# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Fri Jul 23 15:22:30 2021
#   Inital geometry file: a 169 line input string
#   Ligand name: N~1~-(4-{4-[(hex-5-ynoyl)amino]benzene-1-carbonyl}phenyl)-N~8~-hydroxyoctanediamide
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: ONC(=O)CCCCCCC(=O)Nc1ccc(cc1)C(=O)c2ccc(NC(=O)CCCC#C)cc2
#
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
 UFS  UFS  N~1~-(4-{4-[(hex-5-ynoyl)amino]benzene-1-carbonyl}phenyl)-N~8~-hydroxyoctanediamide  ligand  66  35  .  2022-03-23  2022-03-23
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as PERFECT
;

data_comp_UFS
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
 UFS  C13  C  CR16  0  -0.277  -23.6036   -8.8038  -32.5672
 UFS  C15  C  C     0   0.355  -22.2871   -8.5242  -34.7026
 UFS  C17  C  CR16  0  -0.258  -21.1766   -6.3350  -35.0802
 UFS  C21  C  C     0   0.564  -21.4989   -1.9122  -35.2271
 UFS  C22  C  CH2   0  -0.603  -22.0411   -0.5003  -35.1919
 UFS  C24  C  CH2   0  -0.579  -21.5827    1.9633  -35.2014
 UFS  C26  C  CSP1  0  -0.567  -19.7407    3.8815  -35.2387
 UFS  C28  C  CR16  0  -0.340  -23.4772   -4.9386  -34.4836
 UFS  C02  C  C     0   0.524  -23.6123  -14.4226  -23.5039
 UFS  C03  C  CH2   0  -0.566  -24.1288  -14.8587  -24.8486
 UFS  C04  C  CH2   0  -0.420  -24.8041  -13.7161  -25.6030
 UFS  C05  C  CH2   0  -0.416  -25.3194  -14.1605  -26.9648
 UFS  C06  C  CH2   0  -0.417  -25.9963  -13.0349  -27.7378
 UFS  C07  C  CH2   0  -0.435  -26.5686  -13.5158  -29.0648
 UFS  C08  C  CH2   0  -0.583  -27.3520  -12.4470  -29.8366
 UFS  C09  C  C     0   0.522  -26.4785  -11.3042  -30.2973
 UFS  C11  C  CR6   0   0.384  -24.9162  -10.7796  -32.1686
 UFS  C12  C  CR16  0  -0.303  -24.4342   -9.5412  -31.7389
 UFS  C14  C  CR6   0  -0.050  -23.2135   -9.2729  -33.8193
 UFS  C16  C  CR6   0  -0.051  -22.3170   -7.0425  -34.7007
 UFS  C18  C  CR16  0  -0.307  -21.1601   -4.9534  -35.1393
 UFS  C19  C  CR6   0   0.386  -22.3225   -4.2342  -34.8404
 UFS  C23  C  CH2   0  -0.420  -20.9587    0.5651  -35.2161
 UFS  C25  C  CSP   0   0.289  -20.5815    3.0215  -35.2241
 UFS  C29  C  CR16  0  -0.274  -23.4723   -6.3159  -34.4079
 UFS  C31  C  CR16  0  -0.259  -23.6664  -10.5312  -34.2216
 UFS  C32  C  CR16  0  -0.342  -24.5134  -11.2637  -33.4199
 UFS  N10  N  NH1   0  -0.733  -25.7776  -11.5864  -31.4352
 UFS  N20  N  NH1   0  -0.749  -22.4242   -2.8490  -34.8696
 UFS  N34  N  NH1   0  -0.352  -23.9845  -15.1875  -22.4791
 UFS  O01  O  O     0  -0.521  -22.8981  -13.4366  -23.3276
 UFS  O27  O  O     0  -0.456  -20.3607   -2.1790  -35.5584
 UFS  O30  O  O     0  -0.405  -21.5183   -9.1252  -35.4324
 UFS  O33  O  O     0  -0.457  -26.3925  -10.2478  -29.7002
 UFS  O35  O  OH1   0  -0.554  -23.5583  -14.9148  -21.2067
 UFS  H1   H  HCR6  0   0.274  -23.2369   -7.8523  -32.2047
 UFS  H2   H  HCR6  0   0.265  -20.2690   -6.8720  -35.3234
 UFS  H3   H  HCH2  0   0.287  -22.7057   -0.3815  -36.0551
 UFS  H4   H  HCH2  0   0.272  -22.6771   -0.3758  -34.3107
 UFS  H5   H  HCH2  0   0.270  -22.2093    2.0834  -34.3132
 UFS  H6   H  HCH2  0   0.270  -22.2477    2.0816  -36.0617
 UFS  H7   H  H     0   0.277  -18.9994    4.6471  -35.2569
 UFS  H8   H  HCR6  0   0.278  -24.3898   -4.3975  -34.2642
 UFS  H9   H  HCH2  0   0.253  -24.8208  -15.6980  -24.7431
 UFS  H10  H  HCH2  0   0.268  -23.2761  -15.2284  -25.4261
 UFS  H11  H  HCH2  0   0.229  -24.0970  -12.8927  -25.7251
 UFS  H12  H  HCH2  0   0.228  -25.6373  -13.3287  -25.0088
 UFS  H13  H  HCH2  0   0.216  -26.0283  -14.9848  -26.8341
 UFS  H14  H  HCH2  0   0.217  -24.4897  -14.5615  -27.5569
 UFS  H15  H  HCH2  0   0.222  -25.2754  -12.2277  -27.8983
 UFS  H16  H  HCH2  0   0.241  -27.2521  -14.3478  -28.8778
 UFS  H17  H  HCH2  0   0.266  -28.1384  -12.0370  -29.2016
 UFS  H18  H  HCH2  0   0.271  -27.8392  -12.9123  -30.6967
 UFS  H19  H  HCR6  0   0.285  -24.6979   -9.1461  -30.7722
 UFS  H20  H  HCR6  0   0.286  -20.2506   -4.4496  -35.4197
 UFS  H21  H  HCH2  0   0.246  -20.3377    0.4574  -36.1062
 UFS  H22  H  HCH2  0   0.245  -20.3000    0.4541  -34.3528
 UFS  H23  H  HCR6  0   0.276  -24.3912   -6.8215  -34.1434
 UFS  H24  H  HCR6  0   0.266  -23.3735  -10.9311  -35.1836
 UFS  H25  H  HCR6  0   0.276  -24.8763  -12.2249  -33.7638
 UFS  H26  H  HNH1  0   0.420  -25.9696  -12.4848  -31.8527
 UFS  H27  H  HNH1  0   0.421  -23.3286   -2.4890  -34.6024
 UFS  H28  H  HNH1  0   0.426  -24.5309  -16.0309  -22.5426
 UFS  H29  H  HOH1  0   0.469  -22.9624  -14.1560  -21.3169
 UFS  H30  H  HCH2  0   0.216  -26.8033  -12.6093  -27.1320
 UFS  H31  H  HCH2  0   0.229  -25.7686  -13.9203  -29.6923

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
 UFS  O30  C15  double    1.219  0.020  1.219
 UFS  O27  C21  double    1.215  0.020  1.215
 UFS  C15  C16  single    1.482  0.020  1.482
 UFS  C15  C14  single    1.483  0.020  1.483
 UFS  C17  C16  aromatic  1.395  0.020  1.395
 UFS  C17  C18  aromatic  1.383  0.020  1.383
 UFS  C16  C29  aromatic  1.396  0.020  1.396
 UFS  C24  C25  single    1.457  0.020  1.457
 UFS  C24  C23  single    1.531  0.020  1.531
 UFS  C18  C19  aromatic  1.399  0.020  1.399
 UFS  C31  C14  aromatic  1.397  0.020  1.397
 UFS  C31  C32  aromatic  1.377  0.020  1.377
 UFS  C21  C22  single    1.513  0.020  1.513
 UFS  C21  N20  single    1.364  0.020  1.364
 UFS  C29  C28  aromatic  1.379  0.020  1.379
 UFS  C19  C28  aromatic  1.399  0.020  1.399
 UFS  C19  N20  single    1.389  0.020  1.389
 UFS  C22  C23  single    1.519  0.020  1.519
 UFS  C25  C26  triple    1.203  0.020  1.203
 UFS  C14  C13  aromatic  1.393  0.020  1.393
 UFS  C32  C11  aromatic  1.401  0.020  1.401
 UFS  C13  C12  aromatic  1.386  0.020  1.386
 UFS  C11  C12  aromatic  1.397  0.020  1.397
 UFS  C11  N10  single    1.389  0.020  1.389
 UFS  N10  C09  single    1.366  0.020  1.366
 UFS  C09  O33  double    1.217  0.020  1.217
 UFS  C09  C08  single    1.510  0.020  1.510
 UFS  C08  C07  single    1.534  0.020  1.534
 UFS  C07  C06  single    1.523  0.020  1.523
 UFS  C06  C05  single    1.524  0.020  1.524
 UFS  C05  C04  single    1.522  0.020  1.522
 UFS  C04  C03  single    1.527  0.020  1.527
 UFS  C03  C02  single    1.505  0.020  1.505
 UFS  O01  C02  double    1.230  0.020  1.230
 UFS  C02  N34  single    1.332  0.020  1.332
 UFS  N34  O35  single    1.369  0.020  1.369
 UFS  C13  H1   single    0.929  0.020  1.085
 UFS  C17  H2   single    0.929  0.020  1.085
 UFS  C22  H3   single    0.939  0.020  1.096
 UFS  C22  H4   single    0.939  0.020  1.096
 UFS  C24  H5   single    0.939  0.020  1.096
 UFS  C24  H6   single    0.939  0.020  1.096
 UFS  C26  H7   single    0.913  0.020  1.066
 UFS  C28  H8   single    0.929  0.020  1.085
 UFS  C03  H9   single    0.939  0.020  1.096
 UFS  C03  H10  single    0.939  0.020  1.096
 UFS  C04  H11  single    0.939  0.020  1.096
 UFS  C04  H12  single    0.939  0.020  1.096
 UFS  C05  H13  single    0.939  0.020  1.096
 UFS  C05  H14  single    0.939  0.020  1.096
 UFS  C06  H15  single    0.939  0.020  1.096
 UFS  C07  H16  single    0.939  0.020  1.096
 UFS  C08  H17  single    0.939  0.020  1.096
 UFS  C08  H18  single    0.939  0.020  1.096
 UFS  C12  H19  single    0.929  0.020  1.085
 UFS  C18  H20  single    0.929  0.020  1.085
 UFS  C23  H21  single    0.939  0.020  1.096
 UFS  C23  H22  single    0.939  0.020  1.096
 UFS  C29  H23  single    0.929  0.020  1.085
 UFS  C31  H24  single    0.929  0.020  1.085
 UFS  C32  H25  single    0.929  0.020  1.085
 UFS  N10  H26  single    0.868  0.020  1.013
 UFS  N20  H27  single    0.868  0.020  1.013
 UFS  N34  H28  single    0.868  0.020  1.013
 UFS  O35  H29  single    0.832  0.020  0.971
 UFS  C06  H30  single    0.939  0.020  1.096
 UFS  C07  H31  single    0.939  0.020  1.096

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
 UFS  H1   C13  C14  120.15  3.000
 UFS  H1   C13  C12  118.08  3.000
 UFS  C14  C13  C12  121.74  3.000
 UFS  O30  C15  C16  120.43  3.000
 UFS  C16  C15  C14  119.44  3.000
 UFS  O30  C15  C14  120.13  3.000
 UFS  H2   C17  C18  118.42  3.000
 UFS  H2   C17  C16  119.68  3.000
 UFS  C18  C17  C16  121.89  3.000
 UFS  O27  C21  N20  123.78  3.000
 UFS  N20  C21  C22  113.06  3.000
 UFS  O27  C21  C22  123.16  3.000
 UFS  H4   C22  H3   105.64  3.000
 UFS  H4   C22  C23  110.32  3.000
 UFS  H3   C22  C23  110.09  3.000
 UFS  H4   C22  C21  109.47  3.000
 UFS  H3   C22  C21  107.47  3.000
 UFS  C23  C22  C21  113.51  3.000
 UFS  H6   C24  H5   106.17  3.000
 UFS  H6   C24  C25  109.09  3.000
 UFS  H5   C24  C25  109.06  3.000
 UFS  H6   C24  C23  109.82  3.000
 UFS  H5   C24  C23  109.98  3.000
 UFS  C25  C24  C23  112.53  3.000
 UFS  H7   C26  C25  180.00  3.000
 UFS  H8   C28  C29  119.38  3.000
 UFS  H8   C28  C19  119.70  3.000
 UFS  C29  C28  C19  120.92  3.000
 UFS  O01  C02  N34  120.81  3.000
 UFS  N34  C02  C03  115.16  3.000
 UFS  O01  C02  C03  124.03  3.000
 UFS  H10  C03  H9   106.55  3.000
 UFS  H10  C03  C04  109.67  3.000
 UFS  H9   C03  C04  110.02  3.000
 UFS  H10  C03  C02  107.58  3.000
 UFS  H9   C03  C02  110.71  3.000
 UFS  C04  C03  C02  112.11  3.000
 UFS  H12  C04  H11  106.66  3.000
 UFS  H12  C04  C05  109.35  3.000
 UFS  H11  C04  C05  109.83  3.000
 UFS  H12  C04  C03  109.48  3.000
 UFS  H11  C04  C03  109.46  3.000
 UFS  C05  C04  C03  111.92  3.000
 UFS  H14  C05  H13  106.22  3.000
 UFS  H14  C05  C06  109.43  3.000
 UFS  H13  C05  C06  109.21  3.000
 UFS  H14  C05  C04  109.51  3.000
 UFS  H13  C05  C04  109.40  3.000
 UFS  C06  C05  C04  112.86  3.000
 UFS  H30  C06  H15  106.26  3.000
 UFS  H30  C06  C07  109.13  3.000
 UFS  H15  C06  C07  110.66  3.000
 UFS  H30  C06  C05  109.50  3.000
 UFS  H15  C06  C05  109.07  3.000
 UFS  C07  C06  C05  112.06  3.000
 UFS  H31  C07  H16  105.90  3.000
 UFS  H31  C07  C08  110.03  3.000
 UFS  H16  C07  C08  107.29  3.000
 UFS  H31  C07  C06  109.98  3.000
 UFS  H16  C07  C06  109.05  3.000
 UFS  C08  C07  C06  114.23  3.000
 UFS  H18  C08  H17  107.28  3.000
 UFS  H18  C08  C09  109.88  3.000
 UFS  H17  C08  C09  108.06  3.000
 UFS  H18  C08  C07  109.10  3.000
 UFS  H17  C08  C07  109.71  3.000
 UFS  C09  C08  C07  112.67  3.000
 UFS  O33  C09  N10  123.51  3.000
 UFS  O33  C09  C08  123.25  3.000
 UFS  N10  C09  C08  113.24  3.000
 UFS  N10  C11  C32  116.68  3.000
 UFS  N10  C11  C12  124.50  3.000
 UFS  C32  C11  C12  118.82  3.000
 UFS  H19  C12  C11  121.12  3.000
 UFS  H19  C12  C13  119.22  3.000
 UFS  C11  C12  C13  119.66  3.000
 UFS  C31  C14  C15  119.07  3.000
 UFS  C31  C14  C13  118.14  3.000
 UFS  C15  C14  C13  122.71  3.000
 UFS  C29  C16  C17  118.02  3.000
 UFS  C29  C16  C15  122.51  3.000
 UFS  C17  C16  C15  119.37  3.000
 UFS  H20  C18  C19  121.11  3.000
 UFS  H20  C18  C17  119.25  3.000
 UFS  C19  C18  C17  119.63  3.000
 UFS  N20  C19  C18  124.67  3.000
 UFS  N20  C19  C28  116.55  3.000
 UFS  C18  C19  C28  118.78  3.000
 UFS  H22  C23  H21  106.97  3.000
 UFS  H22  C23  C24  109.34  3.000
 UFS  H21  C23  C24  109.27  3.000
 UFS  H22  C23  C22  110.25  3.000
 UFS  H21  C23  C22  110.45  3.000
 UFS  C24  C23  C22  110.49  3.000
 UFS  C26  C25  C24  180.00  3.000
 UFS  H23  C29  C16  120.73  3.000
 UFS  H23  C29  C28  118.50  3.000
 UFS  C16  C29  C28  120.74  3.000
 UFS  H24  C31  C32  119.17  3.000
 UFS  H24  C31  C14  120.09  3.000
 UFS  C32  C31  C14  120.73  3.000
 UFS  H25  C32  C31  119.54  3.000
 UFS  H25  C32  C11  119.59  3.000
 UFS  C31  C32  C11  120.87  3.000
 UFS  H26  N10  C11  114.62  3.000
 UFS  H26  N10  C09  115.53  3.000
 UFS  C11  N10  C09  129.63  3.000
 UFS  H27  N20  C19  114.56  3.000
 UFS  H27  N20  C21  115.60  3.000
 UFS  C19  N20  C21  129.83  3.000
 UFS  H28  N34  O35  113.22  3.000
 UFS  H28  N34  C02  125.75  3.000
 UFS  O35  N34  C02  120.91  3.000
 UFS  H29  O35  N34  103.95  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
 UFS  CONST_01  C32  C31  C14  C13     0.00   0.0  0
 UFS  CONST_02  C32  C11  C12  C13     0.00   0.0  0
 UFS  CONST_03  C28  C29  C16  C17     0.00   0.0  0
 UFS  CONST_04  C28  C19  C18  C17     0.00   0.0  0
 UFS  CONST_05  C14  C31  C32  C11     0.00   0.0  0
 UFS  CONST_06  C14  C13  C12  C11     0.00   0.0  0
 UFS  CONST_07  C31  C14  C13  C12     0.00   0.0  0
 UFS  CONST_08  C31  C32  C11  C12     0.00   0.0  0
 UFS  CONST_09  C19  C18  C17  C16     0.00   0.0  0
 UFS  CONST_10  C19  C28  C29  C16     0.00   0.0  0
 UFS  CONST_11  C29  C16  C17  C18     0.00   0.0  0
 UFS  CONST_12  C29  C28  C19  C18     0.00   0.0  0
 UFS  CONST_13  N10  C11  C12  C13   180.00   0.0  0
 UFS  CONST_14  C18  C17  C16  C15   180.00   0.0  0
 UFS  CONST_15  C28  C29  C16  C15   180.00   0.0  0
 UFS  CONST_16  C32  C31  C14  C15   180.00   0.0  0
 UFS  CONST_17  C12  C13  C14  C15   180.00   0.0  0
 UFS  CONST_18  N20  C19  C18  C17   180.00   0.0  0
 UFS  CONST_19  N20  C19  C28  C29   180.00   0.0  0
 UFS  CONST_20  N10  C11  C32  C31   180.00   0.0  0
 UFS  CONST_21  H24  C31  C14  C13   180.00   0.0  0
 UFS  CONST_22  H23  C29  C16  C17   180.00   0.0  0
 UFS  CONST_23  H20  C18  C19  C28   180.00   0.0  0
 UFS  CONST_24  H1   C13  C12  C11   180.00   0.0  0
 UFS  CONST_25  H25  C32  C11  C12   180.00   0.0  0
 UFS  CONST_26  H19  C12  C13  C14   180.00   0.0  0
 UFS  CONST_27  H8   C28  C29  C16   180.00   0.0  0
 UFS  CONST_28  H2   C17  C18  C19   180.00   0.0  0
 UFS  CONST_29  C18  C19  N20  C21     0.00   0.0  0
 UFS  CONST_30  C28  C19  N20  C21   180.00   0.0  0
 UFS  CONST_31  C32  C11  N10  C09   180.00   0.0  0
 UFS  CONST_32  C12  C11  N10  C09     0.00   0.0  0
 UFS  CONST_33  H27  N20  C19  C28     0.00   0.0  0
 UFS  CONST_34  H26  N10  C11  C12   180.00   0.0  0
 UFS  CONST_35  C19  N20  C21  C22   180.00   0.0  0
 UFS  CONST_36  C11  N10  C09  C08   180.00   0.0  0
 UFS  CONST_37  O33  C09  N10  C11     0.00   0.0  0
 UFS  CONST_38  O27  C21  N20  C19     0.00   0.0  0
 UFS  CONST_39  O35  N34  C02  C03   180.00   0.0  0
 UFS  CONST_40  O35  N34  C02  O01     0.00   0.0  0
 UFS  CONST_41  H28  N34  C02  C03     0.00   0.0  0
 UFS  Var_01    C16  C15  C14  C13   -33.78  30.0  2
 UFS  Var_02    C14  C15  C16  C17   155.03  30.0  1
 UFS  Var_03    C24  C23  C22  C21   179.08  30.0  3
 UFS  Var_04    C25  C24  C23  C22  -179.99  30.0  2
 UFS  Var_05    C23  C24  C25  C26   -12.74  30.0  1
 UFS  Var_06    C05  C04  C03  C02   179.75  30.0  1
 UFS  Var_07    C06  C05  C04  C03  -179.91  30.0  2
 UFS  Var_08    C07  C06  C05  C04  -177.02  30.0  1
 UFS  Var_09    O01  C02  C03  C04   -51.03  30.0  3
 UFS  Var_10    C08  C07  C06  C05   175.69  30.0  2
 UFS  Var_11    C09  C08  C07  C06    65.52  30.0  1
 UFS  Var_12    N10  C09  C08  C07    80.57  30.0  2
 UFS  Var_13    O27  C21  C22  C23   -16.52  30.0  2

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
 UFS  plan-1  C15  0.020
 UFS  plan-1  C17  0.020
 UFS  plan-1  C28  0.020
 UFS  plan-1  C16  0.020
 UFS  plan-1  C18  0.020
 UFS  plan-1  C19  0.020
 UFS  plan-1  C29  0.020
 UFS  plan-1  N20  0.020
 UFS  plan-1  H2   0.020
 UFS  plan-1  H8   0.020
 UFS  plan-1  H20  0.020
 UFS  plan-1  H23  0.020
 UFS  plan-2  C13  0.020
 UFS  plan-2  C15  0.020
 UFS  plan-2  C11  0.020
 UFS  plan-2  C12  0.020
 UFS  plan-2  C14  0.020
 UFS  plan-2  C31  0.020
 UFS  plan-2  C32  0.020
 UFS  plan-2  N10  0.020
 UFS  plan-2  H1   0.020
 UFS  plan-2  H19  0.020
 UFS  plan-2  H24  0.020
 UFS  plan-2  H25  0.020
 UFS  plan-3  C21  0.020
 UFS  plan-3  C22  0.020
 UFS  plan-3  C19  0.020
 UFS  plan-3  N20  0.020
 UFS  plan-3  O27  0.020
 UFS  plan-3  H27  0.020
 UFS  plan-4  C02  0.020
 UFS  plan-4  C03  0.020
 UFS  plan-4  N34  0.020
 UFS  plan-4  O01  0.020
 UFS  plan-4  O35  0.020
 UFS  plan-4  H28  0.020
 UFS  plan-5  C08  0.020
 UFS  plan-5  C09  0.020
 UFS  plan-5  C11  0.020
 UFS  plan-5  N10  0.020
 UFS  plan-5  O33  0.020
 UFS  plan-5  H26  0.020
 UFS  plan-6  C15  0.020
 UFS  plan-6  C14  0.020
 UFS  plan-6  C16  0.020
 UFS  plan-6  O30  0.020

