# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Wed May 13 05:50:19 2020
#   Inital geometry file: a 155 line input string
#   Ligand name: 2-[2-[[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]carbonylamino]phenyl]ethanoic acid
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: CN1CCN(CC1)Cc2ccc(cc2)c3cccc(c3)C(=O)Nc4ccccc4CC(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
 KAZ  KAZ  '2-[2-[[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]carbonylamino]phenyl]ethanoic acid'  ligand  62  33  .  2021-08-12  2021-08-12  
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as PERFECT
;

data_comp_KAZ
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
 KAZ  C1   C  CR16  0  -0.226  -1.4174  -2.7903  -0.6811
 KAZ  C2   C  CR16  0  -0.309  -0.0917  -2.5474  -0.3598
 KAZ  C3   C  CR6   0   0.114   0.3096  -1.2952   0.1097
 KAZ  C11  C  CR6   0   0.275  -5.3085   1.1506   0.4420
 KAZ  C12  C  CR6   0   0.115  -6.4270   1.0050  -0.3831
 KAZ  C13  C  CR16  0  -0.309  -7.4922   1.8861  -0.2221
 KAZ  C14  C  CR16  0  -0.242  -7.4472   2.9034   0.7190
 KAZ  C15  C  CR16  0  -0.273  -6.3250   3.0469   1.5225
 KAZ  C16  C  CR16  0  -0.263  -5.2610   2.1691   1.3882
 KAZ  C17  C  CH2   0  -0.683  -6.4930  -0.0482  -1.4539
 KAZ  C18  C  C     0   0.571  -6.7611  -1.4348  -0.9231
 KAZ  C20  C  CR16  0  -0.296   2.7626  -1.5718  -0.2959
 KAZ  C21  C  CR16  0  -0.266   4.0843  -1.3138   0.0267
 KAZ  C22  C  CR6   0   0.074   4.4093  -0.5059   1.1141
 KAZ  C23  C  CR16  0  -0.299   3.3725   0.0389   1.8626
 KAZ  C24  C  CR16  0  -0.295   2.0473  -0.2193   1.5438
 KAZ  C25  C  CH2   0  -0.317   5.8462  -0.2556   1.4900
 KAZ  C27  C  CH2   0  -0.284   8.0974  -0.0727   0.6846
 KAZ  C28  C  CH2   0  -0.283   8.9550   0.1082  -0.5527
 KAZ  C30  C  CH2   0  -0.281   7.2447   1.4219  -1.5502
 KAZ  C4   C  CR16  0  -0.343  -0.6535  -0.2976   0.2414
 KAZ  C5   C  CR6   0  -0.010  -1.9899  -0.5391  -0.0589
 KAZ  C6   C  CR16  0  -0.305  -2.3701  -1.7944  -0.5281
 KAZ  C7   C  CR6   0   0.072   1.7193  -1.0284   0.4574
 KAZ  C8   C  C     0   0.515  -2.9525   0.5956   0.0899
 KAZ  N9   N  NH1   0  -0.766  -4.2374   0.2395   0.3192
 KAZ  O10  O  O     0  -0.463  -2.5861   1.7555   0.0100
 KAZ  O19  O  OH1   0  -0.577  -7.4646  -2.1677  -1.7682
 KAZ  N26  N  NT    0  -0.417   6.6901  -0.0152   0.3408
 KAZ  N29  N  NT    0  -0.412   8.6511   1.3640  -1.2077
 KAZ  C31  C  CH2   0  -0.281   6.3826   1.2407  -0.3162
 KAZ  C32  C  CH3   0  -0.516   9.4937   1.5846  -2.3597
 KAZ  O33  O  O     0  -0.448  -6.3565  -1.8487   0.1381
 KAZ  H1   H  HCR6  0   0.268  -1.7134  -3.7629  -1.0504
 KAZ  H2   H  HCR6  0   0.263   0.6333  -3.3451  -0.4610
 KAZ  H3   H  HCR6  0   0.259  -8.3649   1.7808  -0.8550
 KAZ  H4   H  HCR6  0   0.260  -8.2848   3.5802   0.8232
 KAZ  H5   H  HCR6  0   0.262  -6.2792   3.8356   2.2616
 KAZ  H6   H  HCR6  0   0.265  -4.3972   2.2649   2.0314
 KAZ  H7   H  HCH2  0   0.302  -7.2500   0.2140  -2.1927
 KAZ  H8   H  HCH2  0   0.313  -5.5441  -0.0984  -2.0011
 KAZ  H9   H  HCR6  0   0.252   2.5408  -2.1860  -1.1600
 KAZ  H10  H  HCR6  0   0.247   4.8779  -1.7263  -0.5838
 KAZ  H11  H  HCR6  0   0.250   3.6000   0.6741   2.7108
 KAZ  H12  H  HCR6  0   0.254   1.2634   0.2061   2.1582
 KAZ  H13  H  HCH2  0   0.211   5.8917   0.5692   2.2212
 KAZ  H14  H  HCH2  0   0.253   6.2323  -1.1405   2.0065
 KAZ  H16  H  HCH2  0   0.190   8.3695   0.6947   1.4297
 KAZ  H17  H  HCH2  0   0.234  10.0083   0.1003  -0.2615
 KAZ  H18  H  HCH2  0   0.188   8.7993  -0.7505  -1.2296
 KAZ  H19  H  HCH2  0   0.234   7.0247   2.3949  -1.9965
 KAZ  H20  H  HCH2  0   0.188   6.9735   0.6532  -2.2957
 KAZ  H21  H  HCR6  0   0.261  -0.3584   0.6892   0.5742
 KAZ  H22  H  HCR6  0   0.249  -3.3944  -2.0094  -0.8051
 KAZ  H23  H  HNH1  0   0.417  -4.4705  -0.7346   0.4411
 KAZ  H24  H  HOH1  0   0.485  -7.5755  -3.0664  -1.4210
 KAZ  H27  H  HCH2  0   0.192   6.5336   2.0964   0.3648
 KAZ  H28  H  HCH2  0   0.240   5.3325   1.2478  -0.6151
 KAZ  H29  H  HCH3  0   0.190   9.3731   0.8163  -3.1394
 KAZ  H30  H  HCH3  0   0.231   9.2677   2.5529  -2.8089
 KAZ  H31  H  HCH3  0   0.231  10.5430   1.5915  -2.0598
 KAZ  H15  H  HCH2  0   0.237   8.3164  -1.0465   1.1296

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
 KAZ  C32  N29  single    1.444  0.020  1.444
 KAZ  N29  C28  single    1.449  0.020  1.449
 KAZ  N29  C30  single    1.449  0.020  1.449
 KAZ  O33  C18  double    1.209  0.020  1.209
 KAZ  C28  C27  single    1.516  0.020  1.516
 KAZ  C30  C31  single    1.516  0.020  1.516
 KAZ  C27  N26  single    1.450  0.020  1.450
 KAZ  C31  N26  single    1.450  0.020  1.450
 KAZ  C18  O19  single    1.321  0.020  1.321
 KAZ  C18  C17  single    1.509  0.020  1.509
 KAZ  N26  C25  single    1.446  0.020  1.446
 KAZ  C13  C14  aromatic  1.387  0.020  1.387
 KAZ  C13  C12  aromatic  1.392  0.020  1.392
 KAZ  C17  C12  single    1.503  0.020  1.503
 KAZ  C25  C22  single    1.506  0.020  1.506
 KAZ  C14  C15  aromatic  1.388  0.020  1.388
 KAZ  C12  C11  aromatic  1.397  0.020  1.397
 KAZ  C21  C22  aromatic  1.393  0.020  1.393
 KAZ  C21  C20  aromatic  1.385  0.020  1.385
 KAZ  C22  C23  aromatic  1.390  0.020  1.390
 KAZ  C15  C16  aromatic  1.386  0.020  1.386
 KAZ  C20  C7   aromatic  1.397  0.020  1.397
 KAZ  C11  C16  aromatic  1.391  0.020  1.391
 KAZ  C11  N9   single    1.412  0.020  1.412
 KAZ  N9   C8   single    1.353  0.020  1.353
 KAZ  C23  C24  aromatic  1.387  0.020  1.387
 KAZ  C7   C24  aromatic  1.394  0.020  1.394
 KAZ  C7   C3   single    1.476  0.020  1.476
 KAZ  C4   C3   aromatic  1.393  0.020  1.393
 KAZ  C4   C5   aromatic  1.391  0.020  1.391
 KAZ  C8   C5   single    1.495  0.020  1.495
 KAZ  C8   O10  double    1.219  0.020  1.219
 KAZ  C3   C2   aromatic  1.396  0.020  1.396
 KAZ  C5   C6   aromatic  1.393  0.020  1.393
 KAZ  C2   C1   aromatic  1.386  0.020  1.386
 KAZ  C6   C1   aromatic  1.387  0.020  1.387
 KAZ  C1   H1   single    0.930  0.020  1.080
 KAZ  C2   H2   single    0.930  0.020  1.080
 KAZ  C13  H3   single    0.930  0.020  1.080
 KAZ  C14  H4   single    0.930  0.020  1.080
 KAZ  C15  H5   single    0.930  0.020  1.080
 KAZ  C16  H6   single    0.930  0.020  1.080
 KAZ  C17  H7   single    0.970  0.020  1.090
 KAZ  C17  H8   single    0.970  0.020  1.090
 KAZ  C20  H9   single    0.930  0.020  1.080
 KAZ  C21  H10  single    0.930  0.020  1.080
 KAZ  C23  H11  single    0.930  0.020  1.080
 KAZ  C24  H12  single    0.930  0.020  1.080
 KAZ  C25  H13  single    0.970  0.020  1.090
 KAZ  C25  H14  single    0.970  0.020  1.090
 KAZ  C27  H15  single    0.970  0.020  1.090
 KAZ  C27  H16  single    0.970  0.020  1.090
 KAZ  C28  H17  single    0.970  0.020  1.090
 KAZ  C28  H18  single    0.970  0.020  1.090
 KAZ  C30  H19  single    0.970  0.020  1.090
 KAZ  C30  H20  single    0.970  0.020  1.090
 KAZ  C4   H21  single    0.930  0.020  1.080
 KAZ  C6   H22  single    0.930  0.020  1.080
 KAZ  N9   H23  single    0.860  0.020  1.020
 KAZ  O19  H24  single    0.850  0.020  0.980
 KAZ  C31  H27  single    0.970  0.020  1.090
 KAZ  C31  H28  single    0.970  0.020  1.090
 KAZ  C32  H29  single    0.970  0.020  1.090
 KAZ  C32  H30  single    0.970  0.020  1.090
 KAZ  C32  H31  single    0.970  0.020  1.090

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
 KAZ  H1   C1   C6   119.70  3.000
 KAZ  H1   C1   C2   119.91  3.000
 KAZ  C6   C1   C2   120.39  3.000
 KAZ  H2   C2   C3   119.98  3.000
 KAZ  H2   C2   C1   119.33  3.000
 KAZ  C3   C2   C1   120.68  3.000
 KAZ  C7   C3   C4   120.57  3.000
 KAZ  C4   C3   C2   118.38  3.000
 KAZ  C7   C3   C2   121.05  3.000
 KAZ  N9   C11  C16  120.39  3.000
 KAZ  N9   C11  C12  119.26  3.000
 KAZ  C16  C11  C12  120.35  3.000
 KAZ  C17  C12  C13  119.49  3.000
 KAZ  C17  C12  C11  121.91  3.000
 KAZ  C13  C12  C11  118.58  3.000
 KAZ  H3   C13  C14  119.61  3.000
 KAZ  H3   C13  C12  119.18  3.000
 KAZ  C14  C13  C12  121.21  3.000
 KAZ  H4   C14  C15  120.38  3.000
 KAZ  H4   C14  C13  119.95  3.000
 KAZ  C15  C14  C13  119.68  3.000
 KAZ  H5   C15  C16  119.70  3.000
 KAZ  H5   C15  C14  120.35  3.000
 KAZ  C16  C15  C14  119.95  3.000
 KAZ  H6   C16  C15  119.97  3.000
 KAZ  H6   C16  C11  119.79  3.000
 KAZ  C15  C16  C11  120.23  3.000
 KAZ  H8   C17  H7   105.89  3.000
 KAZ  H8   C17  C18  106.69  3.000
 KAZ  H7   C17  C18  109.64  3.000
 KAZ  H8   C17  C12  110.46  3.000
 KAZ  H7   C17  C12  110.17  3.000
 KAZ  C18  C17  C12  113.65  3.000
 KAZ  O33  C18  O19  123.35  3.000
 KAZ  O19  C18  C17  112.30  3.000
 KAZ  O33  C18  C17  124.33  3.000
 KAZ  H9   C20  C7   119.86  3.000
 KAZ  H9   C20  C21  119.14  3.000
 KAZ  C7   C20  C21  120.98  3.000
 KAZ  H10  C21  C22  119.35  3.000
 KAZ  H10  C21  C20  119.81  3.000
 KAZ  C22  C21  C20  120.83  3.000
 KAZ  C25  C22  C23  120.81  3.000
 KAZ  C23  C22  C21  118.27  3.000
 KAZ  C25  C22  C21  120.91  3.000
 KAZ  H11  C23  C24  119.31  3.000
 KAZ  H11  C23  C22  119.64  3.000
 KAZ  C24  C23  C22  121.05  3.000
 KAZ  H12  C24  C7   119.99  3.000
 KAZ  H12  C24  C23  119.20  3.000
 KAZ  C7   C24  C23  120.80  3.000
 KAZ  H14  C25  H13  106.08  3.000
 KAZ  H14  C25  N26  107.67  3.000
 KAZ  H13  C25  N26  112.23  3.000
 KAZ  H14  C25  C22  108.65  3.000
 KAZ  H13  C25  C22  109.21  3.000
 KAZ  N26  C25  C22  112.71  3.000
 KAZ  H16  C27  H15  107.17  3.000
 KAZ  H16  C27  N26  111.83  3.000
 KAZ  H15  C27  N26  109.05  3.000
 KAZ  H16  C27  C28  109.18  3.000
 KAZ  H15  C27  C28  108.98  3.000
 KAZ  N26  C27  C28  110.53  3.000
 KAZ  H18  C28  H17  107.08  3.000
 KAZ  H18  C28  N29  111.55  3.000
 KAZ  H17  C28  N29  109.20  3.000
 KAZ  H18  C28  C27  109.12  3.000
 KAZ  H17  C28  C27  109.07  3.000
 KAZ  N29  C28  C27  110.72  3.000
 KAZ  H20  C30  H19  107.13  3.000
 KAZ  H20  C30  C31  109.06  3.000
 KAZ  H19  C30  C31  108.92  3.000
 KAZ  H20  C30  N29  111.72  3.000
 KAZ  H19  C30  N29  109.12  3.000
 KAZ  C31  C30  N29  110.78  3.000
 KAZ  H21  C4   C5   119.12  3.000
 KAZ  H21  C4   C3   119.57  3.000
 KAZ  C5   C4   C3   121.31  3.000
 KAZ  C8   C5   C6   122.79  3.000
 KAZ  C6   C5   C4   119.43  3.000
 KAZ  C8   C5   C4   117.73  3.000
 KAZ  H22  C6   C5   121.55  3.000
 KAZ  H22  C6   C1   118.63  3.000
 KAZ  C5   C6   C1   119.79  3.000
 KAZ  C24  C7   C20  118.06  3.000
 KAZ  C24  C7   C3   120.88  3.000
 KAZ  C20  C7   C3   121.06  3.000
 KAZ  O10  C8   N9   123.16  3.000
 KAZ  O10  C8   C5   121.47  3.000
 KAZ  N9   C8   C5   115.37  3.000
 KAZ  H23  N9   C8   119.61  3.000
 KAZ  H23  N9   C11  115.93  3.000
 KAZ  C8   N9   C11  124.44  3.000
 KAZ  H24  O19  C18  110.24  3.000
 KAZ  C31  N26  C27  110.34  3.000
 KAZ  C31  N26  C25  112.35  3.000
 KAZ  C27  N26  C25  111.80  3.000
 KAZ  C32  N29  C30  111.82  3.000
 KAZ  C30  N29  C28  110.20  3.000
 KAZ  C32  N29  C28  111.76  3.000
 KAZ  H28  C31  H27  107.18  3.000
 KAZ  H28  C31  N26  109.49  3.000
 KAZ  H27  C31  N26  111.27  3.000
 KAZ  H28  C31  C30  108.86  3.000
 KAZ  H27  C31  C30  109.37  3.000
 KAZ  N26  C31  C30  110.59  3.000
 KAZ  H31  C32  H30  107.86  3.000
 KAZ  H31  C32  H29  107.71  3.000
 KAZ  H30  C32  H29  107.75  3.000
 KAZ  H31  C32  N29  110.05  3.000
 KAZ  H30  C32  N29  110.07  3.000
 KAZ  H29  C32  N29  113.22  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
 KAZ  CONST_01  C7   C3   C2   C1    180.00   0.0  0
 KAZ  CONST_02  C4   C3   C2   C1      0.00   0.0  0
 KAZ  CONST_03  C4   C5   C6   C1      0.00   0.0  0
 KAZ  CONST_06  C5   C4   C3   C2      0.00   0.0  0
 KAZ  CONST_07  C5   C6   C1   C2      0.00   0.0  0
 KAZ  CONST_08  C21  C20  C7   C3    180.00   0.0  0
 KAZ  CONST_09  C23  C24  C7   C3    180.00   0.0  0
 KAZ  CONST_10  C6   C5   C4   C3      0.00   0.0  0
 KAZ  CONST_11  C6   C1   C2   C3      0.00   0.0  0
 KAZ  CONST_12  C14  C13  C12  C11     0.00   0.0  0
 KAZ  CONST_13  C14  C15  C16  C11     0.00   0.0  0
 KAZ  CONST_14  C15  C14  C13  C12     0.00   0.0  0
 KAZ  CONST_15  C15  C16  C11  C12     0.00   0.0  0
 KAZ  CONST_16  C16  C15  C14  C13     0.00   0.0  0
 KAZ  CONST_17  C16  C11  C12  C13     0.00   0.0  0
 KAZ  CONST_18  C23  C22  C21  C20     0.00   0.0  0
 KAZ  CONST_19  C23  C24  C7   C20     0.00   0.0  0
 KAZ  CONST_21  C24  C23  C22  C21     0.00   0.0  0
 KAZ  CONST_22  C24  C7   C20  C21     0.00   0.0  0
 KAZ  CONST_23  C7   C20  C21  C22     0.00   0.0  0
 KAZ  CONST_24  C7   C24  C23  C22     0.00   0.0  0
 KAZ  CONST_26  C7   C3   C4   C5    180.00   0.0  0
 KAZ  CONST_27  C8   C5   C6   C1    180.00   0.0  0
 KAZ  CONST_28  C8   C5   C4   C3    180.00   0.0  0
 KAZ  CONST_29  N9   C11  C12  C13   180.00   0.0  0
 KAZ  CONST_30  C17  C12  C13  C14   180.00   0.0  0
 KAZ  CONST_31  N9   C11  C16  C15   180.00   0.0  0
 KAZ  CONST_32  C17  C12  C11  C16   180.00   0.0  0
 KAZ  CONST_33  C25  C22  C21  C20   180.00   0.0  0
 KAZ  CONST_34  C25  C22  C23  C24   180.00   0.0  0
 KAZ  CONST_35  H21  C4   C3   C2    180.00   0.0  0
 KAZ  CONST_36  H22  C6   C1   C2    180.00   0.0  0
 KAZ  CONST_37  H9   C20  C7   C3      0.00   0.0  0
 KAZ  CONST_38  H12  C24  C7   C3      0.00   0.0  0
 KAZ  CONST_39  H1   C1   C2   C3    180.00   0.0  0
 KAZ  CONST_40  H3   C13  C12  C11   180.00   0.0  0
 KAZ  CONST_41  H5   C15  C16  C11   180.00   0.0  0
 KAZ  CONST_42  H4   C14  C13  C12   180.00   0.0  0
 KAZ  CONST_43  H6   C16  C11  C12   180.00   0.0  0
 KAZ  CONST_44  H11  C23  C22  C21   180.00   0.0  0
 KAZ  CONST_45  H10  C21  C22  C23   180.00   0.0  0
 KAZ  CONST_46  H2   C2   C3   C4    180.00   0.0  0
 KAZ  CONST_47  C5   C8   N9   C11   180.00   0.0  0
 KAZ  CONST_51  O10  C8   N9   C11     0.00   0.0  0
 KAZ  CONST_52  H24  O19  C18  C17   180.00   0.0  0
 KAZ  Var_01    C30  N29  C28  C27   -57.36  30.0  1
 KAZ  Var_02    C30  C31  N26  C27    57.13  30.0  1
 KAZ  Var_03    C31  C30  N29  C28    57.24  30.0  1
 KAZ  Var_04    C31  N26  C27  C28   -57.25  30.0  1
 KAZ  Var_05    N29  C28  C27  N26    57.60  30.0  1
 KAZ  Var_06    N29  C30  C31  N26   -57.34  30.0  1
 KAZ  Var_07    N26  C25  C22  C21    42.22  30.0  2
 KAZ  Var_08    C27  N26  C25  C22  -167.20  30.0  2
 KAZ  Var_09    C18  C17  C12  C11    76.48  30.0  2
 KAZ  Var_10    N9   C8   C5   C4   -154.57  30.0  2
 KAZ  Var_11    H29  C32  N29  C28    61.45  30.0  3
 KAZ  Var_12    O33  C18  C17  C12   -34.10  30.0  2

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
 KAZ  plan-1  C11  0.020
 KAZ  plan-1  C12  0.020
 KAZ  plan-1  C13  0.020
 KAZ  plan-1  C14  0.020
 KAZ  plan-1  C15  0.020
 KAZ  plan-1  C16  0.020
 KAZ  plan-1  C17  0.020
 KAZ  plan-1  N9   0.020
 KAZ  plan-1  H3   0.020
 KAZ  plan-1  H4   0.020
 KAZ  plan-1  H5   0.020
 KAZ  plan-1  H6   0.020
 KAZ  plan-2  C3   0.020
 KAZ  plan-2  C20  0.020
 KAZ  plan-2  C21  0.020
 KAZ  plan-2  C22  0.020
 KAZ  plan-2  C23  0.020
 KAZ  plan-2  C24  0.020
 KAZ  plan-2  C25  0.020
 KAZ  plan-2  C7   0.020
 KAZ  plan-2  H9   0.020
 KAZ  plan-2  H10  0.020
 KAZ  plan-2  H11  0.020
 KAZ  plan-2  H12  0.020
 KAZ  plan-3  C1   0.020
 KAZ  plan-3  C2   0.020
 KAZ  plan-3  C3   0.020
 KAZ  plan-3  C4   0.020
 KAZ  plan-3  C5   0.020
 KAZ  plan-3  C6   0.020
 KAZ  plan-3  C7   0.020
 KAZ  plan-3  C8   0.020
 KAZ  plan-3  H1   0.020
 KAZ  plan-3  H2   0.020
 KAZ  plan-3  H21  0.020
 KAZ  plan-3  H22  0.020
 KAZ  plan-4  C11  0.020
 KAZ  plan-4  C5   0.020
 KAZ  plan-4  C8   0.020
 KAZ  plan-4  N9   0.020
 KAZ  plan-4  O10  0.020
 KAZ  plan-4  H23  0.020
 KAZ  plan-5  C17  0.020
 KAZ  plan-5  C18  0.020
 KAZ  plan-5  O19  0.020
 KAZ  plan-5  O33  0.020
 KAZ  plan-5  H24  0.020

