# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Sat May  9 10:38:37 2020
#   Inital geometry file: a 152 line input string
#   Ligand name: 4-(4-{[4-(4-cyano-2,6-dimethylphenoxy)pyrimidin-2-yl]amino}piperidin-1-yl)benzenesulfonamide
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: Cc1cc(cc(C)c1Oc2ccnc(NC3CCN(CC3)c4ccc(cc4)[S](N)(=O)=O)n2)C#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
 JGZ  JGZ  4-(4-{[4-(4-cyano-2,6-dimethylphenoxy)pyrimidin-2-yl]amino}piperidin-1-yl)benzenesulfonamide  ligand  60  34  .  2021-08-12  2021-08-12  
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as OK
;

data_comp_JGZ
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
 JGZ  C1    C  CR6   0   0.558  -4.6187  -1.9951  -0.0295
 JGZ  C2    C  CR16  0  -0.447  -4.3924  -3.3714  -0.0380
 JGZ  C3    C  CR16  0  -0.010  -3.0795  -3.7297  -0.2552
 JGZ  N4    N  N     0  -0.480  -2.0945  -2.8597  -0.4473
 JGZ  C5    C  CR6   0   0.612  -2.4392  -1.5718  -0.4305
 JGZ  N6    N  N     0  -0.500  -3.6815  -1.1050  -0.2189
 JGZ  O7    O  O2    0  -0.499  -5.8763  -1.5738   0.1883
 JGZ  C8    C  CR6   0   0.302  -6.1328  -0.2229   0.2249
 JGZ  N9    N  NH1   0  -0.663  -1.4929  -0.6448  -0.6598
 JGZ  C10   C  CH1   0  -0.066  -0.0776  -0.9264  -0.7513
 JGZ  C11   C  CH2   0  -0.444   0.6141   0.1650  -1.5519
 JGZ  C12   C  CH2   0  -0.315   2.1169  -0.0635  -1.6335
 JGZ  N13   N  NT    0  -0.512   2.7014  -0.2046  -0.3129
 JGZ  C14   C  CH2   0  -0.311   2.0796  -1.2546   0.4849
 JGZ  C15   C  CH2   0  -0.435   0.5817  -1.0428   0.6188
 JGZ  C16   C  CR6   0   0.410   4.0240   0.1093  -0.1142
 JGZ  C17   C  CR16  0  -0.332   4.5683   0.1546   1.1849
 JGZ  C18   C  CR16  0  -0.218   5.8813   0.5115   1.4032
 JGZ  C19   C  CR6   0  -0.257   6.7052   0.8292   0.3289
 JGZ  C20   C  CR16  0  -0.202   6.1989   0.7861  -0.9638
 JGZ  C21   C  CR16  0  -0.358   4.8841   0.4294  -1.1832
 JGZ  C22   C  CR6   0   0.067  -6.4955   0.4132  -0.9595
 JGZ  C23   C  CR16  0  -0.327  -6.8371   1.7560  -0.8896
 JGZ  C24   C  CR6   0   0.036  -6.8051   2.4251   0.3312
 JGZ  C25   C  CR16  0  -0.326  -6.4318   1.7627   1.4979
 JGZ  C26   C  CR6   0   0.066  -6.0831   0.4208   1.4586
 JGZ  C27   C  CH3   0  -0.727  -5.6723  -0.3098   2.7006
 JGZ  C28   C  CH3   0  -0.727  -6.5179  -0.3275  -2.2615
 JGZ  C29   C  CSP   0   0.052  -7.1663   3.8042   0.3906
 JGZ  N30   N  NS    0  -0.254  -7.4656   4.9159   0.4421
 JGZ  S31   S  S     0   1.355   8.3802   1.2762   0.5914
 JGZ  N32   N  NC2   0  -0.887   9.1666  -0.1157   0.1529
 JGZ  O33   O  OS    0  -0.674   8.7937   2.2762  -0.3849
 JGZ  O34   O  OS    0  -0.660   8.5500   1.5936   2.0052
 JGZ  H2    H  HCR6  0   0.280  -5.1770  -4.0961   0.1171
 JGZ  H3    H  HCR6  0   0.273  -2.8021  -4.7780  -0.2738
 JGZ  HN9   H  HNH1  0   0.390  -1.7728   0.3139  -0.5210
 JGZ  H10   H  HCH1  0   0.246   0.0367  -1.8770  -1.2789
 JGZ  H11   H  HCH2  0   0.255   0.2149   0.2048  -2.5673
 JGZ  H11A  H  HCH2  0   0.233   0.4246   1.1387  -1.0886
 JGZ  H12   H  HCH2  0   0.227   2.3269  -0.9444  -2.2569
 JGZ  H12A  H  HCH2  0   0.264   2.5550   0.7977  -2.1349
 JGZ  H14   H  HCH2  0   0.231   2.2757  -2.2316   0.0207
 JGZ  H14A  H  HCH2  0   0.265   2.5224  -1.2884   1.4762
 JGZ  H15   H  HCH2  0   0.229   0.3912  -0.1328   1.1951
 JGZ  H15A  H  HCH2  0   0.248   0.1542  -1.8801   1.1744
 JGZ  H17   H  HCR6  0   0.275   3.9515  -0.0563   2.0468
 JGZ  H18   H  HCR6  0   0.278   6.2514   0.5537   2.4187
 JGZ  H20   H  HCR6  0   0.279   6.8279   1.0141  -1.8146
 JGZ  H21   H  HCR6  0   0.280   4.5399   0.3795  -2.2057
 JGZ  H23   H  HCR6  0   0.279  -7.1272   2.2835  -1.7889
 JGZ  H25   H  HCR6  0   0.279  -6.4140   2.2951   2.4399
 JGZ  H27   H  HCH3  0   0.254  -4.6409  -0.6598   2.6335
 JGZ  H27A  H  HCH3  0   0.258  -5.7422   0.3423   3.5692
 JGZ  H27B  H  HCH3  0   0.258  -6.3005  -1.1815   2.8841
 JGZ  H28   H  HCH3  0   0.257  -7.1579  -1.2090  -2.2122
 JGZ  H28A  H  HCH3  0   0.258  -6.8891   0.3105  -3.0611
 JGZ  H28B  H  HCH3  0   0.255  -5.5187  -0.6633  -2.5438
 JGZ  HN32  H  HNC2  0   0.411   9.0023  -0.8719   0.8100
 JGZ  HN3A  H  HNC2  0   0.414  10.1660   0.0426   0.0570

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
 JGZ  C1   C2    aromatic  1.395  0.020  1.395
 JGZ  C1   N6    aromatic  1.306  0.020  1.306
 JGZ  C1   O7    single    1.344  0.020  1.344
 JGZ  C2   C3    aromatic  1.378  0.020  1.378
 JGZ  C3   N4    aromatic  1.328  0.020  1.328
 JGZ  N4   C5    aromatic  1.333  0.020  1.333
 JGZ  C5   N6    aromatic  1.344  0.020  1.344
 JGZ  C5   N9    single    1.344  0.020  1.344
 JGZ  O7   C8    single    1.376  0.020  1.376
 JGZ  C8   C22   aromatic  1.392  0.020  1.392
 JGZ  C8   C26   aromatic  1.392  0.020  1.392
 JGZ  N9   C10   single    1.446  0.020  1.446
 JGZ  C10  C11   single    1.520  0.020  1.520
 JGZ  C10  C15   single    1.525  0.020  1.525
 JGZ  C11  C12   single    1.522  0.020  1.522
 JGZ  C12  N13   single    1.451  0.020  1.451
 JGZ  N13  C14   single    1.458  0.020  1.458
 JGZ  N13  C16   single    1.374  0.020  1.374
 JGZ  C14  C15   single    1.519  0.020  1.519
 JGZ  C16  C17   aromatic  1.409  0.020  1.409
 JGZ  C16  C21   aromatic  1.409  0.020  1.409
 JGZ  C17  C18   aromatic  1.378  0.020  1.378
 JGZ  C18  C19   aromatic  1.391  0.020  1.391
 JGZ  C19  C20   aromatic  1.389  0.020  1.389
 JGZ  C19  S31   single    1.753  0.020  1.753
 JGZ  C20  C21   aromatic  1.380  0.020  1.380
 JGZ  C22  C23   aromatic  1.387  0.020  1.387
 JGZ  C22  C28   single    1.498  0.020  1.498
 JGZ  C23  C24   aromatic  1.393  0.020  1.393
 JGZ  C24  C25   aromatic  1.393  0.020  1.393
 JGZ  C24  C29   single    1.427  0.020  1.427
 JGZ  C25  C26   aromatic  1.387  0.020  1.387
 JGZ  C26  C27   single    1.498  0.020  1.498
 JGZ  C29  N30   triple    1.152  0.020  1.152
 JGZ  S31  N32   single    1.658  0.020  1.658
 JGZ  S31  O33   double    1.457  0.020  1.457
 JGZ  S31  O34   double    1.459  0.020  1.459
 JGZ  C2   H2    single    0.930  0.020  1.080
 JGZ  C3   H3    single    0.930  0.020  1.080
 JGZ  N9   HN9   single    0.860  0.020  1.020
 JGZ  C10  H10   single    0.970  0.020  1.090
 JGZ  C11  H11   single    0.970  0.020  1.090
 JGZ  C11  H11A  single    0.970  0.020  1.090
 JGZ  C12  H12   single    0.970  0.020  1.090
 JGZ  C12  H12A  single    0.970  0.020  1.090
 JGZ  C14  H14   single    0.970  0.020  1.090
 JGZ  C14  H14A  single    0.970  0.020  1.090
 JGZ  C15  H15   single    0.970  0.020  1.090
 JGZ  C15  H15A  single    0.970  0.020  1.090
 JGZ  C17  H17   single    0.930  0.020  1.080
 JGZ  C18  H18   single    0.930  0.020  1.080
 JGZ  C20  H20   single    0.930  0.020  1.080
 JGZ  C21  H21   single    0.930  0.020  1.080
 JGZ  C23  H23   single    0.930  0.020  1.080
 JGZ  C25  H25   single    0.930  0.020  1.080
 JGZ  C27  H27   single    0.970  0.020  1.090
 JGZ  C27  H27A  single    0.970  0.020  1.090
 JGZ  C27  H27B  single    0.970  0.020  1.090
 JGZ  C28  H28   single    0.970  0.020  1.090
 JGZ  C28  H28A  single    0.970  0.020  1.090
 JGZ  C28  H28B  single    0.970  0.020  1.090
 JGZ  N32  HN32  single    0.890  0.020  1.040
 JGZ  N32  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
 JGZ  O7    C1   N6    118.76  3.000
 JGZ  O7    C1   C2    117.52  3.000
 JGZ  N6    C1   C2    123.71  3.000
 JGZ  H2    C2   C3    122.73  3.000
 JGZ  H2    C2   C1    122.94  3.000
 JGZ  C3    C2   C1    114.33  3.000
 JGZ  H3    C3   N4    116.17  3.000
 JGZ  H3    C3   C2    119.85  3.000
 JGZ  N4    C3   C2    123.98  3.000
 JGZ  C5    N4   C3    116.05  3.000
 JGZ  N9    C5   N6    115.98  3.000
 JGZ  N9    C5   N4    118.81  3.000
 JGZ  N6    C5   N4    125.20  3.000
 JGZ  C5    N6   C1    116.70  3.000
 JGZ  C8    O7   C1    119.12  3.000
 JGZ  C26   C8   C22   123.49  3.000
 JGZ  C26   C8   O7    118.09  3.000
 JGZ  C22   C8   O7    118.33  3.000
 JGZ  HN9   N9   C10   117.75  3.000
 JGZ  HN9   N9   C5    115.90  3.000
 JGZ  C10   N9   C5    124.43  3.000
 JGZ  H10   C10  C15   108.79  3.000
 JGZ  H10   C10  C11   108.81  3.000
 JGZ  C15   C10  C11   109.35  3.000
 JGZ  H10   C10  N9    107.59  3.000
 JGZ  C15   C10  N9    112.41  3.000
 JGZ  C11   C10  N9    109.81  3.000
 JGZ  H11A  C11  H11   107.33  3.000
 JGZ  H11A  C11  C12   109.09  3.000
 JGZ  H11   C11  C12   108.45  3.000
 JGZ  H11A  C11  C10   109.69  3.000
 JGZ  H11   C11  C10   110.47  3.000
 JGZ  C12   C11  C10   111.70  3.000
 JGZ  H12A  C12  H12   107.20  3.000
 JGZ  H12A  C12  N13   109.52  3.000
 JGZ  H12   C12  N13   111.17  3.000
 JGZ  H12A  C12  C11   107.66  3.000
 JGZ  H12   C12  C11   109.83  3.000
 JGZ  N13   C12  C11   111.31  3.000
 JGZ  C16   N13  C14   119.74  3.000
 JGZ  C16   N13  C12   119.81  3.000
 JGZ  C14   N13  C12   113.35  3.000
 JGZ  H14A  C14  H14   106.55  3.000
 JGZ  H14A  C14  C15   109.02  3.000
 JGZ  H14   C14  C15   109.70  3.000
 JGZ  H14A  C14  N13   110.36  3.000
 JGZ  H14   C14  N13   109.45  3.000
 JGZ  C15   C14  N13   111.62  3.000
 JGZ  H15A  C15  H15   107.56  3.000
 JGZ  H15A  C15  C14   108.91  3.000
 JGZ  H15   C15  C14   109.52  3.000
 JGZ  H15A  C15  C10   110.27  3.000
 JGZ  H15   C15  C10   109.54  3.000
 JGZ  C14   C15  C10   110.97  3.000
 JGZ  C21   C16  C17   117.16  3.000
 JGZ  C21   C16  N13   122.00  3.000
 JGZ  C17   C16  N13   120.83  3.000
 JGZ  H17   C17  C18   117.90  3.000
 JGZ  H17   C17  C16   120.57  3.000
 JGZ  C18   C17  C16   121.49  3.000
 JGZ  H18   C18  C19   120.91  3.000
 JGZ  H18   C18  C17   119.01  3.000
 JGZ  C19   C18  C17   120.08  3.000
 JGZ  S31   C19  C20   119.70  3.000
 JGZ  S31   C19  C18   120.56  3.000
 JGZ  C20   C19  C18   119.74  3.000
 JGZ  H20   C20  C21   118.89  3.000
 JGZ  H20   C20  C19   120.88  3.000
 JGZ  C21   C20  C19   120.22  3.000
 JGZ  H21   C21  C20   117.78  3.000
 JGZ  H21   C21  C16   120.89  3.000
 JGZ  C20   C21  C16   121.32  3.000
 JGZ  C28   C22  C23   121.24  3.000
 JGZ  C28   C22  C8    121.15  3.000
 JGZ  C23   C22  C8    117.61  3.000
 JGZ  H23   C23  C24   120.04  3.000
 JGZ  H23   C23  C22   119.73  3.000
 JGZ  C24   C23  C22   120.23  3.000
 JGZ  C29   C24  C25   119.52  3.000
 JGZ  C29   C24  C23   119.67  3.000
 JGZ  C25   C24  C23   120.81  3.000
 JGZ  H25   C25  C26   119.77  3.000
 JGZ  H25   C25  C24   119.98  3.000
 JGZ  C26   C25  C24   120.26  3.000
 JGZ  C27   C26  C25   121.15  3.000
 JGZ  C27   C26  C8    121.26  3.000
 JGZ  C25   C26  C8    117.60  3.000
 JGZ  H27B  C27  H27A  107.92  3.000
 JGZ  H27B  C27  H27   107.37  3.000
 JGZ  H27A  C27  H27   107.58  3.000
 JGZ  H27B  C27  C26   111.80  3.000
 JGZ  H27A  C27  C26   110.60  3.000
 JGZ  H27   C27  C26   111.39  3.000
 JGZ  H28B  C28  H28A  107.62  3.000
 JGZ  H28B  C28  H28   107.48  3.000
 JGZ  H28A  C28  H28   107.88  3.000
 JGZ  H28B  C28  C22   111.30  3.000
 JGZ  H28A  C28  C22   110.72  3.000
 JGZ  H28   C28  C22   111.67  3.000
 JGZ  N30   C29  C24   180.00  3.000
 JGZ  O34   S31  O33   117.83  3.000
 JGZ  O34   S31  N32   112.57  3.000
 JGZ  O33   S31  N32   105.33  3.000
 JGZ  O34   S31  C19   108.17  3.000
 JGZ  O33   S31  C19   110.22  3.000
 JGZ  N32   S31  C19   101.51  3.000
 JGZ  HN3A  N32  HN32  109.65  3.000
 JGZ  HN3A  N32  S31   111.14  3.000
 JGZ  HN32  N32  S31   112.18  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
 JGZ  CONST_01  N4    C3   C2   C1     0.00   0.0  0
 JGZ  CONST_02  N4    C5   N6   C1     0.00   0.0  0
 JGZ  CONST_03  C5    N6   C1   C2     0.00   0.0  0
 JGZ  CONST_04  C5    N4   C3   C2     0.00   0.0  0
 JGZ  CONST_05  N6    C1   C2   C3     0.00   0.0  0
 JGZ  CONST_06  N6    C5   N4   C3     0.00   0.0  0
 JGZ  CONST_07  C24   C23  C22  C8     0.00   0.0  0
 JGZ  CONST_08  C24   C25  C26  C8     0.00   0.0  0
 JGZ  CONST_09  C19   C18  C17  C16    0.00   0.0  0
 JGZ  CONST_10  C19   C20  C21  C16    0.00   0.0  0
 JGZ  CONST_11  C20   C21  C16  C17    0.00   0.0  0
 JGZ  CONST_12  C20   C19  C18  C17    0.00   0.0  0
 JGZ  CONST_13  C21   C16  C17  C18    0.00   0.0  0
 JGZ  CONST_14  C21   C20  C19  C18    0.00   0.0  0
 JGZ  CONST_15  C25   C26  C8   C22    0.00   0.0  0
 JGZ  CONST_16  C25   C24  C23  C22    0.00   0.0  0
 JGZ  CONST_17  C26   C8   C22  C23    0.00   0.0  0
 JGZ  CONST_18  C26   C25  C24  C23    0.00   0.0  0
 JGZ  CONST_19  C18   C17  C16  N13  180.00   0.0  0
 JGZ  CONST_20  C20   C21  C16  N13  180.00   0.0  0
 JGZ  CONST_21  N9    C5   N6   C1   180.00   0.0  0
 JGZ  CONST_22  O7    C1   C2   C3   180.00   0.0  0
 JGZ  CONST_23  N9    C5   N4   C3   180.00   0.0  0
 JGZ  CONST_24  O7    C1   N6   C5   180.00   0.0  0
 JGZ  CONST_25  C23   C22  C8   O7   180.00   0.0  0
 JGZ  CONST_26  C25   C26  C8   O7   180.00   0.0  0
 JGZ  CONST_27  S31   C19  C18  C17  180.00   0.0  0
 JGZ  CONST_28  S31   C19  C20  C21  180.00   0.0  0
 JGZ  CONST_29  C27   C26  C8   C22  180.00   0.0  0
 JGZ  CONST_30  C29   C24  C23  C22  180.00   0.0  0
 JGZ  CONST_31  C28   C22  C23  C24  180.00   0.0  0
 JGZ  CONST_32  C27   C26  C25  C24  180.00   0.0  0
 JGZ  CONST_33  C28   C22  C8   C26  180.00   0.0  0
 JGZ  CONST_34  C29   C24  C25  C26  180.00   0.0  0
 JGZ  CONST_35  C10   N9   C5   N4     0.00   0.0  0
 JGZ  CONST_36  C10   N9   C5   N6   180.00   0.0  0
 JGZ  CONST_37  H3    C3   C2   C1   180.00   0.0  0
 JGZ  CONST_38  H2    C2   C3   N4   180.00   0.0  0
 JGZ  CONST_39  H23   C23  C22  C8   180.00   0.0  0
 JGZ  CONST_40  H25   C25  C26  C8   180.00   0.0  0
 JGZ  CONST_41  H17   C17  C16  N13    0.00   0.0  0
 JGZ  CONST_42  H21   C21  C16  N13    0.00   0.0  0
 JGZ  CONST_43  H18   C18  C17  C16  180.00   0.0  0
 JGZ  CONST_44  H20   C20  C21  C16  180.00   0.0  0
 JGZ  CONST_45  HN9   N9   C5   N4   180.00   0.0  0
 JGZ  Var_01    N13   C12  C11  C10  -54.69  30.0  1
 JGZ  Var_02    N13   C14  C15  C10   55.31  30.0  1
 JGZ  Var_03    C14   N13  C12  C11   55.35  30.0  1
 JGZ  Var_04    C15   C14  N13  C12  -56.06  30.0  1
 JGZ  Var_05    C17   C16  N13  C12  171.38  30.0  2
 JGZ  Var_06    C22   C8   O7   C1    91.35  30.0  2
 JGZ  Var_07    N32   S31  C19  C18  103.16  30.0  2
 JGZ  Var_08    H28   C28  C22  C8    55.90  30.0  2
 JGZ  Var_09    H27   C27  C26  C8    63.26  30.0  2
 JGZ  Var_10    HN32  N32  S31  C19  -69.15  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
 JGZ  chir_01  C10  N9  C11  C15  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
 JGZ  plan-1  C1   0.020
 JGZ  plan-1  C2   0.020
 JGZ  plan-1  C3   0.020
 JGZ  plan-1  N4   0.020
 JGZ  plan-1  C5   0.020
 JGZ  plan-1  N6   0.020
 JGZ  plan-1  O7   0.020
 JGZ  plan-1  N9   0.020
 JGZ  plan-1  H2   0.020
 JGZ  plan-1  H3   0.020
 JGZ  plan-2  O7   0.020
 JGZ  plan-2  C8   0.020
 JGZ  plan-2  C22  0.020
 JGZ  plan-2  C23  0.020
 JGZ  plan-2  C24  0.020
 JGZ  plan-2  C25  0.020
 JGZ  plan-2  C26  0.020
 JGZ  plan-2  C27  0.020
 JGZ  plan-2  C28  0.020
 JGZ  plan-2  C29  0.020
 JGZ  plan-2  N30  0.020
 JGZ  plan-2  H23  0.020
 JGZ  plan-2  H25  0.020
 JGZ  plan-3  N13  0.020
 JGZ  plan-3  C16  0.020
 JGZ  plan-3  C17  0.020
 JGZ  plan-3  C18  0.020
 JGZ  plan-3  C19  0.020
 JGZ  plan-3  C20  0.020
 JGZ  plan-3  C21  0.020
 JGZ  plan-3  S31  0.020
 JGZ  plan-3  H17  0.020
 JGZ  plan-3  H18  0.020
 JGZ  plan-3  H20  0.020
 JGZ  plan-3  H21  0.020
 JGZ  plan-4  C5   0.020
 JGZ  plan-4  N9   0.020
 JGZ  plan-4  C10  0.020
 JGZ  plan-4  HN9  0.020

