# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Sat Jul 24 19:22:48 2021
#   Inital geometry file: a 167 line input string
#   Ligand name: 3-[(6-{2-[(3R)-4-(hydroxyacetyl)-3-methylpiperazin-1-yl]pyrimidin-5-yl}-2,2-dimethyl-3-oxo-2,3-dihydro-1H-indol-1-yl)methyl]pyridine-2-carbonitrile
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: C[C@@H]1CN(CCN1C(=O)CO)c2ncc(cn2)c3ccc4C(=O)C(C)(C)N(Cc5cccnc5C#N)c4c3
#
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
 UTY  UTY  3-[(6-{2-[(3R)-4-(hydroxyacetyl)-3-methylpiperazin-1-yl]pyrimidin-5-yl}-2,2-dimethyl-3-oxo-2,3-dihydro-1H-indol-1-yl)methyl]pyridine-2-carbonitrile  ligand  67  38  .  2022-07-22  2022-07-22
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as OK (reasonable std)
;

data_comp_UTY
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
 UTY  N1   N  NT    0  -0.457  25.9683  23.5843   -8.6563
 UTY  N3   N  N     0  -0.465  25.9280  19.0173   -7.4170
 UTY  C4   C  CH2   0  -0.323  26.1671  22.8257   -7.4313
 UTY  C5   C  C     0   0.502  26.1640  24.9074   -8.7544
 UTY  C6   C  CH2   0  -0.253  26.7080  25.6590   -7.5416
 UTY  C7   C  CR6   0   0.652  25.8401  19.5854   -8.6276
 UTY  C8   C  CR16  0  -0.021  24.7647  17.8028   -9.5245
 UTY  C10  C  CR16  0  -0.023  25.4171  17.8125   -7.2787
 UTY  C13  C  CR16  0  -0.266  24.3504  13.5899   -7.0915
 UTY  C15  C  CR5   0   0.380  22.5092  11.9542   -7.8782
 UTY  C20  C  CR6   0   0.072  21.3033  14.4456  -11.6252
 UTY  C21  C  CR16  0  -0.169  22.5322  13.9362  -12.0262
 UTY  C22  C  CR16  0  -0.294  23.0051  14.2125  -13.2965
 UTY  C24  C  CR6   0   0.167  20.6259  15.2205  -12.5660
 UTY  C26  C  CR56  0   0.463  22.6256  14.0924   -8.7245
 UTY  N6   N  NS    0  -0.230  18.3208  16.2302  -11.9547
 UTY  C25  C  CSP   0   0.045  19.3452  15.7850  -12.2334
 UTY  N5   N  N     0  -0.402  21.0636  15.4941  -13.7903
 UTY  C23  C  CR16  0  -0.073  22.2356  14.9974  -14.1464
 UTY  N4   N  NR5   0  -0.561  21.5737  13.5108   -9.3531
 UTY  C16  C  CR5   0  -0.044  21.3505  12.1490   -8.8678
 UTY  C18  C  CH3   0  -0.644  21.4320  11.1253   -9.9948
 UTY  O2   O  O     0  -0.409  22.7193  10.9246   -7.2712
 UTY  C14  C  CR56  0  -0.137  23.2378  13.2035   -7.8299
 UTY  C12  C  CR16  0  -0.349  24.8509  14.8643   -7.2536
 UTY  C27  C  CR16  0  -0.405  23.1159  15.3891   -8.8793
 UTY  C11  C  CR6   0   0.125  24.2373  15.7687   -8.1458
 UTY  C9   C  CR6   0  -0.099  24.7961  17.1133   -8.3129
 UTY  N2   N  N     0  -0.465  25.2690  19.0059   -9.6926
 UTY  N    N  NT    0  -0.497  26.3754  20.8136   -8.7894
 UTY  C2   C  CH2   0  -0.308  26.2545  21.5807  -10.0102
 UTY  C3   C  CH2   0  -0.309  26.9739  21.5657   -7.7083
 UTY  C1   C  CH1   0  -0.122  25.4078  22.8314   -9.7807
 UTY  C    C  CH3   0  -0.660  23.9347  22.5101   -9.5593
 UTY  O    O  O     0  -0.511  25.9353  25.5523   -9.7734
 UTY  O1   O  OH1   0  -0.670  26.8347  27.0161   -7.8370
 UTY  H1   H  HCH2  0   0.283  26.6999  23.4167   -6.6914
 UTY  H2   H  HCH2  0   0.259  25.2006  22.5599   -6.9942
 UTY  H3   H  HCH2  0   0.241  26.0318  25.5103   -6.6911
 UTY  H4   H  HCH2  0   0.238  27.6770  25.2298   -7.2580
 UTY  H5   H  HCR6  0   0.260  24.3279  17.3447  -10.4070
 UTY  H6   H  HCR6  0   0.269  25.4850  17.3797   -6.2853
 UTY  H7   H  HCR6  0   0.264  24.8228  12.8963   -6.4075
 UTY  H8   H  HCH3  0   0.248  19.9571  12.7811   -7.3170
 UTY  H9   H  HCH3  0   0.247  19.1782  12.1595   -8.7784
 UTY  H10  H  HCH3  0   0.250  19.9469  11.0446   -7.6571
 UTY  H11  H  HCR6  0   0.288  23.1174  13.3258  -11.3525
 UTY  H12  H  HCR6  0   0.290  23.9585  13.8257  -13.6273
 UTY  H13  H  HCR6  0   0.284  22.5789  15.2312  -15.1463
 UTY  H14  H  HCH2  0   0.287  20.3790  15.1456   -9.8252
 UTY  H15  H  HCH2  0   0.306  19.7946  13.5992  -10.3788
 UTY  H16  H  HCH3  0   0.252  21.3252  10.1185   -9.5921
 UTY  H17  H  HCH3  0   0.248  20.6272  11.2817  -10.7143
 UTY  H18  H  HCH3  0   0.246  22.3832  11.1823  -10.5251
 UTY  H19  H  HCR6  0   0.256  25.7388  15.1631   -6.7132
 UTY  H20  H  HCR6  0   0.266  22.6255  16.0940   -9.5380
 UTY  H21  H  HCH2  0   0.281  25.8103  20.9722  -10.7922
 UTY  H22  H  HCH2  0   0.261  27.2553  21.8776  -10.3388
 UTY  H23  H  HCH2  0   0.285  27.0236  20.9587   -6.8098
 UTY  H24  H  HCH2  0   0.253  27.9948  21.8400   -7.9918
 UTY  H25  H  HCH1  0   0.277  25.5018  23.4538  -10.6690
 UTY  H26  H  HCH3  0   0.245  23.3689  23.4188   -9.3552
 UTY  H27  H  HCH3  0   0.243  23.5190  22.0493  -10.4551
 UTY  H28  H  HCH3  0   0.230  23.7752  21.8185   -8.7310
 UTY  H29  H  HOH1  0   0.443  26.5622  27.1164   -8.7618
 UTY  C17  C  CH3   0  -0.640  20.0293  12.0335   -8.1076
 UTY  C19  C  CH2   0  -0.401  20.7040  14.1933  -10.2596

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
 UTY  C23  C22  aromatic  1.389  0.020  1.389
 UTY  C23  N5   aromatic  1.322  0.020  1.322
 UTY  C22  C21  aromatic  1.383  0.020  1.383
 UTY  N5   C24  aromatic  1.329  0.020  1.329
 UTY  C21  C20  aromatic  1.389  0.020  1.389
 UTY  C24  C20  aromatic  1.394  0.020  1.394
 UTY  C24  C25  single    1.439  0.020  1.439
 UTY  C20  C19  single    1.512  0.020  1.512
 UTY  C25  N6   triple    1.151  0.020  1.151
 UTY  C18  C16  single    1.525  0.020  1.525
 UTY  O    C5   double    1.227  0.020  1.227
 UTY  C19  N4   single    1.430  0.020  1.430
 UTY  C    C1   single    1.524  0.020  1.524
 UTY  C1   C2   single    1.528  0.020  1.528
 UTY  C1   N1   single    1.465  0.020  1.465
 UTY  C2   N    single    1.447  0.020  1.447
 UTY  N2   C8   aromatic  1.315  0.020  1.315
 UTY  N2   C7   aromatic  1.340  0.020  1.340
 UTY  N4   C16  single    1.463  0.020  1.463
 UTY  N4   C26  single    1.356  0.020  1.356
 UTY  C8   C9   aromatic  1.394  0.020  1.394
 UTY  C5   N1   single    1.341  0.020  1.341
 UTY  C5   C6   single    1.527  0.020  1.527
 UTY  C16  C17  single    1.529  0.020  1.529
 UTY  C16  C15  single    1.536  0.020  1.536
 UTY  N1   C4   single    1.454  0.020  1.454
 UTY  N    C7   single    1.350  0.020  1.350
 UTY  N    C3   single    1.447  0.020  1.447
 UTY  C27  C26  aromatic  1.395  0.020  1.395
 UTY  C27  C11  aromatic  1.393  0.020  1.393
 UTY  C26  C14  aromatic  1.402  0.020  1.402
 UTY  C7   N3   aromatic  1.340  0.020  1.340
 UTY  O1   C6   single    1.395  0.020  1.395
 UTY  C9   C11  single    1.466  0.020  1.466
 UTY  C9   C10  aromatic  1.394  0.020  1.394
 UTY  C15  O2   double    1.214  0.020  1.214
 UTY  C15  C14  single    1.447  0.020  1.447
 UTY  C11  C12  aromatic  1.411  0.020  1.411
 UTY  C14  C13  aromatic  1.390  0.020  1.390
 UTY  C3   C4   single    1.522  0.020  1.522
 UTY  N3   C10  aromatic  1.316  0.020  1.316
 UTY  C12  C13  aromatic  1.379  0.020  1.379
 UTY  C4   H1   single    0.970  0.020  1.090
 UTY  C4   H2   single    0.970  0.020  1.090
 UTY  C6   H3   single    0.970  0.020  1.090
 UTY  C6   H4   single    0.970  0.020  1.090
 UTY  C8   H5   single    0.930  0.020  1.080
 UTY  C10  H6   single    0.930  0.020  1.080
 UTY  C13  H7   single    0.930  0.020  1.080
 UTY  C17  H8   single    0.970  0.020  1.090
 UTY  C17  H9   single    0.970  0.020  1.090
 UTY  C17  H10  single    0.970  0.020  1.090
 UTY  C21  H11  single    0.930  0.020  1.080
 UTY  C22  H12  single    0.930  0.020  1.080
 UTY  C23  H13  single    0.930  0.020  1.080
 UTY  C19  H14  single    0.970  0.020  1.090
 UTY  C19  H15  single    0.970  0.020  1.090
 UTY  C18  H16  single    0.970  0.020  1.090
 UTY  C18  H17  single    0.970  0.020  1.090
 UTY  C18  H18  single    0.970  0.020  1.090
 UTY  C12  H19  single    0.930  0.020  1.080
 UTY  C27  H20  single    0.930  0.020  1.080
 UTY  C2   H21  single    0.970  0.020  1.090
 UTY  C2   H22  single    0.970  0.020  1.090
 UTY  C3   H23  single    0.970  0.020  1.090
 UTY  C3   H24  single    0.970  0.020  1.090
 UTY  C1   H25  single    0.970  0.020  1.090
 UTY  C    H26  single    0.970  0.020  1.090
 UTY  C    H27  single    0.970  0.020  1.090
 UTY  C    H28  single    0.970  0.020  1.090
 UTY  O1   H29  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
 UTY  C1   N1   C5   120.45  3.000
 UTY  C5   N1   C4   123.79  3.000
 UTY  C1   N1   C4   115.51  3.000
 UTY  C10  N3   C7   117.23  3.000
 UTY  H2   C4   H1   107.06  3.000
 UTY  H2   C4   C3   109.89  3.000
 UTY  H1   C4   C3   108.32  3.000
 UTY  H2   C4   N1   110.04  3.000
 UTY  H1   C4   N1   110.91  3.000
 UTY  C3   C4   N1   110.55  3.000
 UTY  O    C5   C6   117.85  3.000
 UTY  C6   C5   N1   118.65  3.000
 UTY  O    C5   N1   123.49  3.000
 UTY  H4   C6   H3   106.92  3.000
 UTY  H4   C6   O1   110.80  3.000
 UTY  H3   C6   O1   110.62  3.000
 UTY  H4   C6   C5   109.11  3.000
 UTY  H3   C6   C5   109.24  3.000
 UTY  O1   C6   C5   110.07  3.000
 UTY  N    C7   N2   117.86  3.000
 UTY  N    C7   N3   117.91  3.000
 UTY  N2   C7   N3   124.23  3.000
 UTY  H5   C8   N2   115.86  3.000
 UTY  H5   C8   C9   120.44  3.000
 UTY  N2   C8   C9   123.69  3.000
 UTY  H6   C10  C9   120.44  3.000
 UTY  H6   C10  N3   115.90  3.000
 UTY  C9   C10  N3   123.65  3.000
 UTY  H7   C13  C12  120.54  3.000
 UTY  H7   C13  C14  120.45  3.000
 UTY  C12  C13  C14  119.01  3.000
 UTY  C14  C15  O2   128.95  3.000
 UTY  C14  C15  C16  106.97  3.000
 UTY  O2   C15  C16  124.08  3.000
 UTY  C19  C20  C24  120.62  3.000
 UTY  C19  C20  C21  123.36  3.000
 UTY  C24  C20  C21  116.02  3.000
 UTY  H11  C21  C22  119.99  3.000
 UTY  H11  C21  C20  120.39  3.000
 UTY  C22  C21  C20  119.62  3.000
 UTY  H12  C22  C23  120.23  3.000
 UTY  H12  C22  C21  120.75  3.000
 UTY  C23  C22  C21  119.02  3.000
 UTY  N5   C24  C25  115.18  3.000
 UTY  C25  C24  C20  119.65  3.000
 UTY  N5   C24  C20  125.17  3.000
 UTY  C27  C26  C14  120.44  3.000
 UTY  C14  C26  N4   111.26  3.000
 UTY  C27  C26  N4   128.30  3.000
 UTY  N6   C25  C24  180.00  3.000
 UTY  C23  N5   C24  117.58  3.000
 UTY  H13  C23  N5   116.67  3.000
 UTY  H13  C23  C22  120.75  3.000
 UTY  N5   C23  C22  122.58  3.000
 UTY  C16  N4   C19  124.19  3.000
 UTY  C16  N4   C26  111.33  3.000
 UTY  C19  N4   C26  124.12  3.000
 UTY  C18  C16  N4   111.82  3.000
 UTY  N4   C16  C17  111.54  3.000
 UTY  C18  C16  C17  111.29  3.000
 UTY  C17  C16  C15  108.78  3.000
 UTY  N4   C16  C15  102.51  3.000
 UTY  C18  C16  C15  110.53  3.000
 UTY  H18  C18  H17  108.38  3.000
 UTY  H18  C18  H16  108.27  3.000
 UTY  H17  C18  H16  107.69  3.000
 UTY  H18  C18  C16  111.77  3.000
 UTY  H17  C18  C16  110.60  3.000
 UTY  H16  C18  C16  110.00  3.000
 UTY  C26  C14  C15  107.83  3.000
 UTY  C15  C14  C13  131.35  3.000
 UTY  C26  C14  C13  120.82  3.000
 UTY  H19  C12  C11  119.73  3.000
 UTY  H19  C12  C13  119.64  3.000
 UTY  C11  C12  C13  120.60  3.000
 UTY  H20  C27  C11  120.53  3.000
 UTY  H20  C27  C26  120.91  3.000
 UTY  C11  C27  C26  118.55  3.000
 UTY  C9   C11  C27  119.80  3.000
 UTY  C9   C11  C12  119.63  3.000
 UTY  C27  C11  C12  120.57  3.000
 UTY  C11  C9   C10  123.05  3.000
 UTY  C10  C9   C8   113.99  3.000
 UTY  C11  C9   C8   122.96  3.000
 UTY  C8   N2   C7   117.21  3.000
 UTY  C3   N    C2   112.92  3.000
 UTY  C3   N    C7   123.21  3.000
 UTY  C2   N    C7   123.40  3.000
 UTY  H22  C2   H21  108.05  3.000
 UTY  H22  C2   C1   109.26  3.000
 UTY  H21  C2   C1   109.89  3.000
 UTY  H22  C2   N    108.71  3.000
 UTY  H21  C2   N    110.16  3.000
 UTY  C1   C2   N    110.71  3.000
 UTY  H24  C3   H23  108.17  3.000
 UTY  H24  C3   N    108.82  3.000
 UTY  H23  C3   N    110.29  3.000
 UTY  H24  C3   C4   109.53  3.000
 UTY  H23  C3   C4   109.68  3.000
 UTY  N    C3   C4   110.31  3.000
 UTY  H25  C1   C    108.82  3.000
 UTY  H25  C1   C2   107.31  3.000
 UTY  C    C1   C2   112.64  3.000
 UTY  H25  C1   N1   107.43  3.000
 UTY  C2   C1   N1   108.91  3.000
 UTY  C    C1   N1   111.52  3.000
 UTY  H28  C    H27  107.48  3.000
 UTY  H28  C    H26  108.09  3.000
 UTY  H27  C    H26  107.97  3.000
 UTY  H28  C    C1   112.67  3.000
 UTY  H27  C    C1   109.78  3.000
 UTY  H26  C    C1   110.69  3.000
 UTY  H29  O1   C6   106.09  3.000
 UTY  H10  C17  H9   107.46  3.000
 UTY  H10  C17  H8   108.50  3.000
 UTY  H9   C17  H8   108.36  3.000
 UTY  H10  C17  C16  109.84  3.000
 UTY  H9   C17  C16  111.08  3.000
 UTY  H8   C17  C16  111.47  3.000
 UTY  H15  C19  H14  105.60  3.000
 UTY  H15  C19  N4   108.42  3.000
 UTY  H14  C19  N4   110.11  3.000
 UTY  H15  C19  C20  108.78  3.000
 UTY  H14  C19  C20  109.29  3.000
 UTY  N4   C19  C20  114.27  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
 UTY  CONST_01  C8   N2   C7   N3      0.00   0.0  0
 UTY  CONST_02  C8   C9   C10  N3      0.00   0.0  0
 UTY  CONST_03  C11  C9   C10  N3    180.00   0.0  0
 UTY  CONST_04  C9   C8   N2   C7      0.00   0.0  0
 UTY  CONST_05  C9   C10  N3   C7      0.00   0.0  0
 UTY  CONST_08  N2   C8   C9   C10     0.00   0.0  0
 UTY  CONST_11  N2   C7   N3   C10     0.00   0.0  0
 UTY  CONST_12  C27  C26  C14  C13     0.00   0.0  0
 UTY  CONST_13  C27  C11  C12  C13     0.00   0.0  0
 UTY  CONST_14  C9   C11  C12  C13   180.00   0.0  0
 UTY  CONST_15  C23  C22  C21  C20     0.00   0.0  0
 UTY  CONST_16  C23  N5   C24  C20     0.00   0.0  0
 UTY  CONST_17  N5   C23  C22  C21     0.00   0.0  0
 UTY  CONST_18  N5   C24  C20  C21     0.00   0.0  0
 UTY  CONST_19  C24  N5   C23  C22     0.00   0.0  0
 UTY  CONST_20  C24  C20  C21  C22     0.00   0.0  0
 UTY  CONST_21  C9   C11  C27  C26   180.00   0.0  0
 UTY  CONST_22  C12  C11  C27  C26     0.00   0.0  0
 UTY  CONST_23  C12  C13  C14  C26     0.00   0.0  0
 UTY  CONST_24  C11  C27  C26  C14     0.00   0.0  0
 UTY  CONST_25  C11  C12  C13  C14     0.00   0.0  0
 UTY  CONST_26  N2   C8   C9   C11   180.00   0.0  0
 UTY  CONST_27  N    C7   N2   C8    180.00   0.0  0
 UTY  CONST_28  N    C7   N3   C10   180.00   0.0  0
 UTY  CONST_29  C25  C24  C20  C21   180.00   0.0  0
 UTY  CONST_30  C19  C20  C21  C22   180.00   0.0  0
 UTY  CONST_31  C23  N5   C24  C25   180.00   0.0  0
 UTY  CONST_32  C19  C20  C24  N5    180.00   0.0  0
 UTY  CONST_33  H5   C8   N2   C7    180.00   0.0  0
 UTY  CONST_34  H6   C10  N3   C7    180.00   0.0  0
 UTY  CONST_35  H7   C13  C14  C15     0.00   0.0  0
 UTY  CONST_36  H12  C22  C21  C20   180.00   0.0  0
 UTY  CONST_37  H13  C23  C22  C21   180.00   0.0  0
 UTY  CONST_38  H11  C21  C20  C24   180.00   0.0  0
 UTY  CONST_39  H20  C27  C26  N4      0.00   0.0  0
 UTY  CONST_40  H19  C12  C13  C14   180.00   0.0  0
 UTY  CONST_41  O    C5   N1   C4    180.00   0.0  0
 UTY  CONST_42  C6   C5   N1   C4      0.00   0.0  0
 UTY  CONST_43  C1   N1   C5   C6    180.00   0.0  0
 UTY  CONST_44  O    C5   N1   C1      0.00   0.0  0
 UTY  Var_01    N    C3   C4   N1    -52.33  30.0  1
 UTY  Var_02    C2   N    C7   N3   -174.84  30.0  2
 UTY  Var_03    C1   C2   N    C7    113.59  30.0  1
 UTY  Var_04    C16  C15  C14  C13   178.85  30.0  1
 UTY  Var_05    C26  N4   C16  C15    -3.24  30.0  1
 UTY  Var_06    C14  C15  C16  N4      2.71  30.0  1
 UTY  Var_07    C27  C26  N4   C16  -177.62  30.0  1
 UTY  Var_08    C1   N1   C4   C3     52.57  30.0  1
 UTY  Var_09    C16  N4   C19  C20  -112.15  30.0  3
 UTY  Var_10    N4   C19  C20  C21     6.77  30.0  2
 UTY  Var_11    H16  C18  C16  C15    62.87  30.0  3
 UTY  Var_12    H8   C17  C16  C15    59.44  30.0  3
 UTY  Var_13    O1   C6   C5   N1   -179.69  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
 UTY  chir_01  C1  C  C2  N1  positiv

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
 UTY  plan-1  C20  0.020
 UTY  plan-1  C21  0.020
 UTY  plan-1  C22  0.020
 UTY  plan-1  C24  0.020
 UTY  plan-1  N6   0.020
 UTY  plan-1  C25  0.020
 UTY  plan-1  N5   0.020
 UTY  plan-1  C23  0.020
 UTY  plan-1  H11  0.020
 UTY  plan-1  H12  0.020
 UTY  plan-1  H13  0.020
 UTY  plan-1  C19  0.020
 UTY  plan-2  N3   0.020
 UTY  plan-2  C7   0.020
 UTY  plan-2  C8   0.020
 UTY  plan-2  C10  0.020
 UTY  plan-2  C11  0.020
 UTY  plan-2  C9   0.020
 UTY  plan-2  N2   0.020
 UTY  plan-2  N    0.020
 UTY  plan-2  H5   0.020
 UTY  plan-2  H6   0.020
 UTY  plan-3  C13  0.020
 UTY  plan-3  C15  0.020
 UTY  plan-3  C26  0.020
 UTY  plan-3  N4   0.020
 UTY  plan-3  C14  0.020
 UTY  plan-3  C12  0.020
 UTY  plan-3  C27  0.020
 UTY  plan-3  C11  0.020
 UTY  plan-3  C9   0.020
 UTY  plan-3  H7   0.020
 UTY  plan-3  H19  0.020
 UTY  plan-3  H20  0.020
 UTY  plan-4  N1   0.020
 UTY  plan-4  C4   0.020
 UTY  plan-4  C5   0.020
 UTY  plan-4  C6   0.020
 UTY  plan-4  C1   0.020
 UTY  plan-4  O    0.020
 UTY  plan-5  C15  0.020
 UTY  plan-5  C16  0.020
 UTY  plan-5  O2   0.020
 UTY  plan-5  C14  0.020

