# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Sat Jul 24 23:48:26 2021
#   Inital geometry file: a 149 line input string
#   Ligand name: N-[(1-benzyl-1H-tetrazol-5-yl)methyl]-N-{[4-(hydroxycarbamoyl)phenyl]methyl}-2-(trifluoromethyl)benzamide
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: ONC(=O)c1ccc(CN(Cc2nnnn2Cc3ccccc3)C(=O)c4ccccc4C(F)(F)F)cc1
#
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
 P5Y  P5Y  N-[(1-benzyl-1H-tetrazol-5-yl)methyl]-N-{[4-(hydroxycarbamoyl)phenyl]methyl}-2-(trifluoromethyl)benzamide  ligand  58  37  .  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_P5Y
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
 P5Y  C10  C  CR5   0   0.534  -16.2887   6.2322  -44.1340
 P5Y  N12  N  N     0  -0.141  -17.4085   6.7118  -42.4080
 P5Y  C15  C  CH2   0  -0.421  -16.7158   8.4009  -45.3599
 P5Y  C17  C  CR16  0  -0.277  -18.9522   7.8539  -46.3705
 P5Y  C20  C  CR16  0  -0.241  -17.8014   7.4070  -48.8566
 P5Y  C21  C  CR16  0  -0.307  -17.0072   7.7748  -47.7769
 P5Y  C22  C  C     0   0.536  -13.3471   6.1232  -44.2308
 P5Y  C24  C  CR6   0  -0.221  -11.4693   5.9709  -42.5299
 P5Y  C03  C  CR6   0  -0.063  -16.4856   0.9180  -42.9764
 P5Y  C04  C  CR16  0  -0.260  -15.9275   1.9459  -42.2180
 P5Y  C05  C  CR16  0  -0.237  -15.0809   2.8694  -42.8022
 P5Y  C06  C  CR6   0   0.089  -14.7537   2.7733  -44.1520
 P5Y  C07  C  CH2   0  -0.380  -13.7813   3.7320  -44.7865
 P5Y  C09  C  CH2   0  -0.401  -15.4579   5.5256  -45.1515
 P5Y  C16  C  CR6   0   0.111  -17.5758   7.9994  -46.5291
 P5Y  C18  C  CR16  0  -0.240  -19.7451   7.4840  -47.4458
 P5Y  C19  C  CR16  0  -0.260  -19.1706   7.2590  -48.6919
 P5Y  C23  C  CR6   0  -0.063  -11.9384   5.7918  -43.8326
 P5Y  C29  C  CR16  0  -0.281  -10.1229   5.7727  -42.2472
 P5Y  C30  C  CR16  0  -0.237   -9.2400   5.4110  -43.2532
 P5Y  C31  C  CR16  0  -0.234   -9.6999   5.2422  -44.5491
 P5Y  C32  C  CR16  0  -0.243  -11.0438   5.4301  -44.8337
 P5Y  C34  C  CR16  0  -0.291  -15.3023   1.7430  -44.9047
 P5Y  C35  C  CR16  0  -0.266  -16.1615   0.8194  -44.3258
 P5Y  N08  N  NT    0  -0.451  -14.1629   5.1270  -44.6312
 P5Y  N11  N  N     0  -0.323  -16.6637   5.7629  -42.9696
 P5Y  N13  N  N     0  -0.087  -17.5100   7.7273  -43.1721
 P5Y  N14  N  NR5   0  -0.312  -16.8129   7.4542  -44.2643
 P5Y  N36  N  NH1   0  -0.376  -18.3447  -0.5745  -43.0529
 P5Y  O01  O  O     0  -0.469  -17.2141  -0.3634  -41.1097
 P5Y  O33  O  O     0  -0.463  -13.7117   7.2884  -44.2249
 P5Y  O37  O  OH1   0  -0.538  -19.1239  -1.5891  -42.5949
 P5Y  H1   H  HCH2  0   0.300  -15.6673   8.4836  -45.6431
 P5Y  H2   H  HCH2  0   0.312  -17.0213   9.3664  -44.9583
 P5Y  H3   H  HCR6  0   0.257  -19.4097   8.0330  -45.4043
 P5Y  H4   H  HCR6  0   0.262  -17.3477   7.2336  -49.8237
 P5Y  H5   H  HCR6  0   0.262  -15.9378   7.8898  -47.9110
 P5Y  H6   H  HCR6  0   0.263  -16.1624   2.0283  -41.1652
 P5Y  H7   H  HCR6  0   0.250  -14.6706   3.6682  -42.2009
 P5Y  H8   H  HCH2  0   0.280  -13.6804   3.4983  -45.8499
 P5Y  H9   H  HCH2  0   0.299  -12.7990   3.5847  -44.3413
 P5Y  H10  H  HCH2  0   0.299  -15.3396   6.1433  -46.0440
 P5Y  H11  H  HCH2  0   0.316  -15.9900   4.6288  -45.4688
 P5Y  H12  H  HCR6  0   0.262  -20.8136   7.3750  -47.3131
 P5Y  H13  H  HCR6  0   0.261  -19.7902   6.9706  -49.5311
 P5Y  H14  H  HCR6  0   0.281   -9.7470   5.8989  -41.2412
 P5Y  H15  H  HCR6  0   0.276   -8.1946   5.2625  -43.0201
 P5Y  H16  H  HCR6  0   0.276   -9.0171   4.9651  -45.3409
 P5Y  H17  H  HCR6  0   0.281  -11.3983   5.2978  -45.8483
 P5Y  H18  H  HCR6  0   0.265  -15.0502   1.6485  -45.9540
 P5Y  H19  H  HCR6  0   0.265  -16.5499   0.0157  -44.9379
 P5Y  H20  H  HNH1  0   0.423  -18.5125  -0.2983  -44.0089
 P5Y  H21  H  HOH1  0   0.479  -19.8890  -1.1789  -42.1693
 P5Y  C25  C  CT    0   1.073  -12.3798   6.4156  -41.4230
 P5Y  C02  C  C     0   0.492  -17.3666  -0.0682  -42.2836
 P5Y  F26  F  F     0  -0.302  -11.9332   6.0303  -40.2233
 P5Y  F27  F  F     0  -0.310  -12.4957   7.7486  -41.3800
 P5Y  F28  F  F     0  -0.308  -13.6180   5.9213  -41.5485

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
 P5Y  C19  C20  aromatic  1.387  0.020  1.387
 P5Y  C19  C18  aromatic  1.391  0.020  1.391
 P5Y  C20  C21  aromatic  1.390  0.020  1.390
 P5Y  C18  C17  aromatic  1.386  0.020  1.386
 P5Y  C21  C16  aromatic  1.390  0.020  1.390
 P5Y  C17  C16  aromatic  1.393  0.020  1.393
 P5Y  C16  C15  single    1.506  0.020  1.506
 P5Y  C15  N14  single    1.451  0.020  1.451
 P5Y  C09  N08  single    1.451  0.020  1.451
 P5Y  C09  C10  single    1.492  0.020  1.492
 P5Y  C07  N08  single    1.455  0.020  1.455
 P5Y  C07  C06  single    1.506  0.020  1.506
 P5Y  N08  C22  single    1.348  0.020  1.348
 P5Y  N14  C10  aromatic  1.336  0.020  1.336
 P5Y  N14  N13  aromatic  1.324  0.020  1.324
 P5Y  C10  N11  aromatic  1.310  0.020  1.310
 P5Y  C34  C06  aromatic  1.389  0.020  1.389
 P5Y  C34  C35  aromatic  1.388  0.020  1.388
 P5Y  C32  C31  aromatic  1.386  0.020  1.386
 P5Y  C32  C23  aromatic  1.390  0.020  1.390
 P5Y  C22  O33  double    1.221  0.020  1.221
 P5Y  C22  C23  single    1.501  0.020  1.501
 P5Y  C06  C05  aromatic  1.392  0.020  1.392
 P5Y  C31  C30  aromatic  1.385  0.020  1.385
 P5Y  N13  N12  aromatic  1.275  0.020  1.275
 P5Y  C35  C03  aromatic  1.391  0.020  1.391
 P5Y  C23  C24  aromatic  1.396  0.020  1.396
 P5Y  N11  N12  aromatic  1.331  0.020  1.331
 P5Y  C05  C04  aromatic  1.382  0.020  1.382
 P5Y  C30  C29  aromatic  1.387  0.020  1.387
 P5Y  C03  C04  aromatic  1.394  0.020  1.394
 P5Y  C03  C02  single    1.493  0.020  1.493
 P5Y  C24  C29  aromatic  1.390  0.020  1.390
 P5Y  C24  C25  single    1.501  0.020  1.501
 P5Y  N36  C02  single    1.343  0.020  1.343
 P5Y  N36  O37  single    1.359  0.020  1.359
 P5Y  F28  C25  single    1.339  0.020  1.339
 P5Y  C02  O01  double    1.220  0.020  1.220
 P5Y  C25  F27  single    1.339  0.020  1.339
 P5Y  C25  F26  single    1.337  0.020  1.337
 P5Y  C15  H1   single    0.970  0.020  1.090
 P5Y  C15  H2   single    0.970  0.020  1.090
 P5Y  C17  H3   single    0.930  0.020  1.080
 P5Y  C20  H4   single    0.930  0.020  1.080
 P5Y  C21  H5   single    0.930  0.020  1.080
 P5Y  C04  H6   single    0.930  0.020  1.080
 P5Y  C05  H7   single    0.930  0.020  1.080
 P5Y  C07  H8   single    0.970  0.020  1.090
 P5Y  C07  H9   single    0.970  0.020  1.090
 P5Y  C09  H10  single    0.970  0.020  1.090
 P5Y  C09  H11  single    0.970  0.020  1.090
 P5Y  C18  H12  single    0.930  0.020  1.080
 P5Y  C19  H13  single    0.930  0.020  1.080
 P5Y  C29  H14  single    0.930  0.020  1.080
 P5Y  C30  H15  single    0.930  0.020  1.080
 P5Y  C31  H16  single    0.930  0.020  1.080
 P5Y  C32  H17  single    0.930  0.020  1.080
 P5Y  C34  H18  single    0.930  0.020  1.080
 P5Y  C35  H19  single    0.930  0.020  1.080
 P5Y  N36  H20  single    0.860  0.020  1.020
 P5Y  O37  H21  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
 P5Y  N14  C10  N11  107.57  3.000
 P5Y  N11  C10  C09  126.58  3.000
 P5Y  N14  C10  C09  125.83  3.000
 P5Y  N13  N12  N11  111.08  3.000
 P5Y  H2   C15  H1   107.37  3.000
 P5Y  H2   C15  N14  106.33  3.000
 P5Y  H1   C15  N14  108.08  3.000
 P5Y  H2   C15  C16  111.24  3.000
 P5Y  H1   C15  C16  111.60  3.000
 P5Y  N14  C15  C16  111.96  3.000
 P5Y  H3   C17  C18  119.61  3.000
 P5Y  H3   C17  C16  120.08  3.000
 P5Y  C18  C17  C16  120.31  3.000
 P5Y  H4   C20  C19  120.19  3.000
 P5Y  H4   C20  C21  119.81  3.000
 P5Y  C19  C20  C21  120.00  3.000
 P5Y  H5   C21  C16  119.85  3.000
 P5Y  H5   C21  C20  119.72  3.000
 P5Y  C16  C21  C20  120.43  3.000
 P5Y  O33  C22  N08  121.72  3.000
 P5Y  O33  C22  C23  119.32  3.000
 P5Y  N08  C22  C23  118.92  3.000
 P5Y  C29  C24  C25  118.68  3.000
 P5Y  C25  C24  C23  121.49  3.000
 P5Y  C29  C24  C23  119.80  3.000
 P5Y  C35  C03  C04  119.12  3.000
 P5Y  C04  C03  C02  118.09  3.000
 P5Y  C35  C03  C02  122.74  3.000
 P5Y  H6   C04  C05  119.56  3.000
 P5Y  H6   C04  C03  119.91  3.000
 P5Y  C05  C04  C03  120.52  3.000
 P5Y  H7   C05  C06  120.08  3.000
 P5Y  H7   C05  C04  119.42  3.000
 P5Y  C06  C05  C04  120.50  3.000
 P5Y  C34  C06  C07  119.94  3.000
 P5Y  C34  C06  C05  118.93  3.000
 P5Y  C07  C06  C05  121.09  3.000
 P5Y  H9   C07  H8   106.59  3.000
 P5Y  H9   C07  N08  108.84  3.000
 P5Y  H8   C07  N08  109.45  3.000
 P5Y  H9   C07  C06  108.93  3.000
 P5Y  H8   C07  C06  109.47  3.000
 P5Y  N08  C07  C06  113.35  3.000
 P5Y  H11  C09  H10  106.28  3.000
 P5Y  H11  C09  N08  108.30  3.000
 P5Y  H10  C09  N08  110.59  3.000
 P5Y  H11  C09  C10  108.45  3.000
 P5Y  H10  C09  C10  110.49  3.000
 P5Y  N08  C09  C10  112.49  3.000
 P5Y  C21  C16  C17  119.32  3.000
 P5Y  C17  C16  C15  120.25  3.000
 P5Y  C21  C16  C15  120.44  3.000
 P5Y  H12  C18  C19  120.10  3.000
 P5Y  H12  C18  C17  119.77  3.000
 P5Y  C19  C18  C17  120.13  3.000
 P5Y  H13  C19  C18  120.09  3.000
 P5Y  H13  C19  C20  120.10  3.000
 P5Y  C18  C19  C20  119.80  3.000
 P5Y  C32  C23  C24  119.27  3.000
 P5Y  C24  C23  C22  122.31  3.000
 P5Y  C32  C23  C22  118.05  3.000
 P5Y  H14  C29  C30  118.95  3.000
 P5Y  H14  C29  C24  120.62  3.000
 P5Y  C30  C29  C24  120.42  3.000
 P5Y  H15  C30  C31  120.39  3.000
 P5Y  H15  C30  C29  119.67  3.000
 P5Y  C31  C30  C29  119.94  3.000
 P5Y  H16  C31  C32  119.76  3.000
 P5Y  H16  C31  C30  120.42  3.000
 P5Y  C32  C31  C30  119.82  3.000
 P5Y  H17  C32  C31  119.54  3.000
 P5Y  H17  C32  C23  119.72  3.000
 P5Y  C31  C32  C23  120.74  3.000
 P5Y  H18  C34  C35  119.34  3.000
 P5Y  H18  C34  C06  119.85  3.000
 P5Y  C35  C34  C06  120.80  3.000
 P5Y  H19  C35  C34  118.71  3.000
 P5Y  H19  C35  C03  121.17  3.000
 P5Y  C34  C35  C03  120.11  3.000
 P5Y  C09  N08  C07  117.34  3.000
 P5Y  C07  N08  C22  125.55  3.000
 P5Y  C09  N08  C22  116.32  3.000
 P5Y  N12  N11  C10  106.25  3.000
 P5Y  N14  N13  N12  106.74  3.000
 P5Y  N13  N14  C15  121.56  3.000
 P5Y  N13  N14  C10  108.35  3.000
 P5Y  C15  N14  C10  130.09  3.000
 P5Y  H20  N36  O37  115.36  3.000
 P5Y  H20  N36  C02  124.08  3.000
 P5Y  O37  N36  C02  120.40  3.000
 P5Y  H21  O37  N36  106.59  3.000
 P5Y  F28  C25  F27  106.89  3.000
 P5Y  F27  C25  F26  106.68  3.000
 P5Y  F28  C25  F26  106.65  3.000
 P5Y  F26  C25  C24  111.95  3.000
 P5Y  F27  C25  C24  111.79  3.000
 P5Y  F28  C25  C24  112.49  3.000
 P5Y  O01  C02  N36  123.42  3.000
 P5Y  O01  C02  C03  122.18  3.000
 P5Y  N36  C02  C03  114.38  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
 P5Y  CONST_01  N12  N13  N14  C10     0.00   0.0  0
 P5Y  CONST_02  N13  N12  N11  C10     0.00   0.0  0
 P5Y  CONST_03  N14  C10  N11  N12     0.00   0.0  0
 P5Y  CONST_04  C20  C19  C18  C17     0.00   0.0  0
 P5Y  CONST_05  C20  C21  C16  C17     0.00   0.0  0
 P5Y  CONST_06  C18  C19  C20  C21     0.00   0.0  0
 P5Y  CONST_07  C18  C17  C16  C21     0.00   0.0  0
 P5Y  CONST_08  C31  C32  C23  C24     0.00   0.0  0
 P5Y  CONST_09  C31  C30  C29  C24     0.00   0.0  0
 P5Y  CONST_10  C06  C34  C35  C03     0.00   0.0  0
 P5Y  CONST_11  C06  C05  C04  C03     0.00   0.0  0
 P5Y  CONST_12  C34  C06  C05  C04     0.00   0.0  0
 P5Y  CONST_13  C34  C35  C03  C04     0.00   0.0  0
 P5Y  CONST_14  C35  C34  C06  C05     0.00   0.0  0
 P5Y  CONST_15  C35  C03  C04  C05     0.00   0.0  0
 P5Y  CONST_16  C19  C20  C21  C16     0.00   0.0  0
 P5Y  CONST_17  C19  C18  C17  C16     0.00   0.0  0
 P5Y  CONST_18  C30  C31  C32  C23     0.00   0.0  0
 P5Y  CONST_19  C30  C29  C24  C23     0.00   0.0  0
 P5Y  CONST_20  C32  C31  C30  C29     0.00   0.0  0
 P5Y  CONST_21  C32  C23  C24  C29     0.00   0.0  0
 P5Y  CONST_22  N13  N14  C10  N11     0.00   0.0  0
 P5Y  CONST_23  N14  N13  N12  N11     0.00   0.0  0
 P5Y  CONST_24  C15  N14  N13  N12   180.00   0.0  0
 P5Y  CONST_25  C09  C10  N11  N12   180.00   0.0  0
 P5Y  CONST_26  C20  C21  C16  C15   180.00   0.0  0
 P5Y  CONST_27  C18  C17  C16  C15   180.00   0.0  0
 P5Y  CONST_28  N11  C10  N14  C15   180.00   0.0  0
 P5Y  CONST_29  C31  C32  C23  C22   180.00   0.0  0
 P5Y  CONST_30  C29  C24  C23  C22   180.00   0.0  0
 P5Y  CONST_31  C34  C35  C03  C02   180.00   0.0  0
 P5Y  CONST_32  C05  C04  C03  C02   180.00   0.0  0
 P5Y  CONST_33  C07  C06  C05  C04   180.00   0.0  0
 P5Y  CONST_34  C35  C34  C06  C07   180.00   0.0  0
 P5Y  CONST_35  N13  N14  C10  C09   180.00   0.0  0
 P5Y  CONST_36  C32  C23  C24  C25   180.00   0.0  0
 P5Y  CONST_37  C30  C29  C24  C25   180.00   0.0  0
 P5Y  CONST_38  H13  C19  C18  C17   180.00   0.0  0
 P5Y  CONST_39  H5   C21  C16  C17   180.00   0.0  0
 P5Y  CONST_40  H12  C18  C19  C20   180.00   0.0  0
 P5Y  CONST_41  H3   C17  C16  C21   180.00   0.0  0
 P5Y  CONST_42  H17  C32  C23  C24   180.00   0.0  0
 P5Y  CONST_43  H15  C30  C29  C24   180.00   0.0  0
 P5Y  CONST_44  H18  C34  C35  C03   180.00   0.0  0
 P5Y  CONST_45  H7   C05  C04  C03   180.00   0.0  0
 P5Y  CONST_46  H19  C35  C03  C04   180.00   0.0  0
 P5Y  CONST_47  H6   C04  C05  C06   180.00   0.0  0
 P5Y  CONST_48  H4   C20  C21  C16   180.00   0.0  0
 P5Y  CONST_49  H16  C31  C32  C23   180.00   0.0  0
 P5Y  CONST_50  H14  C29  C24  C23   180.00   0.0  0
 P5Y  CONST_51  O37  N36  C02  C03   180.00   0.0  0
 P5Y  CONST_52  C23  C22  N08  C07     0.00   0.0  0
 P5Y  CONST_53  C23  C22  N08  C09   180.00   0.0  0
 P5Y  CONST_54  H20  N36  C02  C03     0.00   0.0  0
 P5Y  CONST_55  O33  C22  N08  C07   180.00   0.0  0
 P5Y  CONST_56  O33  C22  N08  C09     0.00   0.0  0
 P5Y  CONST_57  O37  N36  C02  O01     0.00   0.0  0
 P5Y  Var_01    C16  C15  N14  C10    74.89  30.0  1
 P5Y  Var_02    N14  C15  C16  C17    59.34  30.0  2
 P5Y  Var_03    N08  C22  C23  C24  -115.35  30.0  2
 P5Y  Var_04    N36  C02  C03  C04   148.69  30.0  2
 P5Y  Var_05    N08  C07  C06  C05   -56.32  30.0  2
 P5Y  Var_06    F28  C25  C24  C23    35.01  30.0  2
 P5Y  Var_07    N14  C10  C09  N08   123.39  30.0  2
 P5Y  Var_08    C07  N08  C09  C10   127.32  30.0  3
 P5Y  Var_09    C06  C07  N08  C22   132.59  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
 P5Y  plan-1  C10  0.020
 P5Y  plan-1  N12  0.020
 P5Y  plan-1  C15  0.020
 P5Y  plan-1  C09  0.020
 P5Y  plan-1  N11  0.020
 P5Y  plan-1  N13  0.020
 P5Y  plan-1  N14  0.020
 P5Y  plan-2  C15  0.020
 P5Y  plan-2  C17  0.020
 P5Y  plan-2  C20  0.020
 P5Y  plan-2  C21  0.020
 P5Y  plan-2  C16  0.020
 P5Y  plan-2  C18  0.020
 P5Y  plan-2  C19  0.020
 P5Y  plan-2  H3   0.020
 P5Y  plan-2  H4   0.020
 P5Y  plan-2  H5   0.020
 P5Y  plan-2  H12  0.020
 P5Y  plan-2  H13  0.020
 P5Y  plan-3  C22  0.020
 P5Y  plan-3  C24  0.020
 P5Y  plan-3  C23  0.020
 P5Y  plan-3  C29  0.020
 P5Y  plan-3  C30  0.020
 P5Y  plan-3  C31  0.020
 P5Y  plan-3  C32  0.020
 P5Y  plan-3  H14  0.020
 P5Y  plan-3  H15  0.020
 P5Y  plan-3  H16  0.020
 P5Y  plan-3  H17  0.020
 P5Y  plan-3  C25  0.020
 P5Y  plan-4  C03  0.020
 P5Y  plan-4  C04  0.020
 P5Y  plan-4  C05  0.020
 P5Y  plan-4  C06  0.020
 P5Y  plan-4  C07  0.020
 P5Y  plan-4  C34  0.020
 P5Y  plan-4  C35  0.020
 P5Y  plan-4  H6   0.020
 P5Y  plan-4  H7   0.020
 P5Y  plan-4  H18  0.020
 P5Y  plan-4  H19  0.020
 P5Y  plan-4  C02  0.020
 P5Y  plan-5  C22  0.020
 P5Y  plan-5  C07  0.020
 P5Y  plan-5  C09  0.020
 P5Y  plan-5  C23  0.020
 P5Y  plan-5  N08  0.020
 P5Y  plan-5  O33  0.020
 P5Y  plan-6  C03  0.020
 P5Y  plan-6  N36  0.020
 P5Y  plan-6  O01  0.020
 P5Y  plan-6  O37  0.020
 P5Y  plan-6  H20  0.020
 P5Y  plan-6  C02  0.020

