# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Tue Apr 21 06:35:33 2020
#   Inital geometry file: a 160 line input string
#   Ligand name: [(2~{S})-5-[[(2~{R})-1-(2-hydroxy-2-oxoethylamino)-1-oxidanylidene-3-[2-oxidanylidene-2-(4-phenylphenyl)ethyl]sulfanyl-propan-2-yl]amino]-1-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]azanium
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: [NH3+][C@@H](CCC(=O)N[C@@H](CSCC(=O)c1ccc(cc1)c2ccccc2)C(=O)NCC(O)=O)C(O)=O
#
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
 CNZ  CNZ  '[(2~{S})-5-[[(2~{R})-1-(2-hydroxy-2-oxoethylamino)-1-oxidanylidene-3-[2-oxidanylidene-2-(4-phenylphenyl)ethyl]sulfanyl-propan-2-yl]amino]-1-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]azanium'  ligand  61  35  .  2021-08-07  2021-08-07  
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as PERFECT
;

data_comp_CNZ
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
 CNZ  N1    N  NT3    1  -0.800  -6.7458  -3.2507  -2.2088
 CNZ  CA1   C  CH1    0  -0.261  -6.4581  -3.3939  -0.7528
 CNZ  C1    C  C      0   0.473  -7.7330  -3.9996  -0.0986
 CNZ  O11   O  OC    -1  -0.568  -7.7658  -3.9942   1.1354
 CNZ  CB1   C  CH2    0  -0.450  -6.0052  -2.0830  -0.1383
 CNZ  CG1   C  CH2    0  -0.595  -4.6953  -1.5761  -0.7244
 CNZ  CD1   C  C      0   0.583  -4.2017  -0.3151  -0.0489
 CNZ  OE1   O  O      0  -0.490  -4.9273   0.4206   0.6024
 CNZ  O12   O  O      0  -0.594  -8.5725  -4.4584  -0.9001
 CNZ  N2    N  NH1    0  -0.638  -2.8944  -0.0505  -0.2234
 CNZ  CA2   C  CH1    0  -0.192  -2.3116   1.1746   0.2522
 CNZ  C2    C  C      0   0.553  -2.9320   2.3889  -0.4534
 CNZ  O2    O  O      0  -0.499  -3.2957   2.3295  -1.6190
 CNZ  CB2   C  CH2    0  -0.578  -0.8116   1.1811  -0.0209
 CNZ  SG2   S  S2     0   0.019  -0.0227  -0.2188   0.8278
 CNZ  CZ4   C  CR16   0  -0.307   9.1701  -1.0971   0.6220
 CNZ  CE4   C  CR16   0  -0.239  10.5266  -1.0527   0.3371
 CNZ  CD4   C  CR16   0  -0.262  10.9641  -0.6487  -0.9176
 CNZ  CG4   C  CR16   0  -0.240  10.0348  -0.2870  -1.8844
 CNZ  CB4   C  CR16   0  -0.306   8.6784  -0.3274  -1.5983
 CNZ  CH4   C  CR6    0   0.089   8.2269  -0.7341  -0.3412
 CNZ  CH5   C  CR6    0   0.091   6.7842  -0.7787  -0.0375
 CNZ  CB5   C  CR16   0  -0.297   6.2514  -1.7862   0.7719
 CNZ  CG5   C  CR16   0  -0.242   4.9002  -1.8290   1.0550
 CNZ  CD5   C  CR6    0  -0.017   4.0338  -0.8641   0.5383
 CNZ  CE5   C  CR16   0  -0.274   4.5606   0.1430  -0.2697
 CNZ  CZ5   C  CR16   0  -0.290   5.9147   0.1842  -0.5518
 CNZ  O5    O  O      0  -0.383   2.1469  -1.8264   1.5694
 CNZ  N3    N  NH1    0  -0.627  -2.9748   3.4909   0.2909
 CNZ  CA3   C  CH2    0  -0.411  -3.4302   4.7729  -0.1817
 CNZ  C3    C  C      0   0.400  -3.3272   5.8360   0.9312
 CNZ  C13   C  CH2    0  -0.700   1.6729   0.1102   0.2983
 CNZ  O31   O  O      0  -0.599  -2.9020   5.4570   2.0394
 CNZ  C14   C  C      0   0.389   2.5894  -0.9447   0.8654
 CNZ  O32   O  OC    -1  -0.608  -3.6856   6.9802   0.6051
 CNZ  H12N  H  HNT3   0   0.465  -5.9681  -3.5009  -2.8151
 CNZ  H11N  H  HNT3   0   0.455  -7.5450  -3.8824  -2.3843
 CNZ  H1    H  HNT3   0   0.458  -7.0496  -2.3109  -2.4609
 CNZ  HA1   H  HCH1   0   0.305  -5.6612  -4.1380  -0.6753
 CNZ  HB11  H  HCH2   0   0.254  -6.7928  -1.3337  -0.2521
 CNZ  HB12  H  HCH2   0   0.269  -5.8898  -2.2567   0.9307
 CNZ  HG12  H  HCH2   0   0.272  -3.9270  -2.3521  -0.6630
 CNZ  HG11  H  HCH2   0   0.277  -4.8005  -1.3429  -1.7899
 CNZ  H2    H  HNH1   0   0.405  -2.3475  -0.6448  -0.8268
 CNZ  HA2   H  HCH1   0   0.281  -2.4739   1.2621   1.3313
 CNZ  HB22  H  HCH2   0   0.283  -0.6214   1.1169  -1.0951
 CNZ  HB21  H  HCH2   0   0.297  -0.3845   2.1162   0.3434
 CNZ  HD4   H  HCR6   0   0.260  12.0225  -0.6154  -1.1407
 CNZ  HG4   H  HCR6   0   0.261  10.3656   0.0239  -2.8666
 CNZ  HB4   H  HCR6   0   0.258   7.9647  -0.0602  -2.3678
 CNZ  HB5   H  HCR6   0   0.263   6.8955  -2.5596   1.1700
 CNZ  HG5   H  HCR6   0   0.266   4.5130  -2.6255   1.6762
 CNZ  HE5   H  HCR6   0   0.268   3.9266   0.9141  -0.6870
 CNZ  HZ5   H  HCR6   0   0.265   6.2997   0.9893  -1.1642
 CNZ  H3    H  HNH1   0   0.388  -2.6906   3.4756   1.2609
 CNZ  HA31  H  HCH2   0   0.243  -2.8409   5.0999  -1.0437
 CNZ  HA32  H  HCH2   0   0.243  -4.4687   4.7144  -0.5222
 CNZ  H132  H  HCH2   0   0.308   1.7347   0.1095  -0.7934
 CNZ  H131  H  HCH2   0   0.308   1.9936   1.0997   0.6360
 CNZ  HZ4   H  HCR6   0   0.259   8.8454  -1.3971   1.6104
 CNZ  HE4   H  HCR6   0   0.260  11.2433  -1.3284   1.0998

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
 CNZ  O12  C1    deloc     1.248  0.020  1.248
 CNZ  N1   CA1   single    1.491  0.020  1.491
 CNZ  C1   O11   deloc     1.234  0.020  1.234
 CNZ  C1   CA1   single    1.556  0.020  1.556
 CNZ  CA1  CB1   single    1.517  0.020  1.517
 CNZ  CB1  CG1   single    1.522  0.020  1.522
 CNZ  CG1  CD1   single    1.513  0.020  1.513
 CNZ  CD1  OE1   double    1.221  0.020  1.221
 CNZ  CD1  N2    single    1.345  0.020  1.345
 CNZ  N2   CA2   single    1.438  0.020  1.438
 CNZ  CA2  C2    single    1.535  0.020  1.535
 CNZ  CA2  CB2   single    1.525  0.020  1.525
 CNZ  O31  C3    deloc     1.246  0.020  1.246
 CNZ  O2   C2    double    1.222  0.020  1.222
 CNZ  C2   N3    single    1.331  0.020  1.331
 CNZ  CB2  SG2   single    1.817  0.020  1.817
 CNZ  C3   CA3   single    1.543  0.020  1.543
 CNZ  C3   O32   deloc     1.242  0.020  1.242
 CNZ  N3   CA3   single    1.440  0.020  1.440
 CNZ  CB5  CG5   aromatic  1.381  0.020  1.381
 CNZ  CB5  CH5   aromatic  1.398  0.020  1.398
 CNZ  CG5  CD5   aromatic  1.396  0.020  1.396
 CNZ  C13  SG2   single    1.807  0.020  1.807
 CNZ  C13  C14   single    1.508  0.020  1.508
 CNZ  CZ4  CE4   aromatic  1.387  0.020  1.387
 CNZ  CZ4  CH4   aromatic  1.396  0.020  1.396
 CNZ  CE4  CD4   aromatic  1.389  0.020  1.389
 CNZ  CH4  CH5   single    1.475  0.020  1.475
 CNZ  CH4  CB4   aromatic  1.396  0.020  1.396
 CNZ  CH5  CZ5   aromatic  1.396  0.020  1.396
 CNZ  CD4  CG4   aromatic  1.389  0.020  1.389
 CNZ  CB4  CG4   aromatic  1.387  0.020  1.387
 CNZ  CD5  C14   single    1.483  0.020  1.483
 CNZ  CD5  CE5   aromatic  1.394  0.020  1.394
 CNZ  C14  O5    double    1.212  0.020  1.212
 CNZ  CZ5  CE5   aromatic  1.384  0.020  1.384
 CNZ  N1   H12N  single    0.890  0.020  1.040
 CNZ  N1   H11N  single    0.890  0.020  1.040
 CNZ  N1   H1    single    0.890  0.020  1.040
 CNZ  CA1  HA1   single    0.970  0.020  1.090
 CNZ  CB1  HB11  single    0.970  0.020  1.090
 CNZ  CB1  HB12  single    0.970  0.020  1.090
 CNZ  CG1  HG12  single    0.970  0.020  1.090
 CNZ  CG1  HG11  single    0.970  0.020  1.090
 CNZ  N2   H2    single    0.860  0.020  1.020
 CNZ  CA2  HA2   single    0.970  0.020  1.090
 CNZ  CB2  HB22  single    0.970  0.020  1.090
 CNZ  CB2  HB21  single    0.970  0.020  1.090
 CNZ  CZ4  HZ4   single    0.930  0.020  1.080
 CNZ  CE4  HE4   single    0.930  0.020  1.080
 CNZ  CD4  HD4   single    0.930  0.020  1.080
 CNZ  CG4  HG4   single    0.930  0.020  1.080
 CNZ  CB4  HB4   single    0.930  0.020  1.080
 CNZ  CB5  HB5   single    0.930  0.020  1.080
 CNZ  CG5  HG5   single    0.930  0.020  1.080
 CNZ  CE5  HE5   single    0.930  0.020  1.080
 CNZ  CZ5  HZ5   single    0.930  0.020  1.080
 CNZ  N3   H3    single    0.860  0.020  1.020
 CNZ  CA3  HA31  single    0.970  0.020  1.090
 CNZ  CA3  HA32  single    0.970  0.020  1.090
 CNZ  C13  H132  single    0.970  0.020  1.090
 CNZ  C13  H131  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
 CNZ  H1    N1   H11N  106.92  3.000
 CNZ  H1    N1   H12N  107.89  3.000
 CNZ  H11N  N1   H12N  109.85  3.000
 CNZ  H1    N1   CA1   112.81  3.000
 CNZ  H11N  N1   CA1   104.85  3.000
 CNZ  H12N  N1   CA1   114.26  3.000
 CNZ  HA1   CA1  CB1   109.98  3.000
 CNZ  HA1   CA1  C1    107.62  3.000
 CNZ  CB1   CA1  C1    114.25  3.000
 CNZ  HA1   CA1  N1    105.98  3.000
 CNZ  CB1   CA1  N1    111.73  3.000
 CNZ  C1    CA1  N1    106.86  3.000
 CNZ  O12   C1   O11   128.73  3.000
 CNZ  O11   C1   CA1   116.14  3.000
 CNZ  O12   C1   CA1   115.10  3.000
 CNZ  HB12  CB1  HB11  106.73  3.000
 CNZ  HB12  CB1  CG1   109.87  3.000
 CNZ  HB11  CB1  CG1   110.59  3.000
 CNZ  HB12  CB1  CA1   106.95  3.000
 CNZ  HB11  CB1  CA1   109.57  3.000
 CNZ  CG1   CB1  CA1   112.88  3.000
 CNZ  HG11  CG1  HG12  105.85  3.000
 CNZ  HG11  CG1  CD1   106.74  3.000
 CNZ  HG12  CG1  CD1   109.69  3.000
 CNZ  HG11  CG1  CB1   111.27  3.000
 CNZ  HG12  CG1  CB1   110.29  3.000
 CNZ  CD1   CG1  CB1   112.72  3.000
 CNZ  N2    CD1  OE1   121.86  3.000
 CNZ  N2    CD1  CG1   115.02  3.000
 CNZ  OE1   CD1  CG1   123.11  3.000
 CNZ  H2    N2   CA2   118.72  3.000
 CNZ  H2    N2   CD1   119.26  3.000
 CNZ  CA2   N2   CD1   121.25  3.000
 CNZ  HA2   CA2  CB2   108.79  3.000
 CNZ  HA2   CA2  C2    109.26  3.000
 CNZ  CB2   CA2  C2    108.17  3.000
 CNZ  HA2   CA2  N2    109.52  3.000
 CNZ  CB2   CA2  N2    110.08  3.000
 CNZ  C2    CA2  N2    110.99  3.000
 CNZ  N3    C2   O2    124.34  3.000
 CNZ  N3    C2   CA2   114.27  3.000
 CNZ  O2    C2   CA2   121.33  3.000
 CNZ  HB21  CB2  HB22  108.09  3.000
 CNZ  HB21  CB2  SG2   109.54  3.000
 CNZ  HB22  CB2  SG2   109.78  3.000
 CNZ  HB21  CB2  CA2   109.21  3.000
 CNZ  HB22  CB2  CA2   110.30  3.000
 CNZ  SG2   CB2  CA2   109.89  3.000
 CNZ  C13   SG2  CB2    97.49  3.000
 CNZ  HZ4   CZ4  CH4   119.95  3.000
 CNZ  HZ4   CZ4  CE4   119.33  3.000
 CNZ  CH4   CZ4  CE4   120.71  3.000
 CNZ  HE4   CE4  CD4   120.14  3.000
 CNZ  HE4   CE4  CZ4   119.65  3.000
 CNZ  CD4   CE4  CZ4   120.20  3.000
 CNZ  HD4   CD4  CG4   120.19  3.000
 CNZ  HD4   CD4  CE4   120.22  3.000
 CNZ  CG4   CD4  CE4   119.59  3.000
 CNZ  HG4   CG4  CB4   119.65  3.000
 CNZ  HG4   CG4  CD4   120.14  3.000
 CNZ  CB4   CG4  CD4   120.22  3.000
 CNZ  HB4   CB4  CH4   119.89  3.000
 CNZ  HB4   CB4  CG4   119.40  3.000
 CNZ  CH4   CB4  CG4   120.70  3.000
 CNZ  CH5   CH4  CB4   120.70  3.000
 CNZ  CB4   CH4  CZ4   118.58  3.000
 CNZ  CH5   CH4  CZ4   120.72  3.000
 CNZ  CZ5   CH5  CB5   118.24  3.000
 CNZ  CZ5   CH5  CH4   120.84  3.000
 CNZ  CB5   CH5  CH4   120.92  3.000
 CNZ  HB5   CB5  CG5   118.99  3.000
 CNZ  HB5   CB5  CH5   120.07  3.000
 CNZ  CG5   CB5  CH5   120.93  3.000
 CNZ  HG5   CG5  CD5   119.96  3.000
 CNZ  HG5   CG5  CB5   119.39  3.000
 CNZ  CD5   CG5  CB5   120.65  3.000
 CNZ  C14   CD5  CE5   122.34  3.000
 CNZ  CE5   CD5  CG5   118.64  3.000
 CNZ  C14   CD5  CG5   119.03  3.000
 CNZ  HE5   CE5  CZ5   118.26  3.000
 CNZ  HE5   CE5  CD5   121.12  3.000
 CNZ  CZ5   CE5  CD5   120.62  3.000
 CNZ  HZ5   CZ5  CE5   119.05  3.000
 CNZ  HZ5   CZ5  CH5   120.00  3.000
 CNZ  CE5   CZ5  CH5   120.93  3.000
 CNZ  H3    N3   CA3   114.66  3.000
 CNZ  H3    N3   C2    121.01  3.000
 CNZ  CA3   N3   C2    124.32  3.000
 CNZ  HA32  CA3  HA31  106.38  3.000
 CNZ  HA32  CA3  C3    108.95  3.000
 CNZ  HA31  CA3  C3    109.05  3.000
 CNZ  HA32  CA3  N3    110.77  3.000
 CNZ  HA31  CA3  N3    110.74  3.000
 CNZ  C3    CA3  N3    110.83  3.000
 CNZ  O32   C3   O31   127.73  3.000
 CNZ  O32   C3   CA3   115.21  3.000
 CNZ  O31   C3   CA3   117.05  3.000
 CNZ  H131  C13  H132  107.00  3.000
 CNZ  H131  C13  C14   109.79  3.000
 CNZ  H132  C13  C14   109.92  3.000
 CNZ  H131  C13  SG2   110.46  3.000
 CNZ  H132  C13  SG2   110.21  3.000
 CNZ  C14   C13  SG2   109.44  3.000
 CNZ  C13   C14  O5    120.36  3.000
 CNZ  O5    C14  CD5   121.55  3.000
 CNZ  C13   C14  CD5   118.09  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
 CNZ  CONST_01  CG4   CD4  CE4  CZ4     0.00   0.0  0
 CNZ  CONST_04  CG4   CB4  CH4  CZ4     0.00   0.0  0
 CNZ  CONST_05  CH5   CH4  CZ4  CE4   180.00   0.0  0
 CNZ  CONST_06  CB4   CH4  CZ4  CE4     0.00   0.0  0
 CNZ  CONST_07  CB4   CG4  CD4  CE4     0.00   0.0  0
 CNZ  CONST_08  CH4   CZ4  CE4  CD4     0.00   0.0  0
 CNZ  CONST_09  CH4   CB4  CG4  CD4     0.00   0.0  0
 CNZ  CONST_10  CH5   CH4  CB4  CG4   180.00   0.0  0
 CNZ  CONST_13  CG5   CB5  CH5  CH4   180.00   0.0  0
 CNZ  CONST_14  CE5   CZ5  CH5  CH4   180.00   0.0  0
 CNZ  CONST_15  CD5   CG5  CB5  CH5     0.00   0.0  0
 CNZ  CONST_16  CD5   CE5  CZ5  CH5     0.00   0.0  0
 CNZ  CONST_17  CE5   CD5  CG5  CB5     0.00   0.0  0
 CNZ  CONST_18  CE5   CZ5  CH5  CB5     0.00   0.0  0
 CNZ  CONST_19  CZ5   CH5  CB5  CG5     0.00   0.0  0
 CNZ  CONST_20  CZ5   CE5  CD5  CG5     0.00   0.0  0
 CNZ  CONST_21  C14   CD5  CG5  CB5   180.00   0.0  0
 CNZ  CONST_22  C14   CD5  CE5  CZ5   180.00   0.0  0
 CNZ  CONST_23  HD4   CD4  CE4  CZ4   180.00   0.0  0
 CNZ  CONST_24  HB4   CB4  CH4  CZ4   180.00   0.0  0
 CNZ  CONST_25  HG4   CG4  CD4  CE4   180.00   0.0  0
 CNZ  CONST_26  HZ4   CZ4  CE4  CD4   180.00   0.0  0
 CNZ  CONST_27  HE4   CE4  CD4  CG4   180.00   0.0  0
 CNZ  CONST_28  HB5   CB5  CH5  CH4     0.00   0.0  0
 CNZ  CONST_29  HZ5   CZ5  CH5  CH4     0.00   0.0  0
 CNZ  CONST_30  HG5   CG5  CB5  CH5   180.00   0.0  0
 CNZ  CONST_31  HE5   CE5  CZ5  CH5   180.00   0.0  0
 CNZ  CONST_32  CA2   N2   CD1  CG1   180.00   0.0  0
 CNZ  CONST_33  CA2   N2   CD1  OE1     0.00   0.0  0
 CNZ  CONST_34  CA3   N3   C2   CA2   180.00   0.0  0
 CNZ  CONST_35  CA3   N3   C2   O2      0.00   0.0  0
 CNZ  CONST_36  H2    N2   CD1  CG1     0.00   0.0  0
 CNZ  CONST_37  H3    N3   C2   CA2     0.00   0.0  0
 CNZ  Var_01    C13   C14  CD5  CG5   179.87  30.0  2
 CNZ  Var_02    CD5   C14  C13  SG2   179.49  30.0  3
 CNZ  Var_03    CD1   CG1  CB1  CA1  -176.37  30.0  3
 CNZ  Var_04    OE1   CD1  CG1  CB1   -19.79  30.0  3
 CNZ  Var_05    C3    CA3  N3   C2   -179.09  30.0  3
 CNZ  Var_06    C14   C13  SG2  CB2  -179.48  30.0  1
 CNZ  Var_07    O31   C3   CA3  N3     -0.91  30.0  2
 CNZ  Var_08    HB22  CB2  SG2  C13    58.70  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
 CNZ  chir_01  CA1  N1  C1  CB1  positiv
 CNZ  chir_02  CA2  N2  C2  CB2  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
 CNZ  plan-1  CZ4  0.020
 CNZ  plan-1  CE4  0.020
 CNZ  plan-1  CD4  0.020
 CNZ  plan-1  CG4  0.020
 CNZ  plan-1  CB4  0.020
 CNZ  plan-1  CH4  0.020
 CNZ  plan-1  CH5  0.020
 CNZ  plan-1  HD4  0.020
 CNZ  plan-1  HG4  0.020
 CNZ  plan-1  HB4  0.020
 CNZ  plan-1  HZ4  0.020
 CNZ  plan-1  HE4  0.020
 CNZ  plan-2  CH4  0.020
 CNZ  plan-2  CH5  0.020
 CNZ  plan-2  CB5  0.020
 CNZ  plan-2  CG5  0.020
 CNZ  plan-2  CD5  0.020
 CNZ  plan-2  CE5  0.020
 CNZ  plan-2  CZ5  0.020
 CNZ  plan-2  C14  0.020
 CNZ  plan-2  HB5  0.020
 CNZ  plan-2  HG5  0.020
 CNZ  plan-2  HE5  0.020
 CNZ  plan-2  HZ5  0.020
 CNZ  plan-3  CG1  0.020
 CNZ  plan-3  CD1  0.020
 CNZ  plan-3  OE1  0.020
 CNZ  plan-3  N2   0.020
 CNZ  plan-3  CA2  0.020
 CNZ  plan-3  H2   0.020
 CNZ  plan-4  CA2  0.020
 CNZ  plan-4  C2   0.020
 CNZ  plan-4  O2   0.020
 CNZ  plan-4  N3   0.020
 CNZ  plan-4  CA3  0.020
 CNZ  plan-4  H3   0.020
 CNZ  plan-5  CD5  0.020
 CNZ  plan-5  O5   0.020
 CNZ  plan-5  C13  0.020
 CNZ  plan-5  C14  0.020
 CNZ  plan-6  CA1  0.020
 CNZ  plan-6  C1   0.020
 CNZ  plan-6  O11  0.020
 CNZ  plan-6  O12  0.020
 CNZ  plan-7  CA3  0.020
 CNZ  plan-7  C3   0.020
 CNZ  plan-7  O31  0.020
 CNZ  plan-7  O32  0.020

