# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Thu Jun 11 04:20:06 2020
#   Inital geometry file: a 146 line input string
#   Ligand name: 4-[(5,6-dimethyl-2,2'-bipyridin-3-yl)oxy]-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: COc1cc(Nc2cc(Oc3cc(C)c(C)nc3c4ccccn4)ccn2)cc(OC)c1OC
#
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
 ZZG  ZZG  4-[(5,6-dimethyl-2,2'-bipyridin-3-yl)oxy]-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine  ligand  60  34  .  2021-08-25  2021-08-25  
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as PERFECT
;

data_comp_ZZG
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
 ZZG  C1    C  CH3   0  -0.439   6.0248  -3.1929  -2.0341
 ZZG  O2    O  O2    0  -0.466   6.3054  -2.5276  -0.8186
 ZZG  C3    C  CR6   0   0.351   5.3643  -1.7256  -0.2912
 ZZG  C4    C  CR16  0  -0.560   4.1181  -1.5074  -0.8642
 ZZG  C5    C  CR6   0   0.426   3.1987  -0.6523  -0.2453
 ZZG  N6    N  NH1   0  -0.798   1.9822  -0.5014  -0.8975
 ZZG  C7    C  CR6   0   0.566   0.8778   0.2553  -0.6050
 ZZG  C8    C  CR16  0  -0.515  -0.2176   0.1706  -1.4774
 ZZG  C9    C  CR6   0   0.492  -1.3364   0.9245  -1.1970
 ZZG  O10   O  O2    0  -0.500  -2.3634   0.8430  -2.0732
 ZZG  C11   C  CR6   0   0.254  -3.6066   1.2692  -1.6951
 ZZG  C12   C  CR16  0  -0.248  -4.1555   2.3457  -2.3728
 ZZG  C13   C  CR6   0   0.030  -5.4112   2.8168  -2.0315
 ZZG  C14   C  CH3   0  -0.739  -6.0324   3.9754  -2.7455
 ZZG  C15   C  CR6   0   0.193  -6.0678   2.1774  -0.9680
 ZZG  C16   C  CH3   0  -0.742  -7.4138   2.6460  -0.5077
 ZZG  N17   N  N     0  -0.440  -5.5328   1.1468  -0.3335
 ZZG  C18   C  CR6   0   0.146  -4.3388   0.6672  -0.6744
 ZZG  C19   C  CR6   0   0.195  -3.8569  -0.4954   0.1072
 ZZG  C20   C  CR16  0  -0.304  -4.2002  -0.6157   1.4525
 ZZG  C21   C  CR16  0  -0.159  -3.7347  -1.7098   2.1611
 ZZG  C22   C  CR16  0  -0.319  -2.9499  -2.6481   1.5071
 ZZG  C23   C  CR16  0  -0.076  -2.6722  -2.4441   0.1638
 ZZG  N24   N  N     0  -0.409  -3.1113  -1.3988  -0.5223
 ZZG  C25   C  CR16  0  -0.439  -1.3535   1.7465  -0.0680
 ZZG  C26   C  CR16  0  -0.034  -0.2209   1.7440   0.7172
 ZZG  N27   N  N     0  -0.487   0.8716   1.0273   0.4754
 ZZG  C28   C  CR16  0  -0.527   3.5334  -0.0198   0.9509
 ZZG  C29   C  CR6   0   0.381   4.7871  -0.2493   1.5161
 ZZG  O30   O  O2    0  -0.467   5.1936   0.3179   2.6661
 ZZG  C31   C  CH3   0  -0.439   4.3021   1.1708   3.3549
 ZZG  C32   C  CR6   0   0.144   5.7083  -1.1041   0.9126
 ZZG  O33   O  O2    0  -0.483   6.9193  -1.3415   1.4890
 ZZG  C34   C  CH3   0  -0.407   7.9399  -0.4410   1.0836
 ZZG  H11C  H  HCH3  0   0.229   5.1670  -3.8642  -1.9445
 ZZG  H12C  H  HCH3  0   0.229   5.8375  -2.4906  -2.8505
 ZZG  H13C  H  HCH3  0   0.261   6.9069  -3.7814  -2.2737
 ZZG  H4    H  HCR6  0   0.286   3.8453  -1.9887  -1.7944
 ZZG  H6    H  HNH1  0   0.413   1.8977  -1.0498  -1.7385
 ZZG  H28   H  HCR6  0   0.309   2.8215   0.6381   1.4185
 ZZG  H8    H  HCR6  0   0.281  -0.1973  -0.4798  -2.3429
 ZZG  H25   H  HCR6  0   0.286  -2.1960   2.3702   0.1945
 ZZG  H12   H  HCR6  0   0.278  -3.5869   2.8170  -3.1659
 ZZG  H141  H  HCH3  0   0.253  -7.0059   3.7116  -3.1631
 ZZG  H142  H  HCH3  0   0.254  -6.1946   4.8179  -2.0703
 ZZG  H143  H  HCH3  0   0.259  -5.4015   4.3211  -3.5626
 ZZG  H161  H  HCH3  0   0.251  -8.1513   2.5967  -1.3111
 ZZG  H162  H  HCH3  0   0.257  -7.7670   2.0344   0.3193
 ZZG  H163  H  HCH3  0   0.250  -7.3794   3.6858  -0.1757
 ZZG  H20   H  HCR6  0   0.268  -4.8120   0.1370   1.9290
 ZZG  H21   H  HCR6  0   0.273  -3.9778  -1.8262   3.2089
 ZZG  H22   H  HCR6  0   0.272  -2.5614  -3.5168   2.0202
 ZZG  H23   H  HCR6  0   0.260  -2.0685  -3.1593  -0.3836
 ZZG  H26   H  HCR6  0   0.263  -0.1893   2.3682   1.6031
 ZZG  H311  H  HCH3  0   0.227   4.0329   2.0493   2.7628
 ZZG  H312  H  HCH3  0   0.228   3.3868   0.6528   3.6523
 ZZG  H313  H  HCH3  0   0.261   4.8232   1.4998   4.2505
 ZZG  H341  H  HCH3  0   0.234   8.8601  -0.7523   1.5757
 ZZG  H342  H  HCH3  0   0.218   8.0976  -0.4662   0.0023
 ZZG  H343  H  HCH3  0   0.219   7.7165   0.5869   1.3801

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
 ZZG  C1   O2    single    1.414  0.020  1.414
 ZZG  O2   C3    single    1.344  0.020  1.344
 ZZG  C3   C4    aromatic  1.389  0.020  1.389
 ZZG  C3   C32   aromatic  1.398  0.020  1.398
 ZZG  C4   C5    aromatic  1.400  0.020  1.400
 ZZG  C5   N6    single    1.389  0.020  1.389
 ZZG  C5   C28   aromatic  1.394  0.020  1.394
 ZZG  N6   C7    single    1.370  0.020  1.370
 ZZG  C7   C8    aromatic  1.403  0.020  1.403
 ZZG  C7   N27   aromatic  1.328  0.020  1.328
 ZZG  C8   C9    aromatic  1.378  0.020  1.378
 ZZG  C9   O10   single    1.352  0.020  1.352
 ZZG  C9   C25   aromatic  1.397  0.020  1.397
 ZZG  O10  C11   single    1.368  0.020  1.368
 ZZG  C11  C12   aromatic  1.385  0.020  1.385
 ZZG  C11  C18   aromatic  1.393  0.020  1.393
 ZZG  C12  C13   aromatic  1.384  0.020  1.384
 ZZG  C13  C14   single    1.496  0.020  1.496
 ZZG  C13  C15   aromatic  1.404  0.020  1.404
 ZZG  C15  C16   single    1.498  0.020  1.498
 ZZG  C15  N17   aromatic  1.323  0.020  1.323
 ZZG  N17  C18   aromatic  1.331  0.020  1.331
 ZZG  C18  C19   single    1.482  0.020  1.482
 ZZG  C19  C20   aromatic  1.394  0.020  1.394
 ZZG  C19  N24   aromatic  1.330  0.020  1.330
 ZZG  C20  C21   aromatic  1.384  0.020  1.384
 ZZG  C21  C22   aromatic  1.387  0.020  1.387
 ZZG  C22  C23   aromatic  1.387  0.020  1.387
 ZZG  C23  N24   aromatic  1.325  0.020  1.325
 ZZG  C25  C26   aromatic  1.378  0.020  1.378
 ZZG  C26  N27   aromatic  1.329  0.020  1.329
 ZZG  C28  C29   aromatic  1.394  0.020  1.394
 ZZG  C29  O30   single    1.345  0.020  1.345
 ZZG  C29  C32   aromatic  1.394  0.020  1.394
 ZZG  O30  C31   single    1.413  0.020  1.413
 ZZG  C32  O33   single    1.362  0.020  1.362
 ZZG  O33  C34   single    1.420  0.020  1.420
 ZZG  C1   H11C  single    0.970  0.020  1.090
 ZZG  C1   H12C  single    0.970  0.020  1.090
 ZZG  C1   H13C  single    0.970  0.020  1.090
 ZZG  C4   H4    single    0.930  0.020  1.080
 ZZG  N6   H6    single    0.860  0.020  1.020
 ZZG  C28  H28   single    0.930  0.020  1.080
 ZZG  C8   H8    single    0.930  0.020  1.080
 ZZG  C25  H25   single    0.930  0.020  1.080
 ZZG  C12  H12   single    0.930  0.020  1.080
 ZZG  C14  H141  single    0.970  0.020  1.090
 ZZG  C14  H142  single    0.970  0.020  1.090
 ZZG  C14  H143  single    0.970  0.020  1.090
 ZZG  C16  H161  single    0.970  0.020  1.090
 ZZG  C16  H162  single    0.970  0.020  1.090
 ZZG  C16  H163  single    0.970  0.020  1.090
 ZZG  C20  H20   single    0.930  0.020  1.080
 ZZG  C21  H21   single    0.930  0.020  1.080
 ZZG  C22  H22   single    0.930  0.020  1.080
 ZZG  C23  H23   single    0.930  0.020  1.080
 ZZG  C26  H26   single    0.930  0.020  1.080
 ZZG  C31  H311  single    0.970  0.020  1.090
 ZZG  C31  H312  single    0.970  0.020  1.090
 ZZG  C31  H313  single    0.970  0.020  1.090
 ZZG  C34  H341  single    0.970  0.020  1.090
 ZZG  C34  H342  single    0.970  0.020  1.090
 ZZG  C34  H343  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
 ZZG  H13C  C1   H12C  108.80  3.000
 ZZG  H13C  C1   H11C  108.81  3.000
 ZZG  H12C  C1   H11C  108.74  3.000
 ZZG  H13C  C1   O2    106.45  3.000
 ZZG  H12C  C1   O2    111.95  3.000
 ZZG  H11C  C1   O2    111.99  3.000
 ZZG  C3    O2   C1    118.63  3.000
 ZZG  C32   C3   C4    120.42  3.000
 ZZG  C32   C3   O2    115.52  3.000
 ZZG  C4    C3   O2    124.06  3.000
 ZZG  H4    C4   C5    119.09  3.000
 ZZG  H4    C4   C3    120.72  3.000
 ZZG  C5    C4   C3    120.19  3.000
 ZZG  C28   C5   N6    124.34  3.000
 ZZG  C28   C5   C4    119.93  3.000
 ZZG  N6    C5   C4    115.73  3.000
 ZZG  H6    N6   C7    114.28  3.000
 ZZG  H6    N6   C5    113.98  3.000
 ZZG  C7    N6   C5    131.74  3.000
 ZZG  N27   C7   C8    122.51  3.000
 ZZG  N27   C7   N6    119.90  3.000
 ZZG  C8    C7   N6    117.59  3.000
 ZZG  H8    C8   C9    120.43  3.000
 ZZG  H8    C8   C7    121.25  3.000
 ZZG  C9    C8   C7    118.32  3.000
 ZZG  C25   C9   O10   123.35  3.000
 ZZG  C25   C9   C8    119.77  3.000
 ZZG  O10   C9   C8    116.86  3.000
 ZZG  C11   O10  C9    119.50  3.000
 ZZG  C18   C11  C12   119.08  3.000
 ZZG  C18   C11  O10   123.08  3.000
 ZZG  C12   C11  O10   117.84  3.000
 ZZG  H12   C12  C13   120.57  3.000
 ZZG  H12   C12  C11   119.21  3.000
 ZZG  C13   C12  C11   120.22  3.000
 ZZG  C15   C13  C14   121.34  3.000
 ZZG  C15   C13  C12   117.14  3.000
 ZZG  C14   C13  C12   121.51  3.000
 ZZG  H143  C14  H142  107.78  3.000
 ZZG  H143  C14  H141  107.84  3.000
 ZZG  H142  C14  H141  106.89  3.000
 ZZG  H143  C14  C13   111.32  3.000
 ZZG  H142  C14  C13   111.35  3.000
 ZZG  H141  C14  C13   111.45  3.000
 ZZG  N17   C15  C16   117.37  3.000
 ZZG  N17   C15  C13   121.93  3.000
 ZZG  C16   C15  C13   120.70  3.000
 ZZG  H163  C16  H162  108.33  3.000
 ZZG  H163  C16  H161  106.74  3.000
 ZZG  H162  C16  H161  108.35  3.000
 ZZG  H163  C16  C15   111.29  3.000
 ZZG  H162  C16  C15   110.46  3.000
 ZZG  H161  C16  C15   111.52  3.000
 ZZG  C18   N17  C15   121.37  3.000
 ZZG  C19   C18  N17   116.06  3.000
 ZZG  C19   C18  C11   123.69  3.000
 ZZG  N17   C18  C11   120.23  3.000
 ZZG  N24   C19  C20   122.44  3.000
 ZZG  N24   C19  C18   117.76  3.000
 ZZG  C20   C19  C18   119.79  3.000
 ZZG  H20   C20  C21   121.02  3.000
 ZZG  H20   C20  C19   120.33  3.000
 ZZG  C21   C20  C19   118.65  3.000
 ZZG  H21   C21  C22   120.73  3.000
 ZZG  H21   C21  C20   120.35  3.000
 ZZG  C22   C21  C20   118.93  3.000
 ZZG  H22   C22  C23   120.39  3.000
 ZZG  H22   C22  C21   121.54  3.000
 ZZG  C23   C22  C21   118.07  3.000
 ZZG  H23   C23  N24   116.32  3.000
 ZZG  H23   C23  C22   120.23  3.000
 ZZG  N24   C23  C22   123.44  3.000
 ZZG  C23   N24  C19   118.47  3.000
 ZZG  H25   C25  C26   120.22  3.000
 ZZG  H25   C25  C9    123.07  3.000
 ZZG  C26   C25  C9    116.70  3.000
 ZZG  H26   C26  N27   115.80  3.000
 ZZG  H26   C26  C25   119.24  3.000
 ZZG  N27   C26  C25   124.96  3.000
 ZZG  C26   N27  C7    117.73  3.000
 ZZG  H28   C28  C29   121.28  3.000
 ZZG  H28   C28  C5    119.43  3.000
 ZZG  C29   C28  C5    119.28  3.000
 ZZG  C32   C29  O30   115.41  3.000
 ZZG  C32   C29  C28   121.30  3.000
 ZZG  O30   C29  C28   123.29  3.000
 ZZG  C31   O30  C29   118.73  3.000
 ZZG  H313  C31  H312  108.70  3.000
 ZZG  H313  C31  H311  108.72  3.000
 ZZG  H312  C31  H311  108.79  3.000
 ZZG  H313  C31  O30   106.37  3.000
 ZZG  H312  C31  O30   112.03  3.000
 ZZG  H311  C31  O30   112.11  3.000
 ZZG  O33   C32  C29   120.74  3.000
 ZZG  O33   C32  C3    120.39  3.000
 ZZG  C29   C32  C3    118.87  3.000
 ZZG  C34   O33  C32   114.05  3.000
 ZZG  H343  C34  H342  108.64  3.000
 ZZG  H343  C34  H341  108.60  3.000
 ZZG  H342  C34  H341  108.57  3.000
 ZZG  H343  C34  O33   111.84  3.000
 ZZG  H342  C34  O33   111.81  3.000
 ZZG  H341  C34  O33   107.27  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
 ZZG  CONST_01  C28   C5   C4   C3      0.00   0.0  0
 ZZG  CONST_02  C28   C29  C32  C3      0.00   0.0  0
 ZZG  CONST_03  C29   C32  C3   C4      0.00   0.0  0
 ZZG  CONST_04  C29   C28  C5   C4      0.00   0.0  0
 ZZG  CONST_05  C32   C3   C4   C5      0.00   0.0  0
 ZZG  CONST_06  C32   C29  C28  C5      0.00   0.0  0
 ZZG  CONST_07  C25   C9   C8   C7      0.00   0.0  0
 ZZG  CONST_08  C25   C26  N27  C7      0.00   0.0  0
 ZZG  CONST_09  C26   N27  C7   C8      0.00   0.0  0
 ZZG  CONST_10  C26   C25  C9   C8      0.00   0.0  0
 ZZG  CONST_11  N27   C7   C8   C9      0.00   0.0  0
 ZZG  CONST_12  N27   C26  C25  C9      0.00   0.0  0
 ZZG  CONST_13  C15   C13  C12  C11     0.00   0.0  0
 ZZG  CONST_14  C15   N17  C18  C11     0.00   0.0  0
 ZZG  CONST_17  N17   C18  C11  C12     0.00   0.0  0
 ZZG  CONST_18  C19   C18  C11  C12   180.00   0.0  0
 ZZG  CONST_19  N17   C15  C13  C12     0.00   0.0  0
 ZZG  CONST_20  C18   C11  C12  C13     0.00   0.0  0
 ZZG  CONST_21  C18   N17  C15  C13     0.00   0.0  0
 ZZG  CONST_22  C19   C18  N17  C15   180.00   0.0  0
 ZZG  CONST_25  C21   C20  C19  C18   180.00   0.0  0
 ZZG  CONST_26  C23   N24  C19  C18   180.00   0.0  0
 ZZG  CONST_27  C22   C21  C20  C19     0.00   0.0  0
 ZZG  CONST_28  C22   C23  N24  C19     0.00   0.0  0
 ZZG  CONST_29  C23   N24  C19  C20     0.00   0.0  0
 ZZG  CONST_30  C23   C22  C21  C20     0.00   0.0  0
 ZZG  CONST_31  N24   C19  C20  C21     0.00   0.0  0
 ZZG  CONST_32  N24   C23  C22  C21     0.00   0.0  0
 ZZG  CONST_33  C5    C4   C3   O2    180.00   0.0  0
 ZZG  CONST_34  C29   C32  C3   O2    180.00   0.0  0
 ZZG  CONST_35  N6    C5   C4   C3    180.00   0.0  0
 ZZG  CONST_36  O30   C29  C32  C3    180.00   0.0  0
 ZZG  CONST_37  O33   C32  C3   C4    180.00   0.0  0
 ZZG  CONST_38  O30   C29  C28  C5    180.00   0.0  0
 ZZG  CONST_39  C29   C28  C5   N6    180.00   0.0  0
 ZZG  CONST_40  C9    C8   C7   N6    180.00   0.0  0
 ZZG  CONST_41  C26   N27  C7   N6    180.00   0.0  0
 ZZG  CONST_42  O10   C9   C8   C7    180.00   0.0  0
 ZZG  CONST_43  C26   C25  C9   O10   180.00   0.0  0
 ZZG  CONST_44  C13   C12  C11  O10   180.00   0.0  0
 ZZG  CONST_45  N17   C18  C11  O10   180.00   0.0  0
 ZZG  CONST_46  C19   C18  C11  O10     0.00   0.0  0
 ZZG  CONST_47  C14   C13  C12  C11   180.00   0.0  0
 ZZG  CONST_48  C16   C15  C13  C12   180.00   0.0  0
 ZZG  CONST_49  N17   C15  C13  C14   180.00   0.0  0
 ZZG  CONST_50  C18   N17  C15  C16   180.00   0.0  0
 ZZG  CONST_51  O33   C32  C29  C28   180.00   0.0  0
 ZZG  CONST_52  H28   C28  C5   C4    180.00   0.0  0
 ZZG  CONST_53  H26   C26  N27  C7    180.00   0.0  0
 ZZG  CONST_54  H25   C25  C9   C8    180.00   0.0  0
 ZZG  CONST_55  H12   C12  C13  C15   180.00   0.0  0
 ZZG  CONST_56  H20   C20  C19  C18     0.00   0.0  0
 ZZG  CONST_57  H21   C21  C20  C19   180.00   0.0  0
 ZZG  CONST_58  H23   C23  N24  C19   180.00   0.0  0
 ZZG  CONST_59  H22   C22  C21  C20   180.00   0.0  0
 ZZG  CONST_60  H8    C8   C9   C25   180.00   0.0  0
 ZZG  CONST_61  H4    C4   C5   C28   180.00   0.0  0
 ZZG  Var_01    C7    N6   C5   C4   -178.70  30.0  2
 ZZG  Var_02    C8    C7   N6   C5   -179.27  30.0  2
 ZZG  Var_03    C12   C11  O10  C9    116.29  30.0  2
 ZZG  Var_04    C25   C9   O10  C11   -18.64  30.0  2
 ZZG  Var_05    C4    C3   O2   C1      0.24  30.0  2
 ZZG  Var_06    C32   C29  O30  C31  -178.42  30.0  2
 ZZG  Var_07    H141  C14  C13  C12   123.80  30.0  2
 ZZG  Var_08    H161  C16  C15  C13    59.31  30.0  2
 ZZG  Var_09    H11C  C1   O2   C3    -61.01  30.0  3
 ZZG  Var_10    H311  C31  O30  C29   -62.16  30.0  3
 ZZG  Var_11    H341  C34  O33  C32  -177.84  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
 ZZG  plan-1  O2   0.020
 ZZG  plan-1  C3   0.020
 ZZG  plan-1  C4   0.020
 ZZG  plan-1  C5   0.020
 ZZG  plan-1  N6   0.020
 ZZG  plan-1  C28  0.020
 ZZG  plan-1  C29  0.020
 ZZG  plan-1  O30  0.020
 ZZG  plan-1  C32  0.020
 ZZG  plan-1  O33  0.020
 ZZG  plan-1  H4   0.020
 ZZG  plan-1  H28  0.020
 ZZG  plan-2  N6   0.020
 ZZG  plan-2  C7   0.020
 ZZG  plan-2  C8   0.020
 ZZG  plan-2  C9   0.020
 ZZG  plan-2  O10  0.020
 ZZG  plan-2  C25  0.020
 ZZG  plan-2  C26  0.020
 ZZG  plan-2  N27  0.020
 ZZG  plan-2  H8   0.020
 ZZG  plan-2  H25  0.020
 ZZG  plan-2  H26  0.020
 ZZG  plan-3  O10  0.020
 ZZG  plan-3  C11  0.020
 ZZG  plan-3  C12  0.020
 ZZG  plan-3  C13  0.020
 ZZG  plan-3  C14  0.020
 ZZG  plan-3  C15  0.020
 ZZG  plan-3  C16  0.020
 ZZG  plan-3  N17  0.020
 ZZG  plan-3  C18  0.020
 ZZG  plan-3  C19  0.020
 ZZG  plan-3  H12  0.020
 ZZG  plan-4  C18  0.020
 ZZG  plan-4  C19  0.020
 ZZG  plan-4  C20  0.020
 ZZG  plan-4  C21  0.020
 ZZG  plan-4  C22  0.020
 ZZG  plan-4  C23  0.020
 ZZG  plan-4  N24  0.020
 ZZG  plan-4  H20  0.020
 ZZG  plan-4  H21  0.020
 ZZG  plan-4  H22  0.020
 ZZG  plan-4  H23  0.020

