# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Thu Apr 30 13:58:58 2020
#   Inital geometry file: a 147 line input string
#   Ligand name: ~{N}-[4-[[5-fluoranyl-7-(2-methoxyethoxy)quinazolin-4-yl]amino]phenyl]-2-(4-propan-2-yl-1,2,3-triazol-1-yl)ethanamide
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: COCCOc1cc(F)c2c(Nc3ccc(NC(=O)Cn4cc(nn4)C(C)C)cc3)ncnc2c1
#
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
 F8H  F8H  ~{N}-[4-[[5-fluoranyl-7-(2-methoxyethoxy)quinazolin-4-yl]amino]phenyl]-2-(4-propan-2-yl-1,2,3-triazol-1-yl)ethanamide  ligand  61  35  .  2021-08-09  2021-08-09  
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as OK
;

data_comp_F8H
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
 F8H  C1   C  CH1   0  -0.315   10.0252  -1.7180  -0.6620
 F8H  C2   C  CH3   0  -0.663   10.3618  -1.2782  -2.0822
 F8H  C3   C  CR5   0   0.182    9.0513  -0.7871  -0.0144
 F8H  N6   N  N     0  -0.474   -2.0818   1.4500  -1.6260
 F8H  C7   C  CR6   0   0.369    2.6541   1.2556   0.3361
 F8H  C8   C  CR16  0  -0.300    2.1346   0.0601   0.8283
 F8H  C9   C  CR16  0  -0.325    0.7659  -0.1557   0.8032
 F8H  C10  C  CR6   0   0.339   -0.1151   0.7984   0.3050
 F8H  C11  C  CR16  0  -0.266    0.4041   1.9999  -0.1720
 F8H  C12  C  CR16  0  -0.345    1.7694   2.2141  -0.1599
 F8H  C13  C  CR6   0   0.568   -2.4415   0.8324  -0.5194
 F8H  C14  C  CR66  0  -0.306   -3.8234   0.4964  -0.2937
 F8H  C15  C  CR66  0   0.286   -4.7314   0.8541  -1.3251
 F8H  C16  C  CR16  0  -0.448   -6.0950   0.5682  -1.2037
 F8H  C19  C  CR6   0   0.616   -4.3786  -0.1315   0.8297
 F8H  C20  C  CH2   0  -0.230   -8.4714  -0.9146   1.1091
 F8H  C21  C  CH2   0  -0.159   -9.9534  -1.0441   0.8811
 F8H  C22  C  CH3   0  -0.397  -11.5608  -2.0907  -0.4481
 F8H  F    F  F     0  -0.311   -3.5752  -0.4843   1.8468
 F8H  C18  C  CR16  0  -0.547   -5.7077  -0.4134   0.9675
 F8H  C17  C  CR6   0   0.433   -6.5852  -0.0594  -0.0754
 F8H  O1   O  O2    0  -0.462   -7.8977  -0.2980  -0.0364
 F8H  O2   O  O2    0  -0.482  -10.1914  -1.9367  -0.1732
 F8H  N5   N  N     0  -0.470   -4.3050   1.4860  -2.4523
 F8H  C23  C  CR16  0   0.046   -3.0315   1.7397  -2.5218
 F8H  N4   N  NH1   0  -0.775   -1.4897   0.5221   0.3833
 F8H  N3   N  NH1   0  -0.743    4.0160   1.5821   0.3297
 F8H  C6   C  C     0   0.535    5.0803   0.7725   0.5207
 F8H  O    O  O     0  -0.445    5.0315  -0.4221   0.7225
 F8H  N    N  NR5   0  -0.246    7.5150   0.6257   0.4806
 F8H  C4   C  CR15  0  -0.081    8.1175   0.0470  -0.5741
 F8H  N1   N  N     0  -0.100    8.0178   0.1797   1.6164
 F8H  N2   N  N     0  -0.319    8.9451  -0.6657   1.3299
 F8H  C    C  CH3   0  -0.645    9.4966  -3.1540  -0.6434
 F8H  H1   H  HCH1  0   0.246   10.9422  -1.6916  -0.0651
 F8H  H2   H  HCH3  0   0.222    9.4827  -1.3187  -2.7281
 F8H  H3   H  HCH3  0   0.235   10.7525  -0.2604  -2.1073
 F8H  H4   H  HCH3  0   0.238   11.1142  -1.9376  -2.5151
 F8H  H5   H  HCR6  0   0.282    2.7733  -0.7092   1.2304
 F8H  H6   H  HCR6  0   0.274    0.3800  -1.0933   1.1848
 F8H  H7   H  HCR6  0   0.273   -0.2454   2.7741  -0.5498
 F8H  H8   H  HCR6  0   0.276    2.1522   3.1548  -0.5372
 F8H  H9   H  HCR6  0   0.271   -6.7614   0.8511  -2.0079
 F8H  H10  H  HCH2  0   0.245   -8.3047  -0.3025   2.0008
 F8H  H11  H  HCH2  0   0.243   -8.0254  -1.8996   1.2831
 F8H  H12  H  HCH2  0   0.217  -10.4040  -1.3990   1.8185
 F8H  H13  H  HCH2  0   0.214  -10.3881  -0.0558   0.6740
 F8H  H14  H  HCH3  0   0.206  -12.1125  -2.4864   0.4129
 F8H  H15  H  HCH3  0   0.206  -12.0301  -1.1440  -0.7408
 F8H  H16  H  HCH3  0   0.236  -11.6611  -2.7939  -1.2738
 F8H  H17  H  HCR6  0   0.313   -6.0457  -0.8954   1.8741
 F8H  H18  H  HCR6  0   0.253   -2.6826   2.2466  -3.4162
 F8H  H19  H  HNH1  0   0.421   -1.7561  -0.0723   1.1500
 F8H  H20  H  HNH1  0   0.423    4.2178   2.5480   0.1147
 F8H  H21  H  HCH2  0   0.315    6.4637   2.1669  -0.4037
 F8H  H22  H  HCH2  0   0.330    6.4807   2.1797   1.3537
 F8H  H23  H  HCR5  0   0.306    7.8512   0.2758  -1.5919
 F8H  H24  H  HCH3  0   0.230   10.2405  -3.8405  -1.0509
 F8H  H25  H  HCH3  0   0.233    9.2584  -3.4794   0.3696
 F8H  H26  H  HCH3  0   0.221    8.5919  -3.2417  -1.2483
 F8H  C5   C  CH2   0  -0.449    6.4041   1.5310   0.4797

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
 F8H  C8   C9   aromatic  1.386  0.020  1.386
 F8H  C8   C7   aromatic  1.393  0.020  1.393
 F8H  N3   C7   single    1.400  0.020  1.400
 F8H  N3   C6   single    1.351  0.020  1.351
 F8H  C9   C10  aromatic  1.391  0.020  1.391
 F8H  C7   C12  aromatic  1.395  0.020  1.395
 F8H  C5   C6   single    1.526  0.020  1.526
 F8H  C5   N    single    1.433  0.020  1.433
 F8H  C10  N4   single    1.404  0.020  1.404
 F8H  C10  C11  aromatic  1.393  0.020  1.393
 F8H  N1   N    aromatic  1.320  0.020  1.320
 F8H  N1   N2   aromatic  1.287  0.020  1.287
 F8H  C6   O    double    1.213  0.020  1.213
 F8H  N4   C13  single    1.348  0.020  1.348
 F8H  C12  C11  aromatic  1.382  0.020  1.382
 F8H  F    C19  single    1.343  0.020  1.343
 F8H  N    C4   aromatic  1.345  0.020  1.345
 F8H  C13  N6   aromatic  1.317  0.020  1.317
 F8H  C13  C14  aromatic  1.440  0.020  1.440
 F8H  C19  C14  aromatic  1.402  0.020  1.402
 F8H  C19  C18  aromatic  1.366  0.020  1.366
 F8H  N6   C23  aromatic  1.337  0.020  1.337
 F8H  N2   C3   aromatic  1.354  0.020  1.354
 F8H  C14  C15  aromatic  1.420  0.020  1.420
 F8H  C18  C17  aromatic  1.408  0.020  1.408
 F8H  C23  N5   aromatic  1.300  0.020  1.300
 F8H  C4   C3   aromatic  1.371  0.020  1.371
 F8H  C15  N5   aromatic  1.361  0.020  1.361
 F8H  C15  C16  aromatic  1.399  0.020  1.399
 F8H  C17  C16  aromatic  1.381  0.020  1.381
 F8H  C17  O1   single    1.335  0.020  1.335
 F8H  C3   C1   single    1.495  0.020  1.495
 F8H  O1   C20  single    1.422  0.020  1.422
 F8H  C20  C21  single    1.505  0.020  1.505
 F8H  C1   C    single    1.530  0.020  1.530
 F8H  C1   C2   single    1.524  0.020  1.524
 F8H  C21  O2   single    1.402  0.020  1.402
 F8H  O2   C22  single    1.405  0.020  1.405
 F8H  C1   H1   single    0.970  0.020  1.090
 F8H  C2   H2   single    0.970  0.020  1.090
 F8H  C2   H3   single    0.970  0.020  1.090
 F8H  C2   H4   single    0.970  0.020  1.090
 F8H  C8   H5   single    0.930  0.020  1.080
 F8H  C9   H6   single    0.930  0.020  1.080
 F8H  C11  H7   single    0.930  0.020  1.080
 F8H  C12  H8   single    0.930  0.020  1.080
 F8H  C16  H9   single    0.930  0.020  1.080
 F8H  C20  H10  single    0.970  0.020  1.090
 F8H  C20  H11  single    0.970  0.020  1.090
 F8H  C21  H12  single    0.970  0.020  1.090
 F8H  C21  H13  single    0.970  0.020  1.090
 F8H  C22  H14  single    0.970  0.020  1.090
 F8H  C22  H15  single    0.970  0.020  1.090
 F8H  C22  H16  single    0.970  0.020  1.090
 F8H  C18  H17  single    0.930  0.020  1.080
 F8H  C23  H18  single    0.930  0.020  1.080
 F8H  N4   H19  single    0.860  0.020  1.020
 F8H  N3   H20  single    0.860  0.020  1.020
 F8H  C5   H21  single    0.970  0.020  1.090
 F8H  C5   H22  single    0.970  0.020  1.090
 F8H  C4   H23  single    0.930  0.020  1.080
 F8H  C    H24  single    0.970  0.020  1.090
 F8H  C    H25  single    0.970  0.020  1.090
 F8H  C    H26  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
 F8H  H1   C1   C    107.78  3.000
 F8H  H1   C1   C3   107.13  3.000
 F8H  C    C1   C3   110.73  3.000
 F8H  H1   C1   C2   108.43  3.000
 F8H  C    C1   C2   111.00  3.000
 F8H  C3   C1   C2   111.58  3.000
 F8H  H4   C2   H3   107.95  3.000
 F8H  H4   C2   H2   107.36  3.000
 F8H  H3   C2   H2   108.03  3.000
 F8H  H4   C2   C1   110.36  3.000
 F8H  H3   C2   C1   111.71  3.000
 F8H  H2   C2   C1   111.27  3.000
 F8H  N2   C3   C4   107.29  3.000
 F8H  C4   C3   C1   130.21  3.000
 F8H  N2   C3   C1   122.49  3.000
 F8H  C23  N6   C13  118.06  3.000
 F8H  N3   C7   C12  117.05  3.000
 F8H  C12  C7   C8   118.59  3.000
 F8H  N3   C7   C8   124.35  3.000
 F8H  H5   C8   C9   118.74  3.000
 F8H  H5   C8   C7   121.56  3.000
 F8H  C9   C8   C7   119.70  3.000
 F8H  H6   C9   C10  119.62  3.000
 F8H  H6   C9   C8   118.70  3.000
 F8H  C10  C9   C8   121.68  3.000
 F8H  N4   C10  C11  123.61  3.000
 F8H  C11  C10  C9   118.57  3.000
 F8H  N4   C10  C9   117.72  3.000
 F8H  H7   C11  C12  119.12  3.000
 F8H  H7   C11  C10  120.96  3.000
 F8H  C12  C11  C10  119.92  3.000
 F8H  H8   C12  C11  118.72  3.000
 F8H  H8   C12  C7   119.74  3.000
 F8H  C11  C12  C7   121.54  3.000
 F8H  N4   C13  C14  121.26  3.000
 F8H  C14  C13  N6   120.21  3.000
 F8H  N4   C13  N6   118.53  3.000
 F8H  C19  C14  C15  116.21  3.000
 F8H  C15  C14  C13  116.17  3.000
 F8H  C19  C14  C13  127.62  3.000
 F8H  N5   C15  C16  118.19  3.000
 F8H  C16  C15  C14  120.59  3.000
 F8H  N5   C15  C14  121.22  3.000
 F8H  H9   C16  C17  120.49  3.000
 F8H  H9   C16  C15  118.85  3.000
 F8H  C17  C16  C15  120.66  3.000
 F8H  C18  C19  F    116.84  3.000
 F8H  C18  C19  C14  123.98  3.000
 F8H  F    C19  C14  119.18  3.000
 F8H  H11  C20  H10  108.15  3.000
 F8H  H11  C20  O1   110.72  3.000
 F8H  H10  C20  O1   110.64  3.000
 F8H  H11  C20  C21  110.34  3.000
 F8H  H10  C20  C21  108.76  3.000
 F8H  O1   C20  C21  108.21  3.000
 F8H  H13  C21  H12  106.79  3.000
 F8H  H13  C21  O2   111.32  3.000
 F8H  H12  C21  O2   111.49  3.000
 F8H  H13  C21  C20  109.91  3.000
 F8H  H12  C21  C20  107.60  3.000
 F8H  O2   C21  C20  109.63  3.000
 F8H  H16  C22  H15  108.40  3.000
 F8H  H16  C22  H14  108.42  3.000
 F8H  H15  C22  H14  107.80  3.000
 F8H  H16  C22  O2   107.99  3.000
 F8H  H15  C22  O2   112.01  3.000
 F8H  H14  C22  O2   112.10  3.000
 F8H  H17  C18  C17  122.57  3.000
 F8H  H17  C18  C19  118.75  3.000
 F8H  C17  C18  C19  118.68  3.000
 F8H  O1   C17  C18  123.12  3.000
 F8H  O1   C17  C16  117.01  3.000
 F8H  C18  C17  C16  119.87  3.000
 F8H  C17  O1   C20  119.86  3.000
 F8H  C22  O2   C21  112.48  3.000
 F8H  C23  N5   C15  116.22  3.000
 F8H  H18  C23  N5   116.74  3.000
 F8H  H18  C23  N6   115.14  3.000
 F8H  N5   C23  N6   128.13  3.000
 F8H  H19  N4   C13  117.34  3.000
 F8H  H19  N4   C10  114.71  3.000
 F8H  C13  N4   C10  127.49  3.000
 F8H  H20  N3   C6   116.48  3.000
 F8H  H20  N3   C7   114.73  3.000
 F8H  C6   N3   C7   128.74  3.000
 F8H  C5   C6   O    121.94  3.000
 F8H  O    C6   N3   125.62  3.000
 F8H  C5   C6   N3   112.44  3.000
 F8H  N1   N    C4   111.02  3.000
 F8H  C4   N    C5   128.19  3.000
 F8H  N1   N    C5   120.62  3.000
 F8H  H23  C4   N    122.61  3.000
 F8H  H23  C4   C3   133.11  3.000
 F8H  N    C4   C3   104.28  3.000
 F8H  N2   N1   N    107.75  3.000
 F8H  N1   N2   C3   109.66  3.000
 F8H  H26  C    H25  108.05  3.000
 F8H  H26  C    H24  107.91  3.000
 F8H  H25  C    H24  107.95  3.000
 F8H  H26  C    C1   110.78  3.000
 F8H  H25  C    C1   111.52  3.000
 F8H  H24  C    C1   110.50  3.000
 F8H  H22  C5   H21  107.36  3.000
 F8H  H22  C5   N    108.70  3.000
 F8H  H21  C5   N    109.07  3.000
 F8H  H22  C5   C6   109.56  3.000
 F8H  H21  C5   C6   111.05  3.000
 F8H  N    C5   C6   111.00  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
 F8H  CONST_01  N    N1   N2   C3      0.00   0.0  0
 F8H  CONST_02  N1   N    C4   C3      0.00   0.0  0
 F8H  CONST_03  C19  C14  C13  N6    180.00   0.0  0
 F8H  CONST_04  C15  C14  C13  N6      0.00   0.0  0
 F8H  CONST_05  C15  N5   C23  N6      0.00   0.0  0
 F8H  CONST_06  C10  C9   C8   C7      0.00   0.0  0
 F8H  CONST_07  C10  C11  C12  C7      0.00   0.0  0
 F8H  CONST_08  C11  C10  C9   C8      0.00   0.0  0
 F8H  CONST_09  C11  C12  C7   C8      0.00   0.0  0
 F8H  CONST_10  C12  C7   C8   C9      0.00   0.0  0
 F8H  CONST_11  C12  C11  C10  C9      0.00   0.0  0
 F8H  CONST_12  N5   C23  N6   C13     0.00   0.0  0
 F8H  CONST_13  C18  C19  C14  C13   180.00   0.0  0
 F8H  CONST_14  N5   C15  C14  C13     0.00   0.0  0
 F8H  CONST_15  C16  C15  C14  C13   180.00   0.0  0
 F8H  CONST_16  C23  N6   C13  C14     0.00   0.0  0
 F8H  CONST_17  C17  C18  C19  C14     0.00   0.0  0
 F8H  CONST_18  C23  N5   C15  C14     0.00   0.0  0
 F8H  CONST_19  C17  C16  C15  C14     0.00   0.0  0
 F8H  CONST_20  C18  C19  C14  C15     0.00   0.0  0
 F8H  CONST_21  C18  C17  C16  C15     0.00   0.0  0
 F8H  CONST_22  C19  C14  C15  C16     0.00   0.0  0
 F8H  CONST_23  C23  N5   C15  C16   180.00   0.0  0
 F8H  CONST_24  C19  C18  C17  C16     0.00   0.0  0
 F8H  CONST_25  N5   C15  C14  C19   180.00   0.0  0
 F8H  CONST_26  N5   C15  C16  C17   180.00   0.0  0
 F8H  CONST_27  N2   C3   C4   N       0.00   0.0  0
 F8H  CONST_28  N2   N1   N    C4      0.00   0.0  0
 F8H  CONST_29  N1   N2   C3   C4      0.00   0.0  0
 F8H  CONST_30  N1   N2   C3   C1    180.00   0.0  0
 F8H  CONST_31  N    C4   C3   C1    180.00   0.0  0
 F8H  CONST_32  C5   N    C4   C3    180.00   0.0  0
 F8H  CONST_33  N4   C10  C9   C8    180.00   0.0  0
 F8H  CONST_34  N3   C7   C8   C9    180.00   0.0  0
 F8H  CONST_35  N3   C7   C12  C11   180.00   0.0  0
 F8H  CONST_36  N4   C10  C11  C12   180.00   0.0  0
 F8H  CONST_37  F    C19  C14  C13     0.00   0.0  0
 F8H  CONST_38  N4   C13  C14  C15   180.00   0.0  0
 F8H  CONST_39  F    C19  C14  C15   180.00   0.0  0
 F8H  CONST_40  O1   C17  C16  C15   180.00   0.0  0
 F8H  CONST_41  N4   C13  C14  C19     0.00   0.0  0
 F8H  CONST_42  O1   C17  C18  C19   180.00   0.0  0
 F8H  CONST_43  C17  C18  C19  F     180.00   0.0  0
 F8H  CONST_44  N4   C13  N6   C23   180.00   0.0  0
 F8H  CONST_45  N2   N1   N    C5    180.00   0.0  0
 F8H  CONST_46  H6   C9   C8   C7    180.00   0.0  0
 F8H  CONST_47  H7   C11  C12  C7    180.00   0.0  0
 F8H  CONST_48  H8   C12  C7   C8    180.00   0.0  0
 F8H  CONST_49  H5   C8   C9   C10   180.00   0.0  0
 F8H  CONST_50  H18  C23  N6   C13   180.00   0.0  0
 F8H  CONST_51  H17  C18  C19  C14   180.00   0.0  0
 F8H  CONST_52  H9   C16  C15  C14   180.00   0.0  0
 F8H  CONST_53  H23  C4   N    N1    180.00   0.0  0
 F8H  CONST_54  C6   N3   C7   C8      0.00   0.0  0
 F8H  CONST_55  C6   N3   C7   C12   180.00   0.0  0
 F8H  CONST_56  H20  N3   C7   C8    180.00   0.0  0
 F8H  CONST_57  C5   C6   N3   C7    180.00   0.0  0
 F8H  CONST_58  O    C6   N3   C7      0.00   0.0  0
 F8H  Var_01    C10  N4   C13  N6      1.04  30.0  1
 F8H  Var_02    C13  N4   C10  C9   -143.13  30.0  2
 F8H  Var_03    N2   C3   C1   C2   -156.43  30.0  2
 F8H  Var_04    C18  C17  O1   C20     1.23  30.0  2
 F8H  Var_05    N1   N    C5   C6    -86.91  30.0  2
 F8H  Var_06    N    C5   C6   N3   -171.19  30.0  1
 F8H  Var_07    H24  C    C1   C3   -175.89  30.0  3
 F8H  Var_08    H2   C2   C1   C3    -64.09  30.0  3
 F8H  Var_09    H10  C20  O1   C17    60.35  30.0  3
 F8H  Var_10    O2   C21  C20  O1     65.83  30.0  3
 F8H  Var_11    H14  C22  O2   C21   -60.67  30.0  3
 F8H  Var_12    H12  C21  O2   C22    61.66  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
 F8H  plan-1  C1   0.020
 F8H  plan-1  C3   0.020
 F8H  plan-1  N    0.020
 F8H  plan-1  C4   0.020
 F8H  plan-1  N1   0.020
 F8H  plan-1  N2   0.020
 F8H  plan-1  H23  0.020
 F8H  plan-1  C5   0.020
 F8H  plan-2  C7   0.020
 F8H  plan-2  C8   0.020
 F8H  plan-2  C9   0.020
 F8H  plan-2  C10  0.020
 F8H  plan-2  C11  0.020
 F8H  plan-2  C12  0.020
 F8H  plan-2  N4   0.020
 F8H  plan-2  N3   0.020
 F8H  plan-2  H5   0.020
 F8H  plan-2  H6   0.020
 F8H  plan-2  H7   0.020
 F8H  plan-2  H8   0.020
 F8H  plan-3  N6   0.020
 F8H  plan-3  C13  0.020
 F8H  plan-3  C14  0.020
 F8H  plan-3  C15  0.020
 F8H  plan-3  C16  0.020
 F8H  plan-3  C19  0.020
 F8H  plan-3  F    0.020
 F8H  plan-3  C18  0.020
 F8H  plan-3  C17  0.020
 F8H  plan-3  O1   0.020
 F8H  plan-3  N5   0.020
 F8H  plan-3  C23  0.020
 F8H  plan-3  N4   0.020
 F8H  plan-3  H9   0.020
 F8H  plan-3  H17  0.020
 F8H  plan-3  H18  0.020
 F8H  plan-4  C7   0.020
 F8H  plan-4  N3   0.020
 F8H  plan-4  C6   0.020
 F8H  plan-4  O    0.020
 F8H  plan-4  H20  0.020
 F8H  plan-4  C5   0.020

