# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Tue Apr 21 17:34:39 2020
#   Inital geometry file: a 147 line input string
#   Ligand name: N-{[3'-(6,7-dihydro[1,3]thiazolo[5,4-c]pyridin-5(4H)-ylmethyl)biphenyl-3-yl]methyl}-2-(pyridin-3-yl)ethanamine
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: C(Cc1cccnc1)NCc2cccc(c2)c3cccc(CN4CCc5ncsc5C4)c3
#
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
 CWZ  CWZ  N-{[3'-(6,7-dihydro[1,3]thiazolo[5,4-c]pyridin-5(4H)-ylmethyl)biphenyl-3-yl]methyl}-2-(pyridin-3-yl)ethanamine  ligand  60  32  .  2021-08-07  2022-09-22
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as OK
;

data_comp_CWZ
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
 CWZ  C26   C  CR16  0  -0.347  -1.8216  -0.1279  -0.8377
 CWZ  C18   C  CR6   0   0.107  -2.5422   0.5022  -1.8476
 CWZ  C19   C  CH2   0  -0.336  -3.7551  -0.1715  -2.4352
 CWZ  N2    N  NT    0  -0.426  -4.6682  -0.6385  -1.4107
 CWZ  C25   C  CH2   0  -0.294  -5.2691   0.4808  -0.7068
 CWZ  C24   C  CR5   0  -0.288  -6.2820  -0.0307   0.2608
 CWZ  S     S  S2    0   0.212  -6.9654   0.8515   1.5655
 CWZ  C23   C  CR15  0  -0.233  -7.8979  -0.5354   1.9798
 CWZ  N3    N  N     0  -0.379  -7.7177  -1.5617   1.2162
 CWZ  C22   C  CR5   0   0.327  -6.8055  -1.2838   0.2348
 CWZ  C21   C  CH2   0  -0.505  -6.3928  -2.2720  -0.8029
 CWZ  C20   C  CH2   0  -0.299  -5.6743  -1.5488  -1.9361
 CWZ  C17   C  CR16  0  -0.325  -2.1075   1.7356  -2.3168
 CWZ  C16   C  CR16  0  -0.226  -0.9648   2.3226  -1.7866
 CWZ  C15   C  CR16  0  -0.327  -0.2532   1.6860  -0.7836
 CWZ  C14   C  CR6   0   0.106  -0.6747   0.4465  -0.2943
 CWZ  C12   C  CR6   0   0.114   0.0819  -0.2424   0.7720
 CWZ  C11   C  CR16  0  -0.327  -0.5777  -0.9664   1.7652
 CWZ  C10   C  CR16  0  -0.227   0.1470  -1.6137   2.7547
 CWZ  C9    C  CR16  0  -0.317   1.5328  -1.5504   2.7644
 CWZ  C13   C  CR16  0  -0.368   1.4762  -0.1829   0.7996
 CWZ  C8    C  CR6   0   0.090   2.2126  -0.8285   1.7864
 CWZ  C7    C  CH2   0  -0.295   3.7179  -0.7373   1.8277
 CWZ  N1    N  NH1   0  -0.612   4.2944  -0.4875   0.5256
 CWZ  C     C  CH2   0  -0.241   5.7264  -0.2758   0.5628
 CWZ  C1    C  CH2   0  -0.533   6.2531   0.0630  -0.8299
 CWZ  C2    C  CR6   0   0.028   7.7341   0.2964  -0.8166
 CWZ  C6    C  CR16  0  -0.104   8.6275  -0.7311  -1.1067
 CWZ  N     N  N     0  -0.401   9.9484  -0.6058  -1.0737
 CWZ  C5    C  CR16  0  -0.076  10.4506   0.5776  -0.7412
 CWZ  C4    C  CR16  0  -0.318   9.6591   1.6745  -0.4342
 CWZ  C3    C  CR16  0  -0.193   8.2816   1.5279  -0.4729
 CWZ  H26   H  HCR6  0   0.243  -2.1599  -1.0946  -0.4837
 CWZ  H191  H  HCH2  0   0.219  -4.2449   0.5122  -3.1485
 CWZ  H192  H  HCH2  0   0.260  -3.4307  -1.0413  -3.0134
 CWZ  H17   H  HCR6  0   0.250  -2.6652   2.2432  -3.0948
 CWZ  H251  H  HCH2  0   0.264  -4.4881   1.0386  -0.1848
 CWZ  H252  H  HCH2  0   0.227  -5.7481   1.1906  -1.4039
 CWZ  H201  H  HCH2  0   0.208  -6.4111  -1.0231  -2.5655
 CWZ  H202  H  HCH2  0   0.249  -5.1767  -2.2793  -2.5752
 CWZ  H23   H  HCR5  0   0.299  -8.5752  -0.5139   2.8220
 CWZ  H211  H  HCH2  0   0.251  -5.7373  -3.0285  -0.3619
 CWZ  H212  H  HCH2  0   0.252  -7.2648  -2.7991  -1.1955
 CWZ  H16   H  HCR6  0   0.256  -0.6372   3.2886  -2.1485
 CWZ  H15   H  HCR6  0   0.253   0.6221   2.1660  -0.3635
 CWZ  H11   H  HCR6  0   0.248  -1.6597  -1.0129   1.7773
 CWZ  H13   H  HCR6  0   0.240   2.0056   0.3539   0.0226
 CWZ  H10   H  HCR6  0   0.255  -0.3728  -2.1695   3.5244
 CWZ  H9    H  HCR6  0   0.249   2.0900  -2.0656   3.5383
 CWZ  H71C  H  HCH2  0   0.246   3.9972   0.0954   2.4826
 CWZ  H72C  H  HCH2  0   0.216   4.1174  -1.6411   2.3130
 CWZ  H1    H  HNH1  0   0.347   4.0902  -1.2706  -0.0850
 CWZ  HC1   H  HCH2  0   0.229   5.9322   0.5588   1.2402
 CWZ  HC2   H  HCH2  0   0.203   6.2815  -1.1403   0.9603
 CWZ  H11C  H  HCH2  0   0.248   6.0167  -0.7569  -1.5139
 CWZ  H12C  H  HCH2  0   0.250   5.7320   0.9487  -1.1996
 CWZ  H6    H  HCR6  0   0.255   8.2437  -1.7082  -1.3865
 CWZ  H3    H  HCR6  0   0.266   7.6352   2.3667  -0.2420
 CWZ  H5    H  HCR6  0   0.261  11.5318   0.6591  -0.7199
 CWZ  H4    H  HCR6  0   0.269  10.1143   2.6198  -0.1719

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
 CWZ  C26  C18   aromatic  1.392  0.020  1.392
 CWZ  C26  C14   aromatic  1.393  0.020  1.393
 CWZ  C18  C19   single    1.507  0.020  1.507
 CWZ  C18  C17   aromatic  1.389  0.020  1.389
 CWZ  C19  N2    single    1.450  0.020  1.450
 CWZ  N2   C25   single    1.452  0.020  1.452
 CWZ  N2   C20   single    1.455  0.020  1.455
 CWZ  C25  C24   single    1.491  0.020  1.491
 CWZ  C24  S     aromatic  1.717  0.020  1.717
 CWZ  C24  C22   aromatic  1.358  0.020  1.358
 CWZ  S    C23   aromatic  1.722  0.020  1.722
 CWZ  C23  N3    aromatic  1.292  0.020  1.292
 CWZ  N3   C22   aromatic  1.368  0.020  1.368
 CWZ  C22  C21   single    1.491  0.020  1.491
 CWZ  C21  C20   single    1.524  0.020  1.524
 CWZ  C17  C16   aromatic  1.390  0.020  1.390
 CWZ  C16  C15   aromatic  1.385  0.020  1.385
 CWZ  C15  C14   aromatic  1.398  0.020  1.398
 CWZ  C14  C12   single    1.478  0.020  1.478
 CWZ  C12  C11   aromatic  1.395  0.020  1.395
 CWZ  C12  C13   aromatic  1.396  0.020  1.396
 CWZ  C11  C10   aromatic  1.387  0.020  1.387
 CWZ  C10  C9    aromatic  1.387  0.020  1.387
 CWZ  C9   C8    aromatic  1.393  0.020  1.393
 CWZ  C13  C8    aromatic  1.390  0.020  1.390
 CWZ  C8   C7    single    1.509  0.020  1.509
 CWZ  C7   N1    single    1.446  0.020  1.446
 CWZ  N1   C     single    1.448  0.020  1.448
 CWZ  C    C1    single    1.527  0.020  1.527
 CWZ  C1   C2    single    1.499  0.020  1.499
 CWZ  C2   C6    aromatic  1.392  0.020  1.392
 CWZ  C2   C3    aromatic  1.391  0.020  1.391
 CWZ  C6   N     aromatic  1.327  0.020  1.327
 CWZ  N    C5    aromatic  1.328  0.020  1.328
 CWZ  C5   C4    aromatic  1.387  0.020  1.387
 CWZ  C4   C3    aromatic  1.386  0.020  1.386
 CWZ  C26  H26   single    0.930  0.020  1.080
 CWZ  C19  H191  single    0.970  0.020  1.090
 CWZ  C19  H192  single    0.970  0.020  1.090
 CWZ  C17  H17   single    0.930  0.020  1.080
 CWZ  C25  H251  single    0.970  0.020  1.090
 CWZ  C25  H252  single    0.970  0.020  1.090
 CWZ  C20  H201  single    0.970  0.020  1.090
 CWZ  C20  H202  single    0.970  0.020  1.090
 CWZ  C23  H23   single    0.930  0.020  1.080
 CWZ  C21  H211  single    0.970  0.020  1.090
 CWZ  C21  H212  single    0.970  0.020  1.090
 CWZ  C16  H16   single    0.930  0.020  1.080
 CWZ  C15  H15   single    0.930  0.020  1.080
 CWZ  C11  H11   single    0.930  0.020  1.080
 CWZ  C13  H13   single    0.930  0.020  1.080
 CWZ  C10  H10   single    0.930  0.020  1.080
 CWZ  C9   H9    single    0.930  0.020  1.080
 CWZ  C7   H71C  single    0.970  0.020  1.090
 CWZ  C7   H72C  single    0.970  0.020  1.090
 CWZ  N1   H1    single    0.890  0.020  1.040
 CWZ  C    HC1   single    0.970  0.020  1.090
 CWZ  C    HC2   single    0.970  0.020  1.090
 CWZ  C1   H11C  single    0.970  0.020  1.090
 CWZ  C1   H12C  single    0.970  0.020  1.090
 CWZ  C6   H6    single    0.930  0.020  1.080
 CWZ  C3   H3    single    0.930  0.020  1.080
 CWZ  C5   H5    single    0.930  0.020  1.080
 CWZ  C4   H4    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
 CWZ  H26   C26  C14   119.83  3.000
 CWZ  H26   C26  C18   118.65  3.000
 CWZ  C14   C26  C18   121.52  3.000
 CWZ  C17   C18  C19   121.14  3.000
 CWZ  C17   C18  C26   119.02  3.000
 CWZ  C19   C18  C26   119.83  3.000
 CWZ  H192  C19  H191  106.44  3.000
 CWZ  H192  C19  N2    107.71  3.000
 CWZ  H191  C19  N2    112.15  3.000
 CWZ  H192  C19  C18   108.85  3.000
 CWZ  H191  C19  C18   109.42  3.000
 CWZ  N2    C19  C18   112.05  3.000
 CWZ  C20   N2   C25   111.78  3.000
 CWZ  C20   N2   C19   112.45  3.000
 CWZ  C25   N2   C19   110.79  3.000
 CWZ  H252  C25  H251  106.47  3.000
 CWZ  H252  C25  C24   109.60  3.000
 CWZ  H251  C25  C24   110.53  3.000
 CWZ  H252  C25  N2    111.65  3.000
 CWZ  H251  C25  N2    109.23  3.000
 CWZ  C24   C25  N2    109.34  3.000
 CWZ  C22   C24  S     109.58  3.000
 CWZ  C22   C24  C25   124.46  3.000
 CWZ  S     C24  C25   125.96  3.000
 CWZ  C23   S    C24    89.11  3.000
 CWZ  H23   C23  N3    124.31  3.000
 CWZ  H23   C23  S     120.72  3.000
 CWZ  N3    C23  S     114.97  3.000
 CWZ  C22   N3   C23   110.83  3.000
 CWZ  C21   C22  N3    123.30  3.000
 CWZ  C21   C22  C24   121.20  3.000
 CWZ  N3    C22  C24   115.51  3.000
 CWZ  H212  C21  H211  106.84  3.000
 CWZ  H212  C21  C20   109.76  3.000
 CWZ  H211  C21  C20   110.21  3.000
 CWZ  H212  C21  C22   110.43  3.000
 CWZ  H211  C21  C22   110.10  3.000
 CWZ  C20   C21  C22   109.48  3.000
 CWZ  H202  C20  H201  106.84  3.000
 CWZ  H202  C20  C21   109.45  3.000
 CWZ  H201  C20  C21   109.61  3.000
 CWZ  H202  C20  N2    108.37  3.000
 CWZ  H201  C20  N2    111.71  3.000
 CWZ  C21   C20  N2    110.76  3.000
 CWZ  H17   C17  C16   119.95  3.000
 CWZ  H17   C17  C18   119.82  3.000
 CWZ  C16   C17  C18   120.23  3.000
 CWZ  H16   C16  C15   119.80  3.000
 CWZ  H16   C16  C17   119.89  3.000
 CWZ  C15   C16  C17   120.31  3.000
 CWZ  H15   C15  C14   120.06  3.000
 CWZ  H15   C15  C16   119.51  3.000
 CWZ  C14   C15  C16   120.42  3.000
 CWZ  C12   C14  C15   120.77  3.000
 CWZ  C12   C14  C26   120.72  3.000
 CWZ  C15   C14  C26   118.51  3.000
 CWZ  C13   C12  C11   118.71  3.000
 CWZ  C13   C12  C14   120.39  3.000
 CWZ  C11   C12  C14   120.90  3.000
 CWZ  H11   C11  C10   119.61  3.000
 CWZ  H11   C11  C12   120.18  3.000
 CWZ  C10   C11  C12   120.21  3.000
 CWZ  H10   C10  C9    119.88  3.000
 CWZ  H10   C10  C11   119.74  3.000
 CWZ  C9    C10  C11   120.38  3.000
 CWZ  H9    C9   C8    119.79  3.000
 CWZ  H9    C9   C10   119.79  3.000
 CWZ  C8    C9   C10   120.42  3.000
 CWZ  H13   C13  C8    118.72  3.000
 CWZ  H13   C13  C12   119.70  3.000
 CWZ  C8    C13  C12   121.56  3.000
 CWZ  C7    C8   C13   121.33  3.000
 CWZ  C7    C8   C9    119.94  3.000
 CWZ  C13   C8   C9    118.72  3.000
 CWZ  H72C  C7   H71C  105.54  3.000
 CWZ  H72C  C7   N1    113.21  3.000
 CWZ  H71C  C7   N1    107.78  3.000
 CWZ  H72C  C7   C8    108.94  3.000
 CWZ  H71C  C7   C8    108.46  3.000
 CWZ  N1    C7   C8    112.56  3.000
 CWZ  H1    N1   C     109.12  3.000
 CWZ  H1    N1   C7    109.19  3.000
 CWZ  C     N1   C7    113.36  3.000
 CWZ  HC2   C    HC1   106.28  3.000
 CWZ  HC2   C    C1    109.23  3.000
 CWZ  HC1   C    C1    109.29  3.000
 CWZ  HC2   C    N1    113.14  3.000
 CWZ  HC1   C    N1    108.27  3.000
 CWZ  C1    C    N1    110.49  3.000
 CWZ  H12C  C1   H11C  107.05  3.000
 CWZ  H12C  C1   C2    110.37  3.000
 CWZ  H11C  C1   C2    109.62  3.000
 CWZ  H12C  C1   C     108.91  3.000
 CWZ  H11C  C1   C     109.24  3.000
 CWZ  C2    C1   C     111.54  3.000
 CWZ  C3    C2   C6    116.90  3.000
 CWZ  C3    C2   C1    121.93  3.000
 CWZ  C6    C2   C1    121.14  3.000
 CWZ  H6    C6   N     116.29  3.000
 CWZ  H6    C6   C2    119.39  3.000
 CWZ  N     C6   C2    124.32  3.000
 CWZ  C5    N    C6    117.83  3.000
 CWZ  H5    C5   C4    120.34  3.000
 CWZ  H5    C5   N     116.68  3.000
 CWZ  C4    C5   N     122.98  3.000
 CWZ  H4    C4   C3    121.17  3.000
 CWZ  H4    C4   C5    120.31  3.000
 CWZ  C3    C4   C5    118.51  3.000
 CWZ  H3    C3   C4    120.33  3.000
 CWZ  H3    C3   C2    120.21  3.000
 CWZ  C4    C3   C2    119.46  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
 CWZ  CONST_01  C16  C17  C18  C26     0.00   0.0  0
 CWZ  CONST_02  C16  C15  C14  C26     0.00   0.0  0
 CWZ  CONST_05  C15  C14  C26  C18     0.00   0.0  0
 CWZ  CONST_06  C12  C14  C26  C18   180.00   0.0  0
 CWZ  CONST_07  C15  C16  C17  C18     0.00   0.0  0
 CWZ  CONST_08  N3   C23  S    C24     0.00   0.0  0
 CWZ  CONST_09  C23  N3   C22  C24     0.00   0.0  0
 CWZ  CONST_10  N3   C22  C24  S       0.00   0.0  0
 CWZ  CONST_11  C22  N3   C23  S       0.00   0.0  0
 CWZ  CONST_12  C22  C24  S    C23     0.00   0.0  0
 CWZ  CONST_13  C14  C26  C18  C17     0.00   0.0  0
 CWZ  CONST_14  C14  C15  C16  C17     0.00   0.0  0
 CWZ  CONST_15  C12  C14  C15  C16   180.00   0.0  0
 CWZ  CONST_18  C10  C11  C12  C14   180.00   0.0  0
 CWZ  CONST_19  C8   C13  C12  C14   180.00   0.0  0
 CWZ  CONST_20  C9   C10  C11  C12     0.00   0.0  0
 CWZ  CONST_21  C9   C8   C13  C12     0.00   0.0  0
 CWZ  CONST_22  C8   C13  C12  C11     0.00   0.0  0
 CWZ  CONST_23  C8   C9   C10  C11     0.00   0.0  0
 CWZ  CONST_24  C13  C12  C11  C10     0.00   0.0  0
 CWZ  CONST_25  C13  C8   C9   C10     0.00   0.0  0
 CWZ  CONST_26  C5   N    C6   C2      0.00   0.0  0
 CWZ  CONST_27  C5   C4   C3   C2      0.00   0.0  0
 CWZ  CONST_28  C4   C3   C2   C6      0.00   0.0  0
 CWZ  CONST_29  C4   C5   N    C6      0.00   0.0  0
 CWZ  CONST_30  C3   C2   C6   N       0.00   0.0  0
 CWZ  CONST_31  C3   C4   C5   N       0.00   0.0  0
 CWZ  CONST_32  C14  C26  C18  C19   180.00   0.0  0
 CWZ  CONST_33  C16  C17  C18  C19   180.00   0.0  0
 CWZ  CONST_34  C7   C8   C13  C12   180.00   0.0  0
 CWZ  CONST_35  C7   C8   C9   C10   180.00   0.0  0
 CWZ  CONST_36  N    C6   C2   C1    180.00   0.0  0
 CWZ  CONST_37  C4   C3   C2   C1    180.00   0.0  0
 CWZ  CONST_38  H17  C17  C18  C26   180.00   0.0  0
 CWZ  CONST_39  H15  C15  C14  C26   180.00   0.0  0
 CWZ  CONST_40  H16  C16  C17  C18   180.00   0.0  0
 CWZ  CONST_41  H23  C23  S    C24   180.00   0.0  0
 CWZ  CONST_42  H26  C26  C18  C17   180.00   0.0  0
 CWZ  CONST_43  H11  C11  C12  C14     0.00   0.0  0
 CWZ  CONST_44  H13  C13  C12  C14     0.00   0.0  0
 CWZ  CONST_45  H10  C10  C11  C12   180.00   0.0  0
 CWZ  CONST_46  H9   C9   C10  C11   180.00   0.0  0
 CWZ  CONST_47  H4   C4   C3   C2    180.00   0.0  0
 CWZ  CONST_48  H3   C3   C2   C6    180.00   0.0  0
 CWZ  CONST_49  H5   C5   N    C6    180.00   0.0  0
 CWZ  CONST_50  H6   C6   N    C5    180.00   0.0  0
 CWZ  Var_01    S    C24  C25  N2    164.10  30.0  1
 CWZ  Var_02    C22  C21  C20  N2     47.76  30.0  1
 CWZ  Var_03    C21  C20  N2   C25   -68.29  30.0  1
 CWZ  Var_04    C20  N2   C25  C24    49.17  30.0  1
 CWZ  Var_05    C20  C21  C22  C24   -15.30  30.0  1
 CWZ  Var_06    N2   C19  C18  C26    49.76  30.0  2
 CWZ  Var_07    C25  N2   C19  C18    67.34  30.0  3
 CWZ  Var_08    N1   C7   C8   C9    154.98  30.0  2
 CWZ  Var_09    C6   C2   C1   C      94.16  30.0  2
 CWZ  Var_10    C    N1   C7   C8    174.70  30.0  3
 CWZ  Var_11    C2   C1   C    N1    179.61  30.0  3
 CWZ  Var_12    C1   C    N1   C7   -176.65  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
 CWZ  plan-1  C26  0.020
 CWZ  plan-1  C18  0.020
 CWZ  plan-1  C19  0.020
 CWZ  plan-1  C17  0.020
 CWZ  plan-1  C16  0.020
 CWZ  plan-1  C15  0.020
 CWZ  plan-1  C14  0.020
 CWZ  plan-1  C12  0.020
 CWZ  plan-1  H26  0.020
 CWZ  plan-1  H17  0.020
 CWZ  plan-1  H16  0.020
 CWZ  plan-1  H15  0.020
 CWZ  plan-2  C14  0.020
 CWZ  plan-2  C12  0.020
 CWZ  plan-2  C11  0.020
 CWZ  plan-2  C10  0.020
 CWZ  plan-2  C9   0.020
 CWZ  plan-2  C13  0.020
 CWZ  plan-2  C8   0.020
 CWZ  plan-2  C7   0.020
 CWZ  plan-2  H11  0.020
 CWZ  plan-2  H13  0.020
 CWZ  plan-2  H10  0.020
 CWZ  plan-2  H9   0.020
 CWZ  plan-3  C25  0.020
 CWZ  plan-3  C24  0.020
 CWZ  plan-3  S    0.020
 CWZ  plan-3  C23  0.020
 CWZ  plan-3  N3   0.020
 CWZ  plan-3  C22  0.020
 CWZ  plan-3  C21  0.020
 CWZ  plan-3  H23  0.020
 CWZ  plan-4  C1   0.020
 CWZ  plan-4  C2   0.020
 CWZ  plan-4  C6   0.020
 CWZ  plan-4  N    0.020
 CWZ  plan-4  C5   0.020
 CWZ  plan-4  C4   0.020
 CWZ  plan-4  C3   0.020
 CWZ  plan-4  H6   0.020
 CWZ  plan-4  H3   0.020
 CWZ  plan-4  H5   0.020
 CWZ  plan-4  H4   0.020

