# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Mon May  4 03:02:58 2020
#   Inital geometry file: a 169 line input string
#   Ligand name: N-(benzylsulfonyl)-D-valyl-N-(4-carbamimidoylbenzyl)-L-prolinamide
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: CC(C)[C@@H](N[S](=O)(=O)Cc1ccccc1)C(=O)N2CCC[C@H]2C(=O)NCc3ccc(cc3)C(N)=N
#
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
 S54  S54  N-(benzylsulfonyl)-D-valyl-N-(4-carbamimidoylbenzyl)-L-prolinamide  peptide  68  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_S54
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
 S54  C7    C  CH2   0  -0.698  -4.7689  -0.5304   0.1234
 S54  S8    S  S     0   1.359  -3.4572   0.1212  -0.9192
 S54  C4    C  CR6   0   0.113  -4.8940  -2.0065  -0.0834
 S54  C5    C  CR16  0  -0.278  -5.6635  -2.5073  -1.1301
 S54  C6    C  CR16  0  -0.242  -5.7624  -3.8761  -1.3346
 S54  C1    C  CR16  0  -0.260  -5.0893  -4.7560  -0.4970
 S54  C2    C  CR16  0  -0.242  -4.3183  -4.2620   0.5473
 S54  C3    C  CR16  0  -0.282  -4.2167  -2.8930   0.7489
 S54  O22   O  OS    0  -0.646  -2.2229  -0.5663  -0.5661
 S54  O23   O  OS    0  -0.665  -3.9121   0.1024  -2.3025
 S54  N9    N  NC1   0  -0.725  -3.3979   1.7074  -0.4488
 S54  C10   C  CH1   0  -0.229  -2.4116   2.0945   0.5422
 S54  C18   C  CH1   0  -0.241  -2.8643   3.3755   1.2724
 S54  C19   C  CH3   0  -0.669  -3.0093   4.5761   0.3429
 S54  C20   C  CH3   0  -0.651  -4.1547   3.1158   2.0410
 S54  C11   C  C     0   0.589  -1.0401   2.2778  -0.1092
 S54  O17   O  O     0  -0.493  -0.9444   2.5054  -1.3077
 S54  N12   N  NT    0  -0.461   0.0305   2.2522   0.6971
 S54  C13   C  CH1   0  -0.225   1.3480   2.4866   0.1457
 S54  C24   C  C     0   0.584   1.7746   1.3347  -0.7581
 S54  O33   O  O     0  -0.467   1.3580   0.2009  -0.6060
 S54  C14   C  CH2   0  -0.469   2.2428   2.5400   1.3914
 S54  C15   C  CH2   0  -0.474   1.5507   1.5876   2.3596
 S54  C16   C  CH2   0  -0.281   0.0695   1.8367   2.0984
 S54  N25   N  NH1   0  -0.633   2.6958   1.6643  -1.6800
 S54  C26   C  CH2   0  -0.382   3.4253   0.6577  -2.4214
 S54  C27   C  CR6   0   0.117   4.3849  -0.1054  -1.5421
 S54  C32   C  CR16  0  -0.276   4.1946  -1.4514  -1.2634
 S54  C31   C  CR16  0  -0.281   5.0611  -2.1326  -0.4189
 S54  C30   C  CR6   0   0.035   6.1402  -1.4766   0.1673
 S54  C34   C  C     0   0.328   7.0846  -2.1763   1.0808
 S54  N35   N  N     0  -0.652   8.2849  -1.7468   1.1678
 S54  N36   N  NH2   0  -0.821   6.5734  -3.2696   1.7217
 S54  C29   C  CR16  0  -0.264   6.3409  -0.1278  -0.1251
 S54  C28   C  CR16  0  -0.279   5.4719   0.5475  -0.9627
 S54  H7    H  HCH2  0   0.323  -5.6734   0.0127  -0.1515
 S54  H7A   H  HCH2  0   0.314  -4.5136  -0.2792   1.1540
 S54  H5    H  HCR6  0   0.259  -6.1978  -1.8263  -1.7805
 S54  H6    H  HCR6  0   0.260  -6.3655  -4.2565  -2.1488
 S54  H1    H  HCR6  0   0.260  -5.1692  -5.8236  -0.6555
 S54  H2    H  HCR6  0   0.260  -3.7947  -4.9426   1.2058
 S54  H3    H  HCR6  0   0.257  -3.6190  -2.5128   1.5681
 S54  HN9   H  HNC1  0   0.411  -3.4311   2.3171  -1.2595
 S54  H10   H  HCH1  0   0.280  -2.3581   1.3035   1.2946
 S54  H18   H  HCH1  0   0.253  -2.0817   3.6038   2.0013
 S54  H19   H  HCH3  0   0.222  -3.7890   4.4174  -0.4047
 S54  H19A  H  HCH3  0   0.242  -3.2962   5.4556   0.9195
 S54  H19B  H  HCH3  0   0.238  -2.0831   4.8196  -0.1774
 S54  H20   H  HCH3  0   0.228  -4.0590   2.2517   2.7010
 S54  H20A  H  HCH3  0   0.237  -4.4077   3.9775   2.6596
 S54  H20B  H  HCH3  0   0.229  -4.9899   2.9329   1.3643
 S54  H13   H  HCH1  0   0.287   1.3735   3.4290  -0.4065
 S54  H14   H  HCH2  0   0.262   3.2764   2.2670   1.1780
 S54  H14A  H  HCH2  0   0.261   2.2454   3.5571   1.7869
 S54  H15   H  HCH2  0   0.249   1.8067   0.5534   2.1281
 S54  H15A  H  HCH2  0   0.259   1.8146   1.7747   3.3991
 S54  H16   H  HCH2  0   0.248  -0.3129   2.6283   2.7478
 S54  H16A  H  HCH2  0   0.259  -0.5319   0.9434   2.2675
 S54  HN25  H  HNH1  0   0.404   3.0197   2.6163  -1.7323
 S54  H26   H  HCH2  0   0.263   2.7269  -0.0261  -2.9049
 S54  H26A  H  HCH2  0   0.276   3.9676   1.1728  -3.2142
 S54  H32   H  HCR6  0   0.252   3.3609  -1.9799  -1.7081
 S54  H31   H  HCR6  0   0.256   4.8894  -3.1852  -0.2329
 S54  HN35  H  H     0   0.323   8.8181  -2.2818   1.8482
 S54  HN36  H  HNH2  0   0.394   5.5856  -3.2886   1.9160
 S54  HN3A  H  HNH2  0   0.390   7.1337  -3.6751   2.4546
 S54  H29   H  HCR6  0   0.253   7.1807   0.3915   0.3167
 S54  H28   H  HCR6  0   0.251   5.6422   1.5980  -1.1690

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
 S54  C1   C2    aromatic  1.389  0.020  1.389
 S54  C1   C6    aromatic  1.389  0.020  1.389
 S54  C2   C3    aromatic  1.387  0.020  1.387
 S54  C3   C4    aromatic  1.392  0.020  1.392
 S54  C4   C5    aromatic  1.392  0.020  1.392
 S54  C4   C7    single    1.496  0.020  1.496
 S54  C5   C6    aromatic  1.388  0.020  1.388
 S54  C7   S8    single    1.798  0.020  1.798
 S54  S8   N9    single    1.656  0.020  1.656
 S54  S8   O22   double    1.456  0.020  1.456
 S54  S8   O23   double    1.456  0.020  1.456
 S54  N9   C10   single    1.451  0.020  1.451
 S54  C10  C11   single    1.529  0.020  1.529
 S54  C10  C18   single    1.542  0.020  1.542
 S54  C11  N12   single    1.340  0.020  1.340
 S54  C11  O17   double    1.224  0.020  1.224
 S54  N12  C13   single    1.447  0.020  1.447
 S54  N12  C16   single    1.462  0.020  1.462
 S54  C13  C14   single    1.535  0.020  1.535
 S54  C13  C24   single    1.525  0.020  1.525
 S54  C14  C15   single    1.524  0.020  1.524
 S54  C15  C16   single    1.525  0.020  1.525
 S54  C18  C19   single    1.525  0.020  1.525
 S54  C18  C20   single    1.524  0.020  1.524
 S54  C24  N25   single    1.344  0.020  1.344
 S54  C24  O33   double    1.217  0.020  1.217
 S54  N25  C26   single    1.447  0.020  1.447
 S54  C26  C27   single    1.509  0.020  1.509
 S54  C27  C28   aromatic  1.394  0.020  1.394
 S54  C27  C32   aromatic  1.388  0.020  1.388
 S54  C28  C29   aromatic  1.383  0.020  1.383
 S54  C29  C30   aromatic  1.395  0.020  1.395
 S54  C30  C31   aromatic  1.392  0.020  1.392
 S54  C30  C34   single    1.489  0.020  1.489
 S54  C31  C32   aromatic  1.389  0.020  1.389
 S54  C34  N35   double    1.278  0.020  1.278
 S54  C34  N36   single    1.367  0.020  1.367
 S54  C1   H1    single    0.930  0.020  1.080
 S54  C2   H2    single    0.930  0.020  1.080
 S54  C3   H3    single    0.930  0.020  1.080
 S54  C5   H5    single    0.930  0.020  1.080
 S54  C6   H6    single    0.930  0.020  1.080
 S54  C7   H7    single    0.970  0.020  1.090
 S54  C7   H7A   single    0.970  0.020  1.090
 S54  N9   HN9   single    0.890  0.020  1.040
 S54  C10  H10   single    0.970  0.020  1.090
 S54  C13  H13   single    0.970  0.020  1.090
 S54  C14  H14   single    0.970  0.020  1.090
 S54  C14  H14A  single    0.970  0.020  1.090
 S54  C15  H15   single    0.970  0.020  1.090
 S54  C15  H15A  single    0.970  0.020  1.090
 S54  C16  H16   single    0.970  0.020  1.090
 S54  C16  H16A  single    0.970  0.020  1.090
 S54  C18  H18   single    0.970  0.020  1.090
 S54  C19  H19   single    0.970  0.020  1.090
 S54  C19  H19A  single    0.970  0.020  1.090
 S54  C19  H19B  single    0.970  0.020  1.090
 S54  C20  H20   single    0.970  0.020  1.090
 S54  C20  H20A  single    0.970  0.020  1.090
 S54  C20  H20B  single    0.970  0.020  1.090
 S54  N25  HN25  single    0.860  0.020  1.020
 S54  C26  H26   single    0.970  0.020  1.090
 S54  C26  H26A  single    0.970  0.020  1.090
 S54  C28  H28   single    0.930  0.020  1.080
 S54  C29  H29   single    0.930  0.020  1.080
 S54  C31  H31   single    0.930  0.020  1.080
 S54  C32  H32   single    0.930  0.020  1.080
 S54  N35  HN35  single    0.890  0.020  1.040
 S54  N36  HN36  single    0.890  0.020  1.040
 S54  N36  HN3A  single    0.890  0.020  1.040

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
 S54  H7A   C7   H7    108.52  3.000
 S54  H7A   C7   C4    112.17  3.000
 S54  H7    C7   C4    112.79  3.000
 S54  H7A   C7   S8    107.08  3.000
 S54  H7    C7   S8    106.17  3.000
 S54  C4    C7   S8    109.79  3.000
 S54  N9    S8   O23   107.06  3.000
 S54  O23   S8   O22   119.27  3.000
 S54  N9    S8   O22   110.67  3.000
 S54  O23   S8   C7    108.56  3.000
 S54  O22   S8   C7    107.86  3.000
 S54  N9    S8   C7    102.04  3.000
 S54  C3    C4   C5    119.30  3.000
 S54  C5    C4   C7    120.34  3.000
 S54  C3    C4   C7    120.34  3.000
 S54  H5    C5   C6    119.78  3.000
 S54  H5    C5   C4    119.88  3.000
 S54  C6    C5   C4    120.33  3.000
 S54  H6    C6   C1    120.07  3.000
 S54  H6    C6   C5    119.83  3.000
 S54  C1    C6   C5    120.10  3.000
 S54  H1    C1   C2    120.13  3.000
 S54  H1    C1   C6    120.06  3.000
 S54  C2    C1   C6    119.81  3.000
 S54  H2    C2   C3    119.78  3.000
 S54  H2    C2   C1    120.16  3.000
 S54  C3    C2   C1    120.06  3.000
 S54  H3    C3   C2    119.79  3.000
 S54  H3    C3   C4    119.82  3.000
 S54  C2    C3   C4    120.39  3.000
 S54  HN9   N9   C10   114.05  3.000
 S54  HN9   N9   S8    110.33  3.000
 S54  C10   N9   S8    118.30  3.000
 S54  H10   C10  C11   109.64  3.000
 S54  H10   C10  C18   106.83  3.000
 S54  C11   C10  C18   111.43  3.000
 S54  H10   C10  N9    108.08  3.000
 S54  C18   C10  N9    110.21  3.000
 S54  C11   C10  N9    110.53  3.000
 S54  H18   C18  C20   107.77  3.000
 S54  H18   C18  C19   108.05  3.000
 S54  C20   C18  C19   111.16  3.000
 S54  H18   C18  C10   106.19  3.000
 S54  C20   C18  C10   110.23  3.000
 S54  C19   C18  C10   113.15  3.000
 S54  H19B  C19  H19A  107.21  3.000
 S54  H19B  C19  H19   108.21  3.000
 S54  H19A  C19  H19   106.95  3.000
 S54  H19B  C19  C18   112.71  3.000
 S54  H19A  C19  C18   109.75  3.000
 S54  H19   C19  C18   111.76  3.000
 S54  H20B  C20  H20A  107.87  3.000
 S54  H20B  C20  H20   108.04  3.000
 S54  H20A  C20  H20   107.64  3.000
 S54  H20B  C20  C18   111.35  3.000
 S54  H20A  C20  C18   110.35  3.000
 S54  H20   C20  C18   111.44  3.000
 S54  N12   C11  O17   122.02  3.000
 S54  O17   C11  C10   120.64  3.000
 S54  N12   C11  C10   117.24  3.000
 S54  C16   N12  C13   112.76  3.000
 S54  C16   N12  C11   127.11  3.000
 S54  C13   N12  C11   119.65  3.000
 S54  H13   C13  C14   111.50  3.000
 S54  H13   C13  C24   110.21  3.000
 S54  C14   C13  C24   110.14  3.000
 S54  H13   C13  N12   110.70  3.000
 S54  C24   C13  N12   110.99  3.000
 S54  C14   C13  N12   103.13  3.000
 S54  N25   C24  O33   123.27  3.000
 S54  O33   C24  C13   122.25  3.000
 S54  N25   C24  C13   114.39  3.000
 S54  H14A  C14  H14   107.58  3.000
 S54  H14A  C14  C15   110.68  3.000
 S54  H14   C14  C15   113.48  3.000
 S54  H14A  C14  C13   109.15  3.000
 S54  H14   C14  C13   112.65  3.000
 S54  C15   C14  C13   103.24  3.000
 S54  H15A  C15  H15   107.99  3.000
 S54  H15A  C15  C16   111.78  3.000
 S54  H15   C15  C16   110.29  3.000
 S54  H15A  C15  C14   112.89  3.000
 S54  H15   C15  C14   110.56  3.000
 S54  C16   C15  C14   103.31  3.000
 S54  H16A  C16  H16   107.96  3.000
 S54  H16A  C16  C15   112.06  3.000
 S54  H16   C16  C15   110.89  3.000
 S54  H16A  C16  N12   111.52  3.000
 S54  H16   C16  N12   110.75  3.000
 S54  C15   C16  N12   103.69  3.000
 S54  HN25  N25  C26   117.95  3.000
 S54  HN25  N25  C24   119.20  3.000
 S54  C26   N25  C24   121.74  3.000
 S54  H26A  C26  H26   107.00  3.000
 S54  H26A  C26  C27   110.28  3.000
 S54  H26   C26  C27   110.40  3.000
 S54  H26A  C26  N25   107.14  3.000
 S54  H26   C26  N25   109.90  3.000
 S54  C27   C26  N25   111.95  3.000
 S54  C28   C27  C32   118.53  3.000
 S54  C32   C27  C26   121.37  3.000
 S54  C28   C27  C26   120.08  3.000
 S54  H32   C32  C31   119.40  3.000
 S54  H32   C32  C27   119.77  3.000
 S54  C31   C32  C27   120.83  3.000
 S54  H31   C31  C30   120.58  3.000
 S54  H31   C31  C32   118.85  3.000
 S54  C30   C31  C32   120.57  3.000
 S54  C29   C30  C34   119.47  3.000
 S54  C34   C30  C31   121.91  3.000
 S54  C29   C30  C31   118.62  3.000
 S54  N36   C34  N35   126.05  3.000
 S54  N36   C34  C30   115.25  3.000
 S54  N35   C34  C30   118.67  3.000
 S54  HN35  N35  C34   111.18  3.000
 S54  HN3A  N36  HN36  113.42  3.000
 S54  HN3A  N36  C34   117.07  3.000
 S54  HN36  N36  C34   118.20  3.000
 S54  H29   C29  C28   120.05  3.000
 S54  H29   C29  C30   119.37  3.000
 S54  C28   C29  C30   120.58  3.000
 S54  H28   C28  C29   119.32  3.000
 S54  H28   C28  C27   119.81  3.000
 S54  C29   C28  C27   120.86  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
 S54  CONST_01  C1    C2   C3   C4      0.00   0.0  0
 S54  CONST_02  C1    C6   C5   C4      0.00   0.0  0
 S54  CONST_03  C2    C3   C4   C5      0.00   0.0  0
 S54  CONST_04  C2    C1   C6   C5      0.00   0.0  0
 S54  CONST_05  C3    C2   C1   C6      0.00   0.0  0
 S54  CONST_06  C3    C4   C5   C6      0.00   0.0  0
 S54  CONST_07  C30   C29  C28  C27     0.00   0.0  0
 S54  CONST_08  C30   C31  C32  C27     0.00   0.0  0
 S54  CONST_09  C29   C28  C27  C32     0.00   0.0  0
 S54  CONST_10  C29   C30  C31  C32     0.00   0.0  0
 S54  CONST_11  C28   C29  C30  C31     0.00   0.0  0
 S54  CONST_12  C28   C27  C32  C31     0.00   0.0  0
 S54  CONST_13  C2    C3   C4   C7    180.00   0.0  0
 S54  CONST_14  C6    C5   C4   C7    180.00   0.0  0
 S54  CONST_15  C29   C28  C27  C26   180.00   0.0  0
 S54  CONST_16  C31   C32  C27  C26   180.00   0.0  0
 S54  CONST_17  C34   C30  C31  C32   180.00   0.0  0
 S54  CONST_18  C28   C29  C30  C34   180.00   0.0  0
 S54  CONST_19  H2    C2   C3   C4    180.00   0.0  0
 S54  CONST_20  H6    C6   C5   C4    180.00   0.0  0
 S54  CONST_21  H3    C3   C4   C5    180.00   0.0  0
 S54  CONST_22  H1    C1   C6   C5    180.00   0.0  0
 S54  CONST_23  H5    C5   C6   C1    180.00   0.0  0
 S54  CONST_24  H29   C29  C28  C27   180.00   0.0  0
 S54  CONST_25  H31   C31  C32  C27   180.00   0.0  0
 S54  CONST_26  H28   C28  C27  C32   180.00   0.0  0
 S54  CONST_27  H32   C32  C31  C30   180.00   0.0  0
 S54  CONST_28  C13   N12  C11  C10   180.00   0.0  0
 S54  CONST_29  C16   N12  C11  C10     0.00   0.0  0
 S54  CONST_30  C13   N12  C11  O17     0.00   0.0  0
 S54  CONST_31  C16   N12  C11  O17   180.00   0.0  0
 S54  CONST_32  C26   N25  C24  C13   180.00   0.0  0
 S54  CONST_33  HN25  N25  C24  C13     0.00   0.0  0
 S54  CONST_34  HN35  N35  C34  C30   180.00   0.0  0
 S54  CONST_36  HN3A  N36  C34  C30   180.00   0.0  0
 S54  CONST_37  C26   N25  C24  O33     0.00   0.0  0
 S54  Var_01    C14   C15  C16  N12    28.79  30.0  1
 S54  Var_02    C15   C16  N12  C13    -9.30  30.0  1
 S54  Var_03    C16   C15  C14  C13   -37.40  30.0  1
 S54  Var_04    C3    C4   C7   S8     93.64  30.0  2
 S54  Var_05    C28   C27  C26  N25   -65.49  30.0  2
 S54  Var_06    N35   C34  C30  C31   152.64  30.0  2
 S54  Var_07    N9    S8   C7   C4   -175.31  30.0  3
 S54  Var_08    C27   C26  N25  C24   -68.85  30.0  3
 S54  Var_09    C10   N9   S8   C7     96.52  30.0  3
 S54  Var_10    H19   C19  C18  C10    63.50  30.0  3
 S54  Var_11    H20   C20  C18  C10    53.19  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
 S54  chir_01  C10  N9   C11  C18  negativ
 S54  chir_02  C13  N12  C24  C14  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
 S54  plan-1  C7    0.020
 S54  plan-1  C4    0.020
 S54  plan-1  C5    0.020
 S54  plan-1  C6    0.020
 S54  plan-1  C1    0.020
 S54  plan-1  C2    0.020
 S54  plan-1  C3    0.020
 S54  plan-1  H5    0.020
 S54  plan-1  H6    0.020
 S54  plan-1  H1    0.020
 S54  plan-1  H2    0.020
 S54  plan-1  H3    0.020
 S54  plan-2  C26   0.020
 S54  plan-2  C27   0.020
 S54  plan-2  C32   0.020
 S54  plan-2  C31   0.020
 S54  plan-2  C30   0.020
 S54  plan-2  C34   0.020
 S54  plan-2  C29   0.020
 S54  plan-2  C28   0.020
 S54  plan-2  H32   0.020
 S54  plan-2  H31   0.020
 S54  plan-2  H29   0.020
 S54  plan-2  H28   0.020
 S54  plan-3  C13   0.020
 S54  plan-3  C24   0.020
 S54  plan-3  O33   0.020
 S54  plan-3  N25   0.020
 S54  plan-3  C26   0.020
 S54  plan-3  HN25  0.020
 S54  plan-4  C10   0.020
 S54  plan-4  C11   0.020
 S54  plan-4  O17   0.020
 S54  plan-4  N12   0.020
 S54  plan-4  C13   0.020
 S54  plan-4  C16   0.020
 S54  plan-5  C30   0.020
 S54  plan-5  C34   0.020
 S54  plan-5  N35   0.020
 S54  plan-5  N36   0.020
 S54  plan-5  HN35  0.020
 S54  plan-5  HN36  0.020
 S54  plan-5  HN3A  0.020

