# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Wed Apr  8 01:25:04 2020
#   Inital geometry file: a 151 line input string
#   Ligand name: 2-(3,4-dimethoxyphenoxy)ethyl (2S)-1-[(2-oxo-2,3-dihydro-1,3-benzothiazol-6-yl)sulfonyl]piperidine-2-carboxylate
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: COc1ccc(OCCOC(=O)[C@@H]2CCCCN2[S](=O)(=O)c3ccc4NC(=O)Sc4c3)cc1OC
#
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
 1KZ  1KZ  '2-(3,4-dimethoxyphenoxy)ethyl (2S)-1-[(2-oxo-2,3-dihydro-1,3-benzothiazol-6-yl)sulfonyl]piperidine-2-carboxylate'  ligand  61  35  .  2021-08-03  2021-08-03  
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as PERFECT
;

data_comp_1KZ
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
 1KZ  CAB  C  CH3   0  -0.438   -7.0663   1.8370  -2.6165
 1KZ  OAU  O  O2    0  -0.463   -7.7068   1.0999  -1.5951
 1KZ  CBC  C  CR6   0   0.329   -6.9598   0.2742  -0.8421
 1KZ  CAK  C  CR16  0  -0.486   -5.5985   0.0926  -0.9927
 1KZ  CBB  C  CR6   0   0.292   -7.6583  -0.4361   0.1595
 1KZ  OAT  O  O2    0  -0.468   -8.9852  -0.1937   0.2324
 1KZ  CAA  C  CH3   0  -0.435   -9.7243  -0.8836   1.2163
 1KZ  CAH  C  CR16  0  -0.372   -6.9561  -1.3044   0.9694
 1KZ  CAG  C  CR16  0  -0.399   -5.5773  -1.4916   0.8198
 1KZ  CAZ  C  CR6   0   0.388   -4.9005  -0.7915  -0.1600
 1KZ  OAW  O  O2    0  -0.477   -3.5732  -0.8868  -0.4023
 1KZ  CAP  C  CH2   0  -0.217   -2.7954  -1.7131   0.4363
 1KZ  CAO  C  CH2   0  -0.207   -1.3617  -1.6136  -0.0039
 1KZ  OAV  O  O2    0  -0.447   -0.9278  -0.2691   0.2211
 1KZ  C    C  C     0   0.574    0.2971   0.0519  -0.1547
 1KZ  O    O  O     0  -0.432    1.0805  -0.7118  -0.6547
 1KZ  CA   C  CH1   0  -0.134    0.5450   1.5378   0.0098
 1KZ  CB   C  CH2   0  -0.448    0.2261   2.1724  -1.3525
 1KZ  CAM  C  CH2   0  -0.452    0.5471   3.6560  -1.3717
 1KZ  CAN  C  CH2   0  -0.439    2.0007   3.8624  -0.9857
 1KZ  CAR  C  CH2   0  -0.293    2.2873   3.2497   0.3725
 1KZ  N    N  N     0  -0.602    1.9359   1.8174   0.3797
 1KZ  S1   S  S     0   1.358    2.5437   0.9287   1.6570
 1KZ  OAE  O  OS    0  -0.639    3.3591   1.8099   2.4797
 1KZ  OAF  O  OS    0  -0.639    1.4504   0.1937   2.2809
 1KZ  CBA  C  CR6   0  -0.148    3.6488  -0.2380   0.9186
 1KZ  CAL  C  CR16  0  -0.260    4.7335   0.2515   0.2012
 1KZ  CBF  C  CR56  0  -0.253    5.6232  -0.6649  -0.3171
 1KZ  SAX  S  S2    0   0.139    7.0600  -0.3586  -1.2565
 1KZ  CBD  C  CR5   0   0.371    7.4117  -2.1062  -1.3656
 1KZ  OAD  O  O     0  -0.420    8.3610  -2.5728  -1.9407
 1KZ  NAS  N  NR15  0  -0.710    6.4375  -2.7841  -0.6982
 1KZ  CBE  C  CR56  0   0.529    5.4463  -2.0374  -0.1125
 1KZ  CAJ  C  CR16  0  -0.296    4.3654  -2.5111   0.6128
 1KZ  CAI  C  CR16  0  -0.235    3.4612  -1.5972   1.1295
 1KZ  H1   H  HCH3  0   0.229   -6.2996   2.5058  -2.2166
 1KZ  H2   H  HCH3  0   0.229   -6.6090   1.1848  -3.3653
 1KZ  H3   H  HCH3  0   0.261   -7.8373   2.4346  -3.0967
 1KZ  H4   H  HCR6  0   0.285   -5.0442   0.6238  -1.7555
 1KZ  H5   H  HCH3  0   0.224   -9.6800  -1.9677   1.0778
 1KZ  H6   H  HCH3  0   0.224   -9.3821  -0.6475   2.2280
 1KZ  H7   H  HCH3  0   0.258  -10.7576  -0.5610   1.1127
 1KZ  H8   H  HCR6  0   0.283   -7.4605  -1.8641   1.7455
 1KZ  H9   H  HCR6  0   0.277   -5.0790  -2.1873   1.4804
 1KZ  H10  H  HCH2  0   0.238   -2.8945  -1.4164   1.4867
 1KZ  H11  H  HCH2  0   0.240   -3.1033  -2.7621   0.3589
 1KZ  H12  H  HCH2  0   0.255   -0.7605  -2.3106   0.5833
 1KZ  H13  H  HCH2  0   0.253   -1.2575  -1.8763  -1.0587
 1KZ  H14  H  HCH1  0   0.277   -0.1417   1.9494   0.7584
 1KZ  H15  H  HCH2  0   0.246    0.8056   1.6623  -2.1262
 1KZ  H16  H  HCH2  0   0.264   -0.8302   2.0009  -1.5677
 1KZ  H17  H  HCH2  0   0.251    0.3461   4.0620  -2.3643
 1KZ  H18  H  HCH2  0   0.228   -0.1045   4.1878  -0.6718
 1KZ  H19  H  HCH2  0   0.233    2.6567   3.4156  -1.7380
 1KZ  H20  H  HCH2  0   0.252    2.2460   4.9245  -0.9322
 1KZ  H21  H  HCH2  0   0.270    3.3441   3.3596   0.6022
 1KZ  H22  H  HCH2  0   0.240    1.7235   3.7892   1.1421
 1KZ  H25  H  HCR6  0   0.295    4.8827   1.3109   0.0380
 1KZ  H26  H  HNR5  0   0.437    6.4672  -3.7937  -0.6478
 1KZ  H27  H  HCR6  0   0.291    4.2255  -3.5714   0.7725
 1KZ  H28  H  HCR6  0   0.286    2.6095  -1.9557   1.6890

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
 1KZ  CAM  CB   single    1.518  0.020  1.518
 1KZ  CAM  CAN  single    1.518  0.020  1.518
 1KZ  CB   CA   single    1.536  0.020  1.536
 1KZ  CAN  CAR  single    1.517  0.020  1.517
 1KZ  CA   N    single    1.466  0.020  1.466
 1KZ  CA   C    single    1.515  0.020  1.515
 1KZ  O    C    double    1.203  0.020  1.203
 1KZ  CAR  N    single    1.475  0.020  1.475
 1KZ  N    S1   single    1.671  0.020  1.671
 1KZ  C    OAV  single    1.321  0.020  1.321
 1KZ  OAF  S1   double    1.458  0.020  1.458
 1KZ  OAE  S1   double    1.455  0.020  1.455
 1KZ  OAV  CAO  single    1.431  0.020  1.431
 1KZ  CAO  CAP  single    1.503  0.020  1.503
 1KZ  CBA  CAL  aromatic  1.389  0.020  1.389
 1KZ  CBA  CAI  aromatic  1.388  0.020  1.388
 1KZ  OAW  CAP  single    1.411  0.020  1.411
 1KZ  OAW  CAZ  single    1.353  0.020  1.353
 1KZ  CAL  CBF  aromatic  1.378  0.020  1.378
 1KZ  CAB  OAU  single    1.413  0.020  1.413
 1KZ  CAI  CAJ  aromatic  1.386  0.020  1.386
 1KZ  CAK  CAZ  aromatic  1.401  0.020  1.401
 1KZ  CAK  CBC  aromatic  1.382  0.020  1.382
 1KZ  CAZ  CAG  aromatic  1.381  0.020  1.381
 1KZ  CBF  SAX  single    1.744  0.020  1.744
 1KZ  CBF  CBE  aromatic  1.399  0.020  1.399
 1KZ  OAU  CBC  single    1.344  0.020  1.344
 1KZ  CBC  CBB  aromatic  1.413  0.020  1.413
 1KZ  CAJ  CBE  aromatic  1.385  0.020  1.385
 1KZ  SAX  CBD  single    1.786  0.020  1.786
 1KZ  CBE  NAS  single    1.372  0.020  1.372
 1KZ  CAG  CAH  aromatic  1.399  0.020  1.399
 1KZ  CBB  CAH  aromatic  1.379  0.020  1.379
 1KZ  CBB  OAT  single    1.351  0.020  1.351
 1KZ  NAS  CBD  single    1.362  0.020  1.362
 1KZ  CBD  OAD  double    1.204  0.020  1.204
 1KZ  OAT  CAA  single    1.411  0.020  1.411
 1KZ  S1   CBA  single    1.769  0.020  1.769
 1KZ  CAB  H1   single    0.970  0.020  1.090
 1KZ  CAB  H2   single    0.970  0.020  1.090
 1KZ  CAB  H3   single    0.970  0.020  1.090
 1KZ  CAK  H4   single    0.930  0.020  1.080
 1KZ  CAA  H5   single    0.970  0.020  1.090
 1KZ  CAA  H6   single    0.970  0.020  1.090
 1KZ  CAA  H7   single    0.970  0.020  1.090
 1KZ  CAH  H8   single    0.930  0.020  1.080
 1KZ  CAG  H9   single    0.930  0.020  1.080
 1KZ  CAP  H10  single    0.970  0.020  1.090
 1KZ  CAP  H11  single    0.970  0.020  1.090
 1KZ  CAO  H12  single    0.970  0.020  1.090
 1KZ  CAO  H13  single    0.970  0.020  1.090
 1KZ  CA   H14  single    0.970  0.020  1.090
 1KZ  CB   H15  single    0.970  0.020  1.090
 1KZ  CB   H16  single    0.970  0.020  1.090
 1KZ  CAM  H17  single    0.970  0.020  1.090
 1KZ  CAM  H18  single    0.970  0.020  1.090
 1KZ  CAN  H19  single    0.970  0.020  1.090
 1KZ  CAN  H20  single    0.970  0.020  1.090
 1KZ  CAR  H21  single    0.970  0.020  1.090
 1KZ  CAR  H22  single    0.970  0.020  1.090
 1KZ  CAL  H25  single    0.930  0.020  1.080
 1KZ  NAS  H26  single    0.860  0.020  1.020
 1KZ  CAJ  H27  single    0.930  0.020  1.080
 1KZ  CAI  H28  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
 1KZ  H3   CAB  H2   108.79  3.000
 1KZ  H3   CAB  H1   108.82  3.000
 1KZ  H2   CAB  H1   108.79  3.000
 1KZ  H3   CAB  OAU  106.53  3.000
 1KZ  H2   CAB  OAU  111.92  3.000
 1KZ  H1   CAB  OAU  111.88  3.000
 1KZ  CBC  OAU  CAB  118.26  3.000
 1KZ  CBB  CBC  CAK  119.89  3.000
 1KZ  CBB  CBC  OAU  115.55  3.000
 1KZ  CAK  CBC  OAU  124.56  3.000
 1KZ  H4   CAK  CAZ  118.27  3.000
 1KZ  H4   CAK  CBC  121.13  3.000
 1KZ  CAZ  CAK  CBC  120.60  3.000
 1KZ  CAH  CBB  OAT  125.54  3.000
 1KZ  OAT  CBB  CBC  115.71  3.000
 1KZ  CAH  CBB  CBC  118.76  3.000
 1KZ  CAA  OAT  CBB  117.68  3.000
 1KZ  H7   CAA  H6   108.75  3.000
 1KZ  H7   CAA  H5   108.69  3.000
 1KZ  H6   CAA  H5   108.57  3.000
 1KZ  H7   CAA  OAT  106.64  3.000
 1KZ  H6   CAA  OAT  112.06  3.000
 1KZ  H5   CAA  OAT  112.03  3.000
 1KZ  H8   CAH  CAG  117.84  3.000
 1KZ  H8   CAH  CBB  120.63  3.000
 1KZ  CAG  CAH  CBB  121.53  3.000
 1KZ  H9   CAG  CAZ  122.25  3.000
 1KZ  H9   CAG  CAH  118.36  3.000
 1KZ  CAZ  CAG  CAH  119.39  3.000
 1KZ  OAW  CAZ  CAG  124.90  3.000
 1KZ  CAG  CAZ  CAK  119.82  3.000
 1KZ  OAW  CAZ  CAK  115.27  3.000
 1KZ  CAP  OAW  CAZ  118.40  3.000
 1KZ  H11  CAP  H10  107.55  3.000
 1KZ  H11  CAP  CAO  108.10  3.000
 1KZ  H10  CAP  CAO  110.42  3.000
 1KZ  H11  CAP  OAW  111.33  3.000
 1KZ  H10  CAP  OAW  111.18  3.000
 1KZ  CAO  CAP  OAW  108.23  3.000
 1KZ  H13  CAO  H12  108.26  3.000
 1KZ  H13  CAO  OAV  110.43  3.000
 1KZ  H12  CAO  OAV  110.39  3.000
 1KZ  H13  CAO  CAP  110.97  3.000
 1KZ  H12  CAO  CAP  109.00  3.000
 1KZ  OAV  CAO  CAP  107.79  3.000
 1KZ  C    OAV  CAO  117.71  3.000
 1KZ  CA   C    O    124.13  3.000
 1KZ  O    C    OAV  124.61  3.000
 1KZ  CA   C    OAV  111.05  3.000
 1KZ  H14  CA   N    110.52  3.000
 1KZ  H14  CA   CB   108.69  3.000
 1KZ  N    CA   CB   109.99  3.000
 1KZ  H14  CA   C    109.86  3.000
 1KZ  N    CA   C    111.69  3.000
 1KZ  CB   CA   C    105.95  3.000
 1KZ  H16  CB   H15  107.47  3.000
 1KZ  H16  CB   CAM  110.84  3.000
 1KZ  H15  CB   CAM  109.58  3.000
 1KZ  H16  CB   CA   108.11  3.000
 1KZ  H15  CB   CA   108.95  3.000
 1KZ  CAM  CB   CA   111.77  3.000
 1KZ  H18  CAM  H17  106.94  3.000
 1KZ  H18  CAM  CAN  109.97  3.000
 1KZ  H17  CAM  CAN  110.92  3.000
 1KZ  H18  CAM  CB   109.94  3.000
 1KZ  H17  CAM  CB   109.65  3.000
 1KZ  CAN  CAM  CB   109.40  3.000
 1KZ  H20  CAN  H19  107.24  3.000
 1KZ  H20  CAN  CAR  107.86  3.000
 1KZ  H19  CAN  CAR  109.72  3.000
 1KZ  H20  CAN  CAM  111.10  3.000
 1KZ  H19  CAN  CAM  110.12  3.000
 1KZ  CAR  CAN  CAM  110.71  3.000
 1KZ  H22  CAR  H21  107.58  3.000
 1KZ  H22  CAR  N    110.61  3.000
 1KZ  H21  CAR  N    109.19  3.000
 1KZ  H22  CAR  CAN  109.43  3.000
 1KZ  H21  CAR  CAN  109.39  3.000
 1KZ  N    CAR  CAN  110.58  3.000
 1KZ  S1   N    CAR  115.70  3.000
 1KZ  S1   N    CA   115.89  3.000
 1KZ  CAR  N    CA   114.20  3.000
 1KZ  CBA  S1   OAF  108.35  3.000
 1KZ  CBA  S1   OAE  106.58  3.000
 1KZ  OAF  S1   OAE  118.91  3.000
 1KZ  CBA  S1   N    105.02  3.000
 1KZ  OAE  S1   N    108.30  3.000
 1KZ  OAF  S1   N    108.82  3.000
 1KZ  CAI  CBA  CAL  121.93  3.000
 1KZ  CAI  CBA  S1   119.87  3.000
 1KZ  CAL  CBA  S1   118.09  3.000
 1KZ  H25  CAL  CBF  120.34  3.000
 1KZ  H25  CAL  CBA  122.03  3.000
 1KZ  CBF  CAL  CBA  117.63  3.000
 1KZ  CBE  CBF  SAX  110.81  3.000
 1KZ  CBE  CBF  CAL  121.04  3.000
 1KZ  SAX  CBF  CAL  128.15  3.000
 1KZ  CBD  SAX  CBF   91.34  3.000
 1KZ  NAS  CBD  OAD  127.25  3.000
 1KZ  OAD  CBD  SAX  124.31  3.000
 1KZ  NAS  CBD  SAX  108.44  3.000
 1KZ  H26  NAS  CBE  122.91  3.000
 1KZ  H26  NAS  CBD  120.02  3.000
 1KZ  CBE  NAS  CBD  117.07  3.000
 1KZ  CAJ  CBE  NAS  126.94  3.000
 1KZ  NAS  CBE  CBF  112.34  3.000
 1KZ  CAJ  CBE  CBF  120.72  3.000
 1KZ  H27  CAJ  CAI  120.48  3.000
 1KZ  H27  CAJ  CBE  120.90  3.000
 1KZ  CAI  CAJ  CBE  118.62  3.000
 1KZ  H28  CAI  CAJ  119.26  3.000
 1KZ  H28  CAI  CBA  120.68  3.000
 1KZ  CAJ  CAI  CBA  120.06  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
 1KZ  CONST_01  CAG  CAZ  CAK  CBC     0.00   0.0  0
 1KZ  CONST_02  CAG  CAH  CBB  CBC     0.00   0.0  0
 1KZ  CONST_03  CAH  CAG  CAZ  CAK     0.00   0.0  0
 1KZ  CONST_04  CAH  CBB  CBC  CAK     0.00   0.0  0
 1KZ  CONST_05  CAZ  CAK  CBC  CBB     0.00   0.0  0
 1KZ  CONST_06  CAZ  CAG  CAH  CBB     0.00   0.0  0
 1KZ  CONST_07  CBE  CBF  CAL  CBA     0.00   0.0  0
 1KZ  CONST_08  CBE  CAJ  CAI  CBA     0.00   0.0  0
 1KZ  CONST_09  CAJ  CAI  CBA  CAL     0.00   0.0  0
 1KZ  CONST_10  CAJ  CBE  CBF  CAL     0.00   0.0  0
 1KZ  CONST_11  CAI  CBA  CAL  CBF     0.00   0.0  0
 1KZ  CONST_12  CAI  CAJ  CBE  CBF     0.00   0.0  0
 1KZ  CONST_13  CAZ  CAK  CBC  OAU   180.00   0.0  0
 1KZ  CONST_14  CAH  CBB  CBC  OAU   180.00   0.0  0
 1KZ  CONST_15  OAW  CAZ  CAK  CBC   180.00   0.0  0
 1KZ  CONST_16  OAT  CBB  CBC  CAK   180.00   0.0  0
 1KZ  CONST_17  CAG  CAH  CBB  OAT   180.00   0.0  0
 1KZ  CONST_18  OAW  CAZ  CAG  CAH   180.00   0.0  0
 1KZ  CONST_19  CBF  CAL  CBA  S1    180.00   0.0  0
 1KZ  CONST_20  CAJ  CAI  CBA  S1    180.00   0.0  0
 1KZ  CONST_21  H8   CAH  CBB  CBC   180.00   0.0  0
 1KZ  CONST_22  H9   CAG  CAZ  CAK   180.00   0.0  0
 1KZ  CONST_23  H4   CAK  CBC  CBB   180.00   0.0  0
 1KZ  CONST_24  H27  CAJ  CAI  CBA   180.00   0.0  0
 1KZ  CONST_25  H28  CAI  CBA  CAL   180.00   0.0  0
 1KZ  CONST_26  H25  CAL  CBF  SAX     0.00   0.0  0
 1KZ  Var_01    CAN  CAM  CB   CA     55.88  30.0  1
 1KZ  Var_02    CAN  CAR  N    CA    -56.43  30.0  1
 1KZ  Var_03    CAR  CAN  CAM  CB    -56.78  30.0  1
 1KZ  Var_04    N    CAR  CAN  CAM    56.51  30.0  1
 1KZ  Var_05    CBA  S1   N    CA    106.62  30.0  3
 1KZ  Var_06    CAL  CBA  S1   N      60.45  30.0  2
 1KZ  Var_07    CAK  CBC  OAU  CAB     0.11  30.0  2
 1KZ  Var_08    CAH  CBB  OAT  CAA    -0.08  30.0  2
 1KZ  Var_09    CAO  CAP  OAW  CAZ  -178.06  30.0  3
 1KZ  Var_10    CA   C    OAV  CAO   173.68  30.0  2
 1KZ  Var_11    H1   CAB  OAU  CBC   -61.07  30.0  3
 1KZ  Var_12    H5   CAA  OAT  CBB   -60.94  30.0  3
 1KZ  Var_13    OAV  CAO  CAP  OAW    64.78  30.0  1

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
 1KZ  chir_01  CA  CB  N  C  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
 1KZ  plan-1  OAU  0.020
 1KZ  plan-1  CBC  0.020
 1KZ  plan-1  CAK  0.020
 1KZ  plan-1  CBB  0.020
 1KZ  plan-1  OAT  0.020
 1KZ  plan-1  CAH  0.020
 1KZ  plan-1  CAG  0.020
 1KZ  plan-1  CAZ  0.020
 1KZ  plan-1  OAW  0.020
 1KZ  plan-1  H4   0.020
 1KZ  plan-1  H8   0.020
 1KZ  plan-1  H9   0.020
 1KZ  plan-2  S1   0.020
 1KZ  plan-2  CBA  0.020
 1KZ  plan-2  CAL  0.020
 1KZ  plan-2  CBF  0.020
 1KZ  plan-2  SAX  0.020
 1KZ  plan-2  CBD  0.020
 1KZ  plan-2  OAD  0.020
 1KZ  plan-2  NAS  0.020
 1KZ  plan-2  CBE  0.020
 1KZ  plan-2  CAJ  0.020
 1KZ  plan-2  CAI  0.020
 1KZ  plan-2  H25  0.020
 1KZ  plan-2  H26  0.020
 1KZ  plan-2  H27  0.020
 1KZ  plan-2  H28  0.020
 1KZ  plan-3  OAV  0.020
 1KZ  plan-3  C    0.020
 1KZ  plan-3  O    0.020
 1KZ  plan-3  CA   0.020

