# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Thu Jul 22 13:07:32 2021
#   Inital geometry file: a 152 line input string
#   Ligand name: 5-[[2-[(3~{S},5~{R})-4,4-bis(fluoranyl)-3,5-dimethyl-piperidin-1-yl]-5-chloranyl-pyrimidin-4-yl]amino]-1-methyl-3-(3-methyl-3-oxidanyl-butyl)benzimidazol-2-one
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: C[C@@H]1CN(C[C@H](C)C1(F)F)c2ncc(Cl)c(Nc3ccc4N(C)C(=O)N(CCC(C)(C)O)c4c3)n2
#
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
 NQZ  NQZ  5-[[2-[(3~{S},5~{R})-4,4-bis(fluoranyl)-3,5-dimethyl-piperidin-1-yl]-5-chloranyl-pyrimidin-4-yl]amino]-1-methyl-3-(3-methyl-3-oxidanyl-butyl)benzimidazol-2-one  ligand  66  35  .  2022-07-22  2022-07-22
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as OK (reasonable std)
;

data_comp_NQZ
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
 NQZ  CL   CL  CL    0  -0.123  -28.2595  11.6802  13.4192
 NQZ  C22  C   CR6   0  -0.252  -27.0909  10.5080  12.9214
 NQZ  C23  C   CR16  0   0.012  -27.0608  10.0289  11.6345
 NQZ  N5   N   N     0  -0.492  -26.1862   9.1246  11.2139
 NQZ  C7   C   CR6   0   0.637  -25.3052   8.6998  12.1226
 NQZ  N    N   NT    0  -0.489  -24.3598   7.8029  11.7246
 NQZ  C2   C   CH2   0  -0.321  -23.5397   7.1262  12.7082
 NQZ  C3   C   CH2   0  -0.317  -24.5434   7.0250  10.5161
 NQZ  C4   C   CH1   0  -0.379  -25.2323   5.6902  10.8236
 NQZ  C5   C   CH3   0  -0.673  -25.4090   4.8571   9.5598
 NQZ  C6   C   CT    0   0.814  -24.4655   4.9623  11.9173
 NQZ  F    F   F     0  -0.360  -23.2720   4.5092  11.4084
 NQZ  F1   F   F     0  -0.355  -25.1459   3.8281  12.2780
 NQZ  C1   C   CH1   0  -0.384  -24.1894   5.8103  13.1491
 NQZ  C    C   CH3   0  -0.676  -23.3447   5.0960  14.1966
 NQZ  C8   C   CR6   0   0.619  -26.1341   9.9894  13.8196
 NQZ  N1   N   N     0  -0.514  -25.2568   9.1000  13.3911
 NQZ  N2   N   NH1   0  -0.770  -26.1021  10.3829  15.1114
 NQZ  C9   C   CR6   0   0.337  -25.1904   9.9577  16.0948
 NQZ  C14  C   CR16  0  -0.299  -24.8539   8.6133  16.2561
 NQZ  C13  C   CR16  0  -0.327  -23.9621   8.2100  17.2456
 NQZ  C12  C   CR56  0   0.331  -23.4362   9.1757  18.0794
 NQZ  N3   N   NR5   0  -0.587  -22.5475   9.1042  19.1298
 NQZ  C15  C   CH3   0  -0.535  -21.9429   7.8956  19.6265
 NQZ  C16  C   CR5   0   0.669  -22.3459  10.3573  19.6563
 NQZ  O    O   O     0  -0.504  -21.6220  10.6545  20.5899
 NQZ  N4   N   NR5   0  -0.594  -23.1308  11.2172  18.9196
 NQZ  C11  C   CR56  0   0.351  -23.7974  10.5176  17.9387
 NQZ  C10  C   CR16  0  -0.399  -24.6628  10.9320  16.9470
 NQZ  C17  C   CH2   0  -0.334  -23.1862  12.6463  19.1223
 NQZ  C18  C   CH2   0  -0.437  -22.3049  13.4030  18.1330
 NQZ  C19  C   CT    0   0.195  -22.3797  14.9337  18.2531
 NQZ  O1   O   OH1   0  -0.679  -21.9963  15.3483  19.5593
 NQZ  C21  C   CH3   0  -0.656  -21.3641  15.5508  17.2997
 NQZ  C20  C   CH3   0  -0.689  -23.7787  15.4510  17.9205
 NQZ  H1   H   HCR6  0   0.284  -27.7806  10.3905  10.9076
 NQZ  H2   H   HCH2  0   0.257  -22.5579   6.9358  12.2657
 NQZ  H3   H   HCH2  0   0.282  -23.3862   7.7691  13.5701
 NQZ  H4   H   HCH2  0   0.254  -23.5631   6.8505  10.0637
 NQZ  H5   H   HCH2  0   0.279  -25.1358   7.5865   9.7995
 NQZ  H6   H   HCH1  0   0.263  -26.2214   5.9205  11.2352
 NQZ  H7   H   HCH3  0   0.244  -25.9253   3.9191   9.7598
 NQZ  H8   H   HCH3  0   0.243  -26.0079   5.4107   8.8366
 NQZ  H9   H   HCH3  0   0.232  -24.4539   4.6257   9.0879
 NQZ  H10  H   HCH1  0   0.265  -25.1623   6.0564  13.5902
 NQZ  H11  H   HCH3  0   0.240  -23.2388   5.7309  15.0769
 NQZ  H12  H   HCH3  0   0.246  -23.8039   4.1639  14.5221
 NQZ  H13  H   HCH3  0   0.235  -22.3422   4.8743  13.8305
 NQZ  H14  H   HNH1  0   0.406  -26.6933  11.1604  15.3622
 NQZ  H15  H   HCR6  0   0.270  -25.2901   7.8685  15.6086
 NQZ  H16  H   HCR6  0   0.274  -23.7066   7.1641  17.3546
 NQZ  H17  H   HCH3  0   0.268  -21.1890   8.1506  20.3653
 NQZ  H18  H   HCH3  0   0.255  -22.6857   7.2495  20.0944
 NQZ  H19  H   HCH3  0   0.256  -21.4614   7.3513  18.8154
 NQZ  H20  H   HCR6  0   0.276  -24.9255  11.9746  16.8181
 NQZ  H21  H   HCH2  0   0.266  -22.8741  12.8403  20.1479
 NQZ  H22  H   HCH2  0   0.263  -24.2316  12.9512  19.0452
 NQZ  H23  H   HCH2  0   0.233  -22.5771  13.1192  17.1122
 NQZ  H24  H   HCH2  0   0.244  -21.2679  13.0854  18.2792
 NQZ  H25  H   HOH1  0   0.446  -22.7183  15.1711  20.1707
 NQZ  H26  H   HCH3  0   0.233  -20.3503  15.2239  17.5375
 NQZ  H27  H   HCH3  0   0.227  -21.5770  15.2576  16.2714
 NQZ  H28  H   HCH3  0   0.233  -21.3941  16.6405  17.3506
 NQZ  H29  H   HCH3  0   0.232  -24.5323  15.0874  18.6231
 NQZ  H30  H   HCH3  0   0.241  -23.8012  16.5414  17.9534
 NQZ  H31  H   HCH3  0   0.231  -24.0859  15.1403  16.9209

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
 NQZ  C5   C4   single    1.524  0.020  1.524
 NQZ  C3   C4   single    1.533  0.020  1.533
 NQZ  C3   N    single    1.449  0.020  1.449
 NQZ  C4   C6   single    1.521  0.020  1.521
 NQZ  N5   C23  aromatic  1.326  0.020  1.326
 NQZ  N5   C7   aromatic  1.335  0.020  1.335
 NQZ  F    C6   single    1.374  0.020  1.374
 NQZ  C23  C22  aromatic  1.374  0.020  1.374
 NQZ  C6   F1   single    1.371  0.020  1.371
 NQZ  C6   C1   single    1.521  0.020  1.521
 NQZ  N    C7   single    1.363  0.020  1.363
 NQZ  N    C2   single    1.448  0.020  1.448
 NQZ  C7   N1   aromatic  1.331  0.020  1.331
 NQZ  C2   C1   single    1.532  0.020  1.532
 NQZ  C22  CL   single    1.728  0.020  1.728
 NQZ  C22  C8   aromatic  1.411  0.020  1.411
 NQZ  C1   C    single    1.523  0.020  1.523
 NQZ  N1   C8   aromatic  1.321  0.020  1.321
 NQZ  C8   N2   single    1.351  0.020  1.351
 NQZ  N2   C9   single    1.407  0.020  1.407
 NQZ  C9   C14  aromatic  1.395  0.020  1.395
 NQZ  C9   C10  aromatic  1.398  0.020  1.398
 NQZ  C14  C13  aromatic  1.392  0.020  1.392
 NQZ  C21  C19  single    1.523  0.020  1.523
 NQZ  C10  C11  aromatic  1.380  0.020  1.380
 NQZ  C20  C19  single    1.528  0.020  1.528
 NQZ  C13  C12  aromatic  1.380  0.020  1.380
 NQZ  C19  C18  single    1.537  0.020  1.537
 NQZ  C19  O1   single    1.423  0.020  1.423
 NQZ  C18  C17  single    1.526  0.020  1.526
 NQZ  C11  C12  aromatic  1.397  0.020  1.397
 NQZ  C11  N4   single    1.377  0.020  1.377
 NQZ  C12  N3   single    1.378  0.020  1.378
 NQZ  N4   C17  single    1.445  0.020  1.445
 NQZ  N4   C16  single    1.378  0.020  1.378
 NQZ  N3   C16  single    1.374  0.020  1.374
 NQZ  N3   C15  single    1.440  0.020  1.440
 NQZ  C16  O    double    1.218  0.020  1.218
 NQZ  C23  H1   single    0.930  0.020  1.080
 NQZ  C2   H2   single    0.970  0.020  1.090
 NQZ  C2   H3   single    0.970  0.020  1.090
 NQZ  C3   H4   single    0.970  0.020  1.090
 NQZ  C3   H5   single    0.970  0.020  1.090
 NQZ  C4   H6   single    0.970  0.020  1.090
 NQZ  C5   H7   single    0.970  0.020  1.090
 NQZ  C5   H8   single    0.970  0.020  1.090
 NQZ  C5   H9   single    0.970  0.020  1.090
 NQZ  C1   H10  single    0.970  0.020  1.090
 NQZ  C    H11  single    0.970  0.020  1.090
 NQZ  C    H12  single    0.970  0.020  1.090
 NQZ  C    H13  single    0.970  0.020  1.090
 NQZ  N2   H14  single    0.860  0.020  1.020
 NQZ  C14  H15  single    0.930  0.020  1.080
 NQZ  C13  H16  single    0.930  0.020  1.080
 NQZ  C15  H17  single    0.970  0.020  1.090
 NQZ  C15  H18  single    0.970  0.020  1.090
 NQZ  C15  H19  single    0.970  0.020  1.090
 NQZ  C10  H20  single    0.930  0.020  1.080
 NQZ  C17  H21  single    0.970  0.020  1.090
 NQZ  C17  H22  single    0.970  0.020  1.090
 NQZ  C18  H23  single    0.970  0.020  1.090
 NQZ  C18  H24  single    0.970  0.020  1.090
 NQZ  O1   H25  single    0.850  0.020  0.980
 NQZ  C21  H26  single    0.970  0.020  1.090
 NQZ  C21  H27  single    0.970  0.020  1.090
 NQZ  C21  H28  single    0.970  0.020  1.090
 NQZ  C20  H29  single    0.970  0.020  1.090
 NQZ  C20  H30  single    0.970  0.020  1.090
 NQZ  C20  H31  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
 NQZ  C8   C22  C23  116.96  3.000
 NQZ  C8   C22  CL   121.63  3.000
 NQZ  C23  C22  CL   121.41  3.000
 NQZ  H1   C23  N5   116.88  3.000
 NQZ  H1   C23  C22  119.79  3.000
 NQZ  N5   C23  C22  123.32  3.000
 NQZ  C7   N5   C23  115.86  3.000
 NQZ  N1   C7   N    116.81  3.000
 NQZ  N1   C7   N5   125.24  3.000
 NQZ  N    C7   N5   117.94  3.000
 NQZ  C3   N    C2   112.79  3.000
 NQZ  C2   N    C7   120.13  3.000
 NQZ  C3   N    C7   120.60  3.000
 NQZ  H3   C2   H2   107.29  3.000
 NQZ  H3   C2   C1   109.87  3.000
 NQZ  H2   C2   C1   110.33  3.000
 NQZ  H3   C2   N    110.02  3.000
 NQZ  H2   C2   N    108.35  3.000
 NQZ  C1   C2   N    110.89  3.000
 NQZ  H5   C3   H4   107.36  3.000
 NQZ  H5   C3   C4   109.71  3.000
 NQZ  H4   C3   C4   110.29  3.000
 NQZ  H5   C3   N    109.99  3.000
 NQZ  H4   C3   N    108.49  3.000
 NQZ  C4   C3   N    110.92  3.000
 NQZ  H6   C4   C6   106.59  3.000
 NQZ  H6   C4   C5   108.77  3.000
 NQZ  C6   C4   C5   113.15  3.000
 NQZ  H6   C4   C3   107.34  3.000
 NQZ  C6   C4   C3   109.53  3.000
 NQZ  C5   C4   C3   111.20  3.000
 NQZ  H9   C5   H8   107.58  3.000
 NQZ  H9   C5   H7   108.18  3.000
 NQZ  H8   C5   H7   107.38  3.000
 NQZ  H9   C5   C4   111.93  3.000
 NQZ  H8   C5   C4   109.65  3.000
 NQZ  H7   C5   C4   111.92  3.000
 NQZ  C1   C6   F1   109.77  3.000
 NQZ  C1   C6   F    109.03  3.000
 NQZ  F1   C6   F    104.81  3.000
 NQZ  C1   C6   C4   114.02  3.000
 NQZ  F1   C6   C4   109.56  3.000
 NQZ  F    C6   C4   109.23  3.000
 NQZ  H10  C1   C    108.70  3.000
 NQZ  H10  C1   C6   106.86  3.000
 NQZ  C    C1   C6   113.34  3.000
 NQZ  H10  C1   C2   107.41  3.000
 NQZ  C    C1   C2   111.43  3.000
 NQZ  C6   C1   C2   108.83  3.000
 NQZ  H13  C    H12  108.31  3.000
 NQZ  H13  C    H11  107.48  3.000
 NQZ  H12  C    H11  107.33  3.000
 NQZ  H13  C    C1   111.99  3.000
 NQZ  H12  C    C1   111.90  3.000
 NQZ  H11  C    C1   109.63  3.000
 NQZ  N2   C8   N1   119.39  3.000
 NQZ  N2   C8   C22  121.18  3.000
 NQZ  N1   C8   C22  119.43  3.000
 NQZ  C8   N1   C7   119.18  3.000
 NQZ  H14  N2   C9   116.05  3.000
 NQZ  H14  N2   C8   116.65  3.000
 NQZ  C9   N2   C8   126.57  3.000
 NQZ  C10  C9   C14  120.67  3.000
 NQZ  C10  C9   N2   117.39  3.000
 NQZ  C14  C9   N2   121.90  3.000
 NQZ  H15  C14  C13  119.06  3.000
 NQZ  H15  C14  C9   119.88  3.000
 NQZ  C13  C14  C9   121.06  3.000
 NQZ  H16  C13  C12  121.70  3.000
 NQZ  H16  C13  C14  120.20  3.000
 NQZ  C12  C13  C14  118.10  3.000
 NQZ  C11  C12  N3   107.06  3.000
 NQZ  N3   C12  C13  132.08  3.000
 NQZ  C11  C12  C13  120.86  3.000
 NQZ  C16  N3   C15  124.87  3.000
 NQZ  C15  N3   C12  125.27  3.000
 NQZ  C16  N3   C12  109.84  3.000
 NQZ  H19  C15  H18  108.94  3.000
 NQZ  H19  C15  H17  108.49  3.000
 NQZ  H18  C15  H17  108.68  3.000
 NQZ  H19  C15  N3   110.38  3.000
 NQZ  H18  C15  N3   111.07  3.000
 NQZ  H17  C15  N3   109.22  3.000
 NQZ  N4   C16  O    126.59  3.000
 NQZ  O    C16  N3   127.11  3.000
 NQZ  N4   C16  N3   106.30  3.000
 NQZ  C17  N4   C11  125.74  3.000
 NQZ  C17  N4   C16  124.35  3.000
 NQZ  C11  N4   C16  109.85  3.000
 NQZ  C10  C11  N4   131.53  3.000
 NQZ  N4   C11  C12  106.93  3.000
 NQZ  C10  C11  C12  121.54  3.000
 NQZ  H20  C10  C11  121.79  3.000
 NQZ  H20  C10  C9   120.46  3.000
 NQZ  C11  C10  C9   117.75  3.000
 NQZ  H22  C17  H21  106.92  3.000
 NQZ  H22  C17  C18  111.65  3.000
 NQZ  H21  C17  C18  110.89  3.000
 NQZ  H22  C17  N4   107.64  3.000
 NQZ  H21  C17  N4   107.29  3.000
 NQZ  C18  C17  N4   112.18  3.000
 NQZ  H24  C18  H23  106.57  3.000
 NQZ  H24  C18  C19  108.94  3.000
 NQZ  H23  C18  C19  108.61  3.000
 NQZ  H24  C18  C17  108.47  3.000
 NQZ  H23  C18  C17  109.43  3.000
 NQZ  C19  C18  C17  114.52  3.000
 NQZ  C20  C19  C21  109.69  3.000
 NQZ  C20  C19  O1   110.35  3.000
 NQZ  C21  C19  O1   106.07  3.000
 NQZ  O1   C19  C18  110.41  3.000
 NQZ  C20  C19  C18  111.38  3.000
 NQZ  C21  C19  C18  108.78  3.000
 NQZ  H25  O1   C19  109.11  3.000
 NQZ  H28  C21  H27  107.88  3.000
 NQZ  H28  C21  H26  108.32  3.000
 NQZ  H27  C21  H26  107.84  3.000
 NQZ  H28  C21  C19  110.92  3.000
 NQZ  H27  C21  C19  110.56  3.000
 NQZ  H26  C21  C19  111.19  3.000
 NQZ  H31  C20  H30  107.84  3.000
 NQZ  H31  C20  H29  107.47  3.000
 NQZ  H30  C20  H29  107.40  3.000
 NQZ  H31  C20  C19  111.15  3.000
 NQZ  H30  C20  C19  110.52  3.000
 NQZ  H29  C20  C19  112.26  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
 NQZ  CONST_01  C7   N5   C23  C22     0.00   0.0  0
 NQZ  CONST_02  C7   N1   C8   C22     0.00   0.0  0
 NQZ  CONST_03  N1   C7   N5   C23     0.00   0.0  0
 NQZ  CONST_04  N1   C8   C22  C23     0.00   0.0  0
 NQZ  CONST_05  C8   C22  C23  N5      0.00   0.0  0
 NQZ  CONST_06  C8   N1   C7   N5      0.00   0.0  0
 NQZ  CONST_07  C12  C13  C14  C9      0.00   0.0  0
 NQZ  CONST_08  C12  C11  C10  C9      0.00   0.0  0
 NQZ  CONST_09  C11  C10  C9   C14     0.00   0.0  0
 NQZ  CONST_10  C11  C12  C13  C14     0.00   0.0  0
 NQZ  CONST_11  C10  C9   C14  C13     0.00   0.0  0
 NQZ  CONST_12  C10  C11  C12  C13     0.00   0.0  0
 NQZ  CONST_13  N    C7   N5   C23   180.00   0.0  0
 NQZ  CONST_14  C8   N1   C7   N     180.00   0.0  0
 NQZ  CONST_15  C16  N4   C11  C12     0.00   0.0  0
 NQZ  CONST_16  N4   C16  N3   C12     0.00   0.0  0
 NQZ  CONST_17  N4   C11  C12  N3      0.00   0.0  0
 NQZ  CONST_18  C11  N4   C16  N3      0.00   0.0  0
 NQZ  CONST_19  C11  C12  N3   C16     0.00   0.0  0
 NQZ  CONST_20  N5   C23  C22  CL    180.00   0.0  0
 NQZ  CONST_21  N1   C8   C22  CL    180.00   0.0  0
 NQZ  CONST_22  N2   C8   C22  C23   180.00   0.0  0
 NQZ  CONST_23  N2   C8   N1   C7    180.00   0.0  0
 NQZ  CONST_24  C13  C14  C9   N2    180.00   0.0  0
 NQZ  CONST_25  C11  C10  C9   N2    180.00   0.0  0
 NQZ  CONST_26  C17  N4   C11  C12   180.00   0.0  0
 NQZ  CONST_27  O    C16  N3   C12   180.00   0.0  0
 NQZ  CONST_28  C17  N4   C16  N3    180.00   0.0  0
 NQZ  CONST_29  C11  C12  N3   C15   180.00   0.0  0
 NQZ  CONST_30  N4   C16  N3   C15   180.00   0.0  0
 NQZ  CONST_31  C11  N4   C16  O     180.00   0.0  0
 NQZ  CONST_32  H1   C23  N5   C7    180.00   0.0  0
 NQZ  CONST_33  H16  C13  C14  C9    180.00   0.0  0
 NQZ  CONST_34  H20  C10  C9   C14   180.00   0.0  0
 NQZ  CONST_35  H15  C14  C13  C12   180.00   0.0  0
 NQZ  CONST_36  O    C16  N3   C15     0.00   0.0  0
 NQZ  CONST_37  C17  N4   C16  O       0.00   0.0  0
 NQZ  Var_01    C3   N    C7   N5    -19.00  30.0  2
 NQZ  Var_02    C4   C3   N    C7    -91.48  30.0  1
 NQZ  Var_03    C1   C2   N    C7     90.57  30.0  1
 NQZ  Var_04    C9   N2   C8   C22  -178.97  30.0  2
 NQZ  Var_05    C14  C9   N2   C8    -45.34  30.0  2
 NQZ  Var_06    C18  C17  N4   C16    98.59  30.0  3
 NQZ  Var_07    H17  C15  N3   C12   172.45  30.0  3
 NQZ  Var_08    C19  C18  C17  N4    176.98  30.0  2
 NQZ  Var_09    C21  C19  C18  C17   174.96  30.0  1
 NQZ  Var_10    H26  C21  C19  C18   -59.89  30.0  3
 NQZ  Var_11    H29  C20  C19  C18    63.41  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
 NQZ  chir_01  C4  C5  C3  C6  positiv
 NQZ  chir_02  C1  C   C2  C6  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
 NQZ  plan-1  CL   0.020
 NQZ  plan-1  C22  0.020
 NQZ  plan-1  C23  0.020
 NQZ  plan-1  N5   0.020
 NQZ  plan-1  C7   0.020
 NQZ  plan-1  N    0.020
 NQZ  plan-1  C8   0.020
 NQZ  plan-1  N1   0.020
 NQZ  plan-1  N2   0.020
 NQZ  plan-1  H1   0.020
 NQZ  plan-2  N2   0.020
 NQZ  plan-2  C9   0.020
 NQZ  plan-2  C14  0.020
 NQZ  plan-2  C13  0.020
 NQZ  plan-2  C12  0.020
 NQZ  plan-2  N3   0.020
 NQZ  plan-2  C15  0.020
 NQZ  plan-2  C16  0.020
 NQZ  plan-2  O    0.020
 NQZ  plan-2  N4   0.020
 NQZ  plan-2  C11  0.020
 NQZ  plan-2  C10  0.020
 NQZ  plan-2  C17  0.020
 NQZ  plan-2  H15  0.020
 NQZ  plan-2  H16  0.020
 NQZ  plan-2  H20  0.020

