# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Fri Jul 30 15:18:15 2021
#   Inital geometry file: a 164 line input string
#   Ligand name: a 2 line input string
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: CCC(=O)NCCCNC1=NC(=O)c2ncn([C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O)c2N1
#
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
 2UJ  2UJ  'N-[3-(propanoylamino)propyl]guanosine 5'-(tetrahydrogen triphosphate)'  ligand  67  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 OK
;

data_comp_2UJ
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
 2UJ  OAB  O  O     0  -0.505  17.4745   -5.9064  -8.7490
 2UJ  CBB  C  C     0   0.556  16.5395   -6.6846  -8.6148
 2UJ  CAN  C  CH2   0  -0.567  16.7080   -8.1815  -8.7726
 2UJ  CAA  C  CH3   0  -0.661  18.0324   -8.6838  -8.2181
 2UJ  NAU  N  NH1   0  -0.632  15.2887   -6.2708  -8.3477
 2UJ  CAP  C  CH2   0  -0.312  14.9249   -4.8774  -8.2126
 2UJ  CAO  C  CH2   0  -0.476  15.2827   -4.2759  -6.8584
 2UJ  CAQ  C  CH2   0  -0.283  14.6020   -5.0008  -5.7096
 2UJ  N2   N  NH1   0  -0.660  14.9285   -4.3575  -4.4544
 2UJ  C2   C  CR6   0   0.725  14.6136   -4.8065  -3.2341
 2UJ  N3   N  NR16  0  -0.760  14.0163   -6.0359  -3.1603
 2UJ  N1   N  N     0  -0.554  14.8942   -4.0709  -2.1892
 2UJ  C6   C  CR6   0   0.413  14.6185   -4.4628  -0.9039
 2UJ  O6   O  O     0  -0.494  14.8874   -3.7460   0.0532
 2UJ  C5   C  CR56  0  -0.111  13.9987   -5.7656  -0.7821
 2UJ  C4   C  CR56  0   0.632  13.7266   -6.4855  -1.9119
 2UJ  N7   N  N     0  -0.437  13.5964   -6.4753   0.3197
 2UJ  C8   C  CR15  0   0.091  13.1075   -7.5827  -0.1425
 2UJ  N9   N  NR5   0  -0.534  13.1562   -7.6487  -1.5192
 2UJ  C1'  C  CH1   0   0.179  12.7377   -8.7524  -2.3503
 2UJ  O4'  O  O2    0  -0.487  11.4552   -9.1469  -1.9722
 2UJ  C2'  C  CH1   0  -0.002  13.6242   -9.9974  -2.2117
 2UJ  O2'  O  OH1   0  -0.650  14.7710   -9.9434  -2.9977
 2UJ  C3'  C  CH1   0  -0.046  12.6558  -11.0924  -2.6406
 2UJ  O3'  O  OH1   0  -0.664  12.6614  -11.1381  -4.0419
 2UJ  C4'  C  CH1   0  -0.025  11.3172  -10.5639  -2.0918
 2UJ  C5'  C  CH2   0  -0.207  10.8785  -11.1486  -0.7714
 2UJ  O5'  O  O2    0  -0.569  11.8952  -10.8913   0.2113
 2UJ  PA   P  P     0   1.539  11.9477  -11.6351   1.6002
 2UJ  O1A  O  OH1   0  -0.703  13.1489  -10.9358   2.3375
 2UJ  O2A  O  O     0  -0.706  11.9454  -13.1175   1.5339
 2UJ  O3A  O  O2    0  -0.685  10.6700  -11.0167   2.3621
 2UJ  PB   P  P     0   1.511   9.9048  -11.5207   3.7052
 2UJ  O1B  O  O     0  -0.640   8.8988  -10.5384   4.1108
 2UJ  O2B  O  OH1   0  -0.733  11.0567  -11.9224   4.7101
 2UJ  O3B  O  O2    0  -0.700   9.3279  -12.9343   3.2558
 2UJ  PG   P  P     0   1.465   9.6275  -14.5179   3.5892
 2UJ  O1G  O  O     0  -0.676   8.7295  -15.3271   2.7532
 2UJ  O2G  O  OH1   0  -0.762  11.1813  -14.6809   3.4401
 2UJ  O3G  O  OH1   0  -0.724   9.4760  -14.6485   5.1610
 2UJ  H1   H  HCH2  0   0.248  15.8751   -8.7132  -8.3080
 2UJ  H2   H  HCH2  0   0.268  16.6491   -8.4022  -9.8431
 2UJ  H3   H  HCH3  0   0.235  18.1293   -9.7560  -8.3840
 2UJ  H4   H  HCH3  0   0.229  18.8774   -8.1943  -8.6995
 2UJ  H5   H  HCH3  0   0.228  18.1080   -8.5071  -7.1448
 2UJ  H6   H  HNH1  0   0.402  14.5637   -6.9607  -8.2450
 2UJ  H7   H  HCH2  0   0.259  15.4034   -4.2962  -9.0015
 2UJ  H8   H  HCH2  0   0.257  13.8489   -4.8080  -8.3745
 2UJ  H9   H  HCH2  0   0.251  16.3649   -4.2934  -6.7157
 2UJ  H10  H  HCH2  0   0.251  14.9757   -3.2265  -6.8635
 2UJ  H11  H  HCH2  0   0.249  13.5171   -5.0140  -5.8682
 2UJ  H12  H  HCH2  0   0.245  14.9456   -6.0391  -5.6943
 2UJ  H13  H  HNH1  0   0.408  15.2963   -3.4195  -4.4764
 2UJ  H14  H  HNR6  0   0.448  13.7911   -6.5651  -3.9898
 2UJ  H15  H  HCR5  0   0.291  12.6878   -8.3814   0.4482
 2UJ  H16  H  HCH1  0   0.255  12.7594   -8.4030  -3.3900
 2UJ  H17  H  HCH1  0   0.260  13.8643  -10.1461  -1.1535
 2UJ  H18  H  HOH1  0   0.466  15.4802   -9.5492  -2.4818
 2UJ  H19  H  HCH1  0   0.263  12.9116  -12.0640  -2.2018
 2UJ  H20  H  HOH1  0   0.461  12.0769  -11.8472  -4.3276
 2UJ  H21  H  HCH1  0   0.282  10.5127  -10.7875  -2.8011
 2UJ  H22  H  HCH2  0   0.280   9.9423  -10.6910  -0.4470
 2UJ  H23  H  HCH2  0   0.268  10.7194  -12.2222  -0.8918
 2UJ  H24  H  HOH1  0   0.521  13.9793  -11.4340   2.3452
 2UJ  H25  H  HOH1  0   0.519  11.3727  -11.2121   5.2884
 2UJ  H26  H  HOH1  0   0.504  11.5829  -14.1882   2.6701
 2UJ  H27  H  HOH1  0   0.508   8.5909  -14.9067   5.4534

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
 2UJ  OAB  CBB  double    1.224  0.020  1.224
 2UJ  CAN  CBB  single    1.515  0.020  1.515
 2UJ  CAN  CAA  single    1.521  0.020  1.521
 2UJ  CBB  NAU  single    1.344  0.020  1.344
 2UJ  NAU  CAP  single    1.446  0.020  1.446
 2UJ  CAP  CAO  single    1.524  0.020  1.524
 2UJ  CAO  CAQ  single    1.519  0.020  1.519
 2UJ  CAQ  N2   single    1.448  0.020  1.448
 2UJ  N2   C2   single    1.338  0.020  1.338
 2UJ  O3'  C3'  single    1.402  0.020  1.402
 2UJ  C2   N3   single    1.369  0.020  1.369
 2UJ  C2   N1   double    1.308  0.020  1.308
 2UJ  N3   C4   single    1.358  0.020  1.358
 2UJ  O2'  C2'  single    1.391  0.020  1.391
 2UJ  C3'  C2'  single    1.523  0.020  1.523
 2UJ  C3'  C4'  single    1.540  0.020  1.540
 2UJ  N1   C6   single    1.372  0.020  1.372
 2UJ  C1'  C2'  single    1.535  0.020  1.535
 2UJ  C1'  O4'  single    1.394  0.020  1.394
 2UJ  C1'  N9   single    1.444  0.020  1.444
 2UJ  C4'  O4'  single    1.429  0.020  1.429
 2UJ  C4'  C5'  single    1.509  0.020  1.509
 2UJ  C4   N9   aromatic  1.354  0.020  1.354
 2UJ  C4   C5   aromatic  1.367  0.020  1.367
 2UJ  N9   C8   aromatic  1.379  0.020  1.379
 2UJ  C6   C5   single    1.448  0.020  1.448
 2UJ  C6   O6   double    1.226  0.020  1.226
 2UJ  C5   N7   aromatic  1.371  0.020  1.371
 2UJ  C5'  O5'  single    1.437  0.020  1.437
 2UJ  C8   N7   aromatic  1.296  0.020  1.296
 2UJ  O5'  PA   single    1.576  0.020  1.576
 2UJ  O2A  PA   double    1.484  0.020  1.484
 2UJ  PA   O3A  single    1.611  0.020  1.611
 2UJ  PA   O1A  single    1.573  0.020  1.573
 2UJ  O3A  PB   single    1.626  0.020  1.626
 2UJ  O1G  PG   double    1.470  0.020  1.470
 2UJ  O3B  PB   single    1.592  0.020  1.592
 2UJ  O3B  PG   single    1.646  0.020  1.646
 2UJ  PB   O1B  double    1.463  0.020  1.463
 2UJ  PB   O2B  single    1.581  0.020  1.581
 2UJ  PG   O2G  single    1.569  0.020  1.569
 2UJ  PG   O3G  single    1.584  0.020  1.584
 2UJ  CAN  H1   single    0.970  0.020  1.090
 2UJ  CAN  H2   single    0.970  0.020  1.090
 2UJ  CAA  H3   single    0.970  0.020  1.090
 2UJ  CAA  H4   single    0.970  0.020  1.090
 2UJ  CAA  H5   single    0.970  0.020  1.090
 2UJ  NAU  H6   single    0.860  0.020  1.020
 2UJ  CAP  H7   single    0.970  0.020  1.090
 2UJ  CAP  H8   single    0.970  0.020  1.090
 2UJ  CAO  H9   single    0.970  0.020  1.090
 2UJ  CAO  H10  single    0.970  0.020  1.090
 2UJ  CAQ  H11  single    0.970  0.020  1.090
 2UJ  CAQ  H12  single    0.970  0.020  1.090
 2UJ  N2   H13  single    0.860  0.020  1.020
 2UJ  N3   H14  single    0.860  0.020  1.020
 2UJ  C8   H15  single    0.930  0.020  1.080
 2UJ  C1'  H16  single    0.970  0.020  1.090
 2UJ  C2'  H17  single    0.970  0.020  1.090
 2UJ  O2'  H18  single    0.850  0.020  0.980
 2UJ  C3'  H19  single    0.970  0.020  1.090
 2UJ  O3'  H20  single    0.850  0.020  0.980
 2UJ  C4'  H21  single    0.970  0.020  1.090
 2UJ  C5'  H22  single    0.970  0.020  1.090
 2UJ  C5'  H23  single    0.970  0.020  1.090
 2UJ  O1A  H24  single    0.850  0.020  0.980
 2UJ  O2B  H25  single    0.850  0.020  0.980
 2UJ  O2G  H26  single    0.850  0.020  0.980
 2UJ  O3G  H27  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
 2UJ  NAU  CBB  CAN  115.37  3.000
 2UJ  NAU  CBB  OAB  122.47  3.000
 2UJ  CAN  CBB  OAB  122.14  3.000
 2UJ  H2   CAN  H1   106.07  3.000
 2UJ  H2   CAN  CAA  109.68  3.000
 2UJ  H1   CAN  CAA  110.38  3.000
 2UJ  H2   CAN  CBB  107.17  3.000
 2UJ  H1   CAN  CBB  110.62  3.000
 2UJ  CAA  CAN  CBB  112.66  3.000
 2UJ  H5   CAA  H4   107.98  3.000
 2UJ  H5   CAA  H3   107.65  3.000
 2UJ  H4   CAA  H3   107.83  3.000
 2UJ  H5   CAA  CAN  111.45  3.000
 2UJ  H4   CAA  CAN  111.47  3.000
 2UJ  H3   CAA  CAN  110.30  3.000
 2UJ  H6   NAU  CAP  118.02  3.000
 2UJ  H6   NAU  CBB  118.67  3.000
 2UJ  CAP  NAU  CBB  123.31  3.000
 2UJ  H8   CAP  H7   106.96  3.000
 2UJ  H8   CAP  CAO  109.78  3.000
 2UJ  H7   CAP  CAO  109.23  3.000
 2UJ  H8   CAP  NAU  107.20  3.000
 2UJ  H7   CAP  NAU  109.60  3.000
 2UJ  CAO  CAP  NAU  113.83  3.000
 2UJ  H10  CAO  H9   107.12  3.000
 2UJ  H10  CAO  CAQ  109.61  3.000
 2UJ  H9   CAO  CAQ  109.74  3.000
 2UJ  H10  CAO  CAP  107.98  3.000
 2UJ  H9   CAO  CAP  110.03  3.000
 2UJ  CAQ  CAO  CAP  112.23  3.000
 2UJ  H12  CAQ  H11  107.55  3.000
 2UJ  H12  CAQ  N2   109.80  3.000
 2UJ  H11  CAQ  N2   110.72  3.000
 2UJ  H12  CAQ  CAO  108.83  3.000
 2UJ  H11  CAQ  CAO  109.86  3.000
 2UJ  N2   CAQ  CAO  110.03  3.000
 2UJ  H13  N2   C2   114.72  3.000
 2UJ  H13  N2   CAQ  118.49  3.000
 2UJ  C2   N2   CAQ  126.06  3.000
 2UJ  N1   C2   N3   123.74  3.000
 2UJ  N1   C2   N2   119.30  3.000
 2UJ  N3   C2   N2   116.96  3.000
 2UJ  H14  N3   C4   122.29  3.000
 2UJ  H14  N3   C2   121.59  3.000
 2UJ  C4   N3   C2   116.10  3.000
 2UJ  C6   N1   C2   123.00  3.000
 2UJ  C5   C6   O6   123.68  3.000
 2UJ  O6   C6   N1   121.36  3.000
 2UJ  C5   C6   N1   114.96  3.000
 2UJ  N7   C5   C4   109.46  3.000
 2UJ  N7   C5   C6   131.23  3.000
 2UJ  C4   C5   C6   119.31  3.000
 2UJ  N9   C4   C5   107.25  3.000
 2UJ  C5   C4   N3   122.88  3.000
 2UJ  N9   C4   N3   129.87  3.000
 2UJ  C8   N7   C5   105.45  3.000
 2UJ  H15  C8   N9   121.68  3.000
 2UJ  H15  C8   N7   125.76  3.000
 2UJ  N9   C8   N7   112.56  3.000
 2UJ  C1'  N9   C8   126.94  3.000
 2UJ  C8   N9   C4   105.27  3.000
 2UJ  C1'  N9   C4   127.73  3.000
 2UJ  H16  C1'  C2'  109.42  3.000
 2UJ  H16  C1'  O4'  111.43  3.000
 2UJ  C2'  C1'  O4'  106.10  3.000
 2UJ  H16  C1'  N9   107.24  3.000
 2UJ  O4'  C1'  N9   109.08  3.000
 2UJ  C2'  C1'  N9   113.63  3.000
 2UJ  C4'  O4'  C1'  110.29  3.000
 2UJ  H17  C2'  C3'  108.28  3.000
 2UJ  H17  C2'  O2'  111.74  3.000
 2UJ  C3'  C2'  O2'  113.13  3.000
 2UJ  H17  C2'  C1'  108.91  3.000
 2UJ  C3'  C2'  C1'  100.98  3.000
 2UJ  O2'  C2'  C1'  113.18  3.000
 2UJ  H18  O2'  C2'  108.71  3.000
 2UJ  H19  C3'  C4'  111.36  3.000
 2UJ  H19  C3'  O3'  111.73  3.000
 2UJ  C4'  C3'  O3'  111.76  3.000
 2UJ  H19  C3'  C2'  112.09  3.000
 2UJ  C4'  C3'  C2'  101.86  3.000
 2UJ  O3'  C3'  C2'  107.59  3.000
 2UJ  H20  O3'  C3'  108.56  3.000
 2UJ  H21  C4'  C5'  105.89  3.000
 2UJ  H21  C4'  C3'  109.73  3.000
 2UJ  C5'  C4'  C3'  115.56  3.000
 2UJ  H21  C4'  O4'  109.12  3.000
 2UJ  C5'  C4'  O4'  109.82  3.000
 2UJ  C3'  C4'  O4'  106.63  3.000
 2UJ  H23  C5'  H22  108.67  3.000
 2UJ  H23  C5'  O5'  110.76  3.000
 2UJ  H22  C5'  O5'  109.18  3.000
 2UJ  H23  C5'  C4'  109.07  3.000
 2UJ  H22  C5'  C4'  110.30  3.000
 2UJ  O5'  C5'  C4'  108.85  3.000
 2UJ  PA   O5'  C5'  122.78  3.000
 2UJ  O3A  PA   O2A  113.79  3.000
 2UJ  O3A  PA   O1A  102.31  3.000
 2UJ  O2A  PA   O1A  117.79  3.000
 2UJ  O1A  PA   O5'  103.22  3.000
 2UJ  O3A  PA   O5'  102.07  3.000
 2UJ  O2A  PA   O5'  115.59  3.000
 2UJ  H24  O1A  PA   115.45  3.000
 2UJ  PB   O3A  PA   130.16  3.000
 2UJ  O3B  PB   O2B  102.59  3.000
 2UJ  O2B  PB   O1B  119.70  3.000
 2UJ  O3B  PB   O1B  115.17  3.000
 2UJ  O2B  PB   O3A  105.13  3.000
 2UJ  O1B  PB   O3A  110.14  3.000
 2UJ  O3B  PB   O3A  102.28  3.000
 2UJ  H25  O2B  PB   115.52  3.000
 2UJ  PG   O3B  PB   137.01  3.000
 2UJ  O3G  PG   O2G  100.39  3.000
 2UJ  O3G  PG   O1G  117.41  3.000
 2UJ  O2G  PG   O1G  119.58  3.000
 2UJ  O3G  PG   O3B  105.24  3.000
 2UJ  O2G  PG   O3B  105.13  3.000
 2UJ  O1G  PG   O3B  107.65  3.000
 2UJ  H26  O2G  PG   114.85  3.000
 2UJ  H27  O3G  PG   114.17  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
 2UJ  CONST_01  C8   N9   C4   C5      0.00   0.0  0
 2UJ  CONST_02  N9   C8   N7   C5      0.00   0.0  0
 2UJ  CONST_03  N7   C8   N9   C4      0.00   0.0  0
 2UJ  CONST_04  C8   N7   C5   C4      0.00   0.0  0
 2UJ  CONST_05  N9   C4   C5   N7      0.00   0.0  0
 2UJ  CONST_06  C1'  N9   C4   N3      0.00   0.0  0
 2UJ  CONST_07  C1'  N9   C4   C5    180.00   0.0  0
 2UJ  CONST_08  C1'  N9   C8   N7    180.00   0.0  0
 2UJ  CONST_09  C6   N1   C2   N3      0.00   0.0  0
 2UJ  CONST_10  C4   N3   C2   N1      0.00   0.0  0
 2UJ  CONST_11  C4   N3   C2   N2    180.00   0.0  0
 2UJ  CONST_12  C6   N1   C2   N2    180.00   0.0  0
 2UJ  CONST_13  H15  C8   N7   C5    180.00   0.0  0
 2UJ  CONST_14  H14  N3   C2   N1    180.00   0.0  0
 2UJ  CONST_15  N3   C2   N2   CAQ     0.00   0.0  0
 2UJ  CONST_16  N1   C2   N2   CAQ   180.00   0.0  0
 2UJ  CONST_17  H13  N2   C2   N3    180.00   0.0  0
 2UJ  CONST_18  CAP  NAU  CBB  OAB     0.00   0.0  0
 2UJ  CONST_19  CAP  NAU  CBB  CAN   180.00   0.0  0
 2UJ  CONST_20  H6   NAU  CBB  OAB   180.00   0.0  0
 2UJ  Var_01    C2   N2   CAQ  CAO  -172.84  30.0  3
 2UJ  Var_02    CAA  CAN  CBB  OAB    37.47  30.0  2
 2UJ  Var_03    CAO  CAP  NAU  CBB   -79.27  30.0  3
 2UJ  Var_04    CAQ  CAO  CAP  NAU   -59.55  30.0  3
 2UJ  Var_05    N2   CAQ  CAO  CAP  -177.58  30.0  3
 2UJ  Var_06    O2A  PA   O5'  C5'    54.11  30.0  3
 2UJ  Var_07    O3B  PB   O3A  PA    -64.27  30.0  3
 2UJ  Var_08    O1G  PG   O3B  PB   -177.66  30.0  3
 2UJ  Var_09    H3   CAA  CAN  CBB  -177.93  30.0  3
 2UJ  Var_10    H22  C5'  O5'  PA     74.42  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
 2UJ  chir_01  C1'  C2'  O4'  N9   negativ
 2UJ  chir_02  C2'  O2'  C3'  C1'  positiv
 2UJ  chir_03  C3'  O3'  C4'  C2'  positiv
 2UJ  chir_04  C4'  O4'  C3'  C5'  negativ
 2UJ  chir_05  PA   O2A  O3A  O1A  both
 2UJ  chir_06  PB   O3B  O1B  O2B  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
 2UJ  plan-1  CAQ  0.020
 2UJ  plan-1  N2   0.020
 2UJ  plan-1  C2   0.020
 2UJ  plan-1  N3   0.020
 2UJ  plan-1  N1   0.020
 2UJ  plan-1  C6   0.020
 2UJ  plan-1  O6   0.020
 2UJ  plan-1  C5   0.020
 2UJ  plan-1  C4   0.020
 2UJ  plan-1  N7   0.020
 2UJ  plan-1  C8   0.020
 2UJ  plan-1  N9   0.020
 2UJ  plan-1  C1'  0.020
 2UJ  plan-1  H13  0.020
 2UJ  plan-1  H14  0.020
 2UJ  plan-1  H15  0.020
 2UJ  plan-2  OAB  0.020
 2UJ  plan-2  CBB  0.020
 2UJ  plan-2  CAN  0.020
 2UJ  plan-2  NAU  0.020
 2UJ  plan-2  CAP  0.020
 2UJ  plan-2  H6   0.020

