H91     109.470    3.000
 DVV      H92    C9     H91     109.470    3.000
 DVV      C7     C8     H83     109.470    3.000
 DVV      C7     C8     H82     109.470    3.000
 DVV      C7     C8     H81     109.470    3.000
 DVV      H83    C8     H82     109.470    3.000
 DVV      H83    C8     H81     109.470    3.000
 DVV      H82    C8     H81     109.470    3.000
 DVV      C3     N2     HN2     118.500    3.000
 DVV      C3     N2     C1      120.000    3.000
 DVV      HN2    N2     C1      118.500    3.000
 DVV      N2     C1     H13     109.470    3.000
 DVV      N2     C1     H12     109.470    3.000
 DVV      N2     C1     H11A    109.470    3.000
 DVV      H13    C1     H12     109.470    3.000
 DVV      H13    C1     H11A    109.470    3.000
 DVV      H12    C1     H11A    109.470    3.000
 DVV      C11    C14    H14     108.340    3.000
 DVV      C11    C14    O15     109.470    3.000
 DVV      C11    C14    C16     109.470    3.000
 DVV      H14    C14    O15     109.470    3.000
 DVV      H14    C14    C16     109.470    3.000
 DVV      O15    C14    C16     109.470    3.000
 DVV      C14    O15    H15     109.470    3.000
 DVV      C14    C16    C17     120.000    3.000
 DVV      C14    C16    C18     120.000    3.000
 DVV      C17    C16    C18     120.000    3.000
 DVV      C16    C17    H17     120.000    3.000
 DVV      C16    C17    C19     120.000    3.000
 DVV      H17    C17    C19     120.000    3.000
 DVV      C17    C19    CL2     120.000    3.000
 DVV      C17    C19    C21     120.000    3.000
 DVV      CL2    C19    C21     120.000    3.000
 DVV      C19    C21    C20     120.000    3.000
 DVV      C19    C21    O22     120.000    3.000
 DVV      C20    C21    O22     120.000    3.000
 DVV      C21    C20    H20     120.000    3.000
 DVV      C21    C20    C18     120.000    3.000
 DVV      H20    C20    C18     120.000    3.000
 DVV      C20    C18    H18     120.000    3.000
 DVV      C20    C18    C16     120.000    3.000
 DVV      H18    C18    C16     120.000    3.000
 DVV      C21    O22    C40     120.000    3.000
 DVV      O22    C40    C41     120.000    3.000
 DVV      O22    C40    C38     120.000    3.000
 DVV      C41    C40    C38     120.000    3.000
 DVV      C40    C41    O42     120.000    3.000
 DVV      C40    C41    C39     120.000    3.000
 DVV      O42    C41    C39     120.000    3.000
 DVV      C41    O42    "C1'"   120.000    3.000
 DVV      O42    "C1'"  "H1'"   109.470    3.000
 DVV      O42    "C1'"  "C2'"   109.470    3.000
 DVV      O42    "C1'"  "O5'"   109.470    3.000
 DVV      "H1'"  "C1'"  "C2'"   108.340    3.000
 DVV      "H1'"  "C1'"  "O5'"   109.470    3.000
 DVV      "C2'"  "C1'"  "O5'"   109.470    3.000
 DVV      "C1'"  "C2'"  "H2'"   108.340    3.000
 DVV      "C1'"  "C2'"  "O2'"   109.470    3.000
 DVV      "C1'"  "C2'"  "C3'"   111.000    3.000
 DVV      "H2'"  "C2'"  "O2'"   109.470    3.000
 DVV      "H2'"  "C2'"  "C3'"   108.340    3.000
 DVV      "O2'"  "C2'"  "C3'"   109.470    3.000
 DVV      "C2'"  "O2'"  H4      109.470    3.000
 DVV      "C2'"  "C3'"  "H3'"   108.340    3.000
 DVV      "C2'"  "C3'"  "O3'"   109.470    3.000
 DVV      "C2'"  "C3'"  "C4'"   111.000    3.000
 DVV      "H3'"  "C3'"  "O3'"   109.470    3.000
 DVV      "H3'"  "C3'"  "C4'"   108.340    3.000
 DVV      "O3'"  "C3'"  "C4'"   109.470    3.000
 DVV      "C3'"  "O3'"  H2      109.470    3.000
 DVV      "C3'"  "C4'"  "H4'"   108.340    3.000
 DVV      "C3'"  "C4'"  "O4'"   109.470    3.000
 DVV      "C3'"  "C4'"  "C5'"   111.000    3.000
 DVV      "H4'"  "C4'"  "O4'"   109.470    3.000
 DVV      "H4'"  "C4'"  "C5'"   108.340    3.000
 DVV      "O4'"  "C4'"  "C5'"   109.470    3.000
 DVV      "C4'"  "O4'"  H1      109.470    3.000
 DVV      "C4'"  "C5'"  "H5'"   108.340    3.000
 DVV      "C4'"  "C5'"  "C6'"   111.000    3.000
 DVV      "C4'"  "C5'"  "O5'"   109.470    3.000
 DVV      "H5'"  "C5'"  "C6'"   108.340    3.000
 DVV      "H5'"  "C5'"  "O5'"   109.470    3.000
 DVV      "C6'"  "C5'"  "O5'"   109.470    3.000
 DVV      "C5'"  "C6'"  "H6'1"  109.470    3.000
 DVV      "C5'"  "C6'"  "H6'2"  109.470    3.000
 DVV      "C5'"  "C6'"  "O6'"   109.470    3.000
 DVV      "H6'1" "C6'"  "H6'2"  107.900    3.000
 DVV      "H6'1" "C6'"  "O6'"   109.470    3.000
 DVV      "H6'2" "C6'"  "O6'"   109.470    3.000
 DVV      "C6'"  "O6'"  "H6'"   109.470    3.000
 DVV      "C5'"  "O5'"  "C1'"   111.800    3.000
 DVV      C41    C39    O66     120.000    3.000
 DVV      C41    C39    C37     120.000    3.000
 DVV      O66    C39    C37     120.000    3.000
 DVV      C39    O66    C65     120.000    3.000
 DVV      O66    C65    C64     120.000    3.000
 DVV      O66    C65    C63     120.000    3.000
 DVV      C64    C65    C63     120.000    3.000
 DVV      C65    C64    CL6     120.000    3.000
 DVV      C65    C64    C62     120.000    3.000
 DVV      CL6    C64    C62     120.000    3.000
 DVV      C64    C62    H62     120.000    3.000
 DVV      C64    C62    C60     120.000    3.000
 DVV      H62    C62    C60     120.000    3.000
 DVV      C62    C60    C61     120.000    3.000
 DVV      C62    C60    C58     120.000    3.000
 DVV      C61    C60    C58     120.000    3.000
 DVV      C60    C61    H61     120.000    3.000
 DVV      C60    C61    C63     120.000    3.000
 DVV      H61    C61    C63     120.000    3.000
 DVV      C61    C63    H63     120.000    3.000
 DVV      C61    C63    C65     120.000    3.000
 DVV      H63    C63    C65     120.000    3.000
 DVV      C60    C58    H58     109.470    3.000
 DVV      C60    C58    O59     109.470    3.000
 DVV      C60    C58    C55     109.470    3.000
 DVV      H58    C58    O59     109.470    3.000
 DVV      H58    C58    C55     108.340    3.000
 DVV      O59    C58    C55     109.470    3.000
 DVV      C58    O59    H59     109.470    3.000
 DVV      C58    C55    H55     108.340    3.000
 DVV      C58    C55    C56     109.470    3.000
 DVV      C58    C55    N54     110.000    3.000
 DVV      H55    C55    C56     108.810    3.000
 DVV      H55    C55    N54     108.550    3.000
 DVV      C56    C55    N54     111.600    3.000
 DVV      C55    C56    O57     120.500    3.000
 DVV      C55    C56    N68     116.500    3.000
 DVV      O57    C56    N68     123.000    3.000
 DVV      C56    N68    H68     120.000    3.000
 DVV      C56    N68    C69     121.500    3.000
 DVV      H68    N68    C69     118.500    3.000
 DVV      C39    C37    H37     120.000    3.000
 DVV      C39    C37    C36     120.000    3.000
 DVV      H37    C37    C36     120.000    3.000
 DVV      C37    C36    C38     120.000    3.000
 DVV      C37    C36    C33     120.000    3.000
 DVV      C38    C36    C33     120.000    3.000
 DVV      C36    C38    H38     120.000    3.000
 DVV      C36    C38    C40     120.000    3.000
 DVV      H38    C38    C40     120.000    3.000
 DVV      C36    C33    H33     109.470    3.000
 DVV      C36    C33    C34     109.500    3.000
 DVV      C36    C33    N32     109.470    3.000
 DVV      H33    C33    C34     108.810    3.000
 DVV      H33    C33    N32     108.550    3.000
 DVV      C34    C33    N32     111.600    3.000
 DVV      C33    C34    O35     120.500    3.000
 DVV      C33    C34    N43     116.500    3.000
 DVV      O35    C34    N43     123.000    3.000
 DVV      C34    N43    H43     120.000    3.000
 DVV      C34    N43    C44     121.500    3.000
 DVV      H43    N43    C44     118.500    3.000
 DVV      N43    C44    H44     108.550    3.000
 DVV      N43    C44    C45     111.600    3.000
 DVV      N43    C44    C47     109.470    3.000
 DVV      H44    C44    C45     108.810    3.000
 DVV      H44    C44    C47     109.470    3.000
 DVV      C45    C44    C47     109.500    3.000
 DVV      C44    C45    O46     120.500    3.000
 DVV      C44    C45    N54     116.500    3.000
 DVV      O46    C45    N54     123.000    3.000
 DVV      C45    N54    H54     120.000    3.000
 DVV      C45    N54    C55     121.500    3.000
 DVV      H54    N54    C55     118.500    3.000
 DVV      C44    C47    C48     120.000    3.000
 DVV      C44    C47    C49     120.000    3.000
 DVV      C48    C47    C49     120.000    3.000
 DVV      C47    C48    H48     120.000    3.000
 DVV      C47    C48    C50     120.000    3.000
 DVV      H48    C48    C50     120.000    3.000
 DVV      C48    C50    C52     120.000    3.000
 DVV      C48    C50    C73     120.000    3.000
 DVV      C52    C50    C73     120.000    3.000
 DVV      C50    C52    O53     120.000    3.000
 DVV      C50    C52    C51     120.000    3.000
 DVV      O53    C52    C51     120.000    3.000
 DVV      C52    O53    H53     109.470    3.000
 DVV      C52    C51    H51     120.000    3.000
 DVV      C52    C51    C49     120.000    3.000
 DVV      H51    C51    C49     120.000    3.000
 DVV      C51    C49    H49     120.000    3.000
 DVV      C51    C49    C47     120.000    3.000
 DVV      H49    C49    C47     120.000    3.000
 DVV      C50    C73    C72     120.000    3.000
 DVV      C50    C73    C75     120.000    3.000
 DVV      C72    C73    C75     120.000    3.000
 DVV      C73    C72    C69     120.000    3.000
 DVV      C73    C72    C74     120.000    3.000
 DVV      C69    C72    C74     120.000    3.000
 DVV      C72    C69    H69     109.470    3.000
 DVV      C72    C69    C70     109.500    3.000
 DVV      C72    C69    N68     109.470    3.000
 DVV      H69    C69    C70     108.810    3.000
 DVV      H69    C69    N68     108.550    3.000
 DVV      C70    C69    N68     111.600    3.000
 DVV      C69    C70    O80     118.500    3.000
 DVV      C69    C70    O71     118.500    3.000
 DVV      O80    C70    O71     123.000    3.000
 DVV      C72    C74    H74     120.000    3.000
 DVV      C72    C74    C77     120.000    3.000
 DVV      H74    C74    C77     120.000    3.000
 DVV      C74    C77    O78     120.000    3.000
 DVV      C74    C77    C76     120.000    3.000
 DVV      O78    C77    C76     120.000    3.000
 DVV      C77    O78    H78     109.470    3.000
 DVV      C77    C76    H76     120.000    3.000
 DVV      C77    C76    C75     120.000    3.000
 DVV      H76    C76    C75     120.000    3.000
 DVV      C76    C75    O79     120.000    3.000
 DVV      C76    C75    C73     120.000    3.000
 DVV      O79    C75    C73     120.000    3.000
 DVV      C75    O79    H79     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
 DVV      CONST_1  O30    C29    N31    H311     180.000    0.000   0
 DVV      var_1    O30    C29    C28    C25       28.994   20.000   3
 DVV      var_2    C29    C28    C25    N24     -178.843   20.000   3
 DVV      var_3    C28    C25    C26    N32        2.951   20.000   3
 DVV      CONST_2  C25    C26    N32    C33      180.000    0.000   0
 DVV      var_4    C28    C25    N24    C12       71.317   20.000   3
 DVV      CONST_3  C25    N24    C12    C11      180.000    0.000   0
 DVV      var_5    N24    C12    C11    C14       84.212   20.000   3
 DVV      var_6    C12    C11    N10    C4       145.296   20.000   3
 DVV      CONST_4  C11    N10    C4     O5         0.000    0.000   0
 DVV      var_7    N10    C4     C3     N2      -147.546   20.000   3
 DVV      var_8    C4     C3     C6     C7      -177.988   20.000   3
 DVV      var_9    C3     C6     C7     C8        57.942   20.000   3
 DVV      var_10   C6     C7     C9     H91       55.650   20.000   3
 DVV      var_11   C6     C7     C8     H81      177.841   20.000   3
 DVV      var_12   C4     C3     N2     C1        60.390   20.000   3
 DVV      var_13   C3     N2     C1     H11A    -165.862   20.000   1
 DVV      var_14   C12    C11    C14    C16      -73.082   20.000   3
 DVV      var_15   C11    C14    O15    H15      116.457   20.000   1
 DVV      var_16   C11    C14    C16    C17      -71.309   20.000   1
 DVV      CONST_5  C14    C16    C18    C20      180.000    0.000   0
 DVV      CONST_6  C14    C16    C17    C19      180.000    0.000   0
 DVV      CONST_7  C16    C17    C19    C21        0.000    0.000   0
 DVV      CONST_8  C17    C19    C21    O22      180.000    0.000   0
 DVV      CONST_9  C19    C21    C20    C18        0.000    0.000   0
 DVV      CONST_10 C21    C20    C18    C16        0.000    0.000   0
 DVV      var_17   C19    C21    O22    C40      106.940   20.000   1
 DVV      var_18   C21    O22    C40    C41      168.273   20.000   1
 DVV      CONST_11 O22    C40    C38    C36      180.000    0.000   0
 DVV      CONST_12 O22    C40    C41    C39      180.000    0.000   0
 DVV      var_19   C40    C41    O42    "C1'"    -89.335   20.000   1
 DVV      var_20   C41    O42    "C1'"  "C2'"    179.835   20.000   1
 DVV      var_21   O42    "C1'"  "O5'"  "C5'"    180.000   20.000   1
 DVV      var_22   O42    "C1'"  "C2'"  "C3'"    180.000   20.000   3
 DVV      var_23   "C1'"  "C2'"  "O2'"  H4      -135.161   20.000   1
 DVV      var_24   "C1'"  "C2'"  "C3'"  "C4'"    -60.000   20.000   3
 DVV      var_25   "C2'"  "C3'"  "O3'"  H2       -30.029   20.000   1
 DVV      var_26   "C2'"  "C3'"  "C4'"  "C5'"     60.000   20.000   3
 DVV      var_27   "C3'"  "C4'"  "O4'"  H1       -85.724   20.000   1
 DVV      var_28   "C3'"  "C4'"  "C5'"  "O5'"    -60.000   20.000   3
 DVV      var_29   "C4'"  "C5'"  "C6'"  "O6'"    179.559   20.000   3
 DVV      var_30   "C5'"  "C6'"  "O6'"  "H6'"     -1.955   20.000   1
 DVV      var_31   "C4'"  "C5'"  "O5'"  "C1'"     60.000   20.000   1
 DVV      CONST_13 C40    C41    C39    C37        0.000    0.000   0
 DVV      var_32   C41    C39    O66    C65      148.569   20.000   1
 DVV      var_33   C39    O66    C65    C64      110.925   20.000   1
 DVV      CONST_14 O66    C65    C63    C61      180.000    0.000   0
 DVV      CONST_15 O66    C65    C64    C62      180.000    0.000   0
 DVV      CONST_16 C65    C64    C62    C60        0.000    0.000   0
 DVV      CONST_17 C64    C62    C60    C58      180.000    0.000   0
 DVV      CONST_18 C62    C60    C61    C63        0.000    0.000   0
 DVV      CONST_19 C60    C61    C63    C65        0.000    0.000   0
 DVV      var_34   C62    C60    C58    C55      -51.916   20.000   1
 DVV      var_35   C60    C58    O59    H59     -149.016   20.000   1
 DVV      var_36   C60    C58    C55    C56     -173.537   20.000   3
 DVV      var_37   C58    C55    N54    C45      152.787   20.000   3
 DVV      var_38   C58    C55    C56    N68       90.142   20.000   3
 DVV      CONST_20 C55    C56    N68    C69      180.000    0.000   0
 DVV      CONST_21 C41    C39    C37    C36        0.000    0.000   0
 DVV      CONST_22 C39    C37    C36    C33      180.000    0.000   0
 DVV      CONST_23 C37    C36    C38    C40        0.000    0.000   0
 DVV      var_39   C37    C36    C33    C34      -29.255   20.000   1
 DVV      var_40   C36    C33    N32    C26     -110.094   20.000   3
 DVV      var_41   C36    C33    C34    N43      114.014   20.000   3
 DVV      CONST_24 C33    C34    N43    C44      180.000    0.000   0
 DVV      var_42   C34    N43    C44    C47     -135.666   20.000   3
 DVV      var_43   N43    C44    C45    N54       46.310   20.000   3
 DVV      CONST_25 C44    C45    N54    C55      180.000    0.000   0
 DVV      var_44   N43    C44    C47    C48      -57.972   20.000   1
 DVV      CONST_26 C44    C47    C49    C51      180.000    0.000   0
 DVV      CONST_27 C44    C47    C48    C50     -150.000    0.000   0
 DVV      CONST_28 C47    C48    C50    C73      180.000    0.000   0
 DVV      CONST_29 C48    C50    C52    C51        0.000    0.000   0
 DVV      var_45   C50    C52    O53    H53       46.133   20.000   1
 DVV      CONST_30 C50    C52    C51    C49        0.000    0.000   0
 DVV      CONST_31 C52    C51    C49    C47        0.000    0.000   0
 DVV      CONST_32 C48    C50    C73    C72        0.000    0.000   0
 DVV      CONST_33 C50    C73    C75    C76      180.000    0.000   0
 DVV      CONST_34 C50    C73    C72    C74      180.000    0.000   0
 DVV      var_46   C73    C72    C69    C70      -57.772   20.000   1
 DVV      var_47   C72    C69    N68    C56      171.763   20.000   3
 DVV      var_48   C72    C69    C70    O71      -60.476   20.000   3
 DVV      CONST_35 C73    C72    C74    C77        0.000    0.000   0
 DVV      CONST_36 C72    C74    C77    C76        0.000    0.000   0
 DVV      var_49   C74    C77    O78    H78       -9.578   20.000   1
 DVV      CONST_37 C74    C77    C76    C75        0.000    0.000   0
 DVV      CONST_38 C77    C76    C75    O79      180.000    0.000   0
 DVV      var_50   C76    C75    O79    H79      107.685   20.000   1
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
 DVV      chir_01  C69    C70    N68    C72       negativ
 DVV      chir_02  C55    C56    N54    C58       negativ
 DVV      chir_03  C44    C45    N43    C47       positiv
 DVV      chir_04  C33    C34    N32    C36       positiv
 DVV      chir_05  C25    C26    N24    C28       negativ
 DVV      chir_06  C11    C12    N10    C14       positiv
 DVV      chir_07  C3     C4     N2     C6        positiv
 DVV      chir_08  C7     C6     C8     C9        positiv
 DVV      chir_09  C14    C11    O15    C16       positiv
 DVV      chir_10  C58    C55    C60    O59       negativ
 DVV      chir_11  "C1'"  O42    "O5'"  "C2'"     positiv
 DVV      chir_12  "C5'"  "O5'"  "C6'"  "C4'"     positiv
 DVV      chir_13  "C4'"  "C5'"  "O4'"  "C3'"     negativ
 DVV      chir_14  "C3'"  "C4'"  "O3'"  "C2'"     positiv
 DVV      chir_15  "C2'"  "C1'"  "C3'"  "O2'"     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
 DVV      plan-1    C70       0.020
 DVV      plan-1    O71       0.020
 DVV      plan-1    O80       0.020
 DVV      plan-1    C69       0.020
 DVV      plan-2    N68       0.020
 DVV      plan-2    C69       0.020
 DVV      plan-2    C56       0.020
 DVV      plan-2    H68       0.020
 DVV      plan-3    C56       0.020
 DVV      plan-3    N68       0.020
 DVV      plan-3    O57       0.020
 DVV      plan-3    C55       0.020
 DVV      plan-3    H68       0.020
 DVV      plan-4    N54       0.020
 DVV      plan-4    C55       0.020
 DVV      plan-4    C45       0.020
 DVV      plan-4    H54       0.020
 DVV      plan-5    C45       0.020
 DVV      plan-5    N54       0.020
 DVV      plan-5    O46       0.020
 DVV      plan-5    C44       0.020
 DVV      plan-5    H54       0.020
 DVV      plan-6    N43       0.020
 DVV      plan-6    C44       0.020
 DVV      plan-6    C34       0.020
 DVV      plan-6    H43       0.020
 DVV      plan-7    C34       0.020
 DVV      plan-7    N43       0.020
 DVV      plan-7    O35       0.020
 DVV      plan-7    C33       0.020
 DVV      plan-7    H43       0.020
 DVV      plan-8    N32       0.020
 DVV      plan-8    C33       0.020
 DVV      plan-8    C26       0.020
 DVV      plan-8    H32       0.020
 DVV      plan-9    C26       0.020
 DVV      plan-9    N32       0.020
 DVV      plan-9    O27       0.020
 DVV      plan-9    C25       0.020
 DVV      plan-9    H32       0.020
 DVV      plan-10   N24       0.020
 DVV      plan-10   C25       0.020
 DVV      plan-10   C12       0.020
 DVV      plan-10   H24       0.020
 DVV      plan-11   C12       0.020
 DVV      plan-11   N24       0.020
 DVV      plan-11   O13       0.020
 DVV      plan-11   C11       0.020
 DVV      plan-11   H24       0.020
 DVV      plan-12   N10       0.020
 DVV      plan-12   C11       0.020
 DVV      plan-12   C4        0.020
 DVV      plan-12   H10       0.020
 DVV      plan-13   C4        0.020
 DVV      plan-13   N10       0.020
 DVV      plan-13   O5        0.020
 DVV      plan-13   C3        0.020
 DVV      plan-13   H10       0.020
 DVV      plan-14   N2        0.020
 DVV      plan-14   C3        0.020
 DVV      plan-14   C1        0.020
 DVV      plan-14   HN2       0.020
 DVV      plan-15   C16       0.020
 DVV      plan-15   C14       0.020
 DVV      plan-15   C18       0.020
 DVV      plan-15   C17       0.020
 DVV      plan-15   C20       0.020
 DVV      plan-15   C21       0.020
 DVV      plan-15   C19       0.020
 DVV      plan-15   H18       0.020
 DVV      plan-15   H20       0.020
 DVV      plan-15   O22       0.020
 DVV      plan-15   CL2       0.020
 DVV      plan-15   H17       0.020
 DVV      plan-16   C40       0.020
 DVV      plan-16   O22       0.020
 DVV      plan-16   C38       0.020
 DVV      plan-16   C41       0.020
 DVV      plan-16   C36       0.020
 DVV      plan-16   C37       0.020
 DVV      plan-16   C39       0.020
 DVV      plan-16   H38       0.020
 DVV      plan-16   C33       0.020
 DVV      plan-16   H37       0.020
 DVV      plan-16   O66       0.020
 DVV      plan-16   O42       0.020
 DVV      plan-17   C65       0.020
 DVV      plan-17   O66       0.020
 DVV      plan-17   C63       0.020
 DVV      plan-17   C64       0.020
 DVV      plan-17   C61       0.020
 DVV      plan-17   C60       0.020
 DVV      plan-17   C62       0.020
 DVV      plan-17   H63       0.020
 DVV      plan-17   H61       0.020
 DVV      plan-17   C58       0.020
 DVV      plan-17   H62       0.020
 DVV      plan-17   CL6       0.020
 DVV      plan-18   C29       0.020
 DVV      plan-18   C28       0.020
 DVV      plan-18   O30       0.020
 DVV      plan-18   N31       0.020
 DVV      plan-18   H312      0.020
 DVV      plan-18   H311      0.020
 DVV      plan-19   N31       0.020
 DVV      plan-19   C29       0.020
 DVV      plan-19   H311      0.020
 DVV      plan-19   H312      0.020
 DVV      plan-20   C47       0.020
 DVV      plan-20   C44       0.020
 DVV      plan-20   C49       0.020
 DVV      plan-20   C48       0.020
 DVV      plan-20   C51       0.020
 DVV      plan-20   C52       0.020
 DVV      plan-20   C50       0.020
 DVV      plan-20   H49       0.020
 DVV      plan-20   H51       0.020
 DVV      plan-20   O53       0.020
 DVV      plan-20   C73       0.020
 DVV      plan-20   H48       0.020
 DVV      plan-21   C73       0.020
 DVV      plan-21   C50       0.020
 DVV      plan-21   C75       0.020
 DVV      plan-21   C72       0.020
 DVV      plan-21   C76       0.020
 DVV      plan-21   C77       0.020
 DVV      plan-21   C74       0.020
 DVV      plan-21   O79       0.020
 DVV      plan-21   H76       0.020
 DVV      plan-21   O78       0.020
 DVV      plan-21   H74       0.020
 DVV      plan-21   C69       0.020
# ------------------------------------------------------