File: PL1.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
PL1      PL1 'COBALT (III)-DEGLYCOPEPLEOMYCIN     ' non-polymer       148  80 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_PL1
#
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
 PL1           O49    O    O         0.000      0.000    0.000    0.000
 PL1           C49    C    C         0.000     -0.717    0.329    0.926
 PL1           NP     N    NH1       0.000     -0.424   -0.070    2.179
 PL1           HNP    H    H         0.000     -1.020    0.203    2.948
 PL1           C51    C    CH2       0.000      0.756   -0.900    2.426
 PL1           H6E    H    H         0.000      1.651   -0.364    2.103
 PL1           H6X    H    H         0.000      0.669   -1.832    1.865
 PL1           C52    C    CH2       0.000      0.858   -1.211    3.922
 PL1           H7E    H    H         0.000     -0.038   -1.746    4.243
 PL1           H7X    H    H         0.000      0.944   -0.278    4.482
 PL1           C53    C    CH2       0.000      2.091   -2.078    4.179
 PL1           H8E    H    H         0.000      2.987   -1.542    3.856
 PL1           H8X    H    H         0.000      2.004   -3.010    3.617
 PL1           NQ     N    NH1       0.000      2.188   -2.377    5.615
 PL1           HNQ    H    H         0.000      1.554   -2.071    6.338
 PL1           C54    C    CH1       0.000      3.387   -3.207    5.793
 PL1           H54    H    H         0.000      3.507   -3.868    4.923
 PL1           CE     C    CH3       0.000      4.617   -2.307    5.924
 PL1           HEC    H    H         0.000      5.482   -2.905    6.053
 PL1           HEB    H    H         0.000      4.723   -1.720    5.047
 PL1           HEA    H    H         0.000      4.502   -1.669    6.762
 PL1           C56    C    CR6       0.000      3.240   -4.040    7.040
 PL1           C61    C    CR16      0.000      2.679   -3.490    8.177
 PL1           H61    H    H         0.000      2.349   -2.458    8.173
 PL1           C60    C    CR16      0.000      2.539   -4.255    9.320
 PL1           H60    H    H         0.000      2.093   -3.826   10.208
 PL1           C59    C    CR16      0.000      2.970   -5.570    9.327
 PL1           H59    H    H         0.000      2.864   -6.169   10.223
 PL1           C58    C    CR16      0.000      3.536   -6.118    8.192
 PL1           H58    H    H         0.000      3.873   -7.147    8.199
 PL1           C57    C    CR16      0.000      3.671   -5.354    7.049
 PL1           H57    H    H         0.000      4.115   -5.784    6.159
 PL1           C48    C    CR5       0.000     -1.905    1.164    0.677
 PL1           NO     N    NRD5      0.000     -2.690    1.531    1.680
 PL1           C46    C    CR5       0.000     -3.755    2.275    1.444
 PL1           S46    S    S2        0.000     -3.657    2.497   -0.324
 PL1           C47    C    CR15      0.000     -2.211    1.575   -0.596
 PL1           H47    H    H         0.000     -1.689    1.377   -1.524
 PL1           C45    C    CR5       0.000     -4.761    2.793    2.396
 PL1           NN     N    NRD5      0.000     -5.779    3.534    1.980
 PL1           C43    C    CR5       0.000     -6.671    4.001    2.817
 PL1           S43    S    S2        0.000     -6.117    3.384    4.341
 PL1           C44    C    CR15      0.000     -4.676    2.518    3.736
 PL1           H44    H    H         0.000     -3.939    1.938    4.278
 PL1           C42    C    CH2       0.000     -7.879    4.855    2.527
 PL1           H2E    H    H         0.000     -7.678    5.487    1.660
 PL1           H2X    H    H         0.000     -8.095    5.485    3.393
 PL1           C41    C    CH2       0.000     -9.082    3.955    2.237
 PL1           H1E    H    H         0.000     -9.280    3.322    3.105
 PL1           H1X    H    H         0.000     -8.864    3.325    1.372
 PL1           NM     N    NH1       0.000    -10.257    4.784    1.957
 PL1           HNM    H    H         0.000    -10.180    5.791    1.977
 PL1           C40    C    C         0.000    -11.439    4.204    1.672
 PL1           O40    O    O         0.000    -11.513    2.998    1.568
 PL1           C37    C    CH1       0.000    -12.669    5.054    1.482
 PL1           H37    H    H         0.000    -12.404    5.965    0.927
 PL1           C38    C    CH1       0.000    -13.239    5.439    2.848
 PL1           H38    H    H         0.000    -12.498    6.037    3.398
 PL1           OH3    O    OH1       0.000    -13.540    4.255    3.590
 PL1           HO3    H    H         0.000    -12.732    3.737    3.712
 PL1           CD     C    CH3       0.000    -14.515    6.259    2.657
 PL1           HDC    H    H         0.000    -14.318    7.076    2.012
 PL1           HDB    H    H         0.000    -15.269    5.648    2.231
 PL1           HDA    H    H         0.000    -14.846    6.624    3.595
 PL1           NL     N    NH1       0.000    -13.674    4.299    0.730
 PL1           HNL    H    H         0.000    -13.665    3.289    0.749
 PL1           C36    C    C         0.000    -14.609    4.951    0.012
 PL1           O36    O    O         0.000    -14.620    6.163   -0.011
 PL1           C34    C    CH1       0.000    -15.643    4.173   -0.762
 PL1           H34    H    H         0.000    -15.142    3.531   -1.500
 PL1           CC     C    CH3       0.000    -16.454    3.305    0.202
 PL1           HCC    H    H         0.000    -15.818    2.590    0.657
 PL1           HCB    H    H         0.000    -16.889    3.916    0.950
 PL1           HCA    H    H         0.000    -17.220    2.804   -0.332
 PL1           C33    C    CH1       0.000    -16.578    5.146   -1.483
 PL1           H33    H    H         0.000    -15.987    5.814   -2.125
 PL1           OH2    O    OH1       0.000    -17.295    5.921   -0.520
 PL1           HO2    H    H         0.000    -17.814    5.332    0.045
 PL1           C31    C    CH1       0.000    -17.569    4.357   -2.342
 PL1           H31    H    H         0.000    -18.150    3.679   -1.702
 PL1           CB     C    CH3       0.000    -18.516    5.330   -3.049
 PL1           HBC    H    H         0.000    -17.966    5.933   -3.724
 PL1           HBB    H    H         0.000    -19.250    4.784   -3.584
 PL1           HBA    H    H         0.000    -18.990    5.948   -2.331
 PL1           NK     N    NH1       0.000    -16.836    3.577   -3.341
 PL1           HNK    H    H         0.000    -15.919    3.875   -3.641
 PL1           C30    C    C         0.000    -17.385    2.461   -3.861
 PL1           O30    O    O         0.000    -18.445    2.053   -3.436
 PL1           C13    C    CH1       0.000    -16.681    1.720   -4.969
 PL1           H13    H    H         0.000    -15.595    1.763   -4.807
 PL1           C14    C    CH1       0.000    -17.023    2.370   -6.312
 PL1           H14    H    H         0.000    -18.099    2.263   -6.508
 PL1           OH1    O    OH1       0.000    -16.682    3.757   -6.272
 PL1           HO1    H    H         0.000    -17.246    4.208   -5.629
 PL1           C27    C    CR5       0.000    -16.243    1.693   -7.410
 PL1           NJ     N    NRD5      0.000    -14.910    1.547   -7.455
 PL1           C29    C    CR15      0.000    -14.584    0.911   -8.547
 PL1           H29    H    H         0.000    -13.578    0.647   -8.847
 PL1           NI     N    NR15      0.000    -15.710    0.638   -9.242
 PL1           HNI    H    H         0.000    -15.766    0.143  -10.155
 PL1           C28    C    CR15      0.000    -16.762    1.134   -8.520
 PL1           H28    H    H         0.000    -17.809    1.086   -8.790
 PL1           NH     N    NH1       0.000    -17.120    0.323   -4.977
 PL1           HNH    H    H         0.000    -18.102    0.101   -4.902
 PL1           C12    C    C         0.000    -16.211   -0.668   -5.086
 PL1           O12    O    O         0.000    -15.043   -0.401   -5.287
 PL1           C10    C    CR6       0.000    -16.638   -2.083   -4.960
 PL1           NG     N    NR6       1.000    -16.606   -2.697   -3.777
 PL1           CO     CO   CO        0.000    -16.046   -1.789   -2.315
 PL1           O1P    O    O2        0.000    -15.514   -0.925   -0.926
 PL1           O2P    O    OH1       0.000    -16.358    0.273   -0.822
 PL1           H2P    H    H         0.000    -16.277    0.902   -0.068
 PL1           C7     C    CR6       0.000    -16.988   -3.951   -3.655
 PL1           NE     N    NRD6      0.000    -17.405   -4.657   -4.686
 PL1           C8     C    CR6       0.000    -17.461   -4.124   -5.901
 PL1           NF     N    NH2       0.000    -17.900   -4.875   -6.980
 PL1           HF2    H    H         0.000    -18.183   -5.842   -6.854
 PL1           HF1    H    H         0.000    -17.944   -4.468   -7.909
 PL1           C9     C    CR6       0.000    -17.071   -2.792   -6.076
 PL1           CA     C    CH3       0.000    -17.118   -2.143   -7.435
 PL1           HAC    H    H         0.000    -17.845   -2.628   -8.033
 PL1           HAB    H    H         0.000    -17.372   -1.121   -7.330
 PL1           HAA    H    H         0.000    -16.169   -2.225   -7.898
 PL1           C6     C    CH1       0.000    -16.940   -4.599   -2.295
 PL1           H6     H    H         0.000    -16.555   -3.879   -1.559
 PL1           C5     C    CH2       0.000    -16.020   -5.820   -2.344
 PL1           H5E    H    H         0.000    -16.376   -6.513   -3.109
 PL1           H5X    H    H         0.000    -16.025   -6.318   -1.372
 PL1           C4     C    C         0.000    -14.618   -5.379   -2.677
 PL1           O4     O    O         0.000    -14.359   -4.198   -2.765
 PL1           ND     N    NH2       0.000    -13.651   -6.297   -2.875
 PL1           HD2    H    H         0.000    -12.708   -6.005   -3.099
 PL1           HD1    H    H         0.000    -13.862   -7.285   -2.801
 PL1           NC     N    NH1       0.000    -18.293   -5.020   -1.907
 PL1           HNC    H    H         0.000    -19.058   -5.239   -2.528
 PL1           C3     C    CH2       0.000    -18.317   -5.062   -0.438
 PL1           H3E    H    H         0.000    -18.156   -4.056   -0.044
 PL1           H3X    H    H         0.000    -17.525   -5.723   -0.080
 PL1           C2     C    CH1       0.000    -19.674   -5.586    0.036
 PL1           H2     H    H         0.000    -19.797   -6.629   -0.287
 PL1           NB     N    NH2       0.000    -20.745   -4.764   -0.545
 PL1           HB2    H    H         0.000    -21.447   -5.186   -1.142
 PL1           HB1    H    H         0.000    -20.789   -3.770   -0.353
 PL1           C1     C    C         0.000    -19.744   -5.513    1.539
 PL1           O1     O    O         0.000    -20.331   -4.597    2.075
 PL1           NA     N    NH2       0.000    -19.154   -6.465    2.288
 PL1           HA2    H    H         0.000    -19.198   -6.421    3.299
 PL1           HA1    H    H         0.000    -18.662   -7.232    1.845
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
 PL1      O49    n/a    C49    START
 PL1      C49    O49    C48    .
 PL1      NP     C49    C51    .
 PL1      HNP    NP     .      .
 PL1      C51    NP     C52    .
 PL1      H6E    C51    .      .
 PL1      H6X    C51    .      .
 PL1      C52    C51    C53    .
 PL1      H7E    C52    .      .
 PL1      H7X    C52    .      .
 PL1      C53    C52    NQ     .
 PL1      H8E    C53    .      .
 PL1      H8X    C53    .      .
 PL1      NQ     C53    C54    .
 PL1      HNQ    NQ     .      .
 PL1      C54    NQ     C56    .
 PL1      H54    C54    .      .
 PL1      CE     C54    HEA    .
 PL1      HEC    CE     .      .
 PL1      HEB    CE     .      .
 PL1      HEA    CE     .      .
 PL1      C56    C54    C61    .
 PL1      C61    C56    C60    .
 PL1      H61    C61    .      .
 PL1      C60    C61    C59    .
 PL1      H60    C60    .      .
 PL1      C59    C60    C58    .
 PL1      H59    C59    .      .
 PL1      C58    C59    C57    .
 PL1      H58    C58    .      .
 PL1      C57    C58    H57    .
 PL1      H57    C57    .      .
 PL1      C48    C49    NO     .
 PL1      NO     C48    C46    .
 PL1      C46    NO     C45    .
 PL1      S46    C46    C47    .
 PL1      C47    S46    H47    .
 PL1      H47    C47    .      .
 PL1      C45    C46    NN     .
 PL1      NN     C45    C43    .
 PL1      C43    NN     C42    .
 PL1      S43    C43    C44    .
 PL1      C44    S43    H44    .
 PL1      H44    C44    .      .
 PL1      C42    C43    C41    .
 PL1      H2E    C42    .      .
 PL1      H2X    C42    .      .
 PL1      C41    C42    NM     .
 PL1      H1E    C41    .      .
 PL1      H1X    C41    .      .
 PL1      NM     C41    C40    .
 PL1      HNM    NM     .      .
 PL1      C40    NM     C37    .
 PL1      O40    C40    .      .
 PL1      C37    C40    NL     .
 PL1      H37    C37    .      .
 PL1      C38    C37    CD     .
 PL1      H38    C38    .      .
 PL1      OH3    C38    HO3    .
 PL1      HO3    OH3    .      .
 PL1      CD     C38    HDA    .
 PL1      HDC    CD     .      .
 PL1      HDB    CD     .      .
 PL1      HDA    CD     .      .
 PL1      NL     C37    C36    .
 PL1      HNL    NL     .      .
 PL1      C36    NL     C34    .
 PL1      O36    C36    .      .
 PL1      C34    C36    C33    .
 PL1      H34    C34    .      .
 PL1      CC     C34    HCA    .
 PL1      HCC    CC     .      .
 PL1      HCB    CC     .      .
 PL1      HCA    CC     .      .
 PL1      C33    C34    C31    .
 PL1      H33    C33    .      .
 PL1      OH2    C33    HO2    .
 PL1      HO2    OH2    .      .
 PL1      C31    C33    NK     .
 PL1      H31    C31    .      .
 PL1      CB     C31    HBA    .
 PL1      HBC    CB     .      .
 PL1      HBB    CB     .      .
 PL1      HBA    CB     .      .
 PL1      NK     C31    C30    .
 PL1      HNK    NK     .      .
 PL1      C30    NK     C13    .
 PL1      O30    C30    .      .
 PL1      C13    C30    NH     .
 PL1      H13    C13    .      .
 PL1      C14    C13    C27    .
 PL1      H14    C14    .      .
 PL1      OH1    C14    HO1    .
 PL1      HO1    OH1    .      .
 PL1      C27    C14    NJ     .
 PL1      NJ     C27    C29    .
 PL1      C29    NJ     NI     .
 PL1      H29    C29    .      .
 PL1      NI     C29    C28    .
 PL1      HNI    NI     .      .
 PL1      C28    NI     H28    .
 PL1      H28    C28    .      .
 PL1      NH     C13    C12    .
 PL1      HNH    NH     .      .
 PL1      C12    NH     C10    .
 PL1      O12    C12    .      .
 PL1      C10    C12    NG     .
 PL1      NG     C10    C7     .
 PL1      CO     NG     O1P    .
 PL1      O1P    CO     O2P    .
 PL1      O2P    O1P    H2P    .
 PL1      H2P    O2P    .      .
 PL1      C7     NG     C6     .
 PL1      NE     C7     C8     .
 PL1      C8     NE     C9     .
 PL1      NF     C8     HF1    .
 PL1      HF2    NF     .      .
 PL1      HF1    NF     .      .
 PL1      C9     C8     CA     .
 PL1      CA     C9     HAA    .
 PL1      HAC    CA     .      .
 PL1      HAB    CA     .      .
 PL1      HAA    CA     .      .
 PL1      C6     C7     NC     .
 PL1      H6     C6     .      .
 PL1      C5     C6     C4     .
 PL1      H5E    C5     .      .
 PL1      H5X    C5     .      .
 PL1      C4     C5     ND     .
 PL1      O4     C4     .      .
 PL1      ND     C4     HD1    .
 PL1      HD2    ND     .      .
 PL1      HD1    ND     .      .
 PL1      NC     C6     C3     .
 PL1      HNC    NC     .      .
 PL1      C3     NC     C2     .
 PL1      H3E    C3     .      .
 PL1      H3X    C3     .      .
 PL1      C2     C3     C1     .
 PL1      H2     C2     .      .
 PL1      NB     C2     HB1    .
 PL1      HB2    NB     .      .
 PL1      HB1    NB     .      .
 PL1      C1     C2     NA     .
 PL1      O1     C1     .      .
 PL1      NA     C1     HA1    .
 PL1      HA2    NA     .      .
 PL1      HA1    NA     .      END
 PL1      C10    C9     .    ADD
 PL1      C27    C28    .    ADD
 PL1      C44    C45    .    ADD
 PL1      C47    C48    .    ADD
 PL1      C56    C57    .    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
 PL1      C1     C2        single      1.500    0.020
 PL1      NA     C1        single      1.332    0.020
 PL1      O1     C1        double      1.220    0.020
 PL1      C10    C12       single      1.500    0.020
 PL1      C10    C9        single      1.487    0.020
 PL1      NG     C10       double      1.337    0.020
 PL1      C12    NH        single      1.330    0.020
 PL1      O12    C12       double      1.220    0.020
 PL1      C14    C13       single      1.524    0.020
 PL1      C13    C30       single      1.500    0.020
 PL1      NH     C13       single      1.450    0.020
 PL1      H13    C13       single      1.099    0.020
 PL1      C27    C14       single      1.480    0.020
 PL1      OH1    C14       single      1.432    0.020
 PL1      H14    C14       single      1.099    0.020
 PL1      C2     C3        single      1.524    0.020
 PL1      NB     C2        single      1.450    0.020
 PL1      H2     C2        single      1.099    0.020
 PL1      C27    C28       double      1.387    0.020
 PL1      NJ     C27       single      1.350    0.020
 PL1      C28    NI        single      1.350    0.020
 PL1      H28    C28       single      1.083    0.020
 PL1      NI     C29       single      1.350    0.020
 PL1      C29    NJ        double      1.350    0.020
 PL1      H29    C29       single      1.083    0.020
 PL1      C3     NC        single      1.450    0.020
 PL1      H3E    C3        single      1.092    0.020
 PL1      H3X    C3        single      1.092    0.020
 PL1      C30    NK        single      1.330    0.020
 PL1      O30    C30       double      1.220    0.020
 PL1      C31    C33       single      1.524    0.020
 PL1      CB     C31       single      1.524    0.020
 PL1      NK     C31       single      1.450    0.020
 PL1      H31    C31       single      1.099    0.020
 PL1      C33    C34       single      1.524    0.020
 PL1      OH2    C33       single      1.432    0.020
 PL1      H33    C33       single      1.099    0.020
 PL1      C34    C36       single      1.500    0.020
 PL1      CC     C34       single      1.524    0.020
 PL1      H34    C34       single      1.099    0.020
 PL1      C36    NL        single      1.330    0.020
 PL1      O36    C36       double      1.220    0.020
 PL1      C38    C37       single      1.524    0.020
 PL1      C37    C40       single      1.500    0.020
 PL1      NL     C37       single      1.450    0.020
 PL1      H37    C37       single      1.099    0.020
 PL1      CD     C38       single      1.524    0.020
 PL1      OH3    C38       single      1.432    0.020
 PL1      H38    C38       single      1.099    0.020
 PL1      C4     C5        single      1.510    0.020
 PL1      ND     C4        single      1.332    0.020
 PL1      O4     C4        double      1.220    0.020
 PL1      C40    NM        single      1.330    0.020
 PL1      O40    C40       double      1.220    0.020
 PL1      C41    C42       single      1.524    0.020
 PL1      NM     C41       single      1.450    0.020
 PL1      H1E    C41       single      1.092    0.020
 PL1      H1X    C41       single      1.092    0.020
 PL1      C42    C43       single      1.510    0.020
 PL1      H2E    C42       single      1.092    0.020
 PL1      H2X    C42       single      1.092    0.020
 PL1      C43    NN        double      1.350    0.020
 PL1      S43    C43       single      1.745    0.020
 PL1      C44    C45       double      1.387    0.020
 PL1      C44    S43       single      1.745    0.020
 PL1      H44    C44       single      1.083    0.020
 PL1      C45    C46       single      1.490    0.020
 PL1      NN     C45       single      1.350    0.020
 PL1      C46    NO        double      1.350    0.020
 PL1      S46    C46       single      1.745    0.020
 PL1      C47    C48       double      1.387    0.020
 PL1      C47    S46       single      1.745    0.020
 PL1      H47    C47       single      1.083    0.020
 PL1      C48    C49       single      1.490    0.020
 PL1      NO     C48       single      1.350    0.020
 PL1      NP     C49       single      1.330    0.020
 PL1      C49    O49       double      1.220    0.020
 PL1      C5     C6        single      1.524    0.020
 PL1      H5E    C5        single      1.092    0.020
 PL1      H5X    C5        single      1.092    0.020
 PL1      C52    C51       single      1.524    0.020
 PL1      C51    NP        single      1.450    0.020
 PL1      H6E    C51       single      1.092    0.020
 PL1      H6X    C51       single      1.092    0.020
 PL1      C53    C52       single      1.524    0.020
 PL1      H7E    C52       single      1.092    0.020
 PL1      H7X    C52       single      1.092    0.020
 PL1      NQ     C53       single      1.450    0.020
 PL1      H8E    C53       single      1.092    0.020
 PL1      H8X    C53       single      1.092    0.020
 PL1      C56    C54       single      1.480    0.020
 PL1      CE     C54       single      1.524    0.020
 PL1      C54    NQ        single      1.450    0.020
 PL1      H54    C54       single      1.099    0.020
 PL1      C56    C57       double      1.390    0.020
 PL1      C61    C56       single      1.390    0.020
 PL1      C57    C58       single      1.390    0.020
 PL1      H57    C57       single      1.083    0.020
 PL1      C58    C59       double      1.390    0.020
 PL1      H58    C58       single      1.083    0.020
 PL1      C59    C60       single      1.390    0.020
 PL1      H59    C59       single      1.083    0.020
 PL1      C6     C7        single      1.480    0.020
 PL1      NC     C6        single      1.450    0.020
 PL1      H6     C6        single      1.099    0.020
 PL1      C60    C61       double      1.390    0.020
 PL1      H60    C60       single      1.083    0.020
 PL1      H61    C61       single      1.083    0.020
 PL1      NE     C7        double      1.350    0.020
 PL1      C7     NG        single      1.410    0.020
 PL1      C9     C8        double      1.487    0.020
 PL1      C8     NE        single      1.350    0.020
 PL1      NF     C8        single      1.355    0.020
 PL1      CA     C9        single      1.506    0.020
 PL1      HAA    CA        single      1.059    0.020
 PL1      HAB    CA        single      1.059    0.020
 PL1      HAC    CA        single      1.059    0.020
 PL1      HBA    CB        single      1.059    0.020
 PL1      HBB    CB        single      1.059    0.020
 PL1      HBC    CB        single      1.059    0.020
 PL1      HCA    CC        single      1.059    0.020
 PL1      HCB    CC        single      1.059    0.020
 PL1      HCC    CC        single      1.059    0.020
 PL1      HDA    CD        single      1.059    0.020
 PL1      HDB    CD        single      1.059    0.020
 PL1      HDC    CD        single      1.059    0.020
 PL1      HEA    CE        single      1.059    0.020
 PL1      HEB    CE        single      1.059    0.020
 PL1      HEC    CE        single      1.059    0.020
 PL1      HA1    NA        single      1.010    0.020
 PL1      HA2    NA        single      1.010    0.020
 PL1      HB1    NB        single      1.010    0.020
 PL1      HB2    NB        single      1.010    0.020
 PL1      HNC    NC        single      1.010    0.020
 PL1      HD1    ND        single      1.010    0.020
 PL1      HD2    ND        single      1.010    0.020
 PL1      HF1    NF        single      1.010    0.020
 PL1      HF2    NF        single      1.010    0.020
 PL1      CO     NG        single      1.890    0.020
 PL1      HNH    NH        single      1.010    0.020
 PL1      HNI    NI        single      1.040    0.020
 PL1      HNK    NK        single      1.010    0.020
 PL1      HNL    NL        single      1.010    0.020
 PL1      HNM    NM        single      1.010    0.020
 PL1      HNP    NP        single      1.010    0.020
 PL1      HNQ    NQ        single      1.010    0.020
 PL1      O2P    O1P       single      1.369    0.020
 PL1      O1P    CO        single      1.825    0.020
 PL1      H2P    O2P       single      0.967    0.020
 PL1      HO1    OH1       single      0.967    0.020
 PL1      HO2    OH2       single      0.967    0.020
 PL1      HO3    OH3       single      0.967    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
 PL1      O49    C49    NP      123.000    3.000
 PL1      O49    C49    C48     120.500    3.000
 PL1      NP     C49    C48     120.000    3.000
 PL1      C49    NP     HNP     120.000    3.000
 PL1      C49    NP     C51     121.500    3.000
 PL1      HNP    NP     C51     118.500    3.000
 PL1      NP     C51    H6E     109.470    3.000
 PL1      NP     C51    H6X     109.470    3.000
 PL1      NP     C51    C52     112.000    3.000
 PL1      H6E    C51    H6X     107.900    3.000
 PL1      H6E    C51    C52     109.470    3.000
 PL1      H6X    C51    C52     109.470    3.000
 PL1      C51    C52    H7E     109.470    3.000
 PL1      C51    C52    H7X     109.470    3.000
 PL1      C51    C52    C53     111.000    3.000
 PL1      H7E    C52    H7X     107.900    3.000
 PL1      H7E    C52    C53     109.470    3.000
 PL1      H7X    C52    C53     109.470    3.000
 PL1      C52    C53    H8E     109.470    3.000
 PL1      C52    C53    H8X     109.470    3.000
 PL1      C52    C53    NQ      112.000    3.000
 PL1      H8E    C53    H8X     107.900    3.000
 PL1      H8E    C53    NQ      109.470    3.000
 PL1      H8X    C53    NQ      109.470    3.000
 PL1      C53    NQ     HNQ     118.500    3.000
 PL1      C53    NQ     C54     120.000    3.000
 PL1      HNQ    NQ     C54     118.500    3.000
 PL1      NQ     C54    H54     108.550    3.000
 PL1      NQ     C54    CE      110.000    3.000
 PL1      NQ     C54    C56     109.470    3.000
 PL1      H54    C54    CE      108.340    3.000
 PL1      H54    C54    C56     109.470    3.000
 PL1      CE     C54    C56     109.470    3.000
 PL1      C54    CE     HEC     109.470    3.000
 PL1      C54    CE     HEB     109.470    3.000
 PL1      C54    CE     HEA     109.470    3.000
 PL1      HEC    CE     HEB     109.470    3.000
 PL1      HEC    CE     HEA     109.470    3.000
 PL1      HEB    CE     HEA     109.470    3.000
 PL1      C54    C56    C61     120.000    3.000
 PL1      C54    C56    C57     120.000    3.000
 PL1      C61    C56    C57     120.000    3.000
 PL1      C56    C61    H61     120.000    3.000
 PL1      C56    C61    C60     120.000    3.000
 PL1      H61    C61    C60     120.000    3.000
 PL1      C61    C60    H60     120.000    3.000
 PL1      C61    C60    C59     120.000    3.000
 PL1      H60    C60    C59     120.000    3.000
 PL1      C60    C59    H59     120.000    3.000
 PL1      C60    C59    C58     120.000    3.000
 PL1      H59    C59    C58     120.000    3.000
 PL1      C59    C58    H58     120.000    3.000
 PL1      C59    C58    C57     120.000    3.000
 PL1      H58    C58    C57     120.000    3.000
 PL1      C58    C57    H57     120.000    3.000
 PL1      C58    C57    C56     120.000    3.000
 PL1      H57    C57    C56     120.000    3.000
 PL1      C49    C48    NO      126.000    3.000
 PL1      C49    C48    C47     126.000    3.000
 PL1      NO     C48    C47     108.000    3.000
 PL1      C48    NO     C46     108.000    3.000
 PL1      NO     C46    S46     108.000    3.000
 PL1      NO     C46    C45     108.000    3.000
 PL1      S46    C46    C45     108.000    3.000
 PL1      C46    S46    C47      97.731    3.000
 PL1      S46    C47    H47     108.000    3.000
 PL1      S46    C47    C48     108.000    3.000
 PL1      H47    C47    C48     126.000    3.000
 PL1      C46    C45    NN      108.000    3.000
 PL1      C46    C45    C44     108.000    3.000
 PL1      NN     C45    C44     108.000    3.000
 PL1      C45    NN     C43     108.000    3.000
 PL1      NN     C43    S43     108.000    3.000
 PL1      NN     C43    C42     126.000    3.000
 PL1      S43    C43    C42     108.000    3.000
 PL1      C43    S43    C44      97.602    3.000
 PL1      S43    C44    H44     108.000    3.000
 PL1      S43    C44    C45     108.000    3.000
 PL1      H44    C44    C45     126.000    3.000
 PL1      C43    C42    H2E     109.470    3.000
 PL1      C43    C42    H2X     109.470    3.000
 PL1      C43    C42    C41     109.470    3.000
 PL1      H2E    C42    H2X     107.900    3.000
 PL1      H2E    C42    C41     109.470    3.000
 PL1      H2X    C42    C41     109.470    3.000
 PL1      C42    C41    H1E     109.470    3.000
 PL1      C42    C41    H1X     109.470    3.000
 PL1      C42    C41    NM      112.000    3.000
 PL1      H1E    C41    H1X     107.900    3.000
 PL1      H1E    C41    NM      109.470    3.000
 PL1      H1X    C41    NM      109.470    3.000
 PL1      C41    NM     HNM     118.500    3.000
 PL1      C41    NM     C40     121.500    3.000
 PL1      HNM    NM     C40     120.000    3.000
 PL1      NM     C40    O40     123.000    3.000
 PL1      NM     C40    C37     116.500    3.000
 PL1      O40    C40    C37     120.500    3.000
 PL1      C40    C37    H37     108.810    3.000
 PL1      C40    C37    C38     109.470    3.000
 PL1      C40    C37    NL      111.600    3.000
 PL1      H37    C37    C38     108.340    3.000
 PL1      H37    C37    NL      108.550    3.000
 PL1      C38    C37    NL      110.000    3.000
 PL1      C37    C38    H38     108.340    3.000
 PL1      C37    C38    OH3     109.470    3.000
 PL1      C37    C38    CD      111.000    3.000
 PL1      H38    C38    OH3     109.470    3.000
 PL1      H38    C38    CD      108.340    3.000
 PL1      OH3    C38    CD      109.470    3.000
 PL1      C38    OH3    HO3     109.470    3.000
 PL1      C38    CD     HDC     109.470    3.000
 PL1      C38    CD     HDB     109.470    3.000
 PL1      C38    CD     HDA     109.470    3.000
 PL1      HDC    CD     HDB     109.470    3.000
 PL1      HDC    CD     HDA     109.470    3.000
 PL1      HDB    CD     HDA     109.470    3.000
 PL1      C37    NL     HNL     118.500    3.000
 PL1      C37    NL     C36     121.500    3.000
 PL1      HNL    NL     C36     120.000    3.000
 PL1      NL     C36    O36     123.000    3.000
 PL1      NL     C36    C34     116.500    3.000
 PL1      O36    C36    C34     120.500    3.000
 PL1      C36    C34    H34     108.810    3.000
 PL1      C36    C34    CC      109.470    3.000
 PL1      C36    C34    C33     109.470    3.000
 PL1      H34    C34    CC      108.340    3.000
 PL1      H34    C34    C33     108.340    3.000
 PL1      CC     C34    C33     111.000    3.000
 PL1      C34    CC     HCC     109.470    3.000
 PL1      C34    CC     HCB     109.470    3.000
 PL1      C34    CC     HCA     109.470    3.000
 PL1      HCC    CC     HCB     109.470    3.000
 PL1      HCC    CC     HCA     109.470    3.000
 PL1      HCB    CC     HCA     109.470    3.000
 PL1      C34    C33    H33     108.340    3.000
 PL1      C34    C33    OH2     109.470    3.000
 PL1      C34    C33    C31     111.000    3.000
 PL1      H33    C33    OH2     109.470    3.000
 PL1      H33    C33    C31     108.340    3.000
 PL1      OH2    C33    C31     109.470    3.000
 PL1      C33    OH2    HO2     109.470    3.000
 PL1      C33    C31    H31     108.340    3.000
 PL1      C33    C31    CB      111.000    3.000
 PL1      C33    C31    NK      110.000    3.000
 PL1      H31    C31    CB      108.340    3.000
 PL1      H31    C31    NK      108.550    3.000
 PL1      CB     C31    NK      110.000    3.000
 PL1      C31    CB     HBC     109.470    3.000
 PL1      C31    CB     HBB     109.470    3.000
 PL1      C31    CB     HBA     109.470    3.000
 PL1      HBC    CB     HBB     109.470    3.000
 PL1      HBC    CB     HBA     109.470    3.000
 PL1      HBB    CB     HBA     109.470    3.000
 PL1      C31    NK     HNK     118.500    3.000
 PL1      C31    NK     C30     121.500    3.000
 PL1      HNK    NK     C30     120.000    3.000
 PL1      NK     C30    O30     123.000    3.000
 PL1      NK     C30    C13     116.500    3.000
 PL1      O30    C30    C13     120.500    3.000
 PL1      C30    C13    H13     108.810    3.000
 PL1      C30    C13    C14     109.470    3.000
 PL1      C30    C13    NH      111.600    3.000
 PL1      H13    C13    C14     108.340    3.000
 PL1      H13    C13    NH      108.550    3.000
 PL1      C14    C13    NH      110.000    3.000
 PL1      C13    C14    H14     108.340    3.000
 PL1      C13    C14    OH1     109.470    3.000
 PL1      C13    C14    C27     109.470    3.000
 PL1      H14    C14    OH1     109.470    3.000
 PL1      H14    C14    C27     109.470    3.000
 PL1      OH1    C14    C27     109.500    3.000
 PL1      C14    OH1    HO1     109.470    3.000
 PL1      C14    C27    NJ      126.000    3.000
 PL1      C14    C27    C28     108.000    3.000
 PL1      NJ     C27    C28     108.000    3.000
 PL1      C27    NJ     C29     108.000    3.000
 PL1      NJ     C29    H29     126.000    3.000
 PL1      NJ     C29    NI      108.000    3.000
 PL1      H29    C29    NI      126.000    3.000
 PL1      C29    NI     HNI     126.000    3.000
 PL1      C29    NI     C28     108.000    3.000
 PL1      HNI    NI     C28     126.000    3.000
 PL1      NI     C28    H28     126.000    3.000
 PL1      NI     C28    C27     108.000    3.000
 PL1      H28    C28    C27     126.000    3.000
 PL1      C13    NH     HNH     118.500    3.000
 PL1      C13    NH     C12     121.500    3.000
 PL1      HNH    NH     C12     120.000    3.000
 PL1      NH     C12    O12     123.000    3.000
 PL1      NH     C12    C10     120.000    3.000
 PL1      O12    C12    C10     120.500    3.000
 PL1      C12    C10    NG      120.000    3.000
 PL1      C12    C10    C9      120.000    3.000
 PL1      NG     C10    C9      120.000    3.000
 PL1      C10    NG     CO      120.000    3.000
 PL1      C10    NG     C7      120.000    3.000
 PL1      CO     NG     C7      120.000    3.000
 PL1      NG     CO     O1P     180.000    3.000
 PL1      CO     O1P    O2P     120.000    3.000
 PL1      O1P    O2P    H2P     120.000    3.000
 PL1      NG     C7     NE      120.000    3.000
 PL1      NG     C7     C6      120.000    3.000
 PL1      NE     C7     C6      120.000    3.000
 PL1      C7     NE     C8      120.000    3.000
 PL1      NE     C8     NF      120.000    3.000
 PL1      NE     C8     C9      120.000    3.000
 PL1      NF     C8     C9      120.000    3.000
 PL1      C8     NF     HF2     120.000    3.000
 PL1      C8     NF     HF1     120.000    3.000
 PL1      HF2    NF     HF1     120.000    3.000
 PL1      C8     C9     CA      120.000    3.000
 PL1      C8     C9     C10     120.000    3.000
 PL1      CA     C9     C10     120.000    3.000
 PL1      C9     CA     HAC     109.470    3.000
 PL1      C9     CA     HAB     109.470    3.000
 PL1      C9     CA     HAA     109.470    3.000
 PL1      HAC    CA     HAB     109.470    3.000
 PL1      HAC    CA     HAA     109.470    3.000
 PL1      HAB    CA     HAA     109.470    3.000
 PL1      C7     C6     H6      109.470    3.000
 PL1      C7     C6     C5      109.470    3.000
 PL1      C7     C6     NC      109.470    3.000
 PL1      H6     C6     C5      108.340    3.000
 PL1      H6     C6     NC      108.550    3.000
 PL1      C5     C6     NC      110.000    3.000
 PL1      C6     C5     H5E     109.470    3.000
 PL1      C6     C5     H5X     109.470    3.000
 PL1      C6     C5     C4      109.470    3.000
 PL1      H5E    C5     H5X     107.900    3.000
 PL1      H5E    C5     C4      109.470    3.000
 PL1      H5X    C5     C4      109.470    3.000
 PL1      C5     C4     O4      120.500    3.000
 PL1      C5     C4     ND      116.500    3.000
 PL1      O4     C4     ND      123.000    3.000
 PL1      C4     ND     HD2     120.000    3.000
 PL1      C4     ND     HD1     120.000    3.000
 PL1      HD2    ND     HD1     120.000    3.000
 PL1      C6     NC     HNC     118.500    3.000
 PL1      C6     NC     C3      120.000    3.000
 PL1      HNC    NC     C3      118.500    3.000
 PL1      NC     C3     H3E     109.470    3.000
 PL1      NC     C3     H3X     109.470    3.000
 PL1      NC     C3     C2      110.000    3.000
 PL1      H3E    C3     H3X     107.900    3.000
 PL1      H3E    C3     C2      109.470    3.000
 PL1      H3X    C3     C2      109.470    3.000
 PL1      C3     C2     H2      108.340    3.000
 PL1      C3     C2     NB      109.470    3.000
 PL1      C3     C2     C1      109.470    3.000
 PL1      H2     C2     NB      109.470    3.000
 PL1      H2     C2     C1      108.810    3.000
 PL1      NB     C2     C1      109.470    3.000
 PL1      C2     NB     HB2     120.000    3.000
 PL1      C2     NB     HB1     120.000    3.000
 PL1      HB2    NB     HB1     120.000    3.000
 PL1      C2     C1     O1      120.500    3.000
 PL1      C2     C1     NA      120.000    3.000
 PL1      O1     C1     NA      123.000    3.000
 PL1      C1     NA     HA2     120.000    3.000
 PL1      C1     NA     HA1     120.000    3.000
 PL1      HA2    NA     HA1     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
 PL1      CONST_1  O49    C49    NP     C51        0.000    0.000   0
 PL1      var_1    C49    NP     C51    C52     -179.999   20.000   3
 PL1      var_2    NP     C51    C52    C53      179.980   20.000   3
 PL1      var_3    C51    C52    C53    NQ      -179.971   20.000   3
 PL1      var_4    C52    C53    NQ     C54     -179.975   20.000   3
 PL1      var_5    C53    NQ     C54    C56     -155.031   20.000   3
 PL1      var_6    NQ     C54    CE     HEA       59.964   20.000   3
 PL1      var_7    NQ     C54    C56    C61      -40.250   20.000   1
 PL1      CONST_2  C54    C56    C57    C58      180.000    0.000   0
 PL1      CONST_3  C54    C56    C61    C60      180.000    0.000   0
 PL1      CONST_4  C56    C61    C60    C59        0.000    0.000   0
 PL1      CONST_5  C61    C60    C59    C58        0.000    0.000   0
 PL1      CONST_6  C60    C59    C58    C57        0.000    0.000   0
 PL1      CONST_7  C59    C58    C57    C56        0.000    0.000   0
 PL1      var_8    O49    C49    C48    NO      -179.753   20.000   1
 PL1      CONST_8  C49    C48    NO     C46      180.000    0.000   0
 PL1      CONST_9  C48    NO     C46    C45      180.000    0.000   0
 PL1      CONST_10 NO     C46    S46    C47        0.000    0.000   0
 PL1      CONST_11 C46    S46    C47    C48        0.000    0.000   0
 PL1      CONST_12 S46    C47    C48    C49      180.000    0.000   0
 PL1      CONST_13 NO     C46    C45    NN       180.000    0.000   0
 PL1      CONST_14 C46    C45    NN     C43      180.000    0.000   0
 PL1      CONST_15 C45    NN     C43    C42      180.000    0.000   0
 PL1      CONST_16 NN     C43    S43    C44        0.000    0.000   0
 PL1      CONST_17 C43    S43    C44    C45        0.000    0.000   0
 PL1      CONST_18 S43    C44    C45    C46      180.000    0.000   0
 PL1      var_9    NN     C43    C42    C41       89.679   20.000   2
 PL1      var_10   C43    C42    C41    NM       179.957   20.000   3
 PL1      var_11   C42    C41    NM     C40     -179.999   20.000   3
 PL1      CONST_19 C41    NM     C40    C37      180.000    0.000   0
 PL1      var_12   NM     C40    C37    NL       159.666   20.000   3
 PL1      var_13   C40    C37    C38    CD      -177.977   20.000   3
 PL1      var_14   C37    C38    OH3    HO3       59.988   20.000   1
 PL1      var_15   C37    C38    CD     HDA     -173.294   20.000   3
 PL1      var_16   C40    C37    NL     C36     -155.010   20.000   3
 PL1      CONST_20 C37    NL     C36    C34      180.000    0.000   0
 PL1      var_17   NL     C36    C34    C33     -179.986   20.000   3
 PL1      var_18   C36    C34    CC     HCA      176.454   20.000   3
 PL1      var_19   C36    C34    C33    C31      176.288   20.000   3
 PL1      var_20   C34    C33    OH2    HO2      -59.993   20.000   1
 PL1      var_21   C34    C33    C31    NK       -60.761   20.000   3
 PL1      var_22   C33    C31    CB     HBA      -55.565   20.000   3
 PL1      var_23   C33    C31    NK     C30      154.989   20.000   3
 PL1      CONST_21 C31    NK     C30    C13      180.000    0.000   0
 PL1      var_24   NK     C30    C13    NH       156.288   20.000   3
 PL1      var_25   C30    C13    C14    C27      175.934   20.000   3
 PL1      var_26   C13    C14    OH1    HO1      -65.708   20.000   1
 PL1      var_27   C13    C14    C27    NJ       -55.284   20.000   1
 PL1      CONST_22 C14    C27    C28    NI       180.000    0.000   0
 PL1      CONST_23 C14    C27    NJ     C29      180.000    0.000   0
 PL1      CONST_24 C27    NJ     C29    NI         0.000    0.000   0
 PL1      CONST_25 NJ     C29    NI     C28        0.000    0.000   0
 PL1      CONST_26 C29    NI     C28    C27        0.000    0.000   0
 PL1      var_28   C30    C13    NH     C12     -134.059   20.000   3
 PL1      CONST_27 C13    NH     C12    C10      180.000    0.000   0
 PL1      var_29   NH     C12    C10    NG       -92.186   20.000   1
 PL1      CONST_28 C12    C10    C9     C8       180.000    0.000   0
 PL1      CONST_29 C12    C10    NG     C7       180.000    0.000   0
 PL1      var_30   C10    NG     CO     O1P      180.000   20.000   1
 PL1      var_31   O2P    O1P    CO     NG       180.000   20.000   1
 PL1      var_32   CO     O1P    O2P    H2P      176.297   20.000   1
 PL1      CONST_30 C10    NG     C7     C6       180.000    0.000   0
 PL1      CONST_31 NG     C7     NE     C8         0.000    0.000   0
 PL1      CONST_32 C7     NE     C8     C9         0.000    0.000   0
 PL1      CONST_33 NE     C8     NF     HF1      179.933    0.000   0
 PL1      CONST_34 NE     C8     C9     CA       180.000    0.000   0
 PL1      var_33   C8     C9     CA     HAA      -94.243   20.000   1
 PL1      var_34   NG     C7     C6     NC       119.252   20.000   1
 PL1      var_35   C7     C6     C5     C4        62.744   20.000   3
 PL1      var_36   C6     C5     C4     ND      -174.926   20.000   3
 PL1      CONST_35 C5     C4     ND     HD1        0.000    0.000   0
 PL1      var_37   C7     C6     NC     C3      -154.849   20.000   3
 PL1      var_38   C6     NC     C3     C2      -176.220   20.000   3
 PL1      var_39   NC     C3     C2     C1      -174.996   20.000   3
 PL1      var_40   C3     C2     NB     HB1      -60.018   20.000   1
 PL1      var_41   C3     C2     C1     NA       -80.035   20.000   3
 PL1      CONST_36 C2     C1     NA     HA1        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
 PL1      chir_01  C13    C14    C30    NH        negativ
 PL1      chir_02  C14    C13    C27    OH1       positiv
 PL1      chir_03  C2     C1     C3     NB        positiv
 PL1      chir_04  C31    C33    CB     NK        negativ
 PL1      chir_05  C33    C31    C34    OH2       positiv
 PL1      chir_06  C34    C33    C36    CC        negativ
 PL1      chir_07  C37    C38    C40    NL        negativ
 PL1      chir_08  C38    C37    CD     OH3       negativ
 PL1      chir_09  C54    C56    CE     NQ        positiv
 PL1      chir_10  C6     C5     C7     NC        negativ
 PL1      chir_11  CO     NG     O1P    .         cross0
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
 PL1      plan-1    C1        0.020
 PL1      plan-1    C2        0.020
 PL1      plan-1    NA        0.020
 PL1      plan-1    O1        0.020
 PL1      plan-1    HA2       0.020
 PL1      plan-1    HA1       0.020
 PL1      plan-2    C10       0.020
 PL1      plan-2    C12       0.020
 PL1      plan-2    C9        0.020
 PL1      plan-2    NG        0.020
 PL1      plan-2    C7        0.020
 PL1      plan-2    C8        0.020
 PL1      plan-2    NE        0.020
 PL1      plan-2    C6        0.020
 PL1      plan-2    NF        0.020
 PL1      plan-2    CA        0.020
 PL1      plan-2    CO        0.020
 PL1      plan-2    HF2       0.020
 PL1      plan-2    HF1       0.020
 PL1      plan-3    C12       0.020
 PL1      plan-3    C10       0.020
 PL1      plan-3    NH        0.020
 PL1      plan-3    O12       0.020
 PL1      plan-3    HNH       0.020
 PL1      plan-4    C27       0.020
 PL1      plan-4    C14       0.020
 PL1      plan-4    C28       0.020
 PL1      plan-4    NJ        0.020
 PL1      plan-4    C29       0.020
 PL1      plan-4    NI        0.020
 PL1      plan-4    H28       0.020
 PL1      plan-4    H29       0.020
 PL1      plan-4    HNI       0.020
 PL1      plan-5    C30       0.020
 PL1      plan-5    C13       0.020
 PL1      plan-5    NK        0.020
 PL1      plan-5    O30       0.020
 PL1      plan-5    HNK       0.020
 PL1      plan-6    C36       0.020
 PL1      plan-6    C34       0.020
 PL1      plan-6    NL        0.020
 PL1      plan-6    O36       0.020
 PL1      plan-6    HNL       0.020
 PL1      plan-7    C4        0.020
 PL1      plan-7    C5        0.020
 PL1      plan-7    ND        0.020
 PL1      plan-7    O4        0.020
 PL1      plan-7    HD2       0.020
 PL1      plan-7    HD1       0.020
 PL1      plan-8    C40       0.020
 PL1      plan-8    C37       0.020
 PL1      plan-8    NM        0.020
 PL1      plan-8    O40       0.020
 PL1      plan-8    HNM       0.020
 PL1      plan-9    C43       0.020
 PL1      plan-9    C42       0.020
 PL1      plan-9    NN        0.020
 PL1      plan-9    S43       0.020
 PL1      plan-9    C44       0.020
 PL1      plan-9    C45       0.020
 PL1      plan-9    H44       0.020
 PL1      plan-9    C46       0.020
 PL1      plan-10   C46       0.020
 PL1      plan-10   C45       0.020
 PL1      plan-10   NO        0.020
 PL1      plan-10   S46       0.020
 PL1      plan-10   C47       0.020
 PL1      plan-10   C48       0.020
 PL1      plan-10   H47       0.020
 PL1      plan-10   C49       0.020
 PL1      plan-11   C49       0.020
 PL1      plan-11   C48       0.020
 PL1      plan-11   NP        0.020
 PL1      plan-11   O49       0.020
 PL1      plan-11   HNP       0.020
 PL1      plan-12   C56       0.020
 PL1      plan-12   C54       0.020
 PL1      plan-12   C57       0.020
 PL1      plan-12   C61       0.020
 PL1      plan-12   C58       0.020
 PL1      plan-12   C59       0.020
 PL1      plan-12   C60       0.020
 PL1      plan-12   H57       0.020
 PL1      plan-12   H58       0.020
 PL1      plan-12   H59       0.020
 PL1      plan-12   H60       0.020
 PL1      plan-12   H61       0.020
 PL1      plan-13   NA        0.020
 PL1      plan-13   C1        0.020
 PL1      plan-13   HA1       0.020
 PL1      plan-13   HA2       0.020
 PL1      plan-14   NB        0.020
 PL1      plan-14   C2        0.020
 PL1      plan-14   HB1       0.020
 PL1      plan-14   HB2       0.020
 PL1      plan-15   NC        0.020
 PL1      plan-15   C3        0.020
 PL1      plan-15   C6        0.020
 PL1      plan-15   HNC       0.020
 PL1      plan-16   ND        0.020
 PL1      plan-16   C4        0.020
 PL1      plan-16   HD1       0.020
 PL1      plan-16   HD2       0.020
 PL1      plan-17   NF        0.020
 PL1      plan-17   C8        0.020
 PL1      plan-17   HF1       0.020
 PL1      plan-17   HF2       0.020
 PL1      plan-18   NH        0.020
 PL1      plan-18   C12       0.020
 PL1      plan-18   C13       0.020
 PL1      plan-18   HNH       0.020
 PL1      plan-19   NK        0.020
 PL1      plan-19   C30       0.020
 PL1      plan-19   C31       0.020
 PL1      plan-19   HNK       0.020
 PL1      plan-20   NL        0.020
 PL1      plan-20   C36       0.020
 PL1      plan-20   C37       0.020
 PL1      plan-20   HNL       0.020
 PL1      plan-21   NM        0.020
 PL1      plan-21   C40       0.020
 PL1      plan-21   C41       0.020
 PL1      plan-21   HNM       0.020
 PL1      plan-22   NP        0.020
 PL1      plan-22   C49       0.020
 PL1      plan-22   C51       0.020
 PL1      plan-22   HNP       0.020
 PL1      plan-23   NQ        0.020
 PL1      plan-23   C53       0.020
 PL1      plan-23   C54       0.020
 PL1      plan-23   HNQ       0.020
# ------------------------------------------------------