# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Tue Jul 21 23:01:46 2020
#   Inital geometry file: a 157 line input string
#   Ligand name: (4R,11R,18R)-4,11,18-tri(propan-2-yl)-6,13,20-triselena-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.1~5,8~.1~12,15~]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: CC(C)[C@H]1NC(=O)c2c[se]c(n2)[C@H](NC(=O)c3c[se]c(n3)[C@H](NC(=O)c4c[se]c1n4)C(C)C)C(C)C
#
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
 0JZ  0JZ  (4R,11R,18R)-4,11,18-tri(propan-2-yl)-6,13,20-triselena-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.1~5,8~.1~12,15~]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione  ligand  66  36  .  2022-03-08  2022-03-08
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as PERFECT
;

data_comp_0JZ
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
 0JZ  SE1   SE  SE    0   0.370  -3.5557  -3.6194  -1.5448
 0JZ  SE2   SE  SE    0   0.369   4.8619  -1.3503  -1.4536
 0JZ  SE3   SE  SE    0   0.369  -1.3561   4.9264  -1.3332
 0JZ  C01   C   CR5   0   0.190  -2.4364   2.5557  -0.9711
 0JZ  C02   C   C     0   0.529  -3.3898   1.4169  -0.9055
 0JZ  N03   N   NH1   0  -0.649  -2.8342   0.2564  -0.5243
 0JZ  C04   C   CH1   0  -0.136  -3.6008  -0.9393  -0.2693
 0JZ  C05   C   CR5   0   0.033  -2.7956  -2.1288  -0.7098
 0JZ  C07   C   CR15  0  -0.530  -1.8487  -4.2997  -1.5483
 0JZ  C08   C   CR5   0   0.191  -0.9939  -3.4054  -0.9888
 0JZ  C09   C   C     0   0.526   0.4619  -3.6662  -0.8390
 0JZ  N10   N   NH1   0  -0.646   1.1539  -2.6173  -0.3695
 0JZ  C11   C   CH1   0  -0.144   2.5662  -2.6538  -0.0812
 0JZ  C12   C   CR5   0   0.037   3.1942  -1.3941  -0.6093
 0JZ  C14   C   CR15  0  -0.530   4.5936   0.4646  -1.5597
 0JZ  C15   C   CR5   0   0.190   3.3922   0.7858  -1.0147
 0JZ  C16   C   C     0   0.529   2.8911   2.1828  -0.9253
 0JZ  N17   N   NH1   0  -0.647   1.6380   2.2815  -0.4547
 0JZ  C18   C   CH1   0  -0.144   0.9948   3.5382  -0.1623
 0JZ  C19   C   CR5   0   0.037  -0.4360   3.4646  -0.6163
 0JZ  C21   C   CR15  0  -0.529  -2.7909   3.7830  -1.4315
 0JZ  N22   N   N     0  -0.411  -1.1487   2.3961  -0.5354
 0JZ  N23   N   N     0  -0.413   2.6391  -0.2376  -0.5075
 0JZ  N24   N   N     0  -0.413  -1.5236  -2.2251  -0.5421
 0JZ  O26   O   O     0  -0.481   0.9513  -4.7486  -1.1262
 0JZ  O27   O   O     0  -0.481   3.5863   3.1332  -1.2529
 0JZ  C28   C   CH1   0  -0.226  -4.0447  -1.0200   1.2124
 0JZ  C29   C   CH3   0  -0.674  -4.9237  -2.2360   1.4779
 0JZ  C30   C   CH3   0  -0.664  -2.8804  -0.9614   2.1921
 0JZ  C31   C   CH1   0  -0.221   2.8303  -2.8696   1.4299
 0JZ  C32   C   CH3   0  -0.674   4.3198  -2.9677   1.7350
 0JZ  C33   C   CH3   0  -0.669   2.1475  -1.8317   2.3125
 0JZ  C34   C   CH1   0  -0.226   1.1393   3.9000   1.3371
 0JZ  C35   C   CH3   0  -0.672   0.6287   5.3024   1.6435
 0JZ  C36   C   CH3   0  -0.661   0.5025   2.8715   2.2634
 0JZ  HN03  H   HNH1  0   0.400  -1.8461   0.2489  -0.3196
 0JZ  H04   H   HCH1  0   0.291  -4.5076  -0.8876  -0.8756
 0JZ  H07   H   HCR5  0   0.314  -1.5977  -5.2717  -1.9469
 0JZ  HN10  H   HNH1  0   0.401   0.6442  -1.7687  -0.1745
 0JZ  H11   H   HCH1  0   0.292   2.9866  -3.5117  -0.6105
 0JZ  H14   H   HCR5  0   0.313   5.3089   1.1445  -1.9989
 0JZ  HN17  H   HNH1  0   0.400   1.1568   1.4265  -0.2180
 0JZ  H18   H   HCH1  0   0.291   1.5103   4.3114  -0.7355
 0JZ  H21   H   HCR5  0   0.313  -3.7596   4.0798  -1.8054
 0JZ  H28   H   HCH1  0   0.248  -4.6611  -0.1272   1.3584
 0JZ  H29   H   HCH3  0   0.227  -4.3470  -3.1624   1.4863
 0JZ  H29A  H   HCH3  0   0.246  -5.3992  -2.1463   2.4551
 0JZ  H29B  H   HCH3  0   0.234  -5.7183  -2.3381   0.7358
 0JZ  H30   H   HCH3  0   0.229  -2.2194  -1.8232   2.0908
 0JZ  H30A  H   HCH3  0   0.222  -2.2795  -0.0593   2.0693
 0JZ  H30B  H   HCH3  0   0.240  -3.2599  -0.9557   3.2145
 0JZ  H31   H   HCH1  0   0.247   2.3832  -3.8447   1.6495
 0JZ  H32   H   HCH3  0   0.227   4.8245  -2.0041   1.6476
 0JZ  H32A  H   HCH3  0   0.245   4.4670  -3.3168   2.7574
 0JZ  H32B  H   HCH3  0   0.234   4.8234  -3.6744   1.0721
 0JZ  H33   H   HCH3  0   0.222   1.0626  -1.8530   2.2023
 0JZ  H33A  H   HCH3  0   0.241   2.3656  -2.0359   3.3613
 0JZ  H33B  H   HCH3  0   0.230   2.4887  -0.8185   2.0957
 0JZ  H34   H   HCH1  0   0.249   2.2202   3.8976   1.5121
 0JZ  H35   H   HCH3  0   0.227  -0.4606   5.3593   1.6092
 0JZ  H35A  H   HCH3  0   0.246   0.9334   5.5976   2.6479
 0JZ  H35B  H   HCH3  0   0.235   1.0307   6.0419   0.9480
 0JZ  H36   H   HCH3  0   0.216   0.8626   1.8586   2.0746
 0JZ  H36A  H   HCH3  0   0.242   0.7452   3.1066   3.3002
 0JZ  H36B  H   HCH3  0   0.229  -0.5847   2.8655   2.1731
 0JZ  O25   O   O     0  -0.482  -4.5730   1.5591  -1.1779

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
 0JZ  C05  SE1   aromatic  1.870  0.020  1.870
 0JZ  SE1  C07   aromatic  1.838  0.020  1.838
 0JZ  C14  SE2   aromatic  1.838  0.020  1.838
 0JZ  C12  SE2   aromatic  1.870  0.020  1.870
 0JZ  SE3  C19   aromatic  1.870  0.020  1.870
 0JZ  SE3  C21   aromatic  1.837  0.020  1.837
 0JZ  N22  C01   aromatic  1.369  0.020  1.369
 0JZ  C21  C01   aromatic  1.358  0.020  1.358
 0JZ  C01  C02   single    1.487  0.020  1.487
 0JZ  N03  C02   single    1.342  0.020  1.342
 0JZ  C02  O25   double    1.222  0.020  1.222
 0JZ  N03  C04   single    1.443  0.020  1.443
 0JZ  N03  HN03  single    0.860  0.020  1.020
 0JZ  C28  C04   single    1.549  0.020  1.549
 0JZ  C04  C05   single    1.502  0.020  1.502
 0JZ  C04  H04   single    0.970  0.020  1.090
 0JZ  C05  N24   aromatic  1.287  0.020  1.287
 0JZ  C08  C07   aromatic  1.358  0.020  1.358
 0JZ  C07  H07   single    0.930  0.020  1.080
 0JZ  N24  C08   aromatic  1.369  0.020  1.369
 0JZ  C08  C09   single    1.487  0.020  1.487
 0JZ  N10  C09   single    1.341  0.020  1.341
 0JZ  C09  O26   double    1.222  0.020  1.222
 0JZ  C11  N10   single    1.442  0.020  1.442
 0JZ  N10  HN10  single    0.860  0.020  1.020
 0JZ  C31  C11   single    1.549  0.020  1.549
 0JZ  C12  C11   single    1.503  0.020  1.503
 0JZ  C11  H11   single    0.970  0.020  1.090
 0JZ  N23  C12   aromatic  1.287  0.020  1.287
 0JZ  C15  C14   aromatic  1.358  0.020  1.358
 0JZ  C14  H14   single    0.930  0.020  1.080
 0JZ  C16  C15   single    1.487  0.020  1.487
 0JZ  C15  N23   aromatic  1.368  0.020  1.368
 0JZ  N17  C16   single    1.342  0.020  1.342
 0JZ  O27  C16   double    1.222  0.020  1.222
 0JZ  C18  N17   single    1.442  0.020  1.442
 0JZ  N17  HN17  single    0.860  0.020  1.020
 0JZ  C34  C18   single    1.549  0.020  1.549
 0JZ  C18  C19   single    1.503  0.020  1.503
 0JZ  C18  H18   single    0.970  0.020  1.090
 0JZ  C19  N22   aromatic  1.287  0.020  1.287
 0JZ  C21  H21   single    0.930  0.020  1.080
 0JZ  C29  C28   single    1.524  0.020  1.524
 0JZ  C28  C30   single    1.523  0.020  1.523
 0JZ  C28  H28   single    0.970  0.020  1.090
 0JZ  C29  H29   single    0.970  0.020  1.090
 0JZ  C29  H29A  single    0.970  0.020  1.090
 0JZ  C29  H29B  single    0.970  0.020  1.090
 0JZ  C30  H30   single    0.970  0.020  1.090
 0JZ  C30  H30A  single    0.970  0.020  1.090
 0JZ  C30  H30B  single    0.970  0.020  1.090
 0JZ  C32  C31   single    1.524  0.020  1.524
 0JZ  C33  C31   single    1.524  0.020  1.524
 0JZ  C31  H31   single    0.970  0.020  1.090
 0JZ  C32  H32   single    0.970  0.020  1.090
 0JZ  C32  H32A  single    0.970  0.020  1.090
 0JZ  C32  H32B  single    0.970  0.020  1.090
 0JZ  C33  H33   single    0.970  0.020  1.090
 0JZ  C33  H33A  single    0.970  0.020  1.090
 0JZ  C33  H33B  single    0.970  0.020  1.090
 0JZ  C36  C34   single    1.524  0.020  1.524
 0JZ  C35  C34   single    1.524  0.020  1.524
 0JZ  C34  H34   single    0.970  0.020  1.090
 0JZ  C35  H35   single    0.970  0.020  1.090
 0JZ  C35  H35A  single    0.970  0.020  1.090
 0JZ  C35  H35B  single    0.970  0.020  1.090
 0JZ  C36  H36   single    0.970  0.020  1.090
 0JZ  C36  H36A  single    0.970  0.020  1.090
 0JZ  C36  H36B  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
 0JZ  C07   SE1  C05    85.32  3.000
 0JZ  C14   SE2  C12    85.35  3.000
 0JZ  C21   SE3  C19    85.31  3.000
 0JZ  N22   C01  C21   117.32  3.000
 0JZ  C21   C01  C02   122.67  3.000
 0JZ  N22   C01  C02   120.00  3.000
 0JZ  O25   C02  N03   124.38  3.000
 0JZ  O25   C02  C01   121.45  3.000
 0JZ  N03   C02  C01   114.17  3.000
 0JZ  HN03  N03  C04   118.56  3.000
 0JZ  HN03  N03  C02   118.00  3.000
 0JZ  C04   N03  C02   123.15  3.000
 0JZ  H04   C04  C28   107.19  3.000
 0JZ  H04   C04  C05   108.65  3.000
 0JZ  C28   C04  C05   113.13  3.000
 0JZ  H04   C04  N03   107.68  3.000
 0JZ  C05   C04  N03   108.63  3.000
 0JZ  C28   C04  N03   111.37  3.000
 0JZ  N24   C05  C04   123.42  3.000
 0JZ  N24   C05  SE1   113.60  3.000
 0JZ  C04   C05  SE1   122.97  3.000
 0JZ  H07   C07  C08   126.76  3.000
 0JZ  H07   C07  SE1   123.35  3.000
 0JZ  C08   C07  SE1   109.89  3.000
 0JZ  N24   C08  C09   119.83  3.000
 0JZ  C09   C08  C07   122.85  3.000
 0JZ  N24   C08  C07   117.32  3.000
 0JZ  O26   C09  N10   124.62  3.000
 0JZ  O26   C09  C08   121.59  3.000
 0JZ  N10   C09  C08   113.79  3.000
 0JZ  HN10  N10  C11   118.52  3.000
 0JZ  HN10  N10  C09   117.69  3.000
 0JZ  C11   N10  C09   123.74  3.000
 0JZ  H11   C11  C31   107.32  3.000
 0JZ  H11   C11  C12   109.10  3.000
 0JZ  C31   C11  C12   112.84  3.000
 0JZ  H11   C11  N10   107.46  3.000
 0JZ  C12   C11  N10   108.52  3.000
 0JZ  C31   C11  N10   111.44  3.000
 0JZ  N23   C12  C11   123.03  3.000
 0JZ  N23   C12  SE2   113.54  3.000
 0JZ  C11   C12  SE2   123.42  3.000
 0JZ  H14   C14  C15   126.89  3.000
 0JZ  H14   C14  SE2   123.25  3.000
 0JZ  C15   C14  SE2   109.85  3.000
 0JZ  N23   C15  C16   119.67  3.000
 0JZ  N23   C15  C14   117.32  3.000
 0JZ  C16   C15  C14   122.99  3.000
 0JZ  O27   C16  N17   124.60  3.000
 0JZ  O27   C16  C15   121.52  3.000
 0JZ  N17   C16  C15   113.88  3.000
 0JZ  HN17  N17  C18   118.57  3.000
 0JZ  HN17  N17  C16   117.72  3.000
 0JZ  C18   N17  C16   123.49  3.000
 0JZ  H18   C18  C34   107.38  3.000
 0JZ  H18   C18  C19   109.00  3.000
 0JZ  C34   C18  C19   113.12  3.000
 0JZ  H18   C18  N17   107.47  3.000
 0JZ  C19   C18  N17   108.71  3.000
 0JZ  C34   C18  N17   110.99  3.000
 0JZ  N22   C19  C18   123.29  3.000
 0JZ  N22   C19  SE3   113.62  3.000
 0JZ  C18   C19  SE3   123.09  3.000
 0JZ  H21   C21  C01   126.87  3.000
 0JZ  H21   C21  SE3   123.23  3.000
 0JZ  C01   C21  SE3   109.90  3.000
 0JZ  C19   N22  C01   113.84  3.000
 0JZ  C15   N23  C12   113.92  3.000
 0JZ  C08   N24  C05   113.86  3.000
 0JZ  H28   C28  C30   108.26  3.000
 0JZ  H28   C28  C29   107.63  3.000
 0JZ  C30   C28  C29   111.08  3.000
 0JZ  H28   C28  C04   104.27  3.000
 0JZ  C30   C28  C04   113.23  3.000
 0JZ  C29   C28  C04   111.93  3.000
 0JZ  H29B  C29  H29A  107.42  3.000
 0JZ  H29B  C29  H29   108.08  3.000
 0JZ  H29A  C29  H29   107.06  3.000
 0JZ  H29B  C29  C28   112.08  3.000
 0JZ  H29A  C29  C28   110.00  3.000
 0JZ  H29   C29  C28   111.96  3.000
 0JZ  H30B  C30  H30A  107.04  3.000
 0JZ  H30B  C30  H30   107.58  3.000
 0JZ  H30A  C30  H30   108.00  3.000
 0JZ  H30B  C30  C28   109.72  3.000
 0JZ  H30A  C30  C28   112.37  3.000
 0JZ  H30   C30  C28   111.91  3.000
 0JZ  H31   C31  C33   107.90  3.000
 0JZ  H31   C31  C32   107.56  3.000
 0JZ  C33   C31  C32   111.46  3.000
 0JZ  H31   C31  C11   104.48  3.000
 0JZ  C33   C31  C11   113.19  3.000
 0JZ  C32   C31  C11   111.78  3.000
 0JZ  H32B  C32  H32A  107.45  3.000
 0JZ  H32B  C32  H32   108.03  3.000
 0JZ  H32A  C32  H32   107.18  3.000
 0JZ  H32B  C32  C31   111.77  3.000
 0JZ  H32A  C32  C31   109.90  3.000
 0JZ  H32   C32  C31   112.28  3.000
 0JZ  H33B  C33  H33A  107.61  3.000
 0JZ  H33B  C33  H33   108.01  3.000
 0JZ  H33A  C33  H33   107.00  3.000
 0JZ  H33B  C33  C31   112.17  3.000
 0JZ  H33A  C33  C31   109.87  3.000
 0JZ  H33   C33  C31   111.95  3.000
 0JZ  H34   C34  C36   108.30  3.000
 0JZ  H34   C34  C35   107.50  3.000
 0JZ  C36   C34  C35   111.04  3.000
 0JZ  H34   C34  C18   104.26  3.000
 0JZ  C35   C34  C18   112.23  3.000
 0JZ  C36   C34  C18   113.07  3.000
 0JZ  H35B  C35  H35A  107.49  3.000
 0JZ  H35B  C35  H35   108.18  3.000
 0JZ  H35A  C35  H35   107.09  3.000
 0JZ  H35B  C35  C34   111.83  3.000
 0JZ  H35A  C35  C34   109.93  3.000
 0JZ  H35   C35  C34   112.10  3.000
 0JZ  H36B  C36  H36A  107.56  3.000
 0JZ  H36B  C36  H36   108.02  3.000
 0JZ  H36A  C36  H36   106.93  3.000
 0JZ  H36B  C36  C34   111.71  3.000
 0JZ  H36A  C36  C34   109.84  3.000
 0JZ  H36   C36  C34   112.54  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
 0JZ  CONST_01  C08   N24  C05  SE1    0.00   0.0  0
 0JZ  CONST_02  N24   C08  C07  SE1    0.00   0.0  0
 0JZ  CONST_03  N23   C15  C14  SE2    0.00   0.0  0
 0JZ  CONST_04  C15   N23  C12  SE2    0.00   0.0  0
 0JZ  CONST_05  C01   N22  C19  SE3    0.00   0.0  0
 0JZ  CONST_06  N22   C01  C21  SE3    0.00   0.0  0
 0JZ  CONST_07  C19   SE3  C21  C01    0.00   0.0  0
 0JZ  CONST_08  C08   C07  SE1  C05    0.00   0.0  0
 0JZ  CONST_09  C07   C08  N24  C05    0.00   0.0  0
 0JZ  CONST_10  N24   C05  SE1  C07    0.00   0.0  0
 0JZ  CONST_11  C15   C14  SE2  C12    0.00   0.0  0
 0JZ  CONST_12  C14   C15  N23  C12    0.00   0.0  0
 0JZ  CONST_13  N23   C12  SE2  C14    0.00   0.0  0
 0JZ  CONST_14  C21   C01  N22  C19    0.00   0.0  0
 0JZ  CONST_15  N22   C19  SE3  C21    0.00   0.0  0
 0JZ  CONST_16  C04   N03  C02  C01  180.00   0.0  0
 0JZ  CONST_17  C11   N10  C09  C08  180.00   0.0  0
 0JZ  CONST_18  C18   N17  C16  C15  180.00   0.0  0
 0JZ  CONST_19  O25   C02  N03  C04    0.00   0.0  0
 0JZ  CONST_20  O26   C09  N10  C11    0.00   0.0  0
 0JZ  CONST_21  O27   C16  N17  C18    0.00   0.0  0
 0JZ  CONST_22  H21   C21  C01  C02    0.00   0.0  0
 0JZ  CONST_23  H07   C07  SE1  C05  180.00   0.0  0
 0JZ  CONST_24  H14   C14  SE2  C12  180.00   0.0  0
 0JZ  CONST_25  HN03  N03  C02  C01    0.00   0.0  0
 0JZ  CONST_26  HN10  N10  C09  C08    0.00   0.0  0
 0JZ  CONST_27  HN17  N17  C16  C15    0.00   0.0  0
 0JZ  Var_01    N22   C01  C02  N03   -6.21  30.0  1
 0JZ  Var_02    N10   C09  C08  C07  174.55  30.0  1
 0JZ  Var_03    N17   C16  C15  C14  174.82  30.0  1
 0JZ  Var_04    H29   C29  C28  C04   73.83  30.0  3
 0JZ  Var_05    H30   C30  C28  C04  -64.39  30.0  3
 0JZ  Var_06    H32   C32  C31  C11   72.18  30.0  3
 0JZ  Var_07    H33   C33  C31  C11   61.06  30.0  3
 0JZ  Var_08    H36   C36  C34  C18   53.65  30.0  3
 0JZ  Var_09    H35   C35  C34  C18   72.79  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
 0JZ  chir_01  C04  N03  C28  C05  positiv
 0JZ  chir_02  C11  N10  C31  C12  positiv
 0JZ  chir_03  C18  N17  C34  C19  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
 0JZ  plan-1  SE3   0.020
 0JZ  plan-1  C01   0.020
 0JZ  plan-1  C02   0.020
 0JZ  plan-1  C18   0.020
 0JZ  plan-1  C19   0.020
 0JZ  plan-1  C21   0.020
 0JZ  plan-1  N22   0.020
 0JZ  plan-1  H21   0.020
 0JZ  plan-2  SE1   0.020
 0JZ  plan-2  C04   0.020
 0JZ  plan-2  C05   0.020
 0JZ  plan-2  C07   0.020
 0JZ  plan-2  C08   0.020
 0JZ  plan-2  C09   0.020
 0JZ  plan-2  N24   0.020
 0JZ  plan-2  H07   0.020
 0JZ  plan-3  SE2   0.020
 0JZ  plan-3  C11   0.020
 0JZ  plan-3  C12   0.020
 0JZ  plan-3  C14   0.020
 0JZ  plan-3  C15   0.020
 0JZ  plan-3  C16   0.020
 0JZ  plan-3  N23   0.020
 0JZ  plan-3  H14   0.020
 0JZ  plan-4  C01   0.020
 0JZ  plan-4  C02   0.020
 0JZ  plan-4  N03   0.020
 0JZ  plan-4  C04   0.020
 0JZ  plan-4  HN03  0.020
 0JZ  plan-4  O25   0.020
 0JZ  plan-5  C08   0.020
 0JZ  plan-5  C09   0.020
 0JZ  plan-5  N10   0.020
 0JZ  plan-5  C11   0.020
 0JZ  plan-5  O26   0.020
 0JZ  plan-5  HN10  0.020
 0JZ  plan-6  C15   0.020
 0JZ  plan-6  C16   0.020
 0JZ  plan-6  N17   0.020
 0JZ  plan-6  C18   0.020
 0JZ  plan-6  O27   0.020
 0JZ  plan-6  HN17  0.020

