# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Sat Apr 25 18:09:15 2020
#   Inital geometry file: a 156 line input string
#   Ligand name: N-(3-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy}benzyl)-N-[(4-methylphenoxy)carbonyl]glycine
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: Cc1ccc(OC(=O)N(CC(O)=O)Cc2cccc(OCc3nc(oc3C)c4ccc(Cl)cc4)c2)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
 NKS  NKS  N-(3-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy}benzyl)-N-[(4-methylphenoxy)carbonyl]glycine  L-peptide  61  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_NKS
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
 NKS  C1    C   CH3    0  -0.721  11.3593   1.2435  -1.1277
 NKS  C2    C   C      0   0.094   9.9771   0.7831  -0.7651
 NKS  C3    C   C1     0  -0.295   9.1213   1.5996  -0.0259
 NKS  C4    C   C1     0  -0.299   7.8524   1.1741   0.3352
 NKS  C5    C   C      0   0.347   7.4262  -0.0881  -0.0477
 NKS  C6    C   C1     0  -0.306   8.2501  -0.9193  -0.7840
 NKS  C7    C   C1     0  -0.303   9.5199  -0.4786  -1.1349
 NKS  O8    O   O2     0  -0.524   6.1897  -0.5369   0.3593
 NKS  C9    C   C      0   0.740   5.1199  -0.1562  -0.3754
 NKS  O10   O   O      0  -0.506   5.2344   0.3367  -1.4769
 NKS  N11   N   NT     0  -0.465   3.9704  -0.4624   0.2550
 NKS  C12   C   CH2    0  -0.359   2.7187  -0.0416  -0.3371
 NKS  C13   C   CR6    0   0.113   1.6865  -1.1410  -0.3369
 NKS  C14   C   CR16   0  -0.308   2.0357  -2.4560  -0.6450
 NKS  C15   C   CR16   0  -0.227   1.0576  -3.4336  -0.6747
 NKS  C16   C   CR16   0  -0.395  -0.2746  -3.1337  -0.4057
 NKS  C17   C   CR6    0   0.407  -0.6235  -1.8222  -0.1006
 NKS  C18   C   CR16   0  -0.413   0.3641  -0.8350  -0.0625
 NKS  O19   O   O2     0  -0.471  -1.8766  -1.4108   0.1840
 NKS  C20   C   CH2    0  -0.300  -2.9270  -2.3648   0.1481
 NKS  C21   C   CR5    0   0.091  -4.1920  -1.6518   0.4429
 NKS  C22   C   CR5    0   0.319  -4.9520  -1.6977   1.5628
 NKS  O23   O   O      0  -0.430  -6.0035  -0.8666   1.3548
 NKS  C24   C   CR5    0   0.511  -5.8322  -0.3514   0.1276
 NKS  N25   N   N      0  -0.432  -4.7713  -0.7864  -0.4597
 NKS  C26   C   CR6    0  -0.017  -6.8141   0.5940  -0.3798
 NKS  C27   C   CR16   0  -0.288  -6.6707   1.0943  -1.6744
 NKS  C28   C   CR16   0  -0.193  -7.5835   1.9976  -2.1873
 NKS  C29   C   CR6    0  -0.045  -8.6496   2.4047  -1.3977
 NKS  C30   C   CR16   0  -0.194  -8.8116   1.9201  -0.1093
 NKS  C31   C   CR16   0  -0.293  -7.8931   1.0149   0.3964
 NKS  CL32  CL  CL     0  -0.117  -9.7943   3.5363  -2.0312
 NKS  C33   C   CH3    0  -0.753  -4.8644  -2.4184   2.8489
 NKS  C34   C   CH2    0  -0.462   3.9589  -0.6630   1.6909
 NKS  C35   C   C      0   0.427   4.3616   0.5962   2.4934
 NKS  O36   O   OC    -1  -0.615   4.3979   0.4384   3.7279
 NKS  O37   O   O      0  -0.592   4.5957   1.6340   1.8495
 NKS  H1    H   HCH3   0   0.248  12.0419   1.1404  -0.2820
 NKS  H1A   H   HCH3   0   0.244  11.7700   0.6601  -1.9506
 NKS  H1B   H   HCH3   0   0.244  11.3679   2.2932  -1.4211
 NKS  H3    H   H      0   0.252   9.4491   2.5877   0.2746
 NKS  H4    H   H      0   0.269   7.1953   1.8094   0.9160
 NKS  H6    H   H      0   0.266   7.9100  -1.9033  -1.0811
 NKS  H7    H   H      0   0.253  10.1613  -1.1314  -1.7148
 NKS  H12   H   HCH2   0   0.254   2.3336   0.8325   0.1979
 NKS  H12A  H   HCH2   0   0.279   2.9018   0.2756  -1.3631
 NKS  H14   H   HCR6   0   0.246   3.0666  -2.7122  -0.8521
 NKS  H15   H   HCR6   0   0.258   1.3265  -4.4556  -0.9093
 NKS  H16   H   HCR6   0   0.281  -1.0076  -3.9279  -0.4328
 NKS  H18   H   HCR6   0   0.257   0.0823   0.1809   0.1909
 NKS  H20   H   HCH2   0   0.248  -2.9828  -2.8359  -0.8389
 NKS  H20A  H   HCH2   0   0.243  -2.7596  -3.1574   0.8845
 NKS  H27   H   HCR6   0   0.270  -5.8402   0.7720  -2.2880
 NKS  H28   H   HCR6   0   0.287  -7.4635   2.3789  -3.1919
 NKS  H30   H   HCR6   0   0.287  -9.6430   2.2449   0.5007
 NKS  H31   H   HCR6   0   0.270  -8.0322   0.6469   1.4038
 NKS  H33   H   HCH3   0   0.268  -4.8129  -1.7273   3.6914
 NKS  H33A  H   HCH3   0   0.267  -5.7262  -3.0699   3.0017
 NKS  H33B  H   HCH3   0   0.261  -3.9692  -3.0366   2.8675
 NKS  H34   H   HCH2   0   0.260   2.9438  -0.9517   1.9725
 NKS  H34A  H   HCH2   0   0.261   4.5899  -1.5056   1.9771

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
 NKS  C2   C1    single    1.501  0.020  1.501
 NKS  C1   H1    single    0.970  0.020  1.090
 NKS  C1   H1A   single    0.970  0.020  1.090
 NKS  C1   H1B   single    0.970  0.020  1.090
 NKS  C7   C2    aromatic  1.392  0.020  1.392
 NKS  C2   C3    aromatic  1.395  0.020  1.395
 NKS  C4   C3    aromatic  1.386  0.020  1.386
 NKS  C3   H3    single    0.930  0.020  1.080
 NKS  C5   C4    aromatic  1.386  0.020  1.386
 NKS  C4   H4    single    0.930  0.020  1.080
 NKS  O8   C5    single    1.377  0.020  1.377
 NKS  C6   C5    aromatic  1.383  0.020  1.383
 NKS  C6   C7    aromatic  1.389  0.020  1.389
 NKS  C6   H6    single    0.930  0.020  1.080
 NKS  C7   H7    single    0.930  0.020  1.080
 NKS  O8   C9    single    1.352  0.020  1.352
 NKS  N11  C9    single    1.346  0.020  1.346
 NKS  C9   O10   double    1.212  0.020  1.212
 NKS  C12  N11   single    1.447  0.020  1.447
 NKS  N11  C34   single    1.450  0.020  1.450
 NKS  C12  C13   single    1.508  0.020  1.508
 NKS  C12  H12   single    0.970  0.020  1.090
 NKS  C12  H12A  single    0.970  0.020  1.090
 NKS  C14  C13   aromatic  1.395  0.020  1.395
 NKS  C13  C18   aromatic  1.385  0.020  1.385
 NKS  C14  C15   aromatic  1.383  0.020  1.383
 NKS  C14  H14   single    0.930  0.020  1.080
 NKS  C15  C16   aromatic  1.392  0.020  1.392
 NKS  C15  H15   single    0.930  0.020  1.080
 NKS  C16  C17   aromatic  1.391  0.020  1.391
 NKS  C16  H16   single    0.930  0.020  1.080
 NKS  C18  C17   aromatic  1.397  0.020  1.397
 NKS  C17  O19   single    1.349  0.020  1.349
 NKS  C18  H18   single    0.930  0.020  1.080
 NKS  O19  C20   single    1.419  0.020  1.419
 NKS  C20  C21   single    1.482  0.020  1.482
 NKS  C20  H20   single    0.970  0.020  1.090
 NKS  C20  H20A  single    0.970  0.020  1.090
 NKS  C22  C21   aromatic  1.354  0.020  1.354
 NKS  C21  N25   aromatic  1.378  0.020  1.378
 NKS  C33  C22   single    1.477  0.020  1.477
 NKS  C22  O23   aromatic  1.356  0.020  1.356
 NKS  O23  C24   aromatic  1.342  0.020  1.342
 NKS  N25  C24   aromatic  1.288  0.020  1.288
 NKS  C24  C26   single    1.454  0.020  1.454
 NKS  C26  C31   aromatic  1.394  0.020  1.394
 NKS  C26  C27   aromatic  1.395  0.020  1.395
 NKS  C27  C28   aromatic  1.383  0.020  1.383
 NKS  C27  H27   single    0.930  0.020  1.080
 NKS  C28  C29   aromatic  1.388  0.020  1.388
 NKS  C28  H28   single    0.930  0.020  1.080
 NKS  C30  C29   aromatic  1.386  0.020  1.386
 NKS  C29  CL32  single    1.730  0.020  1.730
 NKS  C31  C30   aromatic  1.385  0.020  1.385
 NKS  C30  H30   single    0.930  0.020  1.080
 NKS  C31  H31   single    0.930  0.020  1.080
 NKS  C33  H33   single    0.970  0.020  1.090
 NKS  C33  H33A  single    0.970  0.020  1.090
 NKS  C33  H33B  single    0.970  0.020  1.090
 NKS  C35  C34   single    1.546  0.020  1.546
 NKS  C34  H34   single    0.970  0.020  1.090
 NKS  C34  H34A  single    0.970  0.020  1.090
 NKS  O37  C35   deloc     1.244  0.020  1.244
 NKS  C35  O36   deloc     1.245  0.020  1.245

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
 NKS  H1B   C1   H1A   108.03  3.000
 NKS  H1B   C1   H1    107.13  3.000
 NKS  H1A   C1   H1    107.39  3.000
 NKS  H1B   C1   C2    111.57  3.000
 NKS  H1A   C1   C2    111.43  3.000
 NKS  H1    C1   C2    111.08  3.000
 NKS  C7    C2   C3    118.03  3.000
 NKS  C3    C2   C1    120.88  3.000
 NKS  C7    C2   C1    121.08  3.000
 NKS  H3    C3   C4    118.98  3.000
 NKS  H3    C3   C2    119.68  3.000
 NKS  C4    C3   C2    121.33  3.000
 NKS  H4    C4   C5    119.72  3.000
 NKS  H4    C4   C3    121.01  3.000
 NKS  C5    C4   C3    119.27  3.000
 NKS  O8    C5   C6    119.77  3.000
 NKS  C6    C5   C4    120.75  3.000
 NKS  O8    C5   C4    119.42  3.000
 NKS  H6    C6   C7    120.40  3.000
 NKS  H6    C6   C5    120.35  3.000
 NKS  C7    C6   C5    119.24  3.000
 NKS  H7    C7   C6    119.03  3.000
 NKS  H7    C7   C2    119.60  3.000
 NKS  C6    C7   C2    121.37  3.000
 NKS  C9    O8   C5    117.26  3.000
 NKS  N11   C9   O10   126.77  3.000
 NKS  O10   C9   O8    122.24  3.000
 NKS  N11   C9   O8    110.91  3.000
 NKS  C34   N11  C12   116.01  3.000
 NKS  C34   N11  C9    120.13  3.000
 NKS  C12   N11  C9    118.74  3.000
 NKS  H12A  C12  H12   106.67  3.000
 NKS  H12A  C12  C13   109.11  3.000
 NKS  H12   C12  C13   109.95  3.000
 NKS  H12A  C12  N11   108.94  3.000
 NKS  H12   C12  N11   109.66  3.000
 NKS  C13   C12  N11   112.33  3.000
 NKS  C18   C13  C14   119.42  3.000
 NKS  C18   C13  C12   119.51  3.000
 NKS  C14   C13  C12   121.05  3.000
 NKS  H14   C14  C15   120.14  3.000
 NKS  H14   C14  C13   120.26  3.000
 NKS  C15   C14  C13   119.60  3.000
 NKS  H15   C15  C16   118.89  3.000
 NKS  H15   C15  C14   119.75  3.000
 NKS  C16   C15  C14   121.36  3.000
 NKS  H16   C16  C17   121.88  3.000
 NKS  H16   C16  C15   119.07  3.000
 NKS  C17   C16  C15   119.05  3.000
 NKS  O19   C17  C18   115.81  3.000
 NKS  O19   C17  C16   124.52  3.000
 NKS  C18   C17  C16   119.67  3.000
 NKS  H18   C18  C17   119.00  3.000
 NKS  H18   C18  C13   120.10  3.000
 NKS  C17   C18  C13   120.90  3.000
 NKS  C20   O19  C17   118.49  3.000
 NKS  H20A  C20  H20   107.62  3.000
 NKS  H20A  C20  C21   110.20  3.000
 NKS  H20   C20  C21   110.05  3.000
 NKS  H20A  C20  O19   110.88  3.000
 NKS  H20   C20  O19   110.46  3.000
 NKS  C21   C20  O19   107.66  3.000
 NKS  N25   C21  C22   109.09  3.000
 NKS  N25   C21  C20   122.06  3.000
 NKS  C22   C21  C20   128.85  3.000
 NKS  C33   C22  O23   118.59  3.000
 NKS  O23   C22  C21   106.70  3.000
 NKS  C33   C22  C21   134.71  3.000
 NKS  C24   O23  C22   106.06  3.000
 NKS  C26   C24  N25   128.05  3.000
 NKS  C26   C24  O23   118.85  3.000
 NKS  N25   C24  O23   113.10  3.000
 NKS  C24   N25  C21   105.05  3.000
 NKS  C31   C26  C27   119.20  3.000
 NKS  C27   C26  C24   119.17  3.000
 NKS  C31   C26  C24   121.63  3.000
 NKS  H27   C27  C28   119.41  3.000
 NKS  H27   C27  C26   119.89  3.000
 NKS  C28   C27  C26   120.70  3.000
 NKS  H28   C28  C29   120.70  3.000
 NKS  H28   C28  C27   120.12  3.000
 NKS  C29   C28  C27   119.19  3.000
 NKS  CL32  C29  C30   119.46  3.000
 NKS  CL32  C29  C28   119.47  3.000
 NKS  C30   C29  C28   121.07  3.000
 NKS  H30   C30  C31   120.01  3.000
 NKS  H30   C30  C29   120.62  3.000
 NKS  C31   C30  C29   119.37  3.000
 NKS  H31   C31  C30   118.50  3.000
 NKS  H31   C31  C26   121.02  3.000
 NKS  C30   C31  C26   120.48  3.000
 NKS  H33B  C33  H33A  107.96  3.000
 NKS  H33B  C33  H33   107.93  3.000
 NKS  H33A  C33  H33   107.91  3.000
 NKS  H33B  C33  C22   109.93  3.000
 NKS  H33A  C33  C22   111.50  3.000
 NKS  H33   C33  C22   111.48  3.000
 NKS  H34A  C34  H34   105.41  3.000
 NKS  H34A  C34  C35   110.01  3.000
 NKS  H34   C34  C35   108.87  3.000
 NKS  H34A  C34  N11   111.22  3.000
 NKS  H34   C34  N11   107.41  3.000
 NKS  C35   C34  N11   113.53  3.000
 NKS  O37   C35  O36   127.86  3.000
 NKS  O36   C35  C34   114.76  3.000
 NKS  O37   C35  C34   117.38  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
 NKS  CONST_01  C5    C6   C7   C2      0.00   0.0  0
 NKS  CONST_02  C5    C4   C3   C2      0.00   0.0  0
 NKS  CONST_03  C6    C7   C2   C3      0.00   0.0  0
 NKS  CONST_04  C6    C5   C4   C3      0.00   0.0  0
 NKS  CONST_05  C7    C2   C3   C4      0.00   0.0  0
 NKS  CONST_06  C7    C6   C5   C4      0.00   0.0  0
 NKS  CONST_07  C16   C15  C14  C13     0.00   0.0  0
 NKS  CONST_08  C16   C17  C18  C13     0.00   0.0  0
 NKS  CONST_09  C17   C18  C13  C14     0.00   0.0  0
 NKS  CONST_10  C17   C16  C15  C14     0.00   0.0  0
 NKS  CONST_11  C18   C13  C14  C15     0.00   0.0  0
 NKS  CONST_12  C18   C17  C16  C15     0.00   0.0  0
 NKS  CONST_13  C24   O23  C22  C21     0.00   0.0  0
 NKS  CONST_14  O23   C24  N25  C21     0.00   0.0  0
 NKS  CONST_15  C26   C24  N25  C21   180.00   0.0  0
 NKS  CONST_16  C24   N25  C21  C22     0.00   0.0  0
 NKS  CONST_17  N25   C24  O23  C22     0.00   0.0  0
 NKS  CONST_18  C26   C24  O23  C22   180.00   0.0  0
 NKS  CONST_19  N25   C21  C22  O23     0.00   0.0  0
 NKS  CONST_20  C31   C26  C24  O23     0.00   0.0  0
 NKS  CONST_21  C27   C26  C24  O23   180.00   0.0  0
 NKS  CONST_22  C30   C31  C26  C24   180.00   0.0  0
 NKS  CONST_23  C28   C27  C26  C24   180.00   0.0  0
 NKS  CONST_24  C31   C26  C24  N25   180.00   0.0  0
 NKS  CONST_25  C27   C26  C24  N25     0.00   0.0  0
 NKS  CONST_26  C29   C30  C31  C26     0.00   0.0  0
 NKS  CONST_27  C29   C28  C27  C26     0.00   0.0  0
 NKS  CONST_28  C30   C31  C26  C27     0.00   0.0  0
 NKS  CONST_29  C30   C29  C28  C27     0.00   0.0  0
 NKS  CONST_30  C31   C26  C27  C28     0.00   0.0  0
 NKS  CONST_31  C31   C30  C29  C28     0.00   0.0  0
 NKS  CONST_32  C6    C7   C2   C1    180.00   0.0  0
 NKS  CONST_33  C4    C3   C2   C1    180.00   0.0  0
 NKS  CONST_34  O8    C5   C4   C3    180.00   0.0  0
 NKS  CONST_35  O8    C5   C6   C7    180.00   0.0  0
 NKS  CONST_36  C15   C14  C13  C12   180.00   0.0  0
 NKS  CONST_37  C17   C18  C13  C12   180.00   0.0  0
 NKS  CONST_38  O19   C17  C18  C13   180.00   0.0  0
 NKS  CONST_39  O19   C17  C16  C15   180.00   0.0  0
 NKS  CONST_40  O23   C22  C21  C20   180.00   0.0  0
 NKS  CONST_41  C24   N25  C21  C20   180.00   0.0  0
 NKS  CONST_42  C33   C22  O23  C24   180.00   0.0  0
 NKS  CONST_43  C33   C22  C21  N25   180.00   0.0  0
 NKS  CONST_44  CL32  C29  C28  C27   180.00   0.0  0
 NKS  CONST_45  CL32  C29  C30  C31   180.00   0.0  0
 NKS  CONST_46  H6    C6   C7   C2    180.00   0.0  0
 NKS  CONST_47  H4    C4   C3   C2    180.00   0.0  0
 NKS  CONST_48  H7    C7   C2   C3    180.00   0.0  0
 NKS  CONST_49  H3    C3   C4   C5    180.00   0.0  0
 NKS  CONST_50  H15   C15  C14  C13   180.00   0.0  0
 NKS  CONST_51  H18   C18  C13  C14   180.00   0.0  0
 NKS  CONST_52  H16   C16  C15  C14   180.00   0.0  0
 NKS  CONST_53  H14   C14  C15  C16   180.00   0.0  0
 NKS  CONST_54  H31   C31  C26  C24     0.00   0.0  0
 NKS  CONST_55  H27   C27  C26  C24     0.00   0.0  0
 NKS  CONST_56  H30   C30  C31  C26   180.00   0.0  0
 NKS  CONST_57  H28   C28  C27  C26   180.00   0.0  0
 NKS  Var_01    C14   C13  C12  N11   -41.20  30.0  2
 NKS  Var_02    C21   C20  O19  C17  -177.82  30.0  3
 NKS  Var_03    C22   C21  C20  O19  -107.81  30.0  2
 NKS  Var_04    H1    C1   C2   C3     78.75  30.0  2
 NKS  Var_05    H33   C33  C22  C21   120.24  30.0  2
 NKS  Var_06    N11   C9   O8   C5   -169.24  30.0  3
 NKS  Var_07    C13   C12  N11  C9    134.41  30.0  2
 NKS  Var_08    C12   N11  C9   O8    175.55  30.0  2
 NKS  Var_09    C35   C34  N11  C9     62.60  30.0  3
 NKS  Var_10    O37   C35  C34  N11     2.68  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
 NKS  plan-1  C20   0.020
 NKS  plan-1  C21   0.020
 NKS  plan-1  C22   0.020
 NKS  plan-1  O23   0.020
 NKS  plan-1  C24   0.020
 NKS  plan-1  N25   0.020
 NKS  plan-1  C26   0.020
 NKS  plan-1  C33   0.020
 NKS  plan-2  C1    0.020
 NKS  plan-2  C2    0.020
 NKS  plan-2  C3    0.020
 NKS  plan-2  C4    0.020
 NKS  plan-2  C5    0.020
 NKS  plan-2  C6    0.020
 NKS  plan-2  C7    0.020
 NKS  plan-2  O8    0.020
 NKS  plan-2  H3    0.020
 NKS  plan-2  H4    0.020
 NKS  plan-2  H6    0.020
 NKS  plan-2  H7    0.020
 NKS  plan-3  C12   0.020
 NKS  plan-3  C13   0.020
 NKS  plan-3  C14   0.020
 NKS  plan-3  C15   0.020
 NKS  plan-3  C16   0.020
 NKS  plan-3  C17   0.020
 NKS  plan-3  C18   0.020
 NKS  plan-3  O19   0.020
 NKS  plan-3  H14   0.020
 NKS  plan-3  H15   0.020
 NKS  plan-3  H16   0.020
 NKS  plan-3  H18   0.020
 NKS  plan-4  C24   0.020
 NKS  plan-4  C26   0.020
 NKS  plan-4  C27   0.020
 NKS  plan-4  C28   0.020
 NKS  plan-4  C29   0.020
 NKS  plan-4  C30   0.020
 NKS  plan-4  C31   0.020
 NKS  plan-4  CL32  0.020
 NKS  plan-4  H27   0.020
 NKS  plan-4  H28   0.020
 NKS  plan-4  H30   0.020
 NKS  plan-4  H31   0.020
 NKS  plan-5  C34   0.020
 NKS  plan-5  C35   0.020
 NKS  plan-5  O36   0.020
 NKS  plan-5  O37   0.020
 NKS  plan-6  O8    0.020
 NKS  plan-6  C9    0.020
 NKS  plan-6  O10   0.020
 NKS  plan-6  N11   0.020

