# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Sat Apr  4 23:16:38 2020
#   Inital geometry file: a 154 line input string
#   Ligand name: 4-(4-ethylpiperazin-1-yl)-N-[6-(3-methoxyphenyl)-2H-indazol-3-yl]benzamide
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: CCN1CCN(CC1)c2ccc(cc2)C(=O)Nc3[nH]nc4cc(ccc34)c5cccc(OC)c5
#
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
 4UT  4UT  4-(4-ethylpiperazin-1-yl)-N-[6-(3-methoxyphenyl)-2H-indazol-3-yl]benzamide  ligand  63  34  .  2021-08-04  2021-08-04  
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as PERFECT
;

data_comp_4UT
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
 4UT  C10  C  CR6   0  -0.105   -2.3778  -1.2790  -0.4731
 4UT  C17  C  CR56  0   0.277    3.5331  -1.9144  -0.3549
 4UT  C20  C  CR6   0   0.105    6.5926   0.1675   0.3256
 4UT  C21  C  CR16  0  -0.334    7.5244  -0.6846   0.9264
 4UT  C22  C  CR16  0  -0.227    8.8375  -0.2755   1.0727
 4UT  C24  C  CR6   0   0.406    8.3356   1.8274   0.0336
 4UT  C26  C  CH3   0  -0.437    9.9614   3.5150  -0.3458
 4UT  C28  C  CR16  0  -0.324    4.1391   0.7011   0.3555
 4UT  C01  C  CH3   0  -0.682  -11.2635   1.7452  -0.2155
 4UT  N03  N  NT    0  -0.417   -8.7813   1.7230  -0.0736
 4UT  C04  C  CH2   0  -0.284   -7.6247   2.4010   0.4686
 4UT  C05  C  CH2   0  -0.311   -6.3402   1.9281  -0.1840
 4UT  N06  N  NT    0  -0.520   -6.1936   0.4856  -0.0915
 4UT  C07  C  CR6   0   0.412   -4.9573  -0.0849  -0.2503
 4UT  C08  C  CR16  0  -0.347   -4.7886  -1.4839  -0.3362
 4UT  C09  C  CR16  0  -0.244   -3.5398  -2.0527  -0.4437
 4UT  C11  C  C     0   0.563   -1.0801  -1.9663  -0.5876
 4UT  O12  O  O     0  -0.479   -0.9845  -3.1472  -0.8943
 4UT  N13  N  NH1   0  -0.758    0.0316  -1.2205  -0.3184
 4UT  C14  C  CR5   0   0.631    1.3299  -1.6693  -0.3868
 4UT  N15  N  NR15  0  -0.480    1.7148  -2.9097  -0.7024
 4UT  N16  N  N     0  -0.328    3.0370  -3.1019  -0.6974
 4UT  C18  C  CR16  0  -0.366    4.8888  -1.5462  -0.1992
 4UT  C19  C  CR6   0   0.071    5.1859  -0.2536   0.1526
 4UT  C23  C  CR16  0  -0.394    9.2592   0.9743   0.6323
 4UT  O25  O  O2    0  -0.473    8.6285   3.0537  -0.4396
 4UT  C27  C  CR16  0  -0.412    7.0090   1.4192  -0.1125
 4UT  C29  C  CR16  0  -0.292    2.8221   0.3700   0.2150
 4UT  C30  C  CR56  0  -0.186    2.5061  -0.9549  -0.1456
 4UT  C31  C  CR16  0  -0.280   -2.5357   0.1061  -0.4191
 4UT  C32  C  CR16  0  -0.352   -3.7812   0.6908  -0.3202
 4UT  C33  C  CH2   0  -0.306   -7.3878  -0.2380  -0.5001
 4UT  C34  C  CH2   0  -0.290   -8.6343   0.3044   0.1703
 4UT  H1   H  HCR6  0   0.251    7.2165  -1.6528   1.2989
 4UT  H2   H  HCR6  0   0.260    9.5543  -0.9340   1.5461
 4UT  H3   H  HCH3  0   0.259    9.9803   4.4999  -0.8059
 4UT  H4   H  HCH3  0   0.228   10.2903   3.6063   0.6927
 4UT  H5   H  HCH3  0   0.228   10.6585   2.8636  -0.8793
 4UT  H6   H  HCR6  0   0.254    4.4030   1.7076   0.6519
 4UT  H7   H  HCH3  0   0.224  -11.2114   1.9027  -1.2933
 4UT  H8   H  HCH3  0   0.228  -11.4253   0.6823  -0.0359
 4UT  H9   H  HCH3  0   0.235  -12.1395   2.2733   0.1612
 4UT  H10  H  HCH2  0   0.229   -9.9722   3.3548   0.3406
 4UT  H11  H  HCH2  0   0.190  -10.0872   2.0923   1.5566
 4UT  H13  H  HCH2  0   0.246   -7.7153   3.4748   0.2912
 4UT  H14  H  HCH2  0   0.198   -7.5459   2.2607   1.5609
 4UT  H15  H  HCH2  0   0.229   -6.3118   2.2540  -1.2324
 4UT  H16  H  HCH2  0   0.259   -5.5207   2.4200   0.3358
 4UT  H17  H  HCR6  0   0.271   -5.6364  -2.1511  -0.3087
 4UT  H18  H  HCR6  0   0.260   -3.4679  -3.1309  -0.4970
 4UT  H19  H  HNH1  0   0.436   -0.0779  -0.2760   0.0155
 4UT  H20  H  HNR5  0   0.432    1.0893  -3.6680  -0.9329
 4UT  H21  H  HCR6  0   0.256    5.6696  -2.2750  -0.3780
 4UT  H22  H  HCR6  0   0.279   10.2941   1.2589   0.7642
 4UT  H23  H  HCR6  0   0.259    6.3100   2.0905  -0.5975
 4UT  H24  H  HCR6  0   0.255    2.0507   1.1109   0.3842
 4UT  H25  H  HCR6  0   0.254   -1.6883   0.7773  -0.4866
 4UT  H26  H  HCR6  0   0.274   -3.8220   1.7690  -0.3121
 4UT  H27  H  HCH2  0   0.230   -7.5059  -0.1875  -1.5905
 4UT  H28  H  HCH2  0   0.262   -7.3076  -1.2870  -0.2301
 4UT  H29  H  HCH2  0   0.197   -8.5955   0.0809   1.2511
 4UT  H30  H  HCH2  0   0.251   -9.4855  -0.2403  -0.2398
 4UT  C02  C  CH2   0  -0.270  -10.0132   2.2701   0.4701

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
 4UT  C26  O25  single    1.414  0.020  1.414
 4UT  C23  C22  aromatic  1.391  0.020  1.391
 4UT  C23  C24  aromatic  1.393  0.020  1.393
 4UT  C22  C21  aromatic  1.383  0.020  1.383
 4UT  O25  C24  single    1.347  0.020  1.347
 4UT  C24  C27  aromatic  1.396  0.020  1.396
 4UT  C21  C20  aromatic  1.398  0.020  1.398
 4UT  C27  C20  aromatic  1.390  0.020  1.390
 4UT  C20  C19  single    1.479  0.020  1.479
 4UT  C19  C18  aromatic  1.372  0.020  1.372
 4UT  C19  C28  aromatic  1.431  0.020  1.431
 4UT  C18  C17  aromatic  1.413  0.020  1.413
 4UT  C28  C29  aromatic  1.365  0.020  1.365
 4UT  C17  N16  aromatic  1.332  0.020  1.332
 4UT  C17  C30  aromatic  1.421  0.020  1.421
 4UT  C29  C30  aromatic  1.409  0.020  1.409
 4UT  N16  N15  aromatic  1.336  0.020  1.336
 4UT  C30  C14  aromatic  1.397  0.020  1.397
 4UT  N15  C14  aromatic  1.337  0.020  1.337
 4UT  C14  N13  single    1.375  0.020  1.375
 4UT  O12  C11  double    1.224  0.020  1.224
 4UT  N13  C11  single    1.366  0.020  1.366
 4UT  C11  C10  single    1.473  0.020  1.473
 4UT  C10  C09  aromatic  1.396  0.020  1.396
 4UT  C10  C31  aromatic  1.395  0.020  1.395
 4UT  C09  C08  aromatic  1.376  0.020  1.376
 4UT  C31  C32  aromatic  1.379  0.020  1.379
 4UT  C08  C07  aromatic  1.412  0.020  1.412
 4UT  C32  C07  aromatic  1.411  0.020  1.411
 4UT  C07  N06  single    1.371  0.020  1.371
 4UT  C33  N06  single    1.455  0.020  1.455
 4UT  C33  C34  single    1.516  0.020  1.516
 4UT  N06  C05  single    1.453  0.020  1.453
 4UT  C05  C04  single    1.516  0.020  1.516
 4UT  C34  N03  single    1.447  0.020  1.447
 4UT  N03  C04  single    1.446  0.020  1.446
 4UT  N03  C02  single    1.453  0.020  1.453
 4UT  C02  C01  single    1.519  0.020  1.519
 4UT  C21  H1   single    0.930  0.020  1.080
 4UT  C22  H2   single    0.930  0.020  1.080
 4UT  C26  H3   single    0.970  0.020  1.090
 4UT  C26  H4   single    0.970  0.020  1.090
 4UT  C26  H5   single    0.970  0.020  1.090
 4UT  C28  H6   single    0.930  0.020  1.080
 4UT  C01  H7   single    0.970  0.020  1.090
 4UT  C01  H8   single    0.970  0.020  1.090
 4UT  C01  H9   single    0.970  0.020  1.090
 4UT  C02  H10  single    0.970  0.020  1.090
 4UT  C02  H11  single    0.970  0.020  1.090
 4UT  C04  H13  single    0.970  0.020  1.090
 4UT  C04  H14  single    0.970  0.020  1.090
 4UT  C05  H15  single    0.970  0.020  1.090
 4UT  C05  H16  single    0.970  0.020  1.090
 4UT  C08  H17  single    0.930  0.020  1.080
 4UT  C09  H18  single    0.930  0.020  1.080
 4UT  N13  H19  single    0.860  0.020  1.020
 4UT  N15  H20  single    0.860  0.020  1.020
 4UT  C18  H21  single    0.930  0.020  1.080
 4UT  C23  H22  single    0.930  0.020  1.080
 4UT  C27  H23  single    0.930  0.020  1.080
 4UT  C29  H24  single    0.930  0.020  1.080
 4UT  C31  H25  single    0.930  0.020  1.080
 4UT  C32  H26  single    0.930  0.020  1.080
 4UT  C33  H27  single    0.970  0.020  1.090
 4UT  C33  H28  single    0.970  0.020  1.090
 4UT  C34  H29  single    0.970  0.020  1.090
 4UT  C34  H30  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
 4UT  C31  C10  C11  124.47  3.000
 4UT  C31  C10  C09  117.08  3.000
 4UT  C11  C10  C09  118.44  3.000
 4UT  C30  C17  C18  120.07  3.000
 4UT  C30  C17  N16  111.76  3.000
 4UT  C18  C17  N16  128.17  3.000
 4UT  C27  C20  C19  120.31  3.000
 4UT  C19  C20  C21  120.71  3.000
 4UT  C27  C20  C21  118.98  3.000
 4UT  H1   C21  C22  119.90  3.000
 4UT  H1   C21  C20  120.23  3.000
 4UT  C22  C21  C20  119.86  3.000
 4UT  H2   C22  C23  118.97  3.000
 4UT  H2   C22  C21  119.67  3.000
 4UT  C23  C22  C21  121.35  3.000
 4UT  C27  C24  O25  115.87  3.000
 4UT  C27  C24  C23  119.75  3.000
 4UT  O25  C24  C23  124.38  3.000
 4UT  H5   C26  H4   108.76  3.000
 4UT  H5   C26  H3   108.79  3.000
 4UT  H4   C26  H3   108.73  3.000
 4UT  H5   C26  O25  111.99  3.000
 4UT  H4   C26  O25  111.96  3.000
 4UT  H3   C26  O25  106.50  3.000
 4UT  H6   C28  C29  119.28  3.000
 4UT  H6   C28  C19  118.75  3.000
 4UT  C29  C28  C19  121.95  3.000
 4UT  H9   C01  H8   107.23  3.000
 4UT  H9   C01  H7   108.06  3.000
 4UT  H8   C01  H7   108.10  3.000
 4UT  H9   C01  C02  109.76  3.000
 4UT  H8   C01  C02  112.62  3.000
 4UT  H7   C01  C02  110.90  3.000
 4UT  C34  N03  C04  108.37  3.000
 4UT  C04  N03  C02  111.17  3.000
 4UT  C34  N03  C02  113.08  3.000
 4UT  H14  C04  H13  106.95  3.000
 4UT  H14  C04  C05  109.00  3.000
 4UT  H13  C04  C05  107.88  3.000
 4UT  H14  C04  N03  111.62  3.000
 4UT  H13  C04  N03  109.49  3.000
 4UT  C05  C04  N03  111.71  3.000
 4UT  H16  C05  H15  107.60  3.000
 4UT  H16  C05  N06  110.03  3.000
 4UT  H15  C05  N06  110.66  3.000
 4UT  H16  C05  C04  106.95  3.000
 4UT  H15  C05  C04  109.88  3.000
 4UT  N06  C05  C04  111.57  3.000
 4UT  C33  N06  C07  120.05  3.000
 4UT  C33  N06  C05  113.15  3.000
 4UT  C07  N06  C05  119.79  3.000
 4UT  C32  C07  C08  116.25  3.000
 4UT  C32  C07  N06  121.92  3.000
 4UT  C08  C07  N06  121.82  3.000
 4UT  H17  C08  C09  117.34  3.000
 4UT  H17  C08  C07  121.15  3.000
 4UT  C09  C08  C07  121.51  3.000
 4UT  H18  C09  C08  118.42  3.000
 4UT  H18  C09  C10  119.73  3.000
 4UT  C08  C09  C10  121.85  3.000
 4UT  N13  C11  O12  120.85  3.000
 4UT  N13  C11  C10  116.56  3.000
 4UT  O12  C11  C10  122.59  3.000
 4UT  H19  N13  C14  115.14  3.000
 4UT  H19  N13  C11  119.26  3.000
 4UT  C14  N13  C11  125.49  3.000
 4UT  C30  C14  N15  105.83  3.000
 4UT  N15  C14  N13  125.91  3.000
 4UT  C30  C14  N13  128.26  3.000
 4UT  H20  N15  N16  120.39  3.000
 4UT  H20  N15  C14  124.92  3.000
 4UT  N16  N15  C14  114.68  3.000
 4UT  N15  N16  C17  103.97  3.000
 4UT  H21  C18  C19  121.35  3.000
 4UT  H21  C18  C17  119.87  3.000
 4UT  C19  C18  C17  118.77  3.000
 4UT  C18  C19  C28  120.42  3.000
 4UT  C28  C19  C20  119.29  3.000
 4UT  C18  C19  C20  120.29  3.000
 4UT  H22  C23  C24  121.73  3.000
 4UT  H22  C23  C22  119.22  3.000
 4UT  C24  C23  C22  119.05  3.000
 4UT  C26  O25  C24  118.62  3.000
 4UT  H23  C27  C24  118.61  3.000
 4UT  H23  C27  C20  120.37  3.000
 4UT  C24  C27  C20  121.01  3.000
 4UT  H24  C29  C30  121.58  3.000
 4UT  H24  C29  C28  120.34  3.000
 4UT  C30  C29  C28  118.08  3.000
 4UT  C29  C30  C14  135.54  3.000
 4UT  C14  C30  C17  103.75  3.000
 4UT  C29  C30  C17  120.70  3.000
 4UT  H25  C31  C32  116.63  3.000
 4UT  H25  C31  C10  121.62  3.000
 4UT  C32  C31  C10  121.72  3.000
 4UT  H26  C32  C31  117.27  3.000
 4UT  H26  C32  C07  121.17  3.000
 4UT  C31  C32  C07  121.55  3.000
 4UT  H28  C33  H27  107.41  3.000
 4UT  H28  C33  C34  107.24  3.000
 4UT  H27  C33  C34  109.54  3.000
 4UT  H28  C33  N06  110.48  3.000
 4UT  H27  C33  N06  110.14  3.000
 4UT  C34  C33  N06  111.89  3.000
 4UT  H30  C34  H29  107.12  3.000
 4UT  H30  C34  C33  107.27  3.000
 4UT  H29  C34  C33  109.36  3.000
 4UT  H30  C34  N03  110.30  3.000
 4UT  H29  C34  N03  111.53  3.000
 4UT  C33  C34  N03  111.09  3.000
 4UT  H11  C02  H10  106.21  3.000
 4UT  H11  C02  N03  111.38  3.000
 4UT  H10  C02  N03  107.30  3.000
 4UT  H11  C02  C01  109.48  3.000
 4UT  H10  C02  C01  108.67  3.000
 4UT  N03  C02  C01  113.49  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
 4UT  CONST_01  C07  C08  C09  C10     0.00   0.0  0
 4UT  CONST_02  C07  C32  C31  C10     0.00   0.0  0
 4UT  CONST_03  C20  C19  C18  C17   180.00   0.0  0
 4UT  CONST_04  C28  C19  C18  C17     0.00   0.0  0
 4UT  CONST_05  C14  N15  N16  C17     0.00   0.0  0
 4UT  CONST_06  C28  C29  C30  C17     0.00   0.0  0
 4UT  CONST_07  N15  C14  C30  C17     0.00   0.0  0
 4UT  CONST_08  C23  C22  C21  C20     0.00   0.0  0
 4UT  CONST_09  C23  C24  C27  C20     0.00   0.0  0
 4UT  CONST_10  C29  C28  C19  C20   180.00   0.0  0
 4UT  CONST_11  C24  C23  C22  C21     0.00   0.0  0
 4UT  CONST_12  C24  C27  C20  C21     0.00   0.0  0
 4UT  CONST_15  C27  C24  C23  C22     0.00   0.0  0
 4UT  CONST_16  C27  C20  C21  C22     0.00   0.0  0
 4UT  CONST_17  C19  C20  C21  C22   180.00   0.0  0
 4UT  CONST_18  C19  C20  C27  C24   180.00   0.0  0
 4UT  CONST_20  C14  C30  C29  C28   180.00   0.0  0
 4UT  CONST_21  C31  C10  C09  C08     0.00   0.0  0
 4UT  CONST_22  C31  C32  C07  C08     0.00   0.0  0
 4UT  CONST_23  C32  C31  C10  C09     0.00   0.0  0
 4UT  CONST_24  C32  C07  C08  C09     0.00   0.0  0
 4UT  CONST_25  C18  C17  C30  C14   180.00   0.0  0
 4UT  CONST_26  N16  C17  C30  C14     0.00   0.0  0
 4UT  CONST_27  C18  C17  N16  N15   180.00   0.0  0
 4UT  CONST_28  C30  C17  N16  N15     0.00   0.0  0
 4UT  CONST_29  C29  C30  C14  N15   180.00   0.0  0
 4UT  CONST_30  C19  C18  C17  N16   180.00   0.0  0
 4UT  CONST_31  C29  C30  C17  N16   180.00   0.0  0
 4UT  CONST_32  C30  C14  N15  N16     0.00   0.0  0
 4UT  CONST_34  C29  C28  C19  C18     0.00   0.0  0
 4UT  CONST_35  C29  C30  C17  C18     0.00   0.0  0
 4UT  CONST_36  C30  C17  C18  C19     0.00   0.0  0
 4UT  CONST_37  C30  C29  C28  C19     0.00   0.0  0
 4UT  CONST_38  C09  C08  C07  N06   180.00   0.0  0
 4UT  CONST_39  C31  C32  C07  N06   180.00   0.0  0
 4UT  CONST_40  N13  C14  C30  C17   180.00   0.0  0
 4UT  CONST_41  O25  C24  C27  C20   180.00   0.0  0
 4UT  CONST_42  O25  C24  C23  C22   180.00   0.0  0
 4UT  CONST_43  C11  C10  C09  C08   180.00   0.0  0
 4UT  CONST_44  C32  C31  C10  C11   180.00   0.0  0
 4UT  CONST_45  C29  C30  C14  N13     0.00   0.0  0
 4UT  CONST_46  N16  N15  C14  N13   180.00   0.0  0
 4UT  CONST_47  H17  C08  C09  C10   180.00   0.0  0
 4UT  CONST_48  H26  C32  C31  C10   180.00   0.0  0
 4UT  CONST_49  H20  N15  N16  C17   180.00   0.0  0
 4UT  CONST_50  H24  C29  C30  C17   180.00   0.0  0
 4UT  CONST_51  H2   C22  C21  C20   180.00   0.0  0
 4UT  CONST_52  H21  C18  C19  C20     0.00   0.0  0
 4UT  CONST_53  H6   C28  C19  C20     0.00   0.0  0
 4UT  CONST_54  H22  C23  C22  C21   180.00   0.0  0
 4UT  CONST_55  H23  C27  C20  C21   180.00   0.0  0
 4UT  CONST_56  H18  C09  C08  C07   180.00   0.0  0
 4UT  CONST_57  H25  C31  C32  C07   180.00   0.0  0
 4UT  CONST_58  H1   C21  C20  C19     0.00   0.0  0
 4UT  CONST_59  C14  N13  C11  C10   180.00   0.0  0
 4UT  CONST_60  C30  C14  N13  C11   180.00   0.0  0
 4UT  CONST_61  N15  C14  N13  C11     0.00   0.0  0
 4UT  CONST_62  H19  N13  C14  N15   180.00   0.0  0
 4UT  CONST_63  C14  N13  C11  O12     0.00   0.0  0
 4UT  Var_01    N06  C33  C34  N03    55.45  30.0  1
 4UT  Var_02    N06  C05  C04  N03   -54.89  30.0  1
 4UT  Var_03    C07  N06  C05  C04  -160.54  30.0  1
 4UT  Var_04    C33  C34  N03  C04   -60.39  30.0  1
 4UT  Var_05    C08  C07  N06  C05  -171.93  30.0  3
 4UT  Var_06    C34  C33  N06  C05   -49.27  30.0  1
 4UT  Var_07    C34  N03  C04  C05    60.37  30.0  1
 4UT  Var_08    C23  C24  O25  C26     0.84  30.0  2
 4UT  Var_09    O12  C11  C10  C09    13.34  30.0  2
 4UT  Var_10    H3   C26  O25  C24   178.42  30.0  3
 4UT  Var_11    H7   C01  C02  N03   -54.45  30.0  3

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
 4UT  plan-1  C10  0.020
 4UT  plan-1  N06  0.020
 4UT  plan-1  C07  0.020
 4UT  plan-1  C08  0.020
 4UT  plan-1  C09  0.020
 4UT  plan-1  C11  0.020
 4UT  plan-1  C31  0.020
 4UT  plan-1  C32  0.020
 4UT  plan-1  H17  0.020
 4UT  plan-1  H18  0.020
 4UT  plan-1  H25  0.020
 4UT  plan-1  H26  0.020
 4UT  plan-2  C20  0.020
 4UT  plan-2  C21  0.020
 4UT  plan-2  C22  0.020
 4UT  plan-2  C24  0.020
 4UT  plan-2  C19  0.020
 4UT  plan-2  C23  0.020
 4UT  plan-2  O25  0.020
 4UT  plan-2  C27  0.020
 4UT  plan-2  H1   0.020
 4UT  plan-2  H2   0.020
 4UT  plan-2  H22  0.020
 4UT  plan-2  H23  0.020
 4UT  plan-3  C17  0.020
 4UT  plan-3  C20  0.020
 4UT  plan-3  C28  0.020
 4UT  plan-3  N13  0.020
 4UT  plan-3  C14  0.020
 4UT  plan-3  N15  0.020
 4UT  plan-3  N16  0.020
 4UT  plan-3  C18  0.020
 4UT  plan-3  C19  0.020
 4UT  plan-3  C29  0.020
 4UT  plan-3  C30  0.020
 4UT  plan-3  H6   0.020
 4UT  plan-3  H20  0.020
 4UT  plan-3  H21  0.020
 4UT  plan-3  H24  0.020
 4UT  plan-4  C10  0.020
 4UT  plan-4  C11  0.020
 4UT  plan-4  O12  0.020
 4UT  plan-4  N13  0.020
 4UT  plan-4  C14  0.020
 4UT  plan-4  H19  0.020

