# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Tue Apr  7 23:26:37 2020
#   Inital geometry file: a 146 line input string
#   Ligand name: 6-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-(trifluoromethyl)phenoxy]-1-(2,4,6-trifluorobenzyl)quinazolin-4(1H)-one
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: Fc1cc(F)c(CN2C=NC(=O)c3cc(Oc4cccc(c5oc6cccnc6n5)c4C(F)(F)F)ccc23)c(F)c1
#
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
 1NZ  1NZ  6-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-(trifluoromethyl)phenoxy]-1-(2,4,6-trifluorobenzyl)quinazolin-4(1H)-one  ligand  55  41  .  2021-08-03  2021-08-03  
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as OK
;

data_comp_1NZ
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
 1NZ  C1   C  CR6   0   0.565    7.5957  -0.6822   0.1225
 1NZ  C2   C  CR16  0  -0.568    8.6034   0.2011   0.4582
 1NZ  C3   C  CR6   0   0.562    8.3687   1.5406   0.2241
 1NZ  C4   C  CR16  0  -0.565    7.1885   2.0098  -0.3209
 1NZ  C5   C  CR6   0   0.593    6.2292   1.0711  -0.6339
 1NZ  C6   C  CR6   0  -0.289    6.3837  -0.2945  -0.4317
 1NZ  C7   C  CH2   0  -0.426    5.3042  -1.2775  -0.7911
 1NZ  N8   N  N     0  -0.480    3.3569  -1.4298   2.2776
 1NZ  C9   C  CR16  0   0.173    4.2555  -1.4943   1.3550
 1NZ  N10  N  NR6   0  -0.533    4.1222  -1.1404   0.0668
 1NZ  C11  C  CR66  0   0.437    2.8940  -0.6654  -0.3717
 1NZ  C12  C  CR66  0  -0.159    1.8666  -0.5599   0.5710
 1NZ  C13  C  CR16  0  -0.373    0.6035  -0.0989   0.1927
 1NZ  C14  C  CR6   0   0.381    0.3715   0.2581  -1.1147
 1NZ  C15  C  CR16  0  -0.307    1.3912   0.1479  -2.0621
 1NZ  C16  C  CR16  0  -0.309    2.6358  -0.3094  -1.7006
 1NZ  C17  C  CR6   0   0.457    2.1065  -0.9515   1.9683
 1NZ  O18  O  O     0  -0.452    1.2407  -0.8687   2.8242
 1NZ  F19  F  F     0  -0.306   -3.6604  -0.7799  -2.4176
 1NZ  O20  O  O2    0  -0.506   -0.8330   0.6964  -1.5808
 1NZ  C21  C  CR6   0   0.330   -1.7632   1.1698  -0.7059
 1NZ  C22  C  CR16  0  -0.286   -1.5135   2.3595  -0.0340
 1NZ  C23  C  CR16  0  -0.232   -2.4809   2.8958   0.7917
 1NZ  C24  C  CR16  0  -0.282   -3.7111   2.2695   0.9162
 1NZ  C25  C  CR6   0   0.004   -3.9701   1.0890   0.2312
 1NZ  C26  C  CR6   0  -0.299   -2.9687   0.4898  -0.5484
 1NZ  C27  C  CT    0   1.082   -3.1666  -0.8654  -1.1795
 1NZ  F28  F  F     0  -0.297    9.3180   2.4213   0.5407
 1NZ  F29  F  F     0  -0.306   -4.0011  -1.6244  -0.4611
 1NZ  F30  F  F     0  -0.298   -2.0288  -1.5610  -1.2568
 1NZ  F31  F  F     0  -0.298    7.8040  -1.9815   0.3525
 1NZ  F32  F  F     0  -0.293    5.0772   1.4945  -1.1584
 1NZ  C33  C  CR5   0   0.458   -5.3394   0.5711   0.2927
 1NZ  O34  O  O     0  -0.426   -5.9079   0.4870   1.5176
 1NZ  N35  N  N     0  -0.418   -6.1005   0.2591  -0.6935
 1NZ  C36  C  CR56  0   0.274   -7.2986  -0.0836  -0.1023
 1NZ  C37  C  CR56  0   0.278   -7.1694   0.0656   1.2748
 1NZ  C38  C  CR16  0  -0.243   -8.2088  -0.2031   2.1352
 1NZ  C39  C  CR16  0  -0.327   -9.3706  -0.6244   1.5011
 1NZ  C40  C  CR16  0  -0.085   -9.4186  -0.7451   0.1083
 1NZ  N41  N  N     0  -0.413   -8.4034  -0.4817  -0.7060
 1NZ  H1   H  HCR6  0   0.315    9.5335  -0.1467   0.8869
 1NZ  H2   H  HCR6  0   0.315    7.0214   3.0642  -0.4947
 1NZ  H3   H  HCH2  0   0.323    5.0118  -1.1647  -1.8298
 1NZ  H4   H  HCH2  0   0.328    5.6683  -2.2985  -0.7004
 1NZ  H5   H  HCR6  0   0.296    5.2344  -1.8780   1.6234
 1NZ  H6   H  HCR6  0   0.291   -0.1689  -0.0390   0.9478
 1NZ  H7   H  HCR6  0   0.293    1.2002   0.4211  -3.0916
 1NZ  H8   H  HCR6  0   0.294    3.3893  -0.3800  -2.4693
 1NZ  H9   H  HCR6  0   0.302   -0.5652   2.8629  -0.1712
 1NZ  H10  H  HCR6  0   0.289   -2.2902   3.8211   1.3169
 1NZ  H11  H  HCR6  0   0.285   -4.4822   2.7254   1.5215
 1NZ  H12  H  HCR6  0   0.297   -8.1369  -0.0992   3.2090
 1NZ  H13  H  HCR6  0   0.286  -10.2503  -0.8648   2.0810
 1NZ  H14  H  HCR6  0   0.271  -10.3376  -1.0752  -0.3607

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
 1NZ  C39  C40  aromatic  1.399  0.020  1.399
 1NZ  C39  C38  aromatic  1.389  0.020  1.389
 1NZ  C40  N41  aromatic  1.328  0.020  1.328
 1NZ  F28  C3   single    1.333  0.020  1.333
 1NZ  F30  C27  single    1.336  0.020  1.336
 1NZ  C38  C37  aromatic  1.376  0.020  1.376
 1NZ  F29  C27  single    1.337  0.020  1.337
 1NZ  N41  C36  aromatic  1.320  0.020  1.320
 1NZ  F19  C27  single    1.336  0.020  1.336
 1NZ  C37  C36  aromatic  1.391  0.020  1.391
 1NZ  C37  O34  aromatic  1.352  0.020  1.352
 1NZ  C27  C26  single    1.508  0.020  1.508
 1NZ  C3   C2   aromatic  1.380  0.020  1.380
 1NZ  C3   C4   aromatic  1.382  0.020  1.382
 1NZ  C36  N35  aromatic  1.379  0.020  1.379
 1NZ  C2   C1   aromatic  1.381  0.020  1.381
 1NZ  O34  C33  aromatic  1.353  0.020  1.353
 1NZ  C4   C5   aromatic  1.378  0.020  1.378
 1NZ  N35  C33  aromatic  1.284  0.020  1.284
 1NZ  C33  C25  single    1.465  0.020  1.465
 1NZ  C26  C25  aromatic  1.403  0.020  1.403
 1NZ  C26  C21  aromatic  1.393  0.020  1.393
 1NZ  C1   F31  single    1.336  0.020  1.336
 1NZ  C1   C6   aromatic  1.388  0.020  1.388
 1NZ  C25  C24  aromatic  1.389  0.020  1.389
 1NZ  O20  C21  single    1.362  0.020  1.362
 1NZ  O20  C14  single    1.364  0.020  1.364
 1NZ  C5   C6   aromatic  1.389  0.020  1.389
 1NZ  C5   F32  single    1.335  0.020  1.335
 1NZ  C21  C22  aromatic  1.389  0.020  1.389
 1NZ  C14  C13  aromatic  1.375  0.020  1.375
 1NZ  C14  C15  aromatic  1.396  0.020  1.396
 1NZ  C6   C7   single    1.504  0.020  1.504
 1NZ  C13  C12  aromatic  1.397  0.020  1.397
 1NZ  C15  C16  aromatic  1.374  0.020  1.374
 1NZ  O18  C17  double    1.220  0.020  1.220
 1NZ  C12  C17  single    1.471  0.020  1.471
 1NZ  C12  C11  aromatic  1.398  0.020  1.398
 1NZ  C16  C11  aromatic  1.400  0.020  1.400
 1NZ  C24  C23  aromatic  1.386  0.020  1.386
 1NZ  C17  N8   single    1.374  0.020  1.374
 1NZ  C11  N10  single    1.388  0.020  1.388
 1NZ  C22  C23  aromatic  1.380  0.020  1.380
 1NZ  N8   C9   double    1.289  0.020  1.289
 1NZ  N10  C7   single    1.467  0.020  1.467
 1NZ  N10  C9   single    1.343  0.020  1.343
 1NZ  C2   H1   single    0.930  0.020  1.080
 1NZ  C4   H2   single    0.930  0.020  1.080
 1NZ  C7   H3   single    0.970  0.020  1.090
 1NZ  C7   H4   single    0.970  0.020  1.090
 1NZ  C9   H5   single    0.930  0.020  1.080
 1NZ  C13  H6   single    0.930  0.020  1.080
 1NZ  C15  H7   single    0.930  0.020  1.080
 1NZ  C16  H8   single    0.930  0.020  1.080
 1NZ  C22  H9   single    0.930  0.020  1.080
 1NZ  C23  H10  single    0.930  0.020  1.080
 1NZ  C24  H11  single    0.930  0.020  1.080
 1NZ  C38  H12  single    0.930  0.020  1.080
 1NZ  C39  H13  single    0.930  0.020  1.080
 1NZ  C40  H14  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
 1NZ  F31  C1   C6   118.46  3.000
 1NZ  C6   C1   C2   123.74  3.000
 1NZ  F31  C1   C2   117.80  3.000
 1NZ  H1   C2   C3   121.71  3.000
 1NZ  H1   C2   C1   121.20  3.000
 1NZ  C3   C2   C1   117.09  3.000
 1NZ  F28  C3   C4   118.52  3.000
 1NZ  C4   C3   C2   122.80  3.000
 1NZ  F28  C3   C2   118.68  3.000
 1NZ  H2   C4   C5   121.33  3.000
 1NZ  H2   C4   C3   121.76  3.000
 1NZ  C5   C4   C3   116.91  3.000
 1NZ  F32  C5   C6   117.72  3.000
 1NZ  F32  C5   C4   118.29  3.000
 1NZ  C6   C5   C4   123.99  3.000
 1NZ  C7   C6   C5   121.87  3.000
 1NZ  C7   C6   C1   122.67  3.000
 1NZ  C5   C6   C1   115.46  3.000
 1NZ  H4   C7   H3   105.52  3.000
 1NZ  H4   C7   N10  107.98  3.000
 1NZ  H3   C7   N10  109.46  3.000
 1NZ  H4   C7   C6   110.69  3.000
 1NZ  H3   C7   C6   110.75  3.000
 1NZ  N10  C7   C6   112.18  3.000
 1NZ  C17  N8   C9   119.38  3.000
 1NZ  H5   C9   N10  114.84  3.000
 1NZ  H5   C9   N8   117.99  3.000
 1NZ  N10  C9   N8   127.17  3.000
 1NZ  C11  N10  C9   118.76  3.000
 1NZ  C9   N10  C7   117.17  3.000
 1NZ  C11  N10  C7   124.07  3.000
 1NZ  C16  C11  C12  119.03  3.000
 1NZ  C16  C11  N10  123.38  3.000
 1NZ  C12  C11  N10  117.58  3.000
 1NZ  C17  C12  C13  119.52  3.000
 1NZ  C17  C12  C11  120.03  3.000
 1NZ  C13  C12  C11  120.44  3.000
 1NZ  H6   C13  C14  121.92  3.000
 1NZ  H6   C13  C12  118.35  3.000
 1NZ  C14  C13  C12  119.73  3.000
 1NZ  O20  C14  C15  116.01  3.000
 1NZ  C15  C14  C13  120.10  3.000
 1NZ  O20  C14  C13  123.88  3.000
 1NZ  H7   C15  C16  119.61  3.000
 1NZ  H7   C15  C14  119.78  3.000
 1NZ  C16  C15  C14  120.61  3.000
 1NZ  H8   C16  C15  117.83  3.000
 1NZ  H8   C16  C11  122.07  3.000
 1NZ  C15  C16  C11  120.09  3.000
 1NZ  O18  C17  C12  122.17  3.000
 1NZ  C12  C17  N8   117.06  3.000
 1NZ  O18  C17  N8   120.76  3.000
 1NZ  C21  O20  C14  119.70  3.000
 1NZ  C26  C21  C22  121.26  3.000
 1NZ  C22  C21  O20  119.06  3.000
 1NZ  C26  C21  O20  119.61  3.000
 1NZ  H9   C22  C23  120.61  3.000
 1NZ  H9   C22  C21  119.64  3.000
 1NZ  C23  C22  C21  119.75  3.000
 1NZ  H10  C23  C24  119.98  3.000
 1NZ  H10  C23  C22  119.98  3.000
 1NZ  C24  C23  C22  120.02  3.000
 1NZ  H11  C24  C25  120.09  3.000
 1NZ  H11  C24  C23  119.53  3.000
 1NZ  C25  C24  C23  120.34  3.000
 1NZ  C33  C25  C26  122.63  3.000
 1NZ  C26  C25  C24  120.25  3.000
 1NZ  C33  C25  C24  116.99  3.000
 1NZ  C27  C26  C25  121.50  3.000
 1NZ  C25  C26  C21  118.16  3.000
 1NZ  C27  C26  C21  120.33  3.000
 1NZ  F30  C27  F29  105.49  3.000
 1NZ  F29  C27  C26  111.54  3.000
 1NZ  F30  C27  C26  112.36  3.000
 1NZ  C26  C27  F19  112.27  3.000
 1NZ  F29  C27  F19  107.68  3.000
 1NZ  F30  C27  F19  107.13  3.000
 1NZ  N35  C33  O34  115.54  3.000
 1NZ  N35  C33  C25  127.41  3.000
 1NZ  O34  C33  C25  116.91  3.000
 1NZ  C37  O34  C33  104.41  3.000
 1NZ  C36  N35  C33  104.24  3.000
 1NZ  N41  C36  C37  124.24  3.000
 1NZ  C37  C36  N35  108.48  3.000
 1NZ  N41  C36  N35  127.28  3.000
 1NZ  C38  C37  C36  121.87  3.000
 1NZ  C36  C37  O34  107.33  3.000
 1NZ  C38  C37  O34  130.80  3.000
 1NZ  H12  C38  C39  122.56  3.000
 1NZ  H12  C38  C37  123.51  3.000
 1NZ  C39  C38  C37  113.93  3.000
 1NZ  H13  C39  C40  119.16  3.000
 1NZ  H13  C39  C38  120.22  3.000
 1NZ  C40  C39  C38  120.62  3.000
 1NZ  H14  C40  N41  116.33  3.000
 1NZ  H14  C40  C39  119.11  3.000
 1NZ  N41  C40  C39  124.56  3.000
 1NZ  C40  N41  C36  114.78  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
 1NZ  CONST_01  C4   C3   C2   C1      0.00   0.0  0
 1NZ  CONST_02  C4   C5   C6   C1      0.00   0.0  0
 1NZ  CONST_03  C5   C4   C3   C2      0.00   0.0  0
 1NZ  CONST_04  C5   C6   C1   C2      0.00   0.0  0
 1NZ  CONST_05  C6   C1   C2   C3      0.00   0.0  0
 1NZ  CONST_06  C6   C5   C4   C3      0.00   0.0  0
 1NZ  CONST_07  C14  C13  C12  C11     0.00   0.0  0
 1NZ  CONST_08  C14  C15  C16  C11     0.00   0.0  0
 1NZ  CONST_09  C15  C14  C13  C12     0.00   0.0  0
 1NZ  CONST_10  C15  C16  C11  C12     0.00   0.0  0
 1NZ  CONST_11  C16  C15  C14  C13     0.00   0.0  0
 1NZ  CONST_12  C16  C11  C12  C13     0.00   0.0  0
 1NZ  CONST_13  C33  C25  C26  C21   180.00   0.0  0
 1NZ  CONST_14  C24  C25  C26  C21     0.00   0.0  0
 1NZ  CONST_15  C24  C23  C22  C21     0.00   0.0  0
 1NZ  CONST_16  C25  C26  C21  C22     0.00   0.0  0
 1NZ  CONST_17  C25  C24  C23  C22     0.00   0.0  0
 1NZ  CONST_18  C33  C25  C24  C23   180.00   0.0  0
 1NZ  CONST_19  C26  C25  C24  C23     0.00   0.0  0
 1NZ  CONST_20  C26  C21  C22  C23     0.00   0.0  0
 1NZ  CONST_23  C37  O34  C33  C25   180.00   0.0  0
 1NZ  CONST_24  C36  N35  C33  C25   180.00   0.0  0
 1NZ  CONST_27  C38  C37  O34  C33   180.00   0.0  0
 1NZ  CONST_28  C36  C37  O34  C33     0.00   0.0  0
 1NZ  CONST_29  N41  C36  N35  C33   180.00   0.0  0
 1NZ  CONST_30  C37  C36  N35  C33     0.00   0.0  0
 1NZ  CONST_31  C39  C38  C37  O34   180.00   0.0  0
 1NZ  CONST_32  N41  C36  C37  O34   180.00   0.0  0
 1NZ  CONST_33  N35  C36  C37  O34     0.00   0.0  0
 1NZ  CONST_34  C36  N35  C33  O34     0.00   0.0  0
 1NZ  CONST_35  C40  N41  C36  N35   180.00   0.0  0
 1NZ  CONST_36  C38  C37  C36  N35   180.00   0.0  0
 1NZ  CONST_37  C37  O34  C33  N35     0.00   0.0  0
 1NZ  CONST_38  C39  C40  N41  C36     0.00   0.0  0
 1NZ  CONST_39  C39  C38  C37  C36     0.00   0.0  0
 1NZ  CONST_40  C40  C39  C38  C37     0.00   0.0  0
 1NZ  CONST_41  C40  N41  C36  C37     0.00   0.0  0
 1NZ  CONST_42  N41  C40  C39  C38     0.00   0.0  0
 1NZ  CONST_43  N41  C36  C37  C38     0.00   0.0  0
 1NZ  CONST_44  C11  N10  C9   N8      0.00   0.0  0
 1NZ  CONST_45  C17  N8   C9   N10     0.00   0.0  0
 1NZ  CONST_46  F28  C3   C2   C1    180.00   0.0  0
 1NZ  CONST_47  F32  C5   C6   C1    180.00   0.0  0
 1NZ  CONST_48  C7   C6   C1   C2    180.00   0.0  0
 1NZ  CONST_49  F31  C1   C2   C3    180.00   0.0  0
 1NZ  CONST_50  F32  C5   C4   C3    180.00   0.0  0
 1NZ  CONST_51  C7   C6   C5   C4    180.00   0.0  0
 1NZ  CONST_52  F28  C3   C4   C5    180.00   0.0  0
 1NZ  CONST_53  F31  C1   C6   C5    180.00   0.0  0
 1NZ  CONST_54  O20  C14  C13  C12   180.00   0.0  0
 1NZ  CONST_55  O20  C14  C15  C16   180.00   0.0  0
 1NZ  CONST_56  C25  C26  C21  O20   180.00   0.0  0
 1NZ  CONST_57  C23  C22  C21  O20   180.00   0.0  0
 1NZ  CONST_58  C27  C26  C21  C22   180.00   0.0  0
 1NZ  CONST_59  C27  C26  C25  C24   180.00   0.0  0
 1NZ  CONST_60  C33  C25  C26  C27     0.00   0.0  0
 1NZ  CONST_61  N8   C9   N10  C7    180.00   0.0  0
 1NZ  CONST_62  H2   C4   C3   C2    180.00   0.0  0
 1NZ  CONST_63  H1   C2   C3   C4    180.00   0.0  0
 1NZ  CONST_64  H8   C16  C11  N10     0.00   0.0  0
 1NZ  CONST_65  H6   C13  C12  C11   180.00   0.0  0
 1NZ  CONST_66  H7   C15  C16  C11   180.00   0.0  0
 1NZ  CONST_67  H10  C23  C22  C21   180.00   0.0  0
 1NZ  CONST_68  H11  C24  C23  C22   180.00   0.0  0
 1NZ  CONST_69  H9   C22  C23  C24   180.00   0.0  0
 1NZ  CONST_70  H12  C38  C37  O34     0.00   0.0  0
 1NZ  CONST_71  H14  C40  N41  C36   180.00   0.0  0
 1NZ  CONST_72  H13  C39  C38  C37   180.00   0.0  0
 1NZ  CONST_73  H5   C9   N10  C11   180.00   0.0  0
 1NZ  Var_01    N10  C7   C6   C1    112.03  30.0  2
 1NZ  Var_02    C11  N10  C7   C6    111.06  30.0  1
 1NZ  Var_03    C26  C21  O20  C14  -115.41  30.0  2
 1NZ  Var_04    C25  C26  C27  F19    91.88  30.0  2

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
 1NZ  plan-1  C1   0.020
 1NZ  plan-1  C2   0.020
 1NZ  plan-1  C3   0.020
 1NZ  plan-1  C4   0.020
 1NZ  plan-1  C5   0.020
 1NZ  plan-1  C6   0.020
 1NZ  plan-1  C7   0.020
 1NZ  plan-1  F28  0.020
 1NZ  plan-1  F31  0.020
 1NZ  plan-1  F32  0.020
 1NZ  plan-1  H1   0.020
 1NZ  plan-1  H2   0.020
 1NZ  plan-2  O20  0.020
 1NZ  plan-2  C21  0.020
 1NZ  plan-2  C22  0.020
 1NZ  plan-2  C23  0.020
 1NZ  plan-2  C24  0.020
 1NZ  plan-2  C25  0.020
 1NZ  plan-2  C26  0.020
 1NZ  plan-2  C27  0.020
 1NZ  plan-2  C33  0.020
 1NZ  plan-2  H9   0.020
 1NZ  plan-2  H10  0.020
 1NZ  plan-2  H11  0.020
 1NZ  plan-3  C25  0.020
 1NZ  plan-3  C33  0.020
 1NZ  plan-3  O34  0.020
 1NZ  plan-3  N35  0.020
 1NZ  plan-3  C36  0.020
 1NZ  plan-3  C37  0.020
 1NZ  plan-3  C38  0.020
 1NZ  plan-3  C39  0.020
 1NZ  plan-3  C40  0.020
 1NZ  plan-3  N41  0.020
 1NZ  plan-3  H12  0.020
 1NZ  plan-3  H13  0.020
 1NZ  plan-3  H14  0.020
 1NZ  plan-4  C7   0.020
 1NZ  plan-4  N8   0.020
 1NZ  plan-4  C9   0.020
 1NZ  plan-4  N10  0.020
 1NZ  plan-4  C11  0.020
 1NZ  plan-4  C12  0.020
 1NZ  plan-4  C13  0.020
 1NZ  plan-4  C14  0.020
 1NZ  plan-4  C15  0.020
 1NZ  plan-4  C16  0.020
 1NZ  plan-4  C17  0.020
 1NZ  plan-4  O18  0.020
 1NZ  plan-4  O20  0.020
 1NZ  plan-4  H5   0.020
 1NZ  plan-4  H6   0.020
 1NZ  plan-4  H7   0.020
 1NZ  plan-4  H8   0.020

