# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Sat Jul 31 15:28:42 2021
#   Inital geometry file: a 146 line input string
#   Ligand name: [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] (4~{S})-2-(6-oxidanyl-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylate
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(=O)OC(=O)[C@H]4CSC(=N4)c5sc6cc(O)ccc6n5)[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
 D4F  D4F  '[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] (4~{S})-2-(6-oxidanyl-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylate'  ligand  60  40  .  2022-11-17  2022-11-17
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as PERFECT
;

data_comp_D4F
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
 D4F  C13  C  CR16  0  -0.376  -23.1629  -33.5469  26.6506
 D4F  C24  C  CR15  0   0.007  -22.4225  -33.4849  17.0894
 D4F  C26  C  CR15  0  -0.070  -23.0185  -35.2072  18.5835
 D4F  C1   C  CH2   0  -0.598  -22.3475  -28.6247  20.1085
 D4F  C2   C  CR15  0  -0.215  -21.0526  -29.4187  19.8996
 D4F  C4   C  CR5   0   0.054  -21.7634  -30.3269  21.8233
 D4F  C6   C  CR5   0   0.026  -21.8801  -31.2853  22.9070
 D4F  C8   C  CR56  0   0.323  -22.5873  -32.2117  24.7541
 D4F  C9   C  CR56  0  -0.212  -21.7494  -33.2504  24.3096
 D4F  C11  C  CR16  0  -0.371  -21.6032  -34.4365  25.0119
 D4F  C12  C  CR6   0   0.374  -22.3254  -34.5783  26.1877
 D4F  C14  C  CR16  0  -0.287  -23.2956  -32.3736  25.9460
 D4F  C23  C  CH2   0  -0.192  -22.8584  -32.2862  16.2915
 D4F  C25  C  CR15  0   0.010  -23.5465  -34.4853  17.3411
 D4F  C27  C  CR15  0   0.173  -22.3934  -34.0273  19.3466
 D4F  C30  C  CR15  0   0.097  -23.9464  -32.1795  20.1688
 D4F  C32  C  CR56  0   0.020  -24.6373  -33.0231  21.9761
 D4F  C33  C  CR56  0   0.483  -23.7898  -33.9660  21.4168
 D4F  C35  C  CR16  0   0.041  -24.1008  -35.3710  23.0731
 D4F  C37  C  CR6   0   0.455  -25.2126  -33.3643  23.2127
 D4F  N3   N  N     0  -0.349  -21.0062  -30.5289  20.8297
 D4F  N7   N  N     0  -0.376  -22.6357  -31.1179  23.9330
 D4F  N29  N  NR5   0  -0.530  -23.3517  -33.4086  20.2509
 D4F  N31  N  N     0  -0.440  -24.7236  -31.9135  21.1774
 D4F  N34  N  N     0  -0.455  -23.4837  -35.1585  21.9230
 D4F  N36  N  N     0  -0.458  -24.9302  -34.5636  23.7279
 D4F  N38  N  NH2   0  -0.816  -26.0471  -32.5483  23.8679
 D4F  O15  O  OH1   0  -0.627  -22.1904  -35.7325  26.8626
 D4F  O20  O  OH1   0  -0.712  -20.2966  -29.6047  15.4537
 D4F  O21  O  O     0  -0.670  -22.9002  -29.2445  15.4094
 D4F  O22  O  O2    0  -0.579  -21.6977  -31.4992  15.9766
 D4F  O28  O  O     0  -0.494  -21.9962  -33.0902  18.3886
 D4F  O39  O  OH1   0  -0.658  -22.0391  -36.1177  18.1753
 D4F  O40  O  OH1   0  -0.654  -23.7531  -35.2748  16.2146
 D4F  P19  P  P     0   1.490  -21.7410  -29.9197  16.0080
 D4F  S5   S  S2    0   0.102  -22.7226  -28.8548  21.8751
 D4F  S10  S  S2    0   0.262  -21.0068  -32.7905  22.8197
 D4F  H1   H  HCR6  0   0.280  -23.7132  -33.6809  27.5746
 D4F  H2   H  HCR5  0   0.261  -21.6005  -33.9856  16.5625
 D4F  H3   H  HCR5  0   0.272  -23.8125  -35.6882  19.1643
 D4F  H4   H  HCH2  0   0.314  -22.2205  -27.5680  19.8870
 D4F  H5   H  HCH2  0   0.301  -23.1864  -29.0086  19.5296
 D4F  H6   H  HCR5  0   0.327  -20.1960  -28.7651  20.1188
 D4F  H8   H  HCR6  0   0.282  -20.9614  -35.2333  24.6594
 D4F  H9   H  HCR6  0   0.272  -23.9449  -31.5858  26.3035
 D4F  H10  H  HCH2  0   0.247  -23.6066  -31.7051  16.8379
 D4F  H11  H  HCH2  0   0.276  -23.3098  -32.6179  15.3557
 D4F  H12  H  HCR5  0   0.239  -24.4579  -33.9416  17.6295
 D4F  H13  H  HCR5  0   0.277  -21.5354  -34.3451  19.9473
 D4F  H14  H  HCR5  0   0.277  -23.7801  -31.5173  19.3343
 D4F  H15  H  HCR6  0   0.248  -23.9092  -36.3273  23.5477
 D4F  H18  H  HNH2  0   0.397  -26.2931  -32.7685  24.8181
 D4F  H19  H  HNH2  0   0.403  -26.1206  -31.5850  23.5897
 D4F  H20  H  HOH1  0   0.479  -22.7304  -35.7252  27.6609
 D4F  H21  H  HOH1  0   0.514  -20.2139  -28.7377  15.0317
 D4F  H22  H  HOH1  0   0.462  -21.7524  -36.6252  18.9411
 D4F  H23  H  HOH1  0   0.465  -24.5842  -35.7491  16.3152
 D4F  C16  C  C     0   0.603  -20.7968  -29.9500  18.4994
 D4F  O17  O  O     0  -0.389  -19.8680  -30.6413  18.2184
 D4F  O18  O  O2    0  -0.586  -21.7167  -29.5273  17.6097

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
 D4F  O40  C25  single    1.391  0.020  1.391
 D4F  O21  P19  double    1.469  0.020  1.469
 D4F  O39  C26  single    1.398  0.020  1.398
 D4F  O20  P19  single    1.579  0.020  1.579
 D4F  O22  P19  single    1.580  0.020  1.580
 D4F  O22  C23  single    1.437  0.020  1.437
 D4F  P19  O18  single    1.649  0.020  1.649
 D4F  C24  C23  single    1.505  0.020  1.505
 D4F  C24  C25  single    1.526  0.020  1.526
 D4F  C24  O28  single    1.423  0.020  1.423
 D4F  C25  C26  single    1.531  0.020  1.531
 D4F  C26  C27  single    1.538  0.020  1.538
 D4F  O28  C27  single    1.398  0.020  1.398
 D4F  C27  N29  single    1.456  0.020  1.456
 D4F  O18  C16  single    1.348  0.020  1.348
 D4F  C16  O17  double    1.191  0.020  1.191
 D4F  C16  C2   single    1.519  0.020  1.519
 D4F  N29  C33  aromatic  1.365  0.020  1.365
 D4F  N29  C30  aromatic  1.368  0.020  1.368
 D4F  N34  C33  aromatic  1.331  0.020  1.331
 D4F  N34  C35  aromatic  1.322  0.020  1.322
 D4F  C33  C32  aromatic  1.386  0.020  1.386
 D4F  C30  N31  aromatic  1.301  0.020  1.301
 D4F  C1   C2   single    1.533  0.020  1.533
 D4F  C1   S5   single    1.821  0.020  1.821
 D4F  C2   N3   single    1.449  0.020  1.449
 D4F  C35  N36  aromatic  1.330  0.020  1.330
 D4F  C32  N31  aromatic  1.370  0.020  1.370
 D4F  C32  C37  aromatic  1.406  0.020  1.406
 D4F  N3   C4   double    1.266  0.020  1.266
 D4F  N36  C37  aromatic  1.335  0.020  1.335
 D4F  S5   C4   single    1.758  0.020  1.758
 D4F  C37  N38  single    1.338  0.020  1.338
 D4F  C4   C6   single    1.451  0.020  1.451
 D4F  C6   S10  aromatic  1.742  0.020  1.742
 D4F  C6   N7   aromatic  1.285  0.020  1.285
 D4F  S10  C9   aromatic  1.727  0.020  1.727
 D4F  N7   C8   aromatic  1.369  0.020  1.369
 D4F  C9   C8   aromatic  1.407  0.020  1.407
 D4F  C9   C11  aromatic  1.386  0.020  1.386
 D4F  C8   C14  aromatic  1.396  0.020  1.396
 D4F  C11  C12  aromatic  1.387  0.020  1.387
 D4F  C14  C13  aromatic  1.375  0.020  1.375
 D4F  C12  C13  aromatic  1.407  0.020  1.407
 D4F  C12  O15  single    1.344  0.020  1.344
 D4F  C13  H1   single    0.930  0.020  1.080
 D4F  C24  H2   single    0.970  0.020  1.090
 D4F  C26  H3   single    0.970  0.020  1.090
 D4F  C1   H4   single    0.970  0.020  1.090
 D4F  C1   H5   single    0.970  0.020  1.090
 D4F  C2   H6   single    0.970  0.020  1.090
 D4F  C11  H8   single    0.930  0.020  1.080
 D4F  C14  H9   single    0.930  0.020  1.080
 D4F  C23  H10  single    0.970  0.020  1.090
 D4F  C23  H11  single    0.970  0.020  1.090
 D4F  C25  H12  single    0.970  0.020  1.090
 D4F  C27  H13  single    0.970  0.020  1.090
 D4F  C30  H14  single    0.930  0.020  1.080
 D4F  C35  H15  single    0.930  0.020  1.080
 D4F  N38  H18  single    0.890  0.020  1.040
 D4F  N38  H19  single    0.890  0.020  1.040
 D4F  O15  H20  single    0.850  0.020  0.980
 D4F  O20  H21  single    0.850  0.020  0.980
 D4F  O39  H22  single    0.850  0.020  0.980
 D4F  O40  H23  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
 D4F  H1   C13  C14  119.56  3.000
 D4F  H1   C13  C12  119.49  3.000
 D4F  C14  C13  C12  120.95  3.000
 D4F  H2   C24  O28  109.91  3.000
 D4F  H2   C24  C25  109.39  3.000
 D4F  O28  C24  C25  104.59  3.000
 D4F  H2   C24  C23  109.02  3.000
 D4F  O28  C24  C23  110.49  3.000
 D4F  C25  C24  C23  113.36  3.000
 D4F  H3   C26  O39  112.13  3.000
 D4F  H3   C26  C27  111.62  3.000
 D4F  O39  C26  C27  111.08  3.000
 D4F  H3   C26  C25  112.80  3.000
 D4F  C27  C26  C25  100.44  3.000
 D4F  O39  C26  C25  108.16  3.000
 D4F  H5   C1   H4   108.93  3.000
 D4F  H5   C1   S5   108.21  3.000
 D4F  H4   C1   S5   110.16  3.000
 D4F  H5   C1   C2   113.30  3.000
 D4F  H4   C1   C2   112.14  3.000
 D4F  S5   C1   C2   103.93  3.000
 D4F  H6   C2   N3   107.61  3.000
 D4F  H6   C2   C16  105.10  3.000
 D4F  N3   C2   C16  108.55  3.000
 D4F  H6   C2   C1   108.84  3.000
 D4F  N3   C2   C1   109.65  3.000
 D4F  C16  C2   C1   116.67  3.000
 D4F  S5   C4   N3   118.90  3.000
 D4F  S5   C4   C6   119.15  3.000
 D4F  N3   C4   C6   121.93  3.000
 D4F  S10  C6   N7   116.57  3.000
 D4F  N7   C6   C4   123.87  3.000
 D4F  S10  C6   C4   119.52  3.000
 D4F  N7   C8   C14  125.95  3.000
 D4F  C14  C8   C9   119.11  3.000
 D4F  N7   C8   C9   114.94  3.000
 D4F  S10  C9   C11  128.29  3.000
 D4F  C11  C9   C8   122.31  3.000
 D4F  S10  C9   C8   109.40  3.000
 D4F  H8   C11  C12  120.64  3.000
 D4F  H8   C11  C9   121.84  3.000
 D4F  C12  C11  C9   117.52  3.000
 D4F  O15  C12  C11  117.46  3.000
 D4F  O15  C12  C13  121.61  3.000
 D4F  C11  C12  C13  120.92  3.000
 D4F  H9   C14  C8   120.15  3.000
 D4F  H9   C14  C13  120.66  3.000
 D4F  C8   C14  C13  119.18  3.000
 D4F  H11  C23  H10  107.88  3.000
 D4F  H11  C23  O22  108.23  3.000
 D4F  H10  C23  O22  111.78  3.000
 D4F  H11  C23  C24  109.43  3.000
 D4F  H10  C23  C24  110.89  3.000
 D4F  O22  C23  C24  108.57  3.000
 D4F  H12  C25  O40  111.71  3.000
 D4F  H12  C25  C26  107.82  3.000
 D4F  O40  C25  C26  116.16  3.000
 D4F  H12  C25  C24  109.25  3.000
 D4F  C26  C25  C24  100.89  3.000
 D4F  O40  C25  C24  110.37  3.000
 D4F  H13  C27  O28  110.37  3.000
 D4F  H13  C27  N29  107.38  3.000
 D4F  O28  C27  N29  109.14  3.000
 D4F  H13  C27  C26  111.61  3.000
 D4F  N29  C27  C26  111.52  3.000
 D4F  O28  C27  C26  106.84  3.000
 D4F  H14  C30  N31  124.52  3.000
 D4F  H14  C30  N29  122.09  3.000
 D4F  N31  C30  N29  113.39  3.000
 D4F  N31  C32  C37  133.13  3.000
 D4F  C37  C32  C33  116.12  3.000
 D4F  N31  C32  C33  110.75  3.000
 D4F  N34  C33  N29  128.10  3.000
 D4F  N34  C33  C32  126.63  3.000
 D4F  N29  C33  C32  105.27  3.000
 D4F  H15  C35  N36  115.47  3.000
 D4F  H15  C35  N34  116.09  3.000
 D4F  N36  C35  N34  128.44  3.000
 D4F  N38  C37  N36  119.37  3.000
 D4F  N38  C37  C32  122.53  3.000
 D4F  N36  C37  C32  118.08  3.000
 D4F  C4   N3   C2   111.26  3.000
 D4F  C8   N7   C6   110.74  3.000
 D4F  C33  N29  C30  106.19  3.000
 D4F  C30  N29  C27  129.12  3.000
 D4F  C33  N29  C27  124.64  3.000
 D4F  C32  N31  C30  104.41  3.000
 D4F  C35  N34  C33  111.55  3.000
 D4F  C37  N36  C35  119.15  3.000
 D4F  H19  N38  H18  116.95  3.000
 D4F  H19  N38  C37  119.62  3.000
 D4F  H18  N38  C37  118.78  3.000
 D4F  H20  O15  C12  110.68  3.000
 D4F  H21  O20  P19  114.20  3.000
 D4F  P19  O22  C23  121.39  3.000
 D4F  C27  O28  C24  110.77  3.000
 D4F  H22  O39  C26  108.65  3.000
 D4F  H23  O40  C25  108.87  3.000
 D4F  O22  P19  O21  118.22  3.000
 D4F  O22  P19  O20   99.63  3.000
 D4F  O21  P19  O20  119.16  3.000
 D4F  O22  P19  O18  104.87  3.000
 D4F  O20  P19  O18  106.26  3.000
 D4F  O21  P19  O18  107.34  3.000
 D4F  C4   S5   C1    87.99  3.000
 D4F  C9   S10  C6    88.36  3.000
 D4F  O18  C16  O17  123.94  3.000
 D4F  O17  C16  C2   123.48  3.000
 D4F  O18  C16  C2   112.57  3.000
 D4F  P19  O18  C16  125.21  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
 D4F  CONST_01  N7   C8   C14  C13   180.00   0.0  0
 D4F  CONST_02  C9   C8   C14  C13     0.00   0.0  0
 D4F  CONST_03  C9   C11  C12  C13     0.00   0.0  0
 D4F  CONST_04  C8   C9   S10  C6      0.00   0.0  0
 D4F  CONST_05  C11  C9   S10  C6    180.00   0.0  0
 D4F  CONST_06  C9   C8   N7   C6      0.00   0.0  0
 D4F  CONST_07  C14  C8   N7   C6    180.00   0.0  0
 D4F  CONST_08  S10  C6   N7   C8      0.00   0.0  0
 D4F  CONST_09  C12  C11  C9   C8      0.00   0.0  0
 D4F  CONST_10  C12  C13  C14  C8      0.00   0.0  0
 D4F  CONST_11  N7   C6   S10  C9      0.00   0.0  0
 D4F  CONST_12  N7   C8   C9   C11   180.00   0.0  0
 D4F  CONST_13  C14  C8   C9   C11     0.00   0.0  0
 D4F  CONST_14  C14  C13  C12  C11     0.00   0.0  0
 D4F  CONST_15  S10  C9   C11  C12   180.00   0.0  0
 D4F  CONST_16  S10  C9   C8   C14   180.00   0.0  0
 D4F  CONST_17  N34  C33  N29  C30   180.00   0.0  0
 D4F  CONST_18  C32  C33  N29  C30     0.00   0.0  0
 D4F  CONST_19  C33  C32  N31  C30     0.00   0.0  0
 D4F  CONST_20  C37  C32  N31  C30   180.00   0.0  0
 D4F  CONST_21  C35  N34  C33  C32     0.00   0.0  0
 D4F  CONST_22  N29  C30  N31  C32     0.00   0.0  0
 D4F  CONST_23  C35  N36  C37  C32     0.00   0.0  0
 D4F  CONST_24  N31  C30  N29  C33     0.00   0.0  0
 D4F  CONST_25  N36  C35  N34  C33     0.00   0.0  0
 D4F  CONST_26  N36  C37  C32  C33     0.00   0.0  0
 D4F  CONST_27  N29  C33  N34  C35   180.00   0.0  0
 D4F  CONST_28  N29  C33  C32  C37   180.00   0.0  0
 D4F  CONST_29  N34  C33  C32  C37     0.00   0.0  0
 D4F  CONST_30  N34  C35  N36  C37     0.00   0.0  0
 D4F  CONST_31  S10  C9   C8   N7      0.00   0.0  0
 D4F  CONST_32  N31  C32  C33  N29     0.00   0.0  0
 D4F  CONST_33  N34  C33  C32  N31   180.00   0.0  0
 D4F  CONST_34  N36  C37  C32  N31   180.00   0.0  0
 D4F  CONST_35  C9   S10  C6   C4    180.00   0.0  0
 D4F  CONST_36  C8   N7   C6   C4    180.00   0.0  0
 D4F  CONST_37  N34  C33  N29  C27     0.00   0.0  0
 D4F  CONST_38  C32  C33  N29  C27   180.00   0.0  0
 D4F  CONST_39  N31  C30  N29  C27   180.00   0.0  0
 D4F  CONST_40  O15  C12  C11  C9    180.00   0.0  0
 D4F  CONST_41  O15  C12  C13  C14   180.00   0.0  0
 D4F  CONST_42  N38  C37  C32  C33   180.00   0.0  0
 D4F  CONST_43  N38  C37  N36  C35   180.00   0.0  0
 D4F  CONST_44  N38  C37  C32  N31     0.00   0.0  0
 D4F  CONST_45  H8   C11  C12  C13   180.00   0.0  0
 D4F  CONST_46  H1   C13  C14  C8    180.00   0.0  0
 D4F  CONST_47  H9   C14  C8   C9    180.00   0.0  0
 D4F  CONST_48  H14  C30  N29  C27     0.00   0.0  0
 D4F  CONST_49  H15  C35  N34  C33   180.00   0.0  0
 D4F  CONST_50  H18  N38  C37  C32   180.00   0.0  0
 D4F  CONST_51  H19  N38  C37  C32     0.00   0.0  0
 D4F  Var_01    N3   C4   S5   C1     14.25  30.0  1
 D4F  Var_02    S5   C4   N3   C2      1.98  30.0  1
 D4F  Var_03    S10  C6   C4   N3     -2.51  30.0  2
 D4F  Var_04    H4   C1   S5   C4   -143.73  30.0  1
 D4F  Var_05    O21  P19  O18  C16  -179.71  30.0  1
 D4F  Var_06    H10  C23  O22  P19   -18.24  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
 D4F  chir_01  C24  C23  C25  O28  positiv
 D4F  chir_02  C26  O39  C27  C25  negativ
 D4F  chir_03  C2   N3   C16  C1   negativ
 D4F  chir_04  C25  O40  C24  C26  positiv
 D4F  chir_05  C27  O28  N29  C26  negativ
 D4F  chir_06  P19  O20  O22  O18  both

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
 D4F  plan-1  C37  0.020
 D4F  plan-1  N38  0.020
 D4F  plan-1  H18  0.020
 D4F  plan-1  H19  0.020
 D4F  plan-2  C13  0.020
 D4F  plan-2  C4   0.020
 D4F  plan-2  C6   0.020
 D4F  plan-2  C8   0.020
 D4F  plan-2  C9   0.020
 D4F  plan-2  C11  0.020
 D4F  plan-2  C12  0.020
 D4F  plan-2  C14  0.020
 D4F  plan-2  N7   0.020
 D4F  plan-2  O15  0.020
 D4F  plan-2  S10  0.020
 D4F  plan-2  H1   0.020
 D4F  plan-2  H8   0.020
 D4F  plan-2  H9   0.020
 D4F  plan-3  C27  0.020
 D4F  plan-3  C30  0.020
 D4F  plan-3  C32  0.020
 D4F  plan-3  C33  0.020
 D4F  plan-3  C35  0.020
 D4F  plan-3  C37  0.020
 D4F  plan-3  N29  0.020
 D4F  plan-3  N31  0.020
 D4F  plan-3  N34  0.020
 D4F  plan-3  N36  0.020
 D4F  plan-3  N38  0.020
 D4F  plan-3  H14  0.020
 D4F  plan-3  H15  0.020
 D4F  plan-4  C2   0.020
 D4F  plan-4  C16  0.020
 D4F  plan-4  O17  0.020
 D4F  plan-4  O18  0.020

