# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Sun Mar 20 02:43:49 2022
#   Inital geometry file: a 172 line input string
#   Ligand name: amino{[(4S)-4-{[(2S)-2-{[(1R)-1-carboxyethyl]amino}-4-phenylbutanoyl]amino}-5-oxo-5-(phenylamino)pentyl]amino}methaniminium
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: C[C@@H](N[C@@H](CCc1ccccc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)Nc2ccccc2)C(O)=O
#
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
 INH  INH  amino{[(4S)-4-{[(2S)-2-{[(1R)-1-carboxyethyl]amino}-4-phenylbutanoyl]amino}-5-oxo-5-(phenylamino)pentyl]amino}methaniminium  ligand  69  35  .  2022-03-22  2022-03-22
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as PERFECT
;

data_comp_INH
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
 INH  C1   C  CH3    0  -0.673  -20.1946   92.4213  79.7189
 INH  C2   C  CH1    0  -0.240  -20.1496   91.5994  81.0017
 INH  C3   C  C      0   0.403  -21.2433   92.0273  82.0241
 INH  O4   O  O      0  -0.604  -22.3502   92.3522  81.5499
 INH  O5   O  OC    -1  -0.604  -20.9433   91.9587  83.2338
 INH  N6   N  NH1    0  -0.593  -18.8024   91.5296  81.5551
 INH  C7   C  CH1    0  -0.185  -18.2299   92.8058  81.9436
 INH  C8   C  CH2    0  -0.452  -17.4021   92.6446  83.2208
 INH  C9   C  CH2    0  -0.534  -16.7922   93.9480  83.7345
 INH  C10  C  CR6    0   0.141  -16.1174   93.7514  85.0629
 INH  C11  C  CR16   0  -0.311  -16.8088   93.9697  86.2523
 INH  C12  C  CR16   0  -0.237  -16.1993   93.7550  87.4813
 INH  C13  C  CR16   0  -0.272  -14.8839   93.3133  87.5390
 INH  C14  C  CR16   0  -0.238  -14.1838   93.0916  86.3599
 INH  C15  C  CR16   0  -0.309  -14.7975   93.3102  85.1339
 INH  C16  C  C      0   0.570  -17.3247   93.3299  80.8286
 INH  O17  O  O      0  -0.484  -16.4474   92.6548  80.3118
 INH  N18  N  NH1    0  -0.637  -17.5394   94.6064  80.4609
 INH  C19  C  CH1    0  -0.197  -16.7853   95.2270  79.4072
 INH  C20  C  CH2    0  -0.461  -17.3787   96.5945  79.0627
 INH  C21  C  CH2    0  -0.481  -18.7942   96.4893  78.5104
 INH  C22  C  CH2    0  -0.272  -19.3374   97.8537  78.1202
 INH  N23  N  NH1    0  -0.636  -20.7096   97.7161  77.6630
 INH  C24  C  C      0   0.827  -21.4246   98.6831  77.1039
 INH  N25  N  NH2    0  -0.821  -22.6641   98.4335  76.6978
 INH  N26  N  NC2    1  -0.815  -20.9051   99.8911  76.9327
 INH  C27  C  C      0   0.550  -15.3219   95.4008  79.8240
 INH  O28  O  O      0  -0.453  -15.0165   95.7226  80.9555
 INH  N29  N  NH1    0  -0.739  -14.4457   95.2164  78.8089
 INH  C30  C  CR6    0   0.373  -13.0519   95.3427  78.8036
 INH  C31  C  CR16   0  -0.346  -12.4009   95.0734  77.5965
 INH  C32  C  CR16   0  -0.242  -11.0233   95.1646  77.5005
 INH  C33  C  CR16   0  -0.270  -10.2639   95.5270  78.6057
 INH  C34  C  CR16   0  -0.242  -10.9094   95.7959  79.8030
 INH  C35  C  CR16   0  -0.318  -12.2911   95.7083  79.9157
 INH  H36  H  HCH3   0   0.216  -20.0701   93.4901  79.9028
 INH  H37  H  HCH3   0   0.215  -19.4115   92.1074  79.0266
 INH  H38  H  HCH3   0   0.231  -21.1529   92.2927  79.2210
 INH  H39  H  HCH1   0   0.226  -20.4014   90.5672  80.7210
 INH  H40  H  HNH1   0   0.343  -18.8548   90.9526  82.3845
 INH  H41  H  HCH1   0   0.227  -19.0044   93.5583  82.1527
 INH  H42  H  HCH2   0   0.243  -18.0664   92.2368  83.9876
 INH  H43  H  HCH2   0   0.234  -16.6175   91.9009  83.0534
 INH  H44  H  HCH2   0   0.256  -16.0730   94.3429  83.0139
 INH  H45  H  HCH2   0   0.241  -17.5807   94.6995  83.8336
 INH  H46  H  HCR6   0   0.244  -17.8353   94.3166  86.2149
 INH  H47  H  HCR6   0   0.250  -16.7517   93.9355  88.3949
 INH  H48  H  HCR6   0   0.250  -14.4063   93.1470  88.4960
 INH  H49  H  HCR6   0   0.250  -13.1562   92.7524  86.3948
 INH  H50  H  HCR6   0   0.243  -14.2435   93.1412  84.2173
 INH  H51  H  HNH1   0   0.405  -18.2322   95.1486  80.9521
 INH  H52  H  HCH1   0   0.275  -16.8365   94.5950  78.5132
 INH  H53  H  HCH2   0   0.255  -17.3633   97.2303  79.9526
 INH  H54  H  HCH2   0   0.266  -16.7333   97.0719  78.3219
 INH  H55  H  HCH2   0   0.255  -18.8024   95.8324  77.6367
 INH  H56  H  HCH2   0   0.254  -19.4631   96.0432  79.2515
 INH  H57  H  HCH2   0   0.260  -19.2878   98.5325  78.9770
 INH  H58  H  HCH2   0   0.260  -18.7227   98.2773  77.3216
 INH  H59  H  HNH1   0   0.428  -21.1711   96.8356  77.8349
 INH  H60  H  HNH2   0   0.432  -23.2507   99.1618  76.3270
 INH  H61  H  HNH2   0   0.432  -23.0757   97.5213  76.8038
 INH  H62  H  HNC2   0   0.445  -19.9991  100.1374  77.2930
 INH  H63  H  HNC2   0   0.435  -21.4367  100.6269  76.4973
 INH  H64  H  HNH1   0   0.418  -14.8462   94.9296  77.9278
 INH  H65  H  HCR6   0   0.268  -12.9795   94.7890  76.7250
 INH  H66  H  HCR6   0   0.258  -10.5433   94.9493  76.5547
 INH  H67  H  HCR6   0   0.254   -9.1869   95.5976  78.5332
 INH  H68  H  HCR6   0   0.256  -10.3341   96.0796  80.6751
 INH  H69  H  HCR6   0   0.279  -12.7588   95.9218  80.8621

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
 INH  C1   C2   single    1.524  0.020  1.524
 INH  C1   H36  single    0.970  0.020  1.090
 INH  C1   H37  single    0.970  0.020  1.090
 INH  C1   H38  single    0.970  0.020  1.090
 INH  C2   C3   single    1.557  0.020  1.557
 INH  C2   N6   single    1.458  0.020  1.458
 INH  C2   H39  single    0.970  0.020  1.090
 INH  C3   O4   deloc     1.247  0.020  1.247
 INH  C3   O5   deloc     1.248  0.020  1.248
 INH  N6   C7   single    1.452  0.020  1.452
 INH  N6   H40  single    0.890  0.020  1.040
 INH  C7   C8   single    1.531  0.020  1.531
 INH  C7   C16  single    1.529  0.020  1.529
 INH  C7   H41  single    0.970  0.020  1.090
 INH  C8   C9   single    1.528  0.020  1.528
 INH  C8   H42  single    0.970  0.020  1.090
 INH  C8   H43  single    0.970  0.020  1.090
 INH  C9   C10  single    1.503  0.020  1.503
 INH  C9   H44  single    0.970  0.020  1.090
 INH  C9   H45  single    0.970  0.020  1.090
 INH  C10  C11  aromatic  1.393  0.020  1.393
 INH  C10  C15  aromatic  1.393  0.020  1.393
 INH  C11  C12  aromatic  1.389  0.020  1.389
 INH  C11  H46  single    0.930  0.020  1.080
 INH  C12  C13  aromatic  1.389  0.020  1.389
 INH  C12  H47  single    0.930  0.020  1.080
 INH  C13  C14  aromatic  1.389  0.020  1.389
 INH  C13  H48  single    0.930  0.020  1.080
 INH  C14  C15  aromatic  1.388  0.020  1.388
 INH  C14  H49  single    0.930  0.020  1.080
 INH  C15  H50  single    0.930  0.020  1.080
 INH  C16  O17  double    1.222  0.020  1.222
 INH  C16  N18  single    1.346  0.020  1.346
 INH  N18  C19  single    1.437  0.020  1.437
 INH  N18  H51  single    0.860  0.020  1.020
 INH  C19  C20  single    1.530  0.020  1.530
 INH  C19  C27  single    1.531  0.020  1.531
 INH  C19  H52  single    0.970  0.020  1.090
 INH  C20  C21  single    1.523  0.020  1.523
 INH  C20  H53  single    0.970  0.020  1.090
 INH  C20  H54  single    0.970  0.020  1.090
 INH  C21  C22  single    1.520  0.020  1.520
 INH  C21  H55  single    0.970  0.020  1.090
 INH  C21  H56  single    0.970  0.020  1.090
 INH  C22  N23  single    1.453  0.020  1.453
 INH  C22  H57  single    0.970  0.020  1.090
 INH  C22  H58  single    0.970  0.020  1.090
 INH  N23  C24  single    1.326  0.020  1.326
 INH  N23  H59  single    0.860  0.020  1.020
 INH  C24  N25  single    1.328  0.020  1.328
 INH  C24  N26  double    1.326  0.020  1.326
 INH  N25  H60  single    0.860  0.020  1.020
 INH  N25  H61  single    0.860  0.020  1.020
 INH  N26  H62  single    0.860  0.020  1.020
 INH  N26  H63  single    0.860  0.020  1.020
 INH  C27  O28  double    1.215  0.020  1.215
 INH  C27  N29  single    1.354  0.020  1.354
 INH  N29  C30  single    1.399  0.020  1.399
 INH  N29  H64  single    0.860  0.020  1.020
 INH  C30  C31  aromatic  1.398  0.020  1.398
 INH  C30  C35  aromatic  1.396  0.020  1.396
 INH  C31  C32  aromatic  1.384  0.020  1.384
 INH  C31  H65  single    0.930  0.020  1.080
 INH  C32  C33  aromatic  1.389  0.020  1.389
 INH  C32  H66  single    0.930  0.020  1.080
 INH  C33  C34  aromatic  1.386  0.020  1.386
 INH  C33  H67  single    0.930  0.020  1.080
 INH  C34  C35  aromatic  1.389  0.020  1.389
 INH  C34  H68  single    0.930  0.020  1.080
 INH  C35  H69  single    0.930  0.020  1.080

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
 INH  H38  C1   H37  107.93  3.000
 INH  H38  C1   H36  107.06  3.000
 INH  H37  C1   H36  107.85  3.000
 INH  H38  C1   C2   110.34  3.000
 INH  H37  C1   C2   110.96  3.000
 INH  H36  C1   C2   112.51  3.000
 INH  H39  C2   N6   105.29  3.000
 INH  H39  C2   C3   105.36  3.000
 INH  N6   C2   C3   114.39  3.000
 INH  H39  C2   C1   106.54  3.000
 INH  N6   C2   C1   111.87  3.000
 INH  C3   C2   C1   112.56  3.000
 INH  O5   C3   O4   126.59  3.000
 INH  O5   C3   C2   116.90  3.000
 INH  O4   C3   C2   116.44  3.000
 INH  H40  N6   C7   107.60  3.000
 INH  H40  N6   C2   106.89  3.000
 INH  C7   N6   C2   115.08  3.000
 INH  H41  C7   C16  108.73  3.000
 INH  H41  C7   C8   107.11  3.000
 INH  C16  C7   C8   108.94  3.000
 INH  H41  C7   N6   112.00  3.000
 INH  C16  C7   N6   109.86  3.000
 INH  C8   C7   N6   110.12  3.000
 INH  H43  C8   H42  106.83  3.000
 INH  H43  C8   C9   110.19  3.000
 INH  H42  C8   C9   108.96  3.000
 INH  H43  C8   C7   109.38  3.000
 INH  H42  C8   C7   107.21  3.000
 INH  C9   C8   C7   113.99  3.000
 INH  H45  C9   H44  106.63  3.000
 INH  H45  C9   C10  109.48  3.000
 INH  H44  C9   C10  109.56  3.000
 INH  H45  C9   C8   109.20  3.000
 INH  H44  C9   C8   110.46  3.000
 INH  C10  C9   C8   111.40  3.000
 INH  C15  C10  C11  118.44  3.000
 INH  C15  C10  C9   120.78  3.000
 INH  C11  C10  C9   120.75  3.000
 INH  H46  C11  C12  119.71  3.000
 INH  H46  C11  C10  119.38  3.000
 INH  C12  C11  C10  120.91  3.000
 INH  H47  C12  C13  120.08  3.000
 INH  H47  C12  C11  119.81  3.000
 INH  C13  C12  C11  120.11  3.000
 INH  H48  C13  C14  120.23  3.000
 INH  H48  C13  C12  120.23  3.000
 INH  C14  C13  C12  119.53  3.000
 INH  H49  C14  C15  119.83  3.000
 INH  H49  C14  C13  120.07  3.000
 INH  C15  C14  C13  120.11  3.000
 INH  H50  C15  C14  119.74  3.000
 INH  H50  C15  C10  119.36  3.000
 INH  C14  C15  C10  120.90  3.000
 INH  N18  C16  O17  121.55  3.000
 INH  N18  C16  C7   115.47  3.000
 INH  O17  C16  C7   122.97  3.000
 INH  H51  N18  C19  119.08  3.000
 INH  H51  N18  C16  119.15  3.000
 INH  C19  N18  C16  121.76  3.000
 INH  H52  C19  C27  109.40  3.000
 INH  H52  C19  C20  108.27  3.000
 INH  C27  C19  C20  109.30  3.000
 INH  H52  C19  N18  108.95  3.000
 INH  C27  C19  N18  110.55  3.000
 INH  C20  C19  N18  110.34  3.000
 INH  H54  C20  H53  106.82  3.000
 INH  H54  C20  C21  109.47  3.000
 INH  H53  C20  C21  110.38  3.000
 INH  H54  C20  C19  108.31  3.000
 INH  H53  C20  C19  109.32  3.000
 INH  C21  C20  C19  112.36  3.000
 INH  H56  C21  H55  106.97  3.000
 INH  H56  C21  C22  108.77  3.000
 INH  H55  C21  C22  109.37  3.000
 INH  H56  C21  C20  110.55  3.000
 INH  H55  C21  C20  109.77  3.000
 INH  C22  C21  C20  111.31  3.000
 INH  H58  C22  H57  107.83  3.000
 INH  H58  C22  N23  109.75  3.000
 INH  H57  C22  N23  110.36  3.000
 INH  H58  C22  C21  109.54  3.000
 INH  H57  C22  C21  109.86  3.000
 INH  N23  C22  C21  109.47  3.000
 INH  H59  N23  C24  117.49  3.000
 INH  H59  N23  C22  117.46  3.000
 INH  C24  N23  C22  124.94  3.000
 INH  N26  C24  N25  119.83  3.000
 INH  N26  C24  N23  120.50  3.000
 INH  N25  C24  N23  119.67  3.000
 INH  H61  N25  H60  117.17  3.000
 INH  H61  N25  C24  121.33  3.000
 INH  H60  N25  C24  121.39  3.000
 INH  H63  N26  H62  116.84  3.000
 INH  H63  N26  C24  120.99  3.000
 INH  H62  N26  C24  121.99  3.000
 INH  N29  C27  O28  124.86  3.000
 INH  N29  C27  C19  113.52  3.000
 INH  O28  C27  C19  121.57  3.000
 INH  H64  N29  C30  114.68  3.000
 INH  H64  N29  C27  115.87  3.000
 INH  C30  N29  C27  129.44  3.000
 INH  C35  C30  C31  118.98  3.000
 INH  C35  C30  N29  124.29  3.000
 INH  C31  C30  N29  116.73  3.000
 INH  H65  C31  C32  119.53  3.000
 INH  H65  C31  C30  119.75  3.000
 INH  C32  C31  C30  120.72  3.000
 INH  H66  C32  C33  120.32  3.000
 INH  H66  C32  C31  119.27  3.000
 INH  C33  C32  C31  120.41  3.000
 INH  H67  C33  C34  120.58  3.000
 INH  H67  C33  C32  120.53  3.000
 INH  C34  C33  C32  118.89  3.000
 INH  H68  C34  C35  118.66  3.000
 INH  H68  C34  C33  119.94  3.000
 INH  C35  C34  C33  121.40  3.000
 INH  H69  C35  C34  119.40  3.000
 INH  H69  C35  C30  121.01  3.000
 INH  C34  C35  C30  119.60  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
 INH  CONST_01  C13  C12  C11  C10     0.00   0.0  0
 INH  CONST_02  C13  C14  C15  C10     0.00   0.0  0
 INH  CONST_03  C14  C15  C10  C11     0.00   0.0  0
 INH  CONST_04  C14  C13  C12  C11     0.00   0.0  0
 INH  CONST_05  C15  C10  C11  C12     0.00   0.0  0
 INH  CONST_06  C15  C14  C13  C12     0.00   0.0  0
 INH  CONST_07  C33  C32  C31  C30     0.00   0.0  0
 INH  CONST_08  C33  C34  C35  C30     0.00   0.0  0
 INH  CONST_09  C34  C35  C30  C31     0.00   0.0  0
 INH  CONST_10  C34  C33  C32  C31     0.00   0.0  0
 INH  CONST_11  C35  C30  C31  C32     0.00   0.0  0
 INH  CONST_12  C35  C34  C33  C32     0.00   0.0  0
 INH  CONST_13  C12  C11  C10  C9    180.00   0.0  0
 INH  CONST_14  C14  C15  C10  C9    180.00   0.0  0
 INH  CONST_15  C32  C31  C30  N29   180.00   0.0  0
 INH  CONST_16  C34  C35  C30  N29   180.00   0.0  0
 INH  CONST_17  H47  C12  C11  C10   180.00   0.0  0
 INH  CONST_18  H49  C14  C15  C10   180.00   0.0  0
 INH  CONST_19  H50  C15  C10  C11   180.00   0.0  0
 INH  CONST_20  H48  C13  C12  C11   180.00   0.0  0
 INH  CONST_21  H46  C11  C12  C13   180.00   0.0  0
 INH  CONST_22  H66  C32  C31  C30   180.00   0.0  0
 INH  CONST_23  H68  C34  C35  C30   180.00   0.0  0
 INH  CONST_24  H69  C35  C30  C31   180.00   0.0  0
 INH  CONST_25  H67  C33  C32  C31   180.00   0.0  0
 INH  CONST_26  H65  C31  C32  C33   180.00   0.0  0
 INH  CONST_27  C31  C30  N29  C27   180.00   0.0  0
 INH  CONST_28  C35  C30  N29  C27     0.00   0.0  0
 INH  CONST_29  H64  N29  C30  C31     0.00   0.0  0
 INH  CONST_30  C30  N29  C27  C19   180.00   0.0  0
 INH  CONST_31  C30  N29  C27  O28     0.00   0.0  0
 INH  CONST_32  C19  N18  C16  C7    180.00   0.0  0
 INH  CONST_33  C19  N18  C16  O17     0.00   0.0  0
 INH  CONST_34  N25  C24  N23  C22   180.00   0.0  0
 INH  CONST_35  N26  C24  N23  C22     0.00   0.0  0
 INH  CONST_36  H51  N18  C16  C7      0.00   0.0  0
 INH  CONST_37  H60  N25  C24  N23   180.00   0.0  0
 INH  CONST_38  H61  N25  C24  N23     0.00   0.0  0
 INH  CONST_39  H62  N26  C24  N23     0.00   0.0  0
 INH  CONST_40  H63  N26  C24  N23   180.00   0.0  0
 INH  CONST_41  H59  N23  C24  N25     0.00   0.0  0
 INH  Var_01    C11  C10  C9   C8    -92.59  30.0  2
 INH  Var_02    C10  C9   C8   C7    173.95  30.0  3
 INH  Var_03    C22  C21  C20  C19  -177.52  30.0  3
 INH  Var_04    N23  C22  C21  C20  -177.16  30.0  3
 INH  Var_05    C24  N23  C22  C21  -171.71  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
 INH  chir_01  C2   C1   C3   N6   positiv
 INH  chir_02  C7   N6   C16  C8   positiv
 INH  chir_03  C19  N18  C20  C27  negativ

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
 INH  plan-1  C9   0.020
 INH  plan-1  C10  0.020
 INH  plan-1  C11  0.020
 INH  plan-1  C12  0.020
 INH  plan-1  C13  0.020
 INH  plan-1  C14  0.020
 INH  plan-1  C15  0.020
 INH  plan-1  H46  0.020
 INH  plan-1  H47  0.020
 INH  plan-1  H48  0.020
 INH  plan-1  H49  0.020
 INH  plan-1  H50  0.020
 INH  plan-2  C2   0.020
 INH  plan-2  C3   0.020
 INH  plan-2  O4   0.020
 INH  plan-2  O5   0.020
 INH  plan-3  N29  0.020
 INH  plan-3  C30  0.020
 INH  plan-3  C31  0.020
 INH  plan-3  C32  0.020
 INH  plan-3  C33  0.020
 INH  plan-3  C34  0.020
 INH  plan-3  C35  0.020
 INH  plan-3  H65  0.020
 INH  plan-3  H66  0.020
 INH  plan-3  H67  0.020
 INH  plan-3  H68  0.020
 INH  plan-3  H69  0.020
 INH  plan-4  C7   0.020
 INH  plan-4  C16  0.020
 INH  plan-4  O17  0.020
 INH  plan-4  N18  0.020
 INH  plan-4  C19  0.020
 INH  plan-4  H51  0.020
 INH  plan-5  C19  0.020
 INH  plan-5  C27  0.020
 INH  plan-5  O28  0.020
 INH  plan-5  N29  0.020
 INH  plan-5  C30  0.020
 INH  plan-5  H64  0.020
 INH  plan-6  C22  0.020
 INH  plan-6  N23  0.020
 INH  plan-6  C24  0.020
 INH  plan-6  N25  0.020
 INH  plan-6  N26  0.020
 INH  plan-6  H59  0.020
 INH  plan-6  H60  0.020
 INH  plan-6  H61  0.020
 INH  plan-6  H62  0.020
 INH  plan-6  H63  0.020

