# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version 1.18.1-3865-
#   - file written: Tue Jun  9 13:50:54 2020
#   Inital geometry file: a 160 line input string
#   Ligand name: ~{N}-[(~{E})-3-[(2~{R},3~{S},4~{R},5~{R})-5-(6-ethylpurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]prop-2-enyl]-5-(4-fluorophenyl)-2,3-bis(oxidanyl)benzamide
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: CCc1ncnc2n(cnc12)[C@@H]3O[C@H](/C=C/CNC(=O)c4cc(cc(O)c4O)c5ccc(F)cc5)[C@@H](O)[C@H]3O
#
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
 72W  72W  ~{N}-[(~{E})-3-[(2~{R},3~{S},4~{R},5~{R})-5-(6-ethylpurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]prop-2-enyl]-5-(4-fluorophenyl)-2,3-bis(oxidanyl)benzamide  ligand  65  39  .  2021-08-05  2021-08-05  
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as OK
;

data_comp_72W
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
 72W  C6   C  CH1   0  -0.036   3.5048  -2.7245   1.9347
 72W  C7   C  CR6   0  -0.149  -2.4649  -0.1287  -1.0986
 72W  C8   C  CR15  0   0.124   1.6155  -0.6343   0.8720
 72W  C10  C  CH1   0  -0.005   3.4547  -4.2471   1.8045
 72W  C13  C  CH1   0  -0.066   2.6128  -4.3792   0.5328
 72W  C17  C  CR6   0   0.324  -3.5219   1.6717  -2.3312
 72W  C21  C  CR16  0   0.029   3.5111   0.5166  -2.8265
 72W  C22  C  CR6   0   0.072  -2.3785   3.0083   0.9987
 72W  C14  C  C     0   0.634  -2.0409  -1.5515  -1.0690
 72W  C11  C  CR6   0   0.236  -3.0835   0.3374  -2.2645
 72W  C2   C  CH1   0   0.196   3.5399  -2.2717   0.4645
 72W  C3   C  CR56  0   0.499   2.8215  -0.3258  -0.9162
 72W  C23  C  C1    0  -0.280   1.1381  -4.2252   0.7830
 72W  C19  C  CR6   0   0.254   1.6420   1.4868  -1.8971
 72W  N15  N  N     0  -0.426   3.7145  -0.3944  -1.8860
 72W  N1   N  NR5   0  -0.550   2.7179  -1.1032   0.2029
 72W  C4   C  CR56  0   0.075   1.7660   0.5860  -0.8458
 72W  N5   N  N     0  -0.450   1.0339   0.3703   0.2948
 72W  O9   O  O2    0  -0.478   3.1204  -3.3577  -0.3157
 72W  C12  C  CR16  0  -0.360  -2.2609   0.7533  -0.0342
 72W  C16  C  CR6   0   0.076  -2.6662   2.0738  -0.1061
 72W  C18  C  CR16  0  -0.398  -3.3123   2.5197  -1.2647
 72W  N20  N  N     0  -0.433   2.5404   1.4273  -2.8790
 72W  O24  O  O     0  -0.543  -2.0804  -2.2331  -2.1062
 72W  O25  O  OH1   0  -0.653   4.5999  -2.1861   2.6053
 72W  N26  N  NH1   0  -0.652  -1.6433  -2.0783   0.0904
 72W  C27  C  C1    0  -0.202   0.3106  -3.5491  -0.0051
 72W  C28  C  CR16  0  -0.309  -1.1519   2.9552   1.6631
 72W  C29  C  CR16  0  -0.293  -3.3088   3.9686   1.3963
 72W  O30  O  OH1   0  -0.664   4.7599  -4.7202   1.6283
 72W  O31  O  OH1   0  -0.646  -3.2949  -0.4157  -3.3476
 72W  O32  O  OH1   0  -0.634  -4.1257   2.1423  -3.4400
 72W  C33  C  CR6   0   0.516  -1.8087   4.7649   3.0638
 72W  C34  C  CR16  0  -0.405  -0.8598   3.8296   2.6988
 72W  C35  C  CR16  0  -0.399  -3.0326   4.8519   2.4293
 72W  F36  F  F     0  -0.316  -1.5321   5.6177   4.0645
 72W  C37  C  CH2   0  -0.352  -1.1676  -3.4425   0.2206
 72W  C38  C  CH2   0  -0.517   0.5692   2.5241  -1.9462
 72W  C39  C  CH3   0  -0.665   1.0369   3.8383  -1.3193
 72W  H1   H  HCH1  0   0.254   2.5644  -2.4256   2.4097
 72W  H2   H  HCR5  0   0.306   1.2827  -1.0662   1.8016
 72W  H3   H  HCH1  0   0.252   2.9614  -4.7134   2.6661
 72W  H4   H  HCH1  0   0.282   2.8005  -5.3440   0.0487
 72W  H5   H  HCR6  0   0.259   4.2114   0.5168  -3.6536
 72W  H6   H  HCH1  0   0.279   4.5574  -2.0022   0.1733
 72W  H7   H  H     0   0.262   0.7490  -4.7476   1.6537
 72W  H8   H  HCR6  0   0.243  -1.7513   0.4245   0.8603
 72W  H9   H  HCR6  0   0.267  -3.6212   3.5546  -1.3538
 72W  H10  H  HOH1  0   0.464   4.5016  -2.3615   3.5464
 72W  H11  H  HNH1  0   0.418  -1.6090  -1.5005   0.9128
 72W  H12  H  H     0   0.259   0.6878  -3.0476  -0.8915
 72W  H13  H  HCR6  0   0.290  -0.4041   2.2348   1.3513
 72W  H14  H  HCR6  0   0.263  -4.2738   4.0218   0.9081
 72W  H15  H  HOH1  0   0.458   4.7265  -5.6787   1.5463
 72W  H16  H  HOH1  0   0.483  -2.8680  -1.2929  -3.1587
 72W  H17  H  HOH1  0   0.475  -4.1744   1.4536  -4.1143
 72W  H18  H  HCR6  0   0.278   0.0965   3.7901   3.2041
 72W  H19  H  HCR6  0   0.279  -3.7633   5.5874   2.7394
 72W  H20  H  HCH2  0   0.275  -1.4363  -3.8009   1.2139
 72W  H21  H  HCH2  0   0.270  -1.7022  -4.0627  -0.4999
 72W  H22  H  HCH2  0   0.252   0.2849   2.6917  -2.9862
 72W  H23  H  HCH2  0   0.273  -0.3129   2.1610  -1.4173
 72W  H24  H  HCH3  0   0.230   1.3113   3.7003  -0.2734
 72W  H25  H  HCH3  0   0.233   1.9001   4.2423  -1.8482
 72W  H26  H  HCH3  0   0.240   0.2382   4.5784  -1.3556

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
 72W  C38  C39  single    1.529  0.020  1.529
 72W  C38  C19  single    1.493  0.020  1.493
 72W  N20  C19  aromatic  1.332  0.020  1.332
 72W  N20  C21  aromatic  1.332  0.020  1.332
 72W  C19  C4   aromatic  1.390  0.020  1.390
 72W  C21  N15  aromatic  1.325  0.020  1.325
 72W  C4   N5   aromatic  1.372  0.020  1.372
 72W  C4   C3   aromatic  1.397  0.020  1.397
 72W  N5   C8   aromatic  1.296  0.020  1.296
 72W  N15  C3   aromatic  1.320  0.020  1.320
 72W  C3   N1   aromatic  1.367  0.020  1.367
 72W  C8   N1   aromatic  1.372  0.020  1.372
 72W  N1   C2   single    1.452  0.020  1.452
 72W  O31  C11  single    1.336  0.020  1.336
 72W  O9   C2   single    1.401  0.020  1.401
 72W  O9   C13  single    1.422  0.020  1.422
 72W  C37  C27  single    1.499  0.020  1.499
 72W  C37  N26  single    1.451  0.020  1.451
 72W  O32  C17  single    1.347  0.020  1.347
 72W  C2   C6   single    1.539  0.020  1.539
 72W  C27  C23  double    1.328  0.020  1.328
 72W  N26  C14  single    1.334  0.020  1.334
 72W  C11  C17  aromatic  1.406  0.020  1.406
 72W  C11  C7   aromatic  1.400  0.020  1.400
 72W  C17  C18  aromatic  1.379  0.020  1.379
 72W  C14  C7   single    1.485  0.020  1.485
 72W  C14  O24  double    1.242  0.020  1.242
 72W  C7   C12  aromatic  1.397  0.020  1.397
 72W  C23  C13  single    1.504  0.020  1.504
 72W  C13  C10  single    1.531  0.020  1.531
 72W  C18  C16  aromatic  1.400  0.020  1.400
 72W  C12  C16  aromatic  1.383  0.020  1.383
 72W  C6   C10  single    1.529  0.020  1.529
 72W  C6   O25  single    1.392  0.020  1.392
 72W  C16  C22  single    1.475  0.020  1.475
 72W  C28  C22  aromatic  1.396  0.020  1.396
 72W  C28  C34  aromatic  1.387  0.020  1.387
 72W  C10  O30  single    1.399  0.020  1.399
 72W  C22  C29  aromatic  1.395  0.020  1.395
 72W  C34  C33  aromatic  1.381  0.020  1.381
 72W  C29  C35  aromatic  1.387  0.020  1.387
 72W  C33  C35  aromatic  1.381  0.020  1.381
 72W  C33  F36  single    1.343  0.020  1.343
 72W  C6   H1   single    0.970  0.020  1.090
 72W  C8   H2   single    0.930  0.020  1.080
 72W  C10  H3   single    0.970  0.020  1.090
 72W  C13  H4   single    0.970  0.020  1.090
 72W  C21  H5   single    0.930  0.020  1.080
 72W  C2   H6   single    0.970  0.020  1.090
 72W  C23  H7   single    0.930  0.020  1.080
 72W  C12  H8   single    0.930  0.020  1.080
 72W  C18  H9   single    0.930  0.020  1.080
 72W  O25  H10  single    0.850  0.020  0.980
 72W  N26  H11  single    0.860  0.020  1.020
 72W  C27  H12  single    0.930  0.020  1.080
 72W  C28  H13  single    0.930  0.020  1.080
 72W  C29  H14  single    0.930  0.020  1.080
 72W  O30  H15  single    0.850  0.020  0.980
 72W  O31  H16  single    0.850  0.020  0.980
 72W  O32  H17  single    0.850  0.020  0.980
 72W  C34  H18  single    0.930  0.020  1.080
 72W  C35  H19  single    0.930  0.020  1.080
 72W  C37  H20  single    0.970  0.020  1.090
 72W  C37  H21  single    0.970  0.020  1.090
 72W  C38  H22  single    0.970  0.020  1.090
 72W  C38  H23  single    0.970  0.020  1.090
 72W  C39  H24  single    0.970  0.020  1.090
 72W  C39  H25  single    0.970  0.020  1.090
 72W  C39  H26  single    0.970  0.020  1.090

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
 72W  H1   C6   O25  111.16  3.000
 72W  H1   C6   C2   110.71  3.000
 72W  O25  C6   C2   109.17  3.000
 72W  H1   C6   C10  106.30  3.000
 72W  O25  C6   C10  116.87  3.000
 72W  C2   C6   C10  102.26  3.000
 72W  C12  C7   C11  119.26  3.000
 72W  C12  C7   C14  123.23  3.000
 72W  C11  C7   C14  117.51  3.000
 72W  H2   C8   N5   123.78  3.000
 72W  H2   C8   N1   122.12  3.000
 72W  N5   C8   N1   114.09  3.000
 72W  H3   C10  O30  112.00  3.000
 72W  H3   C10  C13  111.63  3.000
 72W  O30  C10  C13  112.28  3.000
 72W  H3   C10  C6   111.79  3.000
 72W  O30  C10  C6   108.47  3.000
 72W  C13  C10  C6   100.06  3.000
 72W  H4   C13  O9   107.93  3.000
 72W  H4   C13  C23  109.37  3.000
 72W  O9   C13  C23  112.08  3.000
 72W  H4   C13  C10  110.42  3.000
 72W  C23  C13  C10  113.10  3.000
 72W  O9   C13  C10  103.74  3.000
 72W  O32  C17  C18  119.33  3.000
 72W  C18  C17  C11  119.98  3.000
 72W  O32  C17  C11  120.68  3.000
 72W  H5   C21  N20  116.14  3.000
 72W  H5   C21  N15  116.28  3.000
 72W  N20  C21  N15  127.58  3.000
 72W  C29  C22  C28  118.46  3.000
 72W  C29  C22  C16  121.29  3.000
 72W  C28  C22  C16  120.24  3.000
 72W  N26  C14  O24  121.24  3.000
 72W  O24  C14  C7   120.02  3.000
 72W  N26  C14  C7   118.74  3.000
 72W  O31  C11  C17  116.56  3.000
 72W  C17  C11  C7   119.56  3.000
 72W  O31  C11  C7   123.88  3.000
 72W  H6   C2   O9   108.77  3.000
 72W  H6   C2   N1   106.30  3.000
 72W  O9   C2   N1   110.72  3.000
 72W  H6   C2   C6   110.40  3.000
 72W  O9   C2   C6   107.28  3.000
 72W  N1   C2   C6   113.32  3.000
 72W  C4   C3   N1   105.83  3.000
 72W  N1   C3   N15  128.56  3.000
 72W  C4   C3   N15  125.60  3.000
 72W  H7   C23  C27  119.80  3.000
 72W  H7   C23  C13  115.78  3.000
 72W  C27  C23  C13  124.37  3.000
 72W  C38  C19  N20  119.43  3.000
 72W  N20  C19  C4   117.93  3.000
 72W  C38  C19  C4   122.63  3.000
 72W  C3   N15  C21  112.45  3.000
 72W  C3   N1   C2   124.21  3.000
 72W  C2   N1   C8   129.93  3.000
 72W  C3   N1   C8   105.42  3.000
 72W  N5   C4   C19  133.07  3.000
 72W  N5   C4   C3   110.02  3.000
 72W  C19  C4   C3   116.90  3.000
 72W  C4   N5   C8   104.63  3.000
 72W  C2   O9   C13  109.35  3.000
 72W  H8   C12  C16  118.14  3.000
 72W  H8   C12  C7   120.49  3.000
 72W  C16  C12  C7   121.35  3.000
 72W  C18  C16  C12  118.85  3.000
 72W  C12  C16  C22  120.57  3.000
 72W  C18  C16  C22  120.54  3.000
 72W  H9   C18  C16  120.26  3.000
 72W  H9   C18  C17  118.72  3.000
 72W  C16  C18  C17  120.97  3.000
 72W  C19  N20  C21  119.53  3.000
 72W  H10  O25  C6   108.67  3.000
 72W  H11  N26  C37  117.11  3.000
 72W  H11  N26  C14  119.60  3.000
 72W  C37  N26  C14  123.17  3.000
 72W  H12  C27  C37  115.63  3.000
 72W  H12  C27  C23  120.21  3.000
 72W  C37  C27  C23  124.15  3.000
 72W  H13  C28  C34  119.24  3.000
 72W  H13  C28  C22  119.64  3.000
 72W  C34  C28  C22  121.11  3.000
 72W  H14  C29  C35  118.82  3.000
 72W  H14  C29  C22  119.98  3.000
 72W  C35  C29  C22  121.19  3.000
 72W  H15  O30  C10  108.36  3.000
 72W  H16  O31  C11  105.99  3.000
 72W  H17  O32  C17  110.38  3.000
 72W  F36  C33  C35  118.98  3.000
 72W  F36  C33  C34  119.02  3.000
 72W  C35  C33  C34  122.00  3.000
 72W  H18  C34  C33  120.55  3.000
 72W  H18  C34  C28  120.79  3.000
 72W  C33  C34  C28  118.66  3.000
 72W  H19  C35  C33  120.62  3.000
 72W  H19  C35  C29  120.79  3.000
 72W  C33  C35  C29  118.59  3.000
 72W  H21  C37  H20  107.12  3.000
 72W  H21  C37  C27  110.09  3.000
 72W  H20  C37  C27  110.92  3.000
 72W  H21  C37  N26  108.34  3.000
 72W  H20  C37  N26  108.08  3.000
 72W  C27  C37  N26  112.13  3.000
 72W  H23  C38  H22  107.62  3.000
 72W  H23  C38  C39  109.55  3.000
 72W  H22  C38  C39  109.78  3.000
 72W  H23  C38  C19  109.51  3.000
 72W  H22  C38  C19  108.99  3.000
 72W  C39  C38  C19  111.33  3.000
 72W  H26  C39  H25  108.21  3.000
 72W  H26  C39  H24  107.61  3.000
 72W  H25  C39  H24  108.24  3.000
 72W  H26  C39  C38  110.24  3.000
 72W  H25  C39  C38  111.21  3.000
 72W  H24  C39  C38  111.20  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
 72W  CONST_01  C18  C17  C11  C7      0.00   0.0  0
 72W  CONST_02  C18  C16  C12  C7      0.00   0.0  0
 72W  CONST_03  C22  C16  C12  C7    180.00   0.0  0
 72W  CONST_04  C19  C4   N5   C8    180.00   0.0  0
 72W  CONST_05  C3   C4   N5   C8      0.00   0.0  0
 72W  CONST_06  C4   C3   N1   C8      0.00   0.0  0
 72W  CONST_07  N15  C3   N1   C8    180.00   0.0  0
 72W  CONST_08  C12  C7   C11  C17     0.00   0.0  0
 72W  CONST_09  C12  C16  C18  C17     0.00   0.0  0
 72W  CONST_10  C22  C16  C18  C17   180.00   0.0  0
 72W  CONST_11  C4   C19  N20  C21     0.00   0.0  0
 72W  CONST_12  C4   C3   N15  C21     0.00   0.0  0
 72W  CONST_13  N1   C3   N15  C21   180.00   0.0  0
 72W  CONST_14  C33  C34  C28  C22     0.00   0.0  0
 72W  CONST_15  C33  C35  C29  C22     0.00   0.0  0
 72W  CONST_16  C16  C18  C17  C11     0.00   0.0  0
 72W  CONST_17  C16  C12  C7   C11     0.00   0.0  0
 72W  CONST_18  N20  C19  C4   C3      0.00   0.0  0
 72W  CONST_19  N20  C21  N15  C3      0.00   0.0  0
 72W  CONST_20  N5   C8   N1   C3      0.00   0.0  0
 72W  CONST_21  N15  C21  N20  C19     0.00   0.0  0
 72W  CONST_22  N15  C3   C4   C19     0.00   0.0  0
 72W  CONST_23  N1   C3   C4   C19   180.00   0.0  0
 72W  CONST_24  N5   C4   C3   N15   180.00   0.0  0
 72W  CONST_25  N5   C4   C3   N1      0.00   0.0  0
 72W  CONST_26  C4   N5   C8   N1      0.00   0.0  0
 72W  CONST_27  N20  C19  C4   N5    180.00   0.0  0
 72W  CONST_30  C34  C28  C22  C16   180.00   0.0  0
 72W  CONST_31  C35  C29  C22  C16   180.00   0.0  0
 72W  CONST_34  C35  C29  C22  C28     0.00   0.0  0
 72W  CONST_35  C35  C33  C34  C28     0.00   0.0  0
 72W  CONST_36  C34  C28  C22  C29     0.00   0.0  0
 72W  CONST_37  C34  C33  C35  C29     0.00   0.0  0
 72W  CONST_38  C4   C3   N1   C2    180.00   0.0  0
 72W  CONST_39  N15  C3   N1   C2      0.00   0.0  0
 72W  CONST_40  N5   C8   N1   C2    180.00   0.0  0
 72W  CONST_41  O32  C17  C11  C7    180.00   0.0  0
 72W  CONST_42  C14  C7   C11  C17   180.00   0.0  0
 72W  CONST_43  C38  C19  N20  C21   180.00   0.0  0
 72W  CONST_44  C16  C12  C7   C14   180.00   0.0  0
 72W  CONST_45  C38  C19  C4   C3    180.00   0.0  0
 72W  CONST_46  C38  C19  C4   N5      0.00   0.0  0
 72W  CONST_47  O31  C11  C7   C12   180.00   0.0  0
 72W  CONST_48  O32  C17  C18  C16   180.00   0.0  0
 72W  CONST_49  O31  C11  C17  C18   180.00   0.0  0
 72W  CONST_50  F36  C33  C34  C28   180.00   0.0  0
 72W  CONST_51  F36  C33  C35  C29   180.00   0.0  0
 72W  CONST_52  H9   C18  C16  C22     0.00   0.0  0
 72W  CONST_53  H8   C12  C16  C22     0.00   0.0  0
 72W  CONST_54  H18  C34  C28  C22   180.00   0.0  0
 72W  CONST_55  H19  C35  C29  C22   180.00   0.0  0
 72W  CONST_56  H2   C8   N1   C2      0.00   0.0  0
 72W  CONST_57  H5   C21  N15  C3    180.00   0.0  0
 72W  CONST_58  H13  C28  C22  C16     0.00   0.0  0
 72W  CONST_59  H14  C29  C22  C16     0.00   0.0  0
 72W  CONST_60  C37  N26  C14  C7    180.00   0.0  0
 72W  CONST_61  H11  N26  C14  C7      0.00   0.0  0
 72W  CONST_62  C37  N26  C14  O24     0.00   0.0  0
 72W  Var_01    N26  C14  C7   C11  -169.64  30.0  2
 72W  Var_02    C39  C38  C19  C4     91.71  30.0  2
 72W  Var_03    C37  C27  C23  C13   177.55   0.0  2
 72W  Var_04    H24  C39  C38  C19   -60.17  30.0  3
 72W  Var_05    C27  C37  N26  C14    88.90  30.0  2
 72W  Var_06    N26  C37  C27  C23   133.23  30.0  2

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
 72W  chir_01  C6   C2   C10  O25  negativ
 72W  chir_02  C10  O30  C6   C13  negativ
 72W  chir_03  C13  O9   C23  C10  positiv
 72W  chir_04  C2   O9   N1   C6   negativ

loop_
_chem_comp_plane_atom.comp_id
_chem_comp_plane_atom.plane_id
_chem_comp_plane_atom.atom_id
_chem_comp_plane_atom.dist_esd
 72W  plan-1  C7   0.020
 72W  plan-1  C17  0.020
 72W  plan-1  C22  0.020
 72W  plan-1  C14  0.020
 72W  plan-1  C11  0.020
 72W  plan-1  C12  0.020
 72W  plan-1  C16  0.020
 72W  plan-1  C18  0.020
 72W  plan-1  O31  0.020
 72W  plan-1  O32  0.020
 72W  plan-1  H8   0.020
 72W  plan-1  H9   0.020
 72W  plan-2  C22  0.020
 72W  plan-2  C16  0.020
 72W  plan-2  C28  0.020
 72W  plan-2  C29  0.020
 72W  plan-2  C33  0.020
 72W  plan-2  C34  0.020
 72W  plan-2  C35  0.020
 72W  plan-2  F36  0.020
 72W  plan-2  H13  0.020
 72W  plan-2  H14  0.020
 72W  plan-2  H18  0.020
 72W  plan-2  H19  0.020
 72W  plan-3  C8   0.020
 72W  plan-3  C21  0.020
 72W  plan-3  C2   0.020
 72W  plan-3  C3   0.020
 72W  plan-3  C19  0.020
 72W  plan-3  N15  0.020
 72W  plan-3  N1   0.020
 72W  plan-3  C4   0.020
 72W  plan-3  N5   0.020
 72W  plan-3  N20  0.020
 72W  plan-3  C38  0.020
 72W  plan-3  H2   0.020
 72W  plan-3  H5   0.020
 72W  plan-4  C7   0.020
 72W  plan-4  C14  0.020
 72W  plan-4  O24  0.020
 72W  plan-4  N26  0.020
 72W  plan-4  C37  0.020
 72W  plan-4  H11  0.020
 72W  plan-5  C13  0.020
 72W  plan-5  C23  0.020
 72W  plan-5  C27  0.020
 72W  plan-5  C37  0.020
 72W  plan-5  H7   0.020
 72W  plan-5  H12  0.020

