# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Thu May  7 13:38:14 2020
#   Inital geometry file: a 169 line input string
#   Ligand name: N-(benzylsulfonyl)-D-phenylalanyl-N-(4-carbamimidoylbenzyl)glycinamide
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: NC(=N)c1ccc(CNC(=O)CNC(=O)[C@@H](Cc2ccccc2)N[S](=O)(=O)Cc3ccccc3)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
 UET  UET  N-(benzylsulfonyl)-D-phenylalanyl-N-(4-carbamimidoylbenzyl)glycinamide  ligand  65  36  .  2021-08-24  2021-08-24  
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as PERFECT
;

data_comp_UET
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
 UET  O3    O  OS    0  -0.662  -1.8926   1.3490   0.0566
 UET  S     S  S     0   1.379  -2.9157   0.8758   0.9793
 UET  O2    O  OS    0  -0.664  -3.2344   1.6608   2.1622
 UET  C17   C  CH2   0  -0.705  -4.4340   0.6568   0.0402
 UET  C18   C  CR6   0   0.126  -4.9099   1.9750  -0.4807
 UET  C23   C  CR16  0  -0.282  -4.4849   2.4305  -1.7257
 UET  C22   C  CR16  0  -0.242  -4.9130   3.6591  -2.2076
 UET  C21   C  CR16  0  -0.261  -5.7645   4.4473  -1.4443
 UET  C20   C  CR16  0  -0.243  -6.1887   4.0002  -0.1995
 UET  C19   C  CR16  0  -0.282  -5.7596   2.7716   0.2819
 UET  N4    N  NC1   0  -0.747  -2.5015  -0.6229   1.4763
 UET  C9    C  CH1   0  -0.208  -1.5226  -1.4608   0.8278
 UET  C10   C  CH2   0  -0.517  -2.1093  -2.8359   0.4647
 UET  C11   C  CR6   0   0.128  -3.2846  -2.6983  -0.4593
 UET  C16   C  CR16  0  -0.300  -3.0909  -2.3509  -1.7956
 UET  C15   C  CR16  0  -0.245  -4.1724  -2.1600  -2.6442
 UET  C14   C  CR16  0  -0.266  -5.4684  -2.3190  -2.1673
 UET  C13   C  CR16  0  -0.242  -5.6715  -2.6735  -0.8409
 UET  C12   C  CR16  0  -0.304  -4.5860  -2.8588   0.0061
 UET  C8    C  C     0   0.578  -0.3126  -1.6501   1.7411
 UET  O1    O  O     0  -0.487  -0.4345  -1.7206   2.9542
 UET  N3    N  NH1   0  -0.645   0.8543  -1.7800   1.1047
 UET  C7    C  CH2   0  -0.373   2.0883  -2.0329   1.7946
 UET  C6    C  C     0   0.526   3.2254  -2.0977   0.7889
 UET  O     O  O     0  -0.477   3.0440  -1.9373  -0.4076
 UET  N2    N  NH1   0  -0.638   4.4273  -2.3452   1.3243
 UET  C5    C  CH2   0  -0.338   5.6226  -2.4232   0.5216
 UET  C4    C  CR6   0   0.092   6.1269  -1.0893   0.0265
 UET  C3    C  CR16  0  -0.287   6.8864  -1.0302  -1.1393
 UET  C2    C  CR16  0  -0.261   7.4062   0.1705  -1.5901
 UET  C24   C  CR16  0  -0.276   5.8967   0.0883   0.7269
 UET  C25   C  CR16  0  -0.278   6.4194   1.2933   0.2794
 UET  C1    C  CR6   0   0.034   7.1855   1.3503  -0.8824
 UET  C     C  C     0   0.331   7.7481   2.6301  -1.3935
 UET  N1    N  NH2   0  -0.822   7.9235   3.6066  -0.4542
 UET  N     N  N     0  -0.652   7.9766   2.7420  -2.6458
 UET  H171  H  HCH2  0   0.316  -4.2053  -0.0495  -0.7595
 UET  H172  H  HCH2  0   0.317  -5.1499   0.1880   0.7162
 UET  H4    H  HNC1  0   0.421  -2.8364  -0.8926   2.3922
 UET  H23   H  HCR6  0   0.253  -3.8243   1.8173  -2.3261
 UET  H19   H  HCR6  0   0.257  -6.0968   2.4261   1.2512
 UET  H22   H  HCR6  0   0.260  -4.5816   4.0000  -3.1797
 UET  H21   H  HCR6  0   0.260  -6.1012   5.4048  -1.8196
 UET  H20   H  HCR6  0   0.260  -6.8558   4.6085   0.3970
 UET  H9    H  HCH1  0   0.293  -1.2111  -0.9646  -0.0925
 UET  H101  H  HCH2  0   0.273  -1.3229  -3.4322  -0.0046
 UET  H102  H  HCH2  0   0.269  -2.4032  -3.3579   1.3784
 UET  H16   H  HCR6  0   0.253  -2.0838  -2.2255  -2.1778
 UET  H12   H  HCR6  0   0.251  -4.7548  -3.1259   1.0424
 UET  H15   H  HCR6  0   0.258  -4.0034  -1.8886  -3.6783
 UET  H14   H  HCR6  0   0.257  -6.3131  -2.1697  -2.8271
 UET  H13   H  HCR6  0   0.257  -6.6771  -2.8007  -0.4614
 UET  H3    H  HNH1  0   0.407   0.9053  -1.6819   0.1010
 UET  H71C  H  HCH2  0   0.284   2.2982  -1.2450   2.5243
 UET  H72C  H  HCH2  0   0.285   2.0463  -2.9740   2.3510
 UET  H2    H  HNH1  0   0.415   4.5127  -2.4523   2.3220
 UET  H51C  H  HCH2  0   0.284   6.3899  -2.8923   1.1390
 UET  H52C  H  HCH2  0   0.263   5.4575  -3.0923  -0.3249
 UET  HA    H  HCR6  0   0.252   7.0727  -1.9361  -1.7046
 UET  H24   H  HCR6  0   0.248   5.2966   0.0789   1.6282
 UET  HB    H  HCR6  0   0.254   7.9923   0.1977  -2.4989
 UET  H25   H  HCR6  0   0.256   6.2033   2.1934   0.8408
 UET  H11N  H  HNH2  0   0.394   8.1007   3.3275   0.4967
 UET  H12N  H  HNH2  0   0.391   8.4383   4.4268  -0.7337
 UET  H     H  H     0   0.323   8.3847   3.6469  -2.8649

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
 UET  O3   S     double    1.457  0.020  1.457
 UET  S    O2    double    1.455  0.020  1.455
 UET  S    C17   single    1.799  0.020  1.799
 UET  S    N4    single    1.632  0.020  1.632
 UET  C17  C18   single    1.495  0.020  1.495
 UET  C18  C23   aromatic  1.392  0.020  1.392
 UET  C18  C19   aromatic  1.392  0.020  1.392
 UET  C23  C22   aromatic  1.387  0.020  1.387
 UET  C22  C21   aromatic  1.389  0.020  1.389
 UET  C21  C20   aromatic  1.389  0.020  1.389
 UET  C20  C19   aromatic  1.388  0.020  1.388
 UET  N4   C9    single    1.442  0.020  1.442
 UET  C9   C10   single    1.539  0.020  1.539
 UET  C9   C8    single    1.528  0.020  1.528
 UET  C10  C11   single    1.501  0.020  1.501
 UET  C11  C16   aromatic  1.394  0.020  1.394
 UET  C11  C12   aromatic  1.391  0.020  1.391
 UET  C16  C15   aromatic  1.388  0.020  1.388
 UET  C15  C14   aromatic  1.390  0.020  1.390
 UET  C14  C13   aromatic  1.388  0.020  1.388
 UET  C13  C12   aromatic  1.389  0.020  1.389
 UET  C8   O1    double    1.221  0.020  1.221
 UET  C8   N3    single    1.336  0.020  1.336
 UET  N3   C7    single    1.436  0.020  1.436
 UET  C7   C6    single    1.519  0.020  1.519
 UET  C6   O     double    1.221  0.020  1.221
 UET  C6   N2    single    1.339  0.020  1.339
 UET  N2   C5    single    1.442  0.020  1.442
 UET  C5   C4    single    1.510  0.020  1.510
 UET  C4   C3    aromatic  1.393  0.020  1.393
 UET  C4   C24   aromatic  1.389  0.020  1.389
 UET  C3   C2    aromatic  1.384  0.020  1.384
 UET  C2   C1    aromatic  1.393  0.020  1.393
 UET  C24  C25   aromatic  1.388  0.020  1.388
 UET  C25  C1    aromatic  1.393  0.020  1.393
 UET  C1   C     single    1.488  0.020  1.488
 UET  C    N1    single    1.366  0.020  1.366
 UET  C    N     double    1.278  0.020  1.278
 UET  C17  H171  single    0.970  0.020  1.090
 UET  C17  H172  single    0.970  0.020  1.090
 UET  N4   H4    single    0.860  0.020  1.020
 UET  C23  H23   single    0.930  0.020  1.080
 UET  C19  H19   single    0.930  0.020  1.080
 UET  C22  H22   single    0.930  0.020  1.080
 UET  C21  H21   single    0.930  0.020  1.080
 UET  C20  H20   single    0.930  0.020  1.080
 UET  C9   H9    single    0.970  0.020  1.090
 UET  C10  H101  single    0.970  0.020  1.090
 UET  C10  H102  single    0.970  0.020  1.090
 UET  C16  H16   single    0.930  0.020  1.080
 UET  C12  H12   single    0.930  0.020  1.080
 UET  C15  H15   single    0.930  0.020  1.080
 UET  C14  H14   single    0.930  0.020  1.080
 UET  C13  H13   single    0.930  0.020  1.080
 UET  N3   H3    single    0.860  0.020  1.020
 UET  C7   H71C  single    0.970  0.020  1.090
 UET  C7   H72C  single    0.970  0.020  1.090
 UET  N2   H2    single    0.860  0.020  1.020
 UET  C5   H51C  single    0.970  0.020  1.090
 UET  C5   H52C  single    0.970  0.020  1.090
 UET  C3   HA    single    0.930  0.020  1.080
 UET  C24  H24   single    0.930  0.020  1.080
 UET  C2   HB    single    0.930  0.020  1.080
 UET  C25  H25   single    0.930  0.020  1.080
 UET  N1   H11N  single    0.890  0.020  1.040
 UET  N1   H12N  single    0.890  0.020  1.040
 UET  N    H     single    0.860  0.020  1.020

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
 UET  N4    S    C17   105.15  3.000
 UET  N4    S    O2    107.66  3.000
 UET  C17   S    O2    107.78  3.000
 UET  N4    S    O3    108.23  3.000
 UET  C17   S    O3    107.56  3.000
 UET  O2    S    O3    119.57  3.000
 UET  H172  C17  H171  108.28  3.000
 UET  H172  C17  C18   112.70  3.000
 UET  H171  C17  C18   112.46  3.000
 UET  H172  C17  S     106.43  3.000
 UET  H171  C17  S     106.53  3.000
 UET  C18   C17  S     110.07  3.000
 UET  C19   C18  C23   119.27  3.000
 UET  C19   C18  C17   120.53  3.000
 UET  C23   C18  C17   120.19  3.000
 UET  H23   C23  C22   119.80  3.000
 UET  H23   C23  C18   119.79  3.000
 UET  C22   C23  C18   120.41  3.000
 UET  H22   C22  C21   120.18  3.000
 UET  H22   C22  C23   119.77  3.000
 UET  C21   C22  C23   120.05  3.000
 UET  H21   C21  C20   120.04  3.000
 UET  H21   C21  C22   120.15  3.000
 UET  C20   C21  C22   119.81  3.000
 UET  H20   C20  C19   119.81  3.000
 UET  H20   C20  C21   120.09  3.000
 UET  C19   C20  C21   120.10  3.000
 UET  H19   C19  C20   119.79  3.000
 UET  H19   C19  C18   119.86  3.000
 UET  C20   C19  C18   120.35  3.000
 UET  H4    N4   C9    118.48  3.000
 UET  H4    N4   S     115.87  3.000
 UET  C9    N4   S     124.65  3.000
 UET  H9    C9   C8    109.54  3.000
 UET  H9    C9   C10   108.44  3.000
 UET  C8    C9   C10   109.41  3.000
 UET  H9    C9   N4    107.99  3.000
 UET  C8    C9   N4    109.92  3.000
 UET  C10   C9   N4    111.50  3.000
 UET  H102  C10  H101  106.98  3.000
 UET  H102  C10  C11   110.36  3.000
 UET  H101  C10  C11   110.43  3.000
 UET  H102  C10  C9    109.41  3.000
 UET  H101  C10  C9    108.34  3.000
 UET  C11   C10  C9    111.21  3.000
 UET  C12   C11  C16   118.64  3.000
 UET  C12   C11  C10   121.05  3.000
 UET  C16   C11  C10   120.27  3.000
 UET  H16   C16  C15   119.49  3.000
 UET  H16   C16  C11   119.71  3.000
 UET  C15   C16  C11   120.80  3.000
 UET  H15   C15  C14   120.13  3.000
 UET  H15   C15  C16   119.80  3.000
 UET  C14   C15  C16   120.07  3.000
 UET  H14   C14  C13   120.25  3.000
 UET  H14   C14  C15   120.18  3.000
 UET  C13   C14  C15   119.57  3.000
 UET  H13   C13  C12   119.77  3.000
 UET  H13   C13  C14   120.07  3.000
 UET  C12   C13  C14   120.16  3.000
 UET  H12   C12  C13   119.62  3.000
 UET  H12   C12  C11   119.61  3.000
 UET  C13   C12  C11   120.76  3.000
 UET  N3    C8   O1    123.71  3.000
 UET  N3    C8   C9    114.78  3.000
 UET  O1    C8   C9    121.46  3.000
 UET  H3    N3   C7    116.82  3.000
 UET  H3    N3   C8    120.56  3.000
 UET  C7    N3   C8    122.61  3.000
 UET  H72C  C7   H71C  106.71  3.000
 UET  H72C  C7   C6    109.18  3.000
 UET  H71C  C7   C6    109.18  3.000
 UET  H72C  C7   N3    111.27  3.000
 UET  H71C  C7   N3    111.00  3.000
 UET  C6    C7   N3    109.42  3.000
 UET  N2    C6   O     123.34  3.000
 UET  N2    C6   C7    114.52  3.000
 UET  O     C6   C7    122.14  3.000
 UET  H2    N2   C5    118.39  3.000
 UET  H2    N2   C6    119.47  3.000
 UET  C5    N2   C6    122.11  3.000
 UET  H52C  C5   H51C  106.36  3.000
 UET  H52C  C5   C4    109.74  3.000
 UET  H51C  C5   C4    109.31  3.000
 UET  H52C  C5   N2    109.84  3.000
 UET  H51C  C5   N2    106.94  3.000
 UET  C4    C5   N2    114.31  3.000
 UET  C24   C4   C3    118.45  3.000
 UET  C24   C4   C5    121.89  3.000
 UET  C3    C4   C5    119.62  3.000
 UET  HA    C3   C2    119.38  3.000
 UET  HA    C3   C4    119.66  3.000
 UET  C2    C3   C4    120.95  3.000
 UET  HB    C2   C1    119.42  3.000
 UET  HB    C2   C3    119.94  3.000
 UET  C1    C2   C3    120.65  3.000
 UET  H24   C24  C25   118.99  3.000
 UET  H24   C24  C4    120.27  3.000
 UET  C25   C24  C4    120.73  3.000
 UET  H25   C25  C1    120.55  3.000
 UET  H25   C25  C24   118.65  3.000
 UET  C1    C25  C24   120.78  3.000
 UET  C     C1   C25   121.97  3.000
 UET  C     C1   C2    119.59  3.000
 UET  C25   C1   C2    118.43  3.000
 UET  N     C    N1    126.03  3.000
 UET  N     C    C1    118.64  3.000
 UET  N1    C    C1    115.28  3.000
 UET  H12N  N1   H11N  113.43  3.000
 UET  H12N  N1   C     117.17  3.000
 UET  H11N  N1   C     118.28  3.000
 UET  H     N    C     111.16  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
 UET  CONST_01  C21   C22  C23  C18     0.00   0.0  0
 UET  CONST_02  C21   C20  C19  C18     0.00   0.0  0
 UET  CONST_03  C20   C19  C18  C23     0.00   0.0  0
 UET  CONST_04  C20   C21  C22  C23     0.00   0.0  0
 UET  CONST_05  C19   C18  C23  C22     0.00   0.0  0
 UET  CONST_06  C19   C20  C21  C22     0.00   0.0  0
 UET  CONST_07  C14   C15  C16  C11     0.00   0.0  0
 UET  CONST_08  C14   C13  C12  C11     0.00   0.0  0
 UET  CONST_09  C13   C12  C11  C16     0.00   0.0  0
 UET  CONST_10  C13   C14  C15  C16     0.00   0.0  0
 UET  CONST_11  C12   C11  C16  C15     0.00   0.0  0
 UET  CONST_12  C12   C13  C14  C15     0.00   0.0  0
 UET  CONST_13  C1    C2   C3   C4      0.00   0.0  0
 UET  CONST_14  C1    C25  C24  C4      0.00   0.0  0
 UET  CONST_15  C25   C24  C4   C3      0.00   0.0  0
 UET  CONST_16  C25   C1   C2   C3      0.00   0.0  0
 UET  CONST_17  C24   C4   C3   C2      0.00   0.0  0
 UET  CONST_18  C24   C25  C1   C2      0.00   0.0  0
 UET  CONST_19  C22   C23  C18  C17   180.00   0.0  0
 UET  CONST_20  C20   C19  C18  C17   180.00   0.0  0
 UET  CONST_21  C15   C16  C11  C10   180.00   0.0  0
 UET  CONST_22  C13   C12  C11  C10   180.00   0.0  0
 UET  CONST_23  C2    C3   C4   C5    180.00   0.0  0
 UET  CONST_24  C25   C24  C4   C5    180.00   0.0  0
 UET  CONST_25  C     C1   C2   C3    180.00   0.0  0
 UET  CONST_26  C     C1   C25  C24   180.00   0.0  0
 UET  CONST_27  H22   C22  C23  C18   180.00   0.0  0
 UET  CONST_28  H20   C20  C19  C18   180.00   0.0  0
 UET  CONST_29  H19   C19  C18  C23   180.00   0.0  0
 UET  CONST_30  H21   C21  C22  C23   180.00   0.0  0
 UET  CONST_31  H23   C23  C22  C21   180.00   0.0  0
 UET  CONST_32  H15   C15  C16  C11   180.00   0.0  0
 UET  CONST_33  H13   C13  C12  C11   180.00   0.0  0
 UET  CONST_34  H12   C12  C11  C16   180.00   0.0  0
 UET  CONST_35  H14   C14  C15  C16   180.00   0.0  0
 UET  CONST_36  H16   C16  C15  C14   180.00   0.0  0
 UET  CONST_37  HB    C2   C3   C4    180.00   0.0  0
 UET  CONST_38  H25   C25  C24  C4    180.00   0.0  0
 UET  CONST_39  H24   C24  C4   C3    180.00   0.0  0
 UET  CONST_40  HA    C3   C4   C24   180.00   0.0  0
 UET  CONST_42  H12N  N1   C    C1    180.00   0.0  0
 UET  CONST_43  H     N    C    C1    180.00   0.0  0
 UET  CONST_44  C7    N3   C8   C9    180.00   0.0  0
 UET  CONST_45  C7    N3   C8   O1      0.00   0.0  0
 UET  CONST_46  C5    N2   C6   C7    180.00   0.0  0
 UET  CONST_47  C5    N2   C6   O       0.00   0.0  0
 UET  CONST_48  H3    N3   C8   C9      0.00   0.0  0
 UET  CONST_49  H2    N2   C6   C7      0.00   0.0  0
 UET  Var_01    C23   C18  C17  S      89.77  30.0  2
 UET  Var_02    C16   C11  C10  C9     73.26  30.0  2
 UET  Var_03    C3    C4   C5   N2   -154.05  30.0  2
 UET  Var_04    N1    C    C1   C2   -156.88  30.0  2
 UET  Var_05    C18   C17  S    O3    -64.39  30.0  3
 UET  Var_06    C4    C5   N2   C6     73.94  30.0  3
 UET  Var_07    C9    N4   S    O3    -16.13  30.0  3
 UET  Var_08    C6    C7   N3   C8   -178.86  30.0  3
 UET  Var_09    O     C6   C7   N3      0.60  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
 UET  chir_01  C9  N4  C10  C8  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
 UET  plan-1  C17   0.020
 UET  plan-1  C18   0.020
 UET  plan-1  C23   0.020
 UET  plan-1  C22   0.020
 UET  plan-1  C21   0.020
 UET  plan-1  C20   0.020
 UET  plan-1  C19   0.020
 UET  plan-1  H23   0.020
 UET  plan-1  H19   0.020
 UET  plan-1  H22   0.020
 UET  plan-1  H21   0.020
 UET  plan-1  H20   0.020
 UET  plan-2  C10   0.020
 UET  plan-2  C11   0.020
 UET  plan-2  C16   0.020
 UET  plan-2  C15   0.020
 UET  plan-2  C14   0.020
 UET  plan-2  C13   0.020
 UET  plan-2  C12   0.020
 UET  plan-2  H16   0.020
 UET  plan-2  H12   0.020
 UET  plan-2  H15   0.020
 UET  plan-2  H14   0.020
 UET  plan-2  H13   0.020
 UET  plan-3  C5    0.020
 UET  plan-3  C4    0.020
 UET  plan-3  C3    0.020
 UET  plan-3  C2    0.020
 UET  plan-3  C24   0.020
 UET  plan-3  C25   0.020
 UET  plan-3  C1    0.020
 UET  plan-3  C     0.020
 UET  plan-3  HA    0.020
 UET  plan-3  H24   0.020
 UET  plan-3  HB    0.020
 UET  plan-3  H25   0.020
 UET  plan-4  C9    0.020
 UET  plan-4  C8    0.020
 UET  plan-4  O1    0.020
 UET  plan-4  N3    0.020
 UET  plan-4  C7    0.020
 UET  plan-4  H3    0.020
 UET  plan-5  C7    0.020
 UET  plan-5  C6    0.020
 UET  plan-5  O     0.020
 UET  plan-5  N2    0.020
 UET  plan-5  C5    0.020
 UET  plan-5  H2    0.020
 UET  plan-6  C1    0.020
 UET  plan-6  C     0.020
 UET  plan-6  N1    0.020
 UET  plan-6  N     0.020
 UET  plan-6  H11N  0.020
 UET  plan-6  H12N  0.020
 UET  plan-6  H     0.020

