# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Sun Aug  1 01:23:43 2021
#   Inital geometry file: a 153 line input string
#   Ligand name: (2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[3-(pyridin-2-ylamino)propyl]amino]-2-azanyl-butanoic acid
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: N[C@@H](CCN(CCCNc1ccccn1)C[C@H]2O[C@H]([C@H](O)[C@@H]2O)n3cnc4c(N)ncnc34)C(O)=O
#
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
_chem_comp.initial_date
_chem_comp.modified_date
_chem_comp.source
 KXW  KXW  '(2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[3-(pyridin-2-ylamino)propyl]amino]-2-azanyl-butanoic acid'  ligand  67  36  .  2022-11-17  2022-11-17
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as OK (reasonable std)
;

data_comp_KXW
loop_
_chem_comp_atom.comp_id
_chem_comp_atom.atom_id
_chem_comp_atom.type_symbol
_chem_comp_atom.type_energy
_chem_comp_atom.charge
_chem_comp_atom.partial_charge
_chem_comp_atom.x
_chem_comp_atom.y
_chem_comp_atom.z
 KXW  C02  C  CH1   0  -0.028  -23.8125  20.1816  -14.3794
 KXW  C03  C  CH1   0  -0.025  -23.8293  21.6936  -14.5727
 KXW  C05  C  CH1   0   0.195  -22.9903  22.1474  -13.3732
 KXW  C07  C  CR56  0   0.485  -22.6448  24.5721  -12.8387
 KXW  C09  C  CR16  0   0.047  -23.5272  25.9828  -11.4074
 KXW  C11  C  CR6   0   0.460  -21.9034  26.8252  -12.8029
 KXW  C13  C  CR56  0  -0.009  -21.8037  25.5393  -13.3652
 KXW  C15  C  CR15  0   0.110  -21.3830  23.7693  -14.4358
 KXW  C17  C  CH1   0   0.006  -22.3936  19.9554  -13.8701
 KXW  C18  C  CH2   0  -0.319  -21.3944  19.6247  -14.9742
 KXW  C20  C  CH2   0  -0.289  -21.3323  17.2022  -14.7895
 KXW  C21  C  CH2   0  -0.433  -22.4223  16.1385  -14.8142
 KXW  C22  C  CH1   0  -0.213  -22.0318  14.8706  -14.0443
 KXW  C23  C  C     0   0.522  -23.2573  13.9784  -13.9011
 KXW  C27  C  CH2   0  -0.269  -21.2851  18.2354  -16.9697
 KXW  C28  C  CH2   0  -0.461  -22.0973  19.0819  -17.9400
 KXW  C29  C  CH2   0  -0.299  -21.7093  18.7807  -19.3874
 KXW  C31  C  CR6   0   0.486  -23.7237  19.3888  -20.6993
 KXW  C32  C  CR16  0  -0.399  -24.4625  18.2579  -20.2997
 KXW  C33  C  CR16  0  -0.155  -25.7704  18.1454  -20.7203
 KXW  C34  C  CR16  0  -0.366  -26.3340  19.1386  -21.5174
 KXW  C35  C  CR16  0  -0.068  -25.5274  20.2125  -21.8480
 KXW  N06  N  NR5   0  -0.542  -22.3659  23.4347  -13.5422
 KXW  N08  N  N     0  -0.456  -23.5284  24.7402  -11.8580
 KXW  N10  N  N     0  -0.475  -22.7859  27.0097  -11.8145
 KXW  N12  N  NH2   0  -0.816  -21.1532  27.8507  -13.2082
 KXW  N14  N  N     0  -0.449  -21.0201  25.0146  -14.3606
 KXW  N19  N  NT    0  -0.424  -21.7165  18.3566  -15.5896
 KXW  N26  N  NH2   0  -0.776  -20.9121  14.2163  -14.6781
 KXW  N30  N  NH1   0  -0.652  -22.4183  19.5625  -20.3686
 KXW  N36  N  N     0  -0.468  -24.2659  20.3459  -21.4583
 KXW  O01  O  OH1   0  -0.671  -24.7144  19.7810  -13.3768
 KXW  O04  O  OH1   0  -0.657  -25.1268  22.2038  -14.5833
 KXW  O16  O  O2    0  -0.497  -21.9971  21.1730  -13.2232
 KXW  O24  O  OH1   0  -0.593  -24.1256  14.4587  -13.0178
 KXW  O25  O  O     0  -0.442  -23.4390  12.9596  -14.5202
 KXW  H1   H  HCH1  0   0.256  -23.9876  19.6417  -15.3160
 KXW  H2   H  HCH1  0   0.237  -23.2962  21.9361  -15.5021
 KXW  H3   H  HCH1  0   0.258  -23.6262  22.2295  -12.4846
 KXW  H4   H  HCR6  0   0.253  -24.2209  26.1991  -10.6016
 KXW  H5   H  HCR5  0   0.296  -20.9578  23.0453  -15.1149
 KXW  H6   H  HCH1  0   0.252  -22.3977  19.1572  -13.1211
 KXW  H7   H  HCH2  0   0.234  -20.3751  19.6496  -14.5584
 KXW  H8   H  HCH2  0   0.230  -21.4294  20.4106  -15.7335
 KXW  H9   H  HCH2  0   0.227  -20.3763  16.7809  -15.1246
 KXW  H10  H  HCH2  0   0.234  -21.1748  17.5121  -13.7534
 KXW  H11  H  HCH2  0   0.244  -23.3308  16.5731  -14.3920
 KXW  H12  H  HCH2  0   0.233  -22.6595  15.8664  -15.8486
 KXW  H13  H  HCH1  0   0.267  -21.7282  15.1658  -13.0341
 KXW  H14  H  HCH2  0   0.230  -21.4022  17.1868  -17.2583
 KXW  H15  H  HCH2  0   0.202  -20.2119  18.4616  -17.0861
 KXW  H16  H  HCH2  0   0.228  -21.9451  20.1495  -17.7589
 KXW  H17  H  HCH2  0   0.232  -23.1600  18.8797  -17.7821
 KXW  H18  H  HCH2  0   0.235  -21.8482  17.7163  -19.5979
 KXW  H19  H  HCH2  0   0.260  -20.6454  18.9757  -19.5299
 KXW  H20  H  HCR6  0   0.266  -24.0210  17.4899  -19.6802
 KXW  H21  H  HCR6  0   0.265  -26.3537  17.2829  -20.4231
 KXW  H22  H  HCR6  0   0.256  -27.3562  19.0827  -21.8631
 KXW  H23  H  HCR6  0   0.254  -25.9184  21.0170  -22.4627
 KXW  H24  H  HNH2  0   0.404  -21.2941  28.7655  -12.8158
 KXW  H25  H  HNH2  0   0.411  -20.5317  27.7605  -13.9924
 KXW  H27  H  HNH2  0   0.354  -20.6251  13.4075  -14.1420
 KXW  H28  H  HNH2  0   0.343  -21.1815  13.8705  -15.5911
 KXW  H30  H  HNH1  0   0.378  -22.0403  20.4682  -20.5955
 KXW  H31  H  HOH1  0   0.454  -25.6057  20.0181  -13.6544
 KXW  H32  H  HOH1  0   0.467  -25.1224  23.0770  -14.9862
 KXW  H33  H  HOH1  0   0.481  -24.9067  13.8870  -12.9720

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
_chem_comp_bond.value_dist_neutron
 KXW  C34  C35  aromatic  1.383  0.020  1.383
 KXW  C34  C33  aromatic  1.393  0.020  1.393
 KXW  C35  N36  aromatic  1.327  0.020  1.327
 KXW  C33  C32  aromatic  1.378  0.020  1.378
 KXW  N36  C31  aromatic  1.336  0.020  1.336
 KXW  C32  C31  aromatic  1.409  0.020  1.409
 KXW  C31  N30  single    1.358  0.020  1.358
 KXW  N30  C29  single    1.441  0.020  1.441
 KXW  C29  C28  single    1.528  0.020  1.528
 KXW  C28  C27  single    1.522  0.020  1.522
 KXW  C27  N19  single    1.451  0.020  1.451
 KXW  N19  C18  single    1.446  0.020  1.446
 KXW  N19  C20  single    1.456  0.020  1.456
 KXW  C18  C17  single    1.525  0.020  1.525
 KXW  C21  C20  single    1.523  0.020  1.523
 KXW  C21  C22  single    1.534  0.020  1.534
 KXW  C15  N14  aromatic  1.299  0.020  1.299
 KXW  C15  N06  aromatic  1.370  0.020  1.370
 KXW  C17  C02  single    1.524  0.020  1.524
 KXW  C17  O16  single    1.435  0.020  1.435
 KXW  N14  C13  aromatic  1.371  0.020  1.371
 KXW  C02  C03  single    1.524  0.020  1.524
 KXW  C02  O01  single    1.407  0.020  1.407
 KXW  O25  C23  double    1.206  0.020  1.206
 KXW  N26  C22  single    1.443  0.020  1.443
 KXW  C22  C23  single    1.523  0.020  1.523
 KXW  C23  O24  single    1.328  0.020  1.328
 KXW  O16  C05  single    1.399  0.020  1.399
 KXW  C03  C05  single    1.533  0.020  1.533
 KXW  C03  O04  single    1.394  0.020  1.394
 KXW  N06  C05  single    1.441  0.020  1.441
 KXW  N06  C07  aromatic  1.366  0.020  1.366
 KXW  C13  C07  aromatic  1.386  0.020  1.386
 KXW  C13  C11  aromatic  1.407  0.020  1.407
 KXW  N12  C11  single    1.334  0.020  1.334
 KXW  C07  N08  aromatic  1.331  0.020  1.331
 KXW  C11  N10  aromatic  1.338  0.020  1.338
 KXW  N08  C09  aromatic  1.322  0.020  1.322
 KXW  N10  C09  aromatic  1.330  0.020  1.330
 KXW  C02  H1   single    0.970  0.020  1.090
 KXW  C03  H2   single    0.970  0.020  1.090
 KXW  C05  H3   single    0.970  0.020  1.090
 KXW  C09  H4   single    0.930  0.020  1.080
 KXW  C15  H5   single    0.930  0.020  1.080
 KXW  C17  H6   single    0.970  0.020  1.090
 KXW  C18  H7   single    0.970  0.020  1.090
 KXW  C18  H8   single    0.970  0.020  1.090
 KXW  C20  H9   single    0.970  0.020  1.090
 KXW  C20  H10  single    0.970  0.020  1.090
 KXW  C21  H11  single    0.970  0.020  1.090
 KXW  C21  H12  single    0.970  0.020  1.090
 KXW  C22  H13  single    0.970  0.020  1.090
 KXW  C27  H14  single    0.970  0.020  1.090
 KXW  C27  H15  single    0.970  0.020  1.090
 KXW  C28  H16  single    0.970  0.020  1.090
 KXW  C28  H17  single    0.970  0.020  1.090
 KXW  C29  H18  single    0.970  0.020  1.090
 KXW  C29  H19  single    0.970  0.020  1.090
 KXW  C32  H20  single    0.930  0.020  1.080
 KXW  C33  H21  single    0.930  0.020  1.080
 KXW  C34  H22  single    0.930  0.020  1.080
 KXW  C35  H23  single    0.930  0.020  1.080
 KXW  N12  H24  single    0.860  0.020  1.020
 KXW  N12  H25  single    0.860  0.020  1.020
 KXW  N26  H27  single    0.890  0.020  1.040
 KXW  N26  H28  single    0.890  0.020  1.040
 KXW  N30  H30  single    0.890  0.020  1.040
 KXW  O01  H31  single    0.850  0.020  0.980
 KXW  O04  H32  single    0.850  0.020  0.980
 KXW  O24  H33  single    0.850  0.020  0.980

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
 KXW  H1   C02  O01  111.51  3.000
 KXW  H1   C02  C17  111.19  3.000
 KXW  O01  C02  C17  108.44  3.000
 KXW  H1   C02  C03  112.26  3.000
 KXW  O01  C02  C03  111.45  3.000
 KXW  C17  C02  C03  101.53  3.000
 KXW  H2   C03  O04  111.36  3.000
 KXW  H2   C03  C05  109.34  3.000
 KXW  O04  C03  C05  114.02  3.000
 KXW  H2   C03  C02  108.72  3.000
 KXW  O04  C03  C02  111.98  3.000
 KXW  C05  C03  C02  100.86  3.000
 KXW  H3   C05  O16  112.16  3.000
 KXW  H3   C05  N06  106.24  3.000
 KXW  O16  C05  N06  109.10  3.000
 KXW  H3   C05  C03  109.82  3.000
 KXW  N06  C05  C03  114.21  3.000
 KXW  O16  C05  C03  105.44  3.000
 KXW  N08  C07  N06  128.34  3.000
 KXW  N08  C07  C13  126.50  3.000
 KXW  N06  C07  C13  105.16  3.000
 KXW  H4   C09  N10  115.45  3.000
 KXW  H4   C09  N08  116.11  3.000
 KXW  N10  C09  N08  128.45  3.000
 KXW  N12  C11  N10  119.31  3.000
 KXW  N10  C11  C13  117.90  3.000
 KXW  N12  C11  C13  122.78  3.000
 KXW  N14  C13  C11  132.87  3.000
 KXW  C11  C13  C07  116.30  3.000
 KXW  N14  C13  C07  110.83  3.000
 KXW  H5   C15  N14  124.68  3.000
 KXW  H5   C15  N06  121.93  3.000
 KXW  N14  C15  N06  113.38  3.000
 KXW  H6   C17  O16  108.14  3.000
 KXW  H6   C17  C18  109.86  3.000
 KXW  O16  C17  C18  109.23  3.000
 KXW  H6   C17  C02  109.47  3.000
 KXW  O16  C17  C02  106.38  3.000
 KXW  C18  C17  C02  113.58  3.000
 KXW  H8   C18  H7   105.99  3.000
 KXW  H8   C18  N19  109.13  3.000
 KXW  H7   C18  N19  112.76  3.000
 KXW  H8   C18  C17  109.02  3.000
 KXW  H7   C18  C17  109.16  3.000
 KXW  N19  C18  C17  110.63  3.000
 KXW  H10  C20  H9   105.84  3.000
 KXW  H10  C20  N19  109.52  3.000
 KXW  H9   C20  N19  111.50  3.000
 KXW  H10  C20  C21  108.45  3.000
 KXW  H9   C20  C21  110.51  3.000
 KXW  N19  C20  C21  110.85  3.000
 KXW  H12  C21  H11  106.48  3.000
 KXW  H12  C21  C22  108.89  3.000
 KXW  H11  C21  C22  110.29  3.000
 KXW  H12  C21  C20  110.10  3.000
 KXW  H11  C21  C20  108.13  3.000
 KXW  C22  C21  C20  112.76  3.000
 KXW  H13  C22  N26  108.19  3.000
 KXW  H13  C22  C23  107.11  3.000
 KXW  N26  C22  C23  113.58  3.000
 KXW  H13  C22  C21  108.10  3.000
 KXW  C23  C22  C21  109.07  3.000
 KXW  N26  C22  C21  110.60  3.000
 KXW  O25  C23  O24  123.25  3.000
 KXW  O24  C23  C22  112.14  3.000
 KXW  O25  C23  C22  124.61  3.000
 KXW  H15  C27  H14  105.83  3.000
 KXW  H15  C27  N19  111.87  3.000
 KXW  H14  C27  N19  107.41  3.000
 KXW  H15  C27  C28  109.75  3.000
 KXW  H14  C27  C28  107.92  3.000
 KXW  N19  C27  C28  113.65  3.000
 KXW  H17  C28  H16  106.97  3.000
 KXW  H17  C28  C29  110.31  3.000
 KXW  H16  C28  C29  108.30  3.000
 KXW  H17  C28  C27  108.89  3.000
 KXW  H16  C28  C27  111.29  3.000
 KXW  C29  C28  C27  111.01  3.000
 KXW  H19  C29  H18  105.82  3.000
 KXW  H19  C29  N30  107.09  3.000
 KXW  H18  C29  N30  109.53  3.000
 KXW  H19  C29  C28  109.63  3.000
 KXW  H18  C29  C28  109.99  3.000
 KXW  N30  C29  C28  114.39  3.000
 KXW  N36  C31  N30  115.89  3.000
 KXW  N30  C31  C32  122.54  3.000
 KXW  N36  C31  C32  121.55  3.000
 KXW  H20  C32  C33  120.29  3.000
 KXW  H20  C32  C31  121.25  3.000
 KXW  C33  C32  C31  118.46  3.000
 KXW  H21  C33  C34  120.48  3.000
 KXW  H21  C33  C32  119.50  3.000
 KXW  C34  C33  C32  120.02  3.000
 KXW  H22  C34  C35  121.03  3.000
 KXW  H22  C34  C33  121.94  3.000
 KXW  C35  C34  C33  117.03  3.000
 KXW  H23  C35  N36  115.74  3.000
 KXW  H23  C35  C34  120.05  3.000
 KXW  N36  C35  C34  124.21  3.000
 KXW  C15  N06  C07  106.20  3.000
 KXW  C07  N06  C05  126.51  3.000
 KXW  C15  N06  C05  127.28  3.000
 KXW  C09  N08  C07  111.68  3.000
 KXW  C11  N10  C09  119.16  3.000
 KXW  H25  N12  H24  118.23  3.000
 KXW  H25  N12  C11  121.08  3.000
 KXW  H24  N12  C11  120.15  3.000
 KXW  C15  N14  C13  104.42  3.000
 KXW  C27  N19  C20  112.20  3.000
 KXW  C20  N19  C18  113.74  3.000
 KXW  C27  N19  C18  114.32  3.000
 KXW  H28  N26  H27  106.26  3.000
 KXW  H28  N26  C22  110.14  3.000
 KXW  H27  N26  C22  110.47  3.000
 KXW  H30  N30  C31  114.90  3.000
 KXW  H30  N30  C29  117.16  3.000
 KXW  C31  N30  C29  124.71  3.000
 KXW  C35  N36  C31  118.72  3.000
 KXW  H31  O01  C02  108.53  3.000
 KXW  H32  O04  C03  109.35  3.000
 KXW  C17  O16  C05  110.27  3.000
 KXW  H33  O24  C23  110.19  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
 KXW  CONST_01  N14  C15  N06  C07     0.00   0.0  0
 KXW  CONST_02  C15  N14  C13  C07     0.00   0.0  0
 KXW  CONST_03  N10  C11  C13  C07     0.00   0.0  0
 KXW  CONST_04  N10  C09  N08  C07     0.00   0.0  0
 KXW  CONST_05  N06  C07  N08  C09   180.00   0.0  0
 KXW  CONST_06  C13  C07  N08  C09     0.00   0.0  0
 KXW  CONST_07  C13  C11  N10  C09     0.00   0.0  0
 KXW  CONST_08  C15  N14  C13  C11   180.00   0.0  0
 KXW  CONST_09  N06  C07  C13  C11   180.00   0.0  0
 KXW  CONST_10  N08  C07  C13  C11     0.00   0.0  0
 KXW  CONST_11  N08  C09  N10  C11     0.00   0.0  0
 KXW  CONST_12  N06  C15  N14  C13     0.00   0.0  0
 KXW  CONST_13  C15  N06  C07  C13     0.00   0.0  0
 KXW  CONST_14  N08  C07  N06  C15   180.00   0.0  0
 KXW  CONST_15  C34  C35  N36  C31     0.00   0.0  0
 KXW  CONST_16  C34  C33  C32  C31     0.00   0.0  0
 KXW  CONST_17  C35  C34  C33  C32     0.00   0.0  0
 KXW  CONST_18  C35  N36  C31  C32     0.00   0.0  0
 KXW  CONST_19  N36  C35  C34  C33     0.00   0.0  0
 KXW  CONST_20  N36  C31  C32  C33     0.00   0.0  0
 KXW  CONST_21  N14  C13  C07  N06     0.00   0.0  0
 KXW  CONST_22  N14  C13  C07  N08   180.00   0.0  0
 KXW  CONST_23  N14  C13  C11  N10   180.00   0.0  0
 KXW  CONST_24  N14  C15  N06  C05   180.00   0.0  0
 KXW  CONST_25  C13  C07  N06  C05   180.00   0.0  0
 KXW  CONST_26  N08  C07  N06  C05     0.00   0.0  0
 KXW  CONST_27  N12  C11  C13  C07   180.00   0.0  0
 KXW  CONST_28  N12  C11  N10  C09   180.00   0.0  0
 KXW  CONST_29  N30  C31  C32  C33   180.00   0.0  0
 KXW  CONST_30  N30  C31  N36  C35   180.00   0.0  0
 KXW  CONST_31  N14  C13  C11  N12     0.00   0.0  0
 KXW  CONST_32  H5   C15  N06  C05     0.00   0.0  0
 KXW  CONST_33  H4   C09  N08  C07   180.00   0.0  0
 KXW  CONST_34  H23  C35  N36  C31   180.00   0.0  0
 KXW  CONST_35  H21  C33  C32  C31   180.00   0.0  0
 KXW  CONST_36  H22  C34  C33  C32   180.00   0.0  0
 KXW  CONST_37  H20  C32  C33  C34   180.00   0.0  0
 KXW  CONST_38  N36  C31  N30  C29   180.00   0.0  0
 KXW  CONST_39  C32  C31  N30  C29     0.00   0.0  0
 KXW  CONST_40  H24  N12  C11  C13   180.00   0.0  0
 KXW  CONST_41  H25  N12  C11  C13     0.00   0.0  0
 KXW  CONST_42  H30  N30  C31  C32   180.00   0.0  0
 KXW  CONST_43  H33  O24  C23  C22   180.00   0.0  0
 KXW  Var_01    C27  N19  C18  C17   152.46  30.0  2
 KXW  Var_02    C31  N30  C29  C28   -72.64  30.0  1
 KXW  Var_03    C28  C27  N19  C18   -71.65  30.0  2
 KXW  Var_04    C21  C20  N19  C18   137.98  30.0  3
 KXW  Var_05    N19  C20  C21  C22   176.99  30.0  3
 KXW  Var_06    N30  C29  C28  C27  -178.89  30.0  1
 KXW  Var_07    N19  C27  C28  C29  -173.02  30.0  3

loop_
_chem_comp_chir.comp_id
_chem_comp_chir.id
_chem_comp_chir.atom_id_centre
_chem_comp_chir.atom_id_1
_chem_comp_chir.atom_id_2
_chem_comp_chir.atom_id_3
_chem_comp_chir.volume_sign
 KXW  chir_01  C02  C17  C03  O01  positiv
 KXW  chir_02  C03  O04  C02  C05  positiv
 KXW  chir_03  C05  O16  N06  C03  negativ
 KXW  chir_04  C17  O16  C18  C02  positiv
 KXW  chir_05  C22  N26  C21  C23  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
 KXW  plan-1  C31  0.020
 KXW  plan-1  C32  0.020
 KXW  plan-1  C33  0.020
 KXW  plan-1  C34  0.020
 KXW  plan-1  C35  0.020
 KXW  plan-1  N30  0.020
 KXW  plan-1  N36  0.020
 KXW  plan-1  H20  0.020
 KXW  plan-1  H21  0.020
 KXW  plan-1  H22  0.020
 KXW  plan-1  H23  0.020
 KXW  plan-2  C05  0.020
 KXW  plan-2  C07  0.020
 KXW  plan-2  C09  0.020
 KXW  plan-2  C11  0.020
 KXW  plan-2  C13  0.020
 KXW  plan-2  C15  0.020
 KXW  plan-2  N06  0.020
 KXW  plan-2  N08  0.020
 KXW  plan-2  N10  0.020
 KXW  plan-2  N12  0.020
 KXW  plan-2  N14  0.020
 KXW  plan-2  H4   0.020
 KXW  plan-2  H5   0.020
 KXW  plan-3  C11  0.020
 KXW  plan-3  N12  0.020
 KXW  plan-3  H24  0.020
 KXW  plan-3  H25  0.020
 KXW  plan-4  C29  0.020
 KXW  plan-4  C31  0.020
 KXW  plan-4  N30  0.020
 KXW  plan-4  H30  0.020
 KXW  plan-5  C22  0.020
 KXW  plan-5  C23  0.020
 KXW  plan-5  O24  0.020
 KXW  plan-5  O25  0.020
 KXW  plan-5  H33  0.020

