# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Fri Jul 23 08:15:05 2021
#   Inital geometry file: a 147 line input string
#   Ligand name: 7-{(1R)-1-phenyl-3-[(trans-4-phenylcyclohexyl)amino]propyl}-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: Nc1cc([C@H](CCN[C@H]2CC[C@@H](CC2)c3ccccc3)c4ccccc4)c5nn[nH]c5n1
#
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
 UFA  UFA  7-{(1R)-1-phenyl-3-[(trans-4-phenylcyclohexyl)amino]propyl}-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine  ligand  62  32  .  2022-03-23  2022-03-23
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as OK
;

data_comp_UFA
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
 UFA  C13  C  CR16  0  -0.271  165.9747  54.4088  39.1052
 UFA  C18  C  CH1   0  -0.337  161.7289  58.1074  46.3265
 UFA  C17  C  CH2   0  -0.412  163.1373  57.8659  45.7755
 UFA  C16  C  CH2   0  -0.448  163.1516  56.7486  44.7368
 UFA  C15  C  CR16  0  -0.298  164.6240  52.7869  40.2624
 UFA  C19  C  CH2   0  -0.415  161.1526  56.8007  46.8809
 UFA  C20  C  CH2   0  -0.441  161.1801  55.6844  45.8434
 UFA  C21  C  CR6   0   0.202  161.6987  59.2123  47.3522
 UFA  C22  C  CR16  0  -0.322  162.4478  59.1287  48.5266
 UFA  C23  C  CR16  0  -0.239  162.4139  60.1461  49.4698
 UFA  C24  C  CR16  0  -0.277  161.6257  61.2712  49.2584
 UFA  C11  C  CR16  0  -0.309  166.5106  53.7683  41.3625
 UFA  C12  C  CR16  0  -0.245  166.7830  54.5224  40.2279
 UFA  C1   C  CR16  0  -0.516  164.1053  49.7852  42.2329
 UFA  C2   C  CR6   0   0.497  164.2541  48.4007  41.8872
 UFA  N1   N  N     0  -0.489  165.4214  47.8302  41.6217
 UFA  C3   C  CR56  0   0.473  166.4510  48.6661  41.7040
 UFA  C4   C  CR56  0   0.024  166.4272  50.0185  42.0255
 UFA  C5   C  CR6   0   0.266  165.1846  50.6234  42.3085
 UFA  N2   N  NR15  0  -0.523  167.7615  48.4196  41.5109
 UFA  N3   N  N     0  -0.082  168.4853  49.5259  41.7010
 UFA  N4   N  N     0  -0.310  167.7020  50.4895  42.0092
 UFA  C6   C  CH1   0  -0.404  165.1117  52.0903  42.6407
 UFA  C7   C  CR6   0   0.171  165.4271  52.8973  41.3952
 UFA  C8   C  CH2   0  -0.437  163.7848  52.5201  43.2717
 UFA  C9   C  CH2   0  -0.258  163.8551  53.9248  43.8534
 UFA  N5   N  NH1   0  -0.607  162.5604  54.3254  44.3730
 UFA  C10  C  CH1   0  -0.055  162.5853  55.4434  45.3021
 UFA  C14  C  CR16  0  -0.241  164.8937  53.5361  39.1261
 UFA  N6   N  NH2   0  -0.836  163.1473  47.6337  41.7954
 UFA  C25  C  CR16  0  -0.237  160.8736  61.3670  48.0962
 UFA  C26  C  CR16  0  -0.342  160.9129  60.3452  47.1546
 UFA  H1   H  HCR6  0   0.254  166.1858  54.9941  38.2194
 UFA  H2   H  HCH1  0   0.231  161.0949  58.4184  45.4868
 UFA  H3   H  HCH2  0   0.216  163.8117  57.6022  46.5979
 UFA  H4   H  HCH2  0   0.234  163.5281  58.7891  45.3406
 UFA  H5   H  HCH2  0   0.234  164.1734  56.6000  44.3779
 UFA  H6   H  HCH2  0   0.208  162.5545  57.0452  43.8654
 UFA  H7   H  HCR6  0   0.250  163.7808  52.1056  40.2595
 UFA  H8   H  HCH2  0   0.235  160.1290  56.9640  47.2271
 UFA  H9   H  HCH2  0   0.216  161.7313  56.4920  47.7581
 UFA  H10  H  HCH2  0   0.211  160.5164  55.9448  45.0093
 UFA  H11  H  HCH2  0   0.231  160.7919  54.7594  46.2765
 UFA  H12  H  HCR6  0   0.244  163.0687  58.2597  48.7123
 UFA  H13  H  HCR6  0   0.251  163.0044  60.0606  50.3733
 UFA  H14  H  HCR6  0   0.252  161.5988  62.0647  49.9938
 UFA  H15  H  HCR6  0   0.248  167.1485  53.8596  42.2334
 UFA  H16  H  HCR6  0   0.254  167.6289  55.1977  40.2225
 UFA  H17  H  HCR6  0   0.275  163.1067  50.1466  42.4399
 UFA  H18  H  HNR5  0   0.426  168.2175  47.5549  41.2607
 UFA  H19  H  HCH1  0   0.268  165.9091  52.2825  43.3676
 UFA  H20  H  HCH2  0   0.228  162.9836  52.4703  42.5270
 UFA  H21  H  HCH2  0   0.239  163.5145  51.8271  44.0724
 UFA  H22  H  HCH2  0   0.220  164.5715  53.9280  44.6812
 UFA  H23  H  HCH2  0   0.206  164.2572  54.6183  43.1025
 UFA  H24  H  HNH1  0   0.332  161.9441  54.5496  43.5989
 UFA  H26  H  HCH1  0   0.209  163.2232  55.1378  46.1434
 UFA  H27  H  HCR6  0   0.254  164.2597  53.4362  38.2543
 UFA  H28  H  HNH2  0   0.394  163.2594  46.6356  41.7396
 UFA  H29  H  HNH2  0   0.403  162.2814  47.9591  42.1885
 UFA  H30  H  HCR6  0   0.251  160.2545  62.2375  47.9192
 UFA  H31  H  HCR6  0   0.244  160.3215  60.4298  46.2498

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
 UFA  C14  C13  aromatic  1.389  0.020  1.389
 UFA  C14  C15  aromatic  1.388  0.020  1.388
 UFA  C13  C12  aromatic  1.388  0.020  1.388
 UFA  N1   C2   aromatic  1.326  0.020  1.326
 UFA  N1   C3   aromatic  1.329  0.020  1.329
 UFA  N6   C2   single    1.350  0.020  1.350
 UFA  C12  C11  aromatic  1.389  0.020  1.389
 UFA  C15  C7   aromatic  1.393  0.020  1.393
 UFA  N2   C3   aromatic  1.347  0.020  1.347
 UFA  N2   N3   aromatic  1.336  0.020  1.336
 UFA  C2   C1   aromatic  1.435  0.020  1.435
 UFA  C3   C4   aromatic  1.390  0.020  1.390
 UFA  N3   N4   aromatic  1.279  0.020  1.279
 UFA  C11  C7   aromatic  1.391  0.020  1.391
 UFA  C7   C6   single    1.517  0.020  1.517
 UFA  C4   N4   aromatic  1.359  0.020  1.359
 UFA  C4   C5   aromatic  1.411  0.020  1.411
 UFA  C1   C5   aromatic  1.369  0.020  1.369
 UFA  C5   C6   single    1.506  0.020  1.506
 UFA  C6   C8   single    1.531  0.020  1.531
 UFA  C8   C9   single    1.522  0.020  1.522
 UFA  C9   N5   single    1.451  0.020  1.451
 UFA  N5   C10  single    1.454  0.020  1.454
 UFA  C16  C10  single    1.531  0.020  1.531
 UFA  C16  C17  single    1.526  0.020  1.526
 UFA  C20  C10  single    1.525  0.020  1.525
 UFA  C20  C19  single    1.524  0.020  1.524
 UFA  C26  C25  aromatic  1.390  0.020  1.390
 UFA  C26  C21  aromatic  1.393  0.020  1.393
 UFA  C25  C24  aromatic  1.388  0.020  1.388
 UFA  C18  C17  single    1.532  0.020  1.532
 UFA  C18  C19  single    1.532  0.020  1.532
 UFA  C18  C21  single    1.508  0.020  1.508
 UFA  C21  C22  aromatic  1.395  0.020  1.395
 UFA  C24  C23  aromatic  1.390  0.020  1.390
 UFA  C22  C23  aromatic  1.388  0.020  1.388
 UFA  C13  H1   single    0.930  0.020  1.080
 UFA  C18  H2   single    0.970  0.020  1.090
 UFA  C17  H3   single    0.970  0.020  1.090
 UFA  C17  H4   single    0.970  0.020  1.090
 UFA  C16  H5   single    0.970  0.020  1.090
 UFA  C16  H6   single    0.970  0.020  1.090
 UFA  C15  H7   single    0.930  0.020  1.080
 UFA  C19  H8   single    0.970  0.020  1.090
 UFA  C19  H9   single    0.970  0.020  1.090
 UFA  C20  H10  single    0.970  0.020  1.090
 UFA  C20  H11  single    0.970  0.020  1.090
 UFA  C22  H12  single    0.930  0.020  1.080
 UFA  C23  H13  single    0.930  0.020  1.080
 UFA  C24  H14  single    0.930  0.020  1.080
 UFA  C11  H15  single    0.930  0.020  1.080
 UFA  C12  H16  single    0.930  0.020  1.080
 UFA  C1   H17  single    0.930  0.020  1.080
 UFA  N2   H18  single    0.860  0.020  1.020
 UFA  C6   H19  single    0.970  0.020  1.090
 UFA  C8   H20  single    0.970  0.020  1.090
 UFA  C8   H21  single    0.970  0.020  1.090
 UFA  C9   H22  single    0.970  0.020  1.090
 UFA  C9   H23  single    0.970  0.020  1.090
 UFA  N5   H24  single    0.890  0.020  1.040
 UFA  C10  H26  single    0.970  0.020  1.090
 UFA  C14  H27  single    0.930  0.020  1.080
 UFA  N6   H28  single    0.890  0.020  1.040
 UFA  N6   H29  single    0.890  0.020  1.040
 UFA  C25  H30  single    0.930  0.020  1.080
 UFA  C26  H31  single    0.930  0.020  1.080

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
 UFA  H1   C13  C14  120.24  3.000
 UFA  H1   C13  C12  120.27  3.000
 UFA  C14  C13  C12  119.49  3.000
 UFA  H2   C18  C21  107.53  3.000
 UFA  H2   C18  C19  107.54  3.000
 UFA  C21  C18  C19  111.80  3.000
 UFA  H2   C18  C17  107.50  3.000
 UFA  C21  C18  C17  112.25  3.000
 UFA  C19  C18  C17  109.98  3.000
 UFA  H4   C17  H3   106.38  3.000
 UFA  H4   C17  C16  110.14  3.000
 UFA  H3   C17  C16  109.20  3.000
 UFA  H4   C17  C18  109.81  3.000
 UFA  H3   C17  C18  109.51  3.000
 UFA  C16  C17  C18  111.66  3.000
 UFA  H6   C16  H5   106.54  3.000
 UFA  H6   C16  C10  108.81  3.000
 UFA  H5   C16  C10  110.56  3.000
 UFA  H6   C16  C17  109.73  3.000
 UFA  H5   C16  C17  109.38  3.000
 UFA  C10  C16  C17  111.69  3.000
 UFA  H7   C15  C14  119.23  3.000
 UFA  H7   C15  C7   120.03  3.000
 UFA  C14  C15  C7   120.74  3.000
 UFA  H9   C19  H8   106.45  3.000
 UFA  H9   C19  C20  109.22  3.000
 UFA  H8   C19  C20  110.00  3.000
 UFA  H9   C19  C18  109.36  3.000
 UFA  H8   C19  C18  109.85  3.000
 UFA  C20  C19  C18  111.81  3.000
 UFA  H11  C20  H10  106.70  3.000
 UFA  H11  C20  C10  109.53  3.000
 UFA  H10  C20  C10  108.97  3.000
 UFA  H11  C20  C19  110.11  3.000
 UFA  H10  C20  C19  109.43  3.000
 UFA  C10  C20  C19  111.96  3.000
 UFA  C26  C21  C22  118.09  3.000
 UFA  C22  C21  C18  121.19  3.000
 UFA  C26  C21  C18  120.72  3.000
 UFA  H12  C22  C23  119.03  3.000
 UFA  H12  C22  C21  119.97  3.000
 UFA  C23  C22  C21  121.00  3.000
 UFA  H13  C23  C24  120.00  3.000
 UFA  H13  C23  C22  119.73  3.000
 UFA  C24  C23  C22  120.26  3.000
 UFA  H14  C24  C25  120.34  3.000
 UFA  H14  C24  C23  120.28  3.000
 UFA  C25  C24  C23  119.38  3.000
 UFA  H15  C11  C7   119.52  3.000
 UFA  H15  C11  C12  119.69  3.000
 UFA  C7   C11  C12  120.79  3.000
 UFA  H16  C12  C11  119.73  3.000
 UFA  H16  C12  C13  120.14  3.000
 UFA  C11  C12  C13  120.13  3.000
 UFA  H17  C1   C5   120.84  3.000
 UFA  H17  C1   C2   117.66  3.000
 UFA  C5   C1   C2   121.50  3.000
 UFA  N6   C2   N1   117.63  3.000
 UFA  N6   C2   C1   118.67  3.000
 UFA  N1   C2   C1   123.69  3.000
 UFA  C3   N1   C2   113.52  3.000
 UFA  N2   C3   C4   103.16  3.000
 UFA  C4   C3   N1   127.81  3.000
 UFA  N2   C3   N1   129.03  3.000
 UFA  N4   C4   C5   132.85  3.000
 UFA  C5   C4   C3   118.59  3.000
 UFA  N4   C4   C3   108.56  3.000
 UFA  C6   C5   C4   120.30  3.000
 UFA  C6   C5   C1   124.79  3.000
 UFA  C4   C5   C1   114.90  3.000
 UFA  H18  N2   N3   120.01  3.000
 UFA  H18  N2   C3   129.18  3.000
 UFA  N3   N2   C3   110.81  3.000
 UFA  N4   N3   N2   109.04  3.000
 UFA  N3   N4   C4   108.43  3.000
 UFA  H19  C6   C8   107.94  3.000
 UFA  H19  C6   C7   107.45  3.000
 UFA  C8   C6   C7   111.66  3.000
 UFA  H19  C6   C5   106.38  3.000
 UFA  C8   C6   C5   113.98  3.000
 UFA  C7   C6   C5   109.08  3.000
 UFA  C6   C7   C11  120.96  3.000
 UFA  C6   C7   C15  120.37  3.000
 UFA  C11  C7   C15  118.67  3.000
 UFA  H21  C8   H20  106.77  3.000
 UFA  H21  C8   C9   108.46  3.000
 UFA  H20  C8   C9   109.62  3.000
 UFA  H21  C8   C6   109.77  3.000
 UFA  H20  C8   C6   109.94  3.000
 UFA  C9   C8   C6   112.13  3.000
 UFA  H23  C9   H22  105.99  3.000
 UFA  H23  C9   N5   113.39  3.000
 UFA  H22  C9   N5   108.19  3.000
 UFA  H23  C9   C8   109.78  3.000
 UFA  H22  C9   C8   108.78  3.000
 UFA  N5   C9   C8   110.51  3.000
 UFA  H24  N5   C10  109.15  3.000
 UFA  H24  N5   C9   109.25  3.000
 UFA  C10  N5   C9   115.20  3.000
 UFA  H26  C10  N5   106.58  3.000
 UFA  H26  C10  C20  107.88  3.000
 UFA  N5   C10  C20  109.43  3.000
 UFA  H26  C10  C16  107.75  3.000
 UFA  C20  C10  C16  109.71  3.000
 UFA  N5   C10  C16  115.21  3.000
 UFA  H27  C14  C15  119.73  3.000
 UFA  H27  C14  C13  120.09  3.000
 UFA  C15  C14  C13  120.18  3.000
 UFA  H29  N6   H28  116.04  3.000
 UFA  H29  N6   C2   119.72  3.000
 UFA  H28  N6   C2   118.44  3.000
 UFA  H30  C25  C26  119.76  3.000
 UFA  H30  C25  C24  120.15  3.000
 UFA  C26  C25  C24  120.09  3.000
 UFA  H31  C26  C25  119.51  3.000
 UFA  H31  C26  C21  119.31  3.000
 UFA  C25  C26  C21  121.18  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
 UFA  CONST_01  C7   C15  C14  C13    0.00   0.0  0
 UFA  CONST_02  C7   C11  C12  C13    0.00   0.0  0
 UFA  CONST_03  C12  C13  C14  C15    0.00   0.0  0
 UFA  CONST_04  C12  C11  C7   C15    0.00   0.0  0
 UFA  CONST_05  C24  C25  C26  C21    0.00   0.0  0
 UFA  CONST_06  C24  C23  C22  C21    0.00   0.0  0
 UFA  CONST_07  C25  C26  C21  C22    0.00   0.0  0
 UFA  CONST_08  C25  C24  C23  C22    0.00   0.0  0
 UFA  CONST_09  C26  C25  C24  C23    0.00   0.0  0
 UFA  CONST_10  C26  C21  C22  C23    0.00   0.0  0
 UFA  CONST_11  C14  C13  C12  C11    0.00   0.0  0
 UFA  CONST_12  C14  C15  C7   C11    0.00   0.0  0
 UFA  CONST_13  C3   N1   C2   C1     0.00   0.0  0
 UFA  CONST_14  C3   C4   C5   C1     0.00   0.0  0
 UFA  CONST_15  N4   C4   C5   C1   180.00   0.0  0
 UFA  CONST_16  N2   C3   N1   C2   180.00   0.0  0
 UFA  CONST_17  C4   C3   N1   C2     0.00   0.0  0
 UFA  CONST_18  C4   C5   C1   C2     0.00   0.0  0
 UFA  CONST_19  C5   C1   C2   N1     0.00   0.0  0
 UFA  CONST_20  N3   N2   C3   N1   180.00   0.0  0
 UFA  CONST_21  N4   C4   C3   N1   180.00   0.0  0
 UFA  CONST_22  C5   C4   C3   N1     0.00   0.0  0
 UFA  CONST_23  N4   N3   N2   C3     0.00   0.0  0
 UFA  CONST_24  N3   N4   C4   C3     0.00   0.0  0
 UFA  CONST_25  N3   N2   C3   C4     0.00   0.0  0
 UFA  CONST_26  N2   N3   N4   C4     0.00   0.0  0
 UFA  CONST_27  N2   C3   C4   C5   180.00   0.0  0
 UFA  CONST_28  N3   N4   C4   C5   180.00   0.0  0
 UFA  CONST_29  N4   C4   C3   N2     0.00   0.0  0
 UFA  CONST_30  C25  C26  C21  C18  180.00   0.0  0
 UFA  CONST_31  C23  C22  C21  C18  180.00   0.0  0
 UFA  CONST_32  C6   C7   C11  C12  180.00   0.0  0
 UFA  CONST_33  C6   C5   C1   C2   180.00   0.0  0
 UFA  CONST_34  N6   C2   N1   C3   180.00   0.0  0
 UFA  CONST_35  C6   C5   C4   C3   180.00   0.0  0
 UFA  CONST_36  N6   C2   C1   C5   180.00   0.0  0
 UFA  CONST_37  C6   C5   C4   N4     0.00   0.0  0
 UFA  CONST_38  C14  C15  C7   C6   180.00   0.0  0
 UFA  CONST_39  H7   C15  C14  C13  180.00   0.0  0
 UFA  CONST_40  H15  C11  C12  C13  180.00   0.0  0
 UFA  CONST_41  H31  C26  C21  C18    0.00   0.0  0
 UFA  CONST_42  H12  C22  C21  C18    0.00   0.0  0
 UFA  CONST_43  H1   C13  C14  C15  180.00   0.0  0
 UFA  CONST_44  H30  C25  C26  C21  180.00   0.0  0
 UFA  CONST_45  H13  C23  C22  C21  180.00   0.0  0
 UFA  CONST_46  H14  C24  C23  C22  180.00   0.0  0
 UFA  CONST_47  H27  C14  C13  C12  180.00   0.0  0
 UFA  CONST_48  H17  C1   C2   N1   180.00   0.0  0
 UFA  CONST_49  H18  N2   C3   N1     0.00   0.0  0
 UFA  CONST_50  H16  C12  C11  C7   180.00   0.0  0
 UFA  CONST_51  H28  N6   C2   C1   180.00   0.0  0
 UFA  Var_01    C10  C16  C17  C18  -56.63  30.0  1
 UFA  Var_02    C10  C20  C19  C18   56.18  30.0  1
 UFA  Var_03    C10  N5   C9   C8   161.91  30.0  3
 UFA  Var_04    N5   C9   C8   C6   176.75  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
 UFA  chir_01  C18  C17  C19  C21  negativ
 UFA  chir_02  C6   C7   C5   C8   positiv
 UFA  chir_03  C10  N5   C16  C20  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
 UFA  plan-1  C13  0.020
 UFA  plan-1  C15  0.020
 UFA  plan-1  C11  0.020
 UFA  plan-1  C12  0.020
 UFA  plan-1  C6   0.020
 UFA  plan-1  C7   0.020
 UFA  plan-1  C14  0.020
 UFA  plan-1  H1   0.020
 UFA  plan-1  H7   0.020
 UFA  plan-1  H15  0.020
 UFA  plan-1  H16  0.020
 UFA  plan-1  H27  0.020
 UFA  plan-2  C18  0.020
 UFA  plan-2  C21  0.020
 UFA  plan-2  C22  0.020
 UFA  plan-2  C23  0.020
 UFA  plan-2  C24  0.020
 UFA  plan-2  C25  0.020
 UFA  plan-2  C26  0.020
 UFA  plan-2  H12  0.020
 UFA  plan-2  H13  0.020
 UFA  plan-2  H14  0.020
 UFA  plan-2  H30  0.020
 UFA  plan-2  H31  0.020
 UFA  plan-3  C1   0.020
 UFA  plan-3  C2   0.020
 UFA  plan-3  N1   0.020
 UFA  plan-3  C3   0.020
 UFA  plan-3  C4   0.020
 UFA  plan-3  C5   0.020
 UFA  plan-3  N2   0.020
 UFA  plan-3  N3   0.020
 UFA  plan-3  N4   0.020
 UFA  plan-3  C6   0.020
 UFA  plan-3  N6   0.020
 UFA  plan-3  H17  0.020
 UFA  plan-3  H18  0.020
 UFA  plan-4  C2   0.020
 UFA  plan-4  N6   0.020
 UFA  plan-4  H28  0.020
 UFA  plan-4  H29  0.020

