# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Fri Mar 18 12:56:59 2022
#   Inital geometry file: a 148 line input string
#   Ligand name: (6~{R})-7-[[3,4-bis(fluoranyl)phenyl]methyl]-6-(methoxymethyl)-2-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-5,6-dihydroimidazo[1,2-a]pyrazin-8-one
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: COC[C@H]1Cn2cc(nc2C(=O)N1Cc3ccc(F)c(F)c3)c4nc(Nc5ccnn5C)ncc4C
#
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
 LHZ  LHZ  (6~{R})-7-[[3,4-bis(fluoranyl)phenyl]methyl]-6-(methoxymethyl)-2-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-5,6-dihydroimidazo[1,2-a]pyrazin-8-one  ligand  60  36  .  2022-09-15  2022-09-16
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as OK (reasonable std)
;

data_comp_LHZ
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
 LHZ  C1   C  CR6   0  -0.019   -2.8985  -1.7211  -1.6240
 LHZ  C2   C  CR16  0  -0.043   -4.2250  -2.1245  -1.5811
 LHZ  C3   C  CR6   0   0.595   -4.7977  -0.4526  -0.2062
 LHZ  N6   N  N     0  -0.297   -9.1168   0.3914   1.4220
 LHZ  C7   C  CR5   0   0.353    0.7723   0.4074  -1.0051
 LHZ  C8   C  C     0   0.538    2.1715   0.3937  -1.4624
 LHZ  C9   C  CH1   0  -0.137    2.6279   1.7002   0.5674
 LHZ  C10  C  CH2   0  -0.260    1.2257   2.2894   0.4758
 LHZ  C11  C  CH2   0  -0.203    3.5699   2.7636   1.1022
 LHZ  C12  C  CH3   0  -0.399    4.5095   4.8498   0.6446
 LHZ  C14  C  CR6   0   0.153    5.0818  -0.2508  -0.6487
 LHZ  C15  C  CR16  0  -0.294    5.3938  -1.2456  -1.5683
 LHZ  C16  C  CR16  0  -0.393    5.9777  -2.4393  -1.1655
 LHZ  C19  C  CR16  0  -0.462    5.3668  -0.4699   0.6983
 LHZ  C20  C  CR5   0   0.663   -7.0578  -0.0422   0.6731
 LHZ  C21  C  CR15  0  -0.524   -7.8662  -1.0839   0.2540
 LHZ  C22  C  CR15  0  -0.067   -9.1317  -0.7442   0.7573
 LHZ  C17  C  CR6   0   0.384    6.2417  -2.6427   0.1713
 LHZ  C18  C  CR6   0   0.423    5.9370  -1.6595   1.0968
 LHZ  F    F  F     0  -0.306    6.2110  -1.8744   2.3881
 LHZ  N4   N  NT    0  -0.492    3.0362   1.1517  -0.7368
 LHZ  O1   O  O2    0  -0.479    3.6641   3.8195   0.1906
 LHZ  N2   N  NR5   0  -0.457    0.3422   1.2894  -0.0764
 LHZ  C6   C  CR15  0  -0.036   -0.9731   1.0766   0.1110
 LHZ  O    O  O     0  -0.460    2.4959  -0.2550  -2.4416
 LHZ  N3   N  N     0  -0.440   -0.1923  -0.3730  -1.4179
 LHZ  C5   C  CR5   0   0.052   -1.2944   0.0248  -0.7306
 LHZ  C4   C  CR6   0   0.212   -2.6163  -0.5805  -0.8537
 LHZ  C    C  CH3   0  -0.719   -1.9110  -2.4970  -2.4390
 LHZ  N1   N  N     0  -0.503   -3.5667   0.0358  -0.1568
 LHZ  N    N  N     0  -0.452   -5.1819  -1.5187  -0.8922
 LHZ  N5   N  NH1   0  -0.783   -5.7200   0.2396   0.5289
 LHZ  N7   N  NR5   0  -0.344   -7.8456   0.8129   1.3623
 LHZ  C23  C  CH3   0  -0.559   -7.4495   2.0516   1.9852
 LHZ  H1   H  HCR6  0   0.266   -4.5298  -3.0026  -2.1427
 LHZ  H2   H  HCH1  0   0.286    2.6120   0.8967   1.3148
 LHZ  H3   H  HCH2  0   0.290    0.8796   2.5629   1.4703
 LHZ  H4   H  HCH2  0   0.288    1.2095   3.1770  -0.1579
 LHZ  H5   H  HCH2  0   0.253    3.1655   3.0957   2.0691
 LHZ  H6   H  HCH2  0   0.237    4.5579   2.3389   1.3262
 LHZ  H7   H  HCH3  0   0.211    5.5300   4.4907   0.8194
 LHZ  H8   H  HCH3  0   0.240    4.5397   5.6199  -0.1240
 LHZ  H9   H  HCH3  0   0.213    4.1434   5.2979   1.5752
 LHZ  H12  H  HCR6  0   0.268    5.1839  -1.0915  -2.6175
 LHZ  H13  H  HCR6  0   0.292    6.2227  -3.2090  -1.8853
 LHZ  H14  H  HCR6  0   0.282    5.1691   0.2807   1.4537
 LHZ  H15  H  HCR5  0   0.269   -7.5842  -1.9440  -0.3228
 LHZ  H16  H  HCR5  0   0.255  -10.0518  -1.2992   0.6507
 LHZ  H17  H  HCR5  0   0.309   -1.5649   1.6512   0.8029
 LHZ  H18  H  HCH3  0   0.246   -1.4775  -1.8962  -3.2374
 LHZ  H19  H  HCH3  0   0.245   -1.0810  -2.8644  -1.8369
 LHZ  H20  H  HCH3  0   0.241   -2.4050  -3.3564  -2.8923
 LHZ  H21  H  HNH1  0   0.422   -5.3454   1.0381   1.0183
 LHZ  H22  H  HCH3  0   0.261   -7.0671   2.7595   1.2494
 LHZ  H23  H  HCH3  0   0.281   -8.3251   2.4844   2.4578
 LHZ  H24  H  HCH3  0   0.260   -6.6900   1.8869   2.7502
 LHZ  C13  C  CH2   0  -0.442    4.4449   1.0401  -1.1033
 LHZ  F1   F  F     0  -0.306    6.7980  -3.7840   0.5910
 LHZ  H10  H  HCH2  0   0.295    4.9835   1.8957  -0.7057
 LHZ  H11  H  HCH2  0   0.291    4.5209   1.1230  -2.1863

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
 LHZ  F1   C17  single    1.337  0.020  1.337
 LHZ  F    C18  single    1.337  0.020  1.337
 LHZ  C17  C18  aromatic  1.384  0.020  1.384
 LHZ  C17  C16  aromatic  1.378  0.020  1.378
 LHZ  C18  C19  aromatic  1.378  0.020  1.378
 LHZ  C16  C15  aromatic  1.389  0.020  1.389
 LHZ  C19  C14  aromatic  1.394  0.020  1.394
 LHZ  C15  C14  aromatic  1.390  0.020  1.390
 LHZ  C14  C13  single    1.510  0.020  1.510
 LHZ  O    C8   double    1.219  0.020  1.219
 LHZ  C    C1   single    1.497  0.020  1.497
 LHZ  C8   N4   single    1.360  0.020  1.360
 LHZ  C8   C7   single    1.472  0.020  1.472
 LHZ  C13  N4   single    1.460  0.020  1.460
 LHZ  C12  O1   single    1.408  0.020  1.408
 LHZ  N3   C7   aromatic  1.308  0.020  1.308
 LHZ  N3   C5   aromatic  1.358  0.020  1.358
 LHZ  C1   C2   aromatic  1.387  0.020  1.387
 LHZ  C1   C4   aromatic  1.405  0.020  1.405
 LHZ  C2   N    aromatic  1.326  0.020  1.326
 LHZ  N4   C9   single    1.473  0.020  1.473
 LHZ  O1   C11  single    1.398  0.020  1.398
 LHZ  C7   N2   aromatic  1.351  0.020  1.351
 LHZ  C4   C5   single    1.459  0.020  1.459
 LHZ  C4   N1   aromatic  1.330  0.020  1.330
 LHZ  C5   C6   aromatic  1.385  0.020  1.385
 LHZ  N    C3   aromatic  1.325  0.020  1.325
 LHZ  C11  C9   single    1.518  0.020  1.518
 LHZ  C9   C10  single    1.524  0.020  1.524
 LHZ  N2   C6   aromatic  1.346  0.020  1.346
 LHZ  N2   C10  single    1.444  0.020  1.444
 LHZ  N1   C3   aromatic  1.325  0.020  1.325
 LHZ  C3   N5   single    1.368  0.020  1.368
 LHZ  N5   C20  single    1.375  0.020  1.375
 LHZ  C23  N7   single    1.442  0.020  1.442
 LHZ  C20  N7   aromatic  1.352  0.020  1.352
 LHZ  C20  C21  aromatic  1.384  0.020  1.384
 LHZ  N7   N6   aromatic  1.341  0.020  1.341
 LHZ  C21  C22  aromatic  1.404  0.020  1.404
 LHZ  N6   C22  aromatic  1.316  0.020  1.316
 LHZ  C2   H1   single    0.930  0.020  1.080
 LHZ  C9   H2   single    0.970  0.020  1.090
 LHZ  C10  H3   single    0.970  0.020  1.090
 LHZ  C10  H4   single    0.970  0.020  1.090
 LHZ  C11  H5   single    0.970  0.020  1.090
 LHZ  C11  H6   single    0.970  0.020  1.090
 LHZ  C12  H7   single    0.970  0.020  1.090
 LHZ  C12  H8   single    0.970  0.020  1.090
 LHZ  C12  H9   single    0.970  0.020  1.090
 LHZ  C13  H10  single    0.970  0.020  1.090
 LHZ  C13  H11  single    0.970  0.020  1.090
 LHZ  C15  H12  single    0.930  0.020  1.080
 LHZ  C16  H13  single    0.930  0.020  1.080
 LHZ  C19  H14  single    0.930  0.020  1.080
 LHZ  C21  H15  single    0.930  0.020  1.080
 LHZ  C22  H16  single    0.930  0.020  1.080
 LHZ  C6   H17  single    0.930  0.020  1.080
 LHZ  C    H18  single    0.970  0.020  1.090
 LHZ  C    H19  single    0.970  0.020  1.090
 LHZ  C    H20  single    0.970  0.020  1.090
 LHZ  N5   H21  single    0.860  0.020  1.020
 LHZ  C23  H22  single    0.970  0.020  1.090
 LHZ  C23  H23  single    0.970  0.020  1.090
 LHZ  C23  H24  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
 LHZ  C    C1   C4   125.92  3.000
 LHZ  C4   C1   C2   114.28  3.000
 LHZ  C    C1   C2   119.79  3.000
 LHZ  H1   C2   N    115.83  3.000
 LHZ  H1   C2   C1   119.18  3.000
 LHZ  N    C2   C1   124.99  3.000
 LHZ  N5   C3   N    119.35  3.000
 LHZ  N5   C3   N1   114.82  3.000
 LHZ  N    C3   N1   125.83  3.000
 LHZ  N7   N6   C22  105.04  3.000
 LHZ  N3   C7   N2   111.82  3.000
 LHZ  N2   C7   C8   121.48  3.000
 LHZ  N3   C7   C8   126.69  3.000
 LHZ  O    C8   N4   123.80  3.000
 LHZ  N4   C8   C7   115.69  3.000
 LHZ  O    C8   C7   120.50  3.000
 LHZ  H2   C9   N4   109.54  3.000
 LHZ  H2   C9   C11  106.37  3.000
 LHZ  N4   C9   C11  113.64  3.000
 LHZ  H2   C9   C10  108.10  3.000
 LHZ  C11  C9   C10  108.75  3.000
 LHZ  N4   C9   C10  110.24  3.000
 LHZ  H4   C10  H3   108.77  3.000
 LHZ  H4   C10  N2   109.41  3.000
 LHZ  H3   C10  N2   109.21  3.000
 LHZ  H4   C10  C9   111.30  3.000
 LHZ  H3   C10  C9   109.57  3.000
 LHZ  N2   C10  C9   108.55  3.000
 LHZ  H6   C11  H5   105.56  3.000
 LHZ  H6   C11  O1   111.37  3.000
 LHZ  H5   C11  O1   111.72  3.000
 LHZ  H6   C11  C9   111.05  3.000
 LHZ  H5   C11  C9   107.05  3.000
 LHZ  O1   C11  C9   109.94  3.000
 LHZ  H9   C12  H8   108.64  3.000
 LHZ  H9   C12  H7   108.03  3.000
 LHZ  H8   C12  H7   108.58  3.000
 LHZ  H9   C12  O1   111.87  3.000
 LHZ  H8   C12  O1   107.86  3.000
 LHZ  H7   C12  O1   111.76  3.000
 LHZ  C19  C14  C15  118.74  3.000
 LHZ  C15  C14  C13  120.49  3.000
 LHZ  C19  C14  C13  120.77  3.000
 LHZ  H12  C15  C16  119.06  3.000
 LHZ  H12  C15  C14  119.77  3.000
 LHZ  C16  C15  C14  121.17  3.000
 LHZ  H13  C16  C17  119.81  3.000
 LHZ  H13  C16  C15  120.91  3.000
 LHZ  C17  C16  C15  119.28  3.000
 LHZ  H14  C19  C18  118.17  3.000
 LHZ  H14  C19  C14  121.84  3.000
 LHZ  C18  C19  C14  119.98  3.000
 LHZ  N7   C20  N5   119.40  3.000
 LHZ  N7   C20  C21  106.88  3.000
 LHZ  N5   C20  C21  133.72  3.000
 LHZ  H15  C21  C22  128.57  3.000
 LHZ  H15  C21  C20  127.78  3.000
 LHZ  C22  C21  C20  103.65  3.000
 LHZ  H16  C22  C21  127.48  3.000
 LHZ  H16  C22  N6   120.20  3.000
 LHZ  C21  C22  N6   112.32  3.000
 LHZ  C18  C17  F1   119.21  3.000
 LHZ  C18  C17  C16  120.11  3.000
 LHZ  F1   C17  C16  120.68  3.000
 LHZ  F    C18  C17  119.10  3.000
 LHZ  C17  C18  C19  120.72  3.000
 LHZ  F    C18  C19  120.18  3.000
 LHZ  C13  N4   C9   121.22  3.000
 LHZ  C9   N4   C8   120.26  3.000
 LHZ  C13  N4   C8   115.91  3.000
 LHZ  C12  O1   C11  112.51  3.000
 LHZ  C6   N2   C10  130.87  3.000
 LHZ  C10  N2   C7   121.34  3.000
 LHZ  C6   N2   C7   107.68  3.000
 LHZ  H17  C6   C5   131.95  3.000
 LHZ  H17  C6   N2   122.85  3.000
 LHZ  C5   C6   N2   105.20  3.000
 LHZ  C5   N3   C7   105.31  3.000
 LHZ  C4   C5   N3   124.81  3.000
 LHZ  C4   C5   C6   125.20  3.000
 LHZ  N3   C5   C6   109.98  3.000
 LHZ  N1   C4   C5   114.27  3.000
 LHZ  N1   C4   C1   121.32  3.000
 LHZ  C5   C4   C1   124.40  3.000
 LHZ  H20  C    H19  108.02  3.000
 LHZ  H20  C    H18  108.08  3.000
 LHZ  H19  C    H18  106.73  3.000
 LHZ  H20  C    C1   109.64  3.000
 LHZ  H19  C    C1   112.12  3.000
 LHZ  H18  C    C1   112.07  3.000
 LHZ  C4   N1   C3   118.26  3.000
 LHZ  C3   N    C2   115.31  3.000
 LHZ  H21  N5   C20  118.21  3.000
 LHZ  H21  N5   C3   114.27  3.000
 LHZ  C20  N5   C3   127.51  3.000
 LHZ  C23  N7   C20  127.13  3.000
 LHZ  C20  N7   N6   112.11  3.000
 LHZ  C23  N7   N6   120.75  3.000
 LHZ  H24  C23  H23  108.47  3.000
 LHZ  H24  C23  H22  109.10  3.000
 LHZ  H23  C23  H22  108.54  3.000
 LHZ  H24  C23  N7   111.38  3.000
 LHZ  H23  C23  N7   108.01  3.000
 LHZ  H22  C23  N7   111.26  3.000
 LHZ  H11  C13  H10  105.63  3.000
 LHZ  H11  C13  N4   108.13  3.000
 LHZ  H10  C13  N4   109.05  3.000
 LHZ  H11  C13  C14  109.59  3.000
 LHZ  H10  C13  C14  110.74  3.000
 LHZ  N4   C13  C14  113.38  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
 LHZ  CONST_01  C3   N    C2   C1      0.00   0.0  0
 LHZ  CONST_02  N3   C5   C4   C1      0.00   0.0  0
 LHZ  CONST_03  C6   C5   C4   C1    180.00   0.0  0
 LHZ  CONST_04  C3   N1   C4   C1      0.00   0.0  0
 LHZ  CONST_05  C5   C4   C1   C2    180.00   0.0  0
 LHZ  CONST_06  N1   C4   C1   C2      0.00   0.0  0
 LHZ  CONST_07  N1   C3   N    C2      0.00   0.0  0
 LHZ  CONST_08  C5   C4   N1   C3    180.00   0.0  0
 LHZ  CONST_09  C21  C20  N7   N6      0.00   0.0  0
 LHZ  CONST_10  C20  C21  C22  N6      0.00   0.0  0
 LHZ  CONST_11  C4   C5   N3   C7    180.00   0.0  0
 LHZ  CONST_12  C6   C5   N3   C7      0.00   0.0  0
 LHZ  CONST_13  C5   C6   N2   C7      0.00   0.0  0
 LHZ  CONST_14  C17  C18  C19  C14     0.00   0.0  0
 LHZ  CONST_15  C17  C16  C15  C14     0.00   0.0  0
 LHZ  CONST_16  C18  C17  C16  C15     0.00   0.0  0
 LHZ  CONST_17  C18  C19  C14  C15     0.00   0.0  0
 LHZ  CONST_18  C19  C18  C17  C16     0.00   0.0  0
 LHZ  CONST_19  C19  C14  C15  C16     0.00   0.0  0
 LHZ  CONST_20  C22  N6   N7   C20     0.00   0.0  0
 LHZ  CONST_21  N7   N6   C22  C21     0.00   0.0  0
 LHZ  CONST_22  N7   C20  C21  C22     0.00   0.0  0
 LHZ  CONST_23  C5   N3   C7   N2      0.00   0.0  0
 LHZ  CONST_24  N3   C5   C6   N2      0.00   0.0  0
 LHZ  CONST_25  C4   C5   C6   N2    180.00   0.0  0
 LHZ  CONST_26  N1   C4   C5   C6      0.00   0.0  0
 LHZ  CONST_27  N3   C7   N2   C6      0.00   0.0  0
 LHZ  CONST_28  N1   C4   C5   N3    180.00   0.0  0
 LHZ  CONST_29  N    C2   C1   C4      0.00   0.0  0
 LHZ  CONST_30  N    C3   N1   C4      0.00   0.0  0
 LHZ  CONST_31  C9   N4   C8   C7      0.00   0.0  0
 LHZ  CONST_32  N5   C3   N    C2    180.00   0.0  0
 LHZ  CONST_33  N5   C20  N7   N6    180.00   0.0  0
 LHZ  CONST_34  C18  C19  C14  C13   180.00   0.0  0
 LHZ  CONST_35  C16  C15  C14  C13   180.00   0.0  0
 LHZ  CONST_36  F    C18  C19  C14   180.00   0.0  0
 LHZ  CONST_37  F1   C17  C16  C15   180.00   0.0  0
 LHZ  CONST_38  F    C18  C17  C16   180.00   0.0  0
 LHZ  CONST_39  F1   C17  C18  C19   180.00   0.0  0
 LHZ  CONST_40  C23  N7   C20  C21   180.00   0.0  0
 LHZ  CONST_41  N5   C20  C21  C22   180.00   0.0  0
 LHZ  CONST_42  C23  N7   N6   C22   180.00   0.0  0
 LHZ  CONST_43  C    C1   C4   C5      0.00   0.0  0
 LHZ  CONST_44  N5   C3   N1   C4    180.00   0.0  0
 LHZ  CONST_45  N    C2   C1   C     180.00   0.0  0
 LHZ  CONST_46  N1   C4   C1   C     180.00   0.0  0
 LHZ  CONST_47  C13  N4   C8   C7    180.00   0.0  0
 LHZ  CONST_48  O    C8   N4   C9    180.00   0.0  0
 LHZ  CONST_49  H1   C2   N    C3    180.00   0.0  0
 LHZ  CONST_50  H15  C21  C22  N6    180.00   0.0  0
 LHZ  CONST_51  H17  C6   N2   C7    180.00   0.0  0
 LHZ  CONST_52  H13  C16  C15  C14   180.00   0.0  0
 LHZ  CONST_53  H14  C19  C14  C15   180.00   0.0  0
 LHZ  CONST_54  H12  C15  C14  C19   180.00   0.0  0
 LHZ  CONST_55  H16  C22  C21  C20   180.00   0.0  0
 LHZ  CONST_56  O    C8   N4   C13     0.00   0.0  0
 LHZ  Var_01    C9   C10  N2   C7    -34.21  30.0  1
 LHZ  Var_02    N3   C7   C8   N4   -169.85  30.0  1
 LHZ  Var_03    N7   C20  N5   C3   -175.05  30.0  2
 LHZ  Var_04    C14  C13  N4   C8    -74.46  30.0  3
 LHZ  Var_05    N4   C13  C14  C15   107.36  30.0  2
 LHZ  Var_06    N    C3   N5   C20     0.83  30.0  2
 LHZ  Var_07    H18  C    C1   C2    117.95  30.0  2
 LHZ  Var_08    H22  C23  N7   N6   -118.43  30.0  2
 LHZ  Var_09    H7   C12  O1   C11    59.86  30.0  3
 LHZ  Var_10    H5   C11  O1   C12    60.28  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
 LHZ  chir_01  C9  N4  C11  C10  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
 LHZ  plan-1  N6   0.020
 LHZ  plan-1  C20  0.020
 LHZ  plan-1  C21  0.020
 LHZ  plan-1  C22  0.020
 LHZ  plan-1  N5   0.020
 LHZ  plan-1  N7   0.020
 LHZ  plan-1  C23  0.020
 LHZ  plan-1  H15  0.020
 LHZ  plan-1  H16  0.020
 LHZ  plan-2  C1   0.020
 LHZ  plan-2  C2   0.020
 LHZ  plan-2  C3   0.020
 LHZ  plan-2  C5   0.020
 LHZ  plan-2  C4   0.020
 LHZ  plan-2  C    0.020
 LHZ  plan-2  N1   0.020
 LHZ  plan-2  N    0.020
 LHZ  plan-2  N5   0.020
 LHZ  plan-2  H1   0.020
 LHZ  plan-3  C7   0.020
 LHZ  plan-3  C8   0.020
 LHZ  plan-3  C10  0.020
 LHZ  plan-3  N2   0.020
 LHZ  plan-3  C6   0.020
 LHZ  plan-3  N3   0.020
 LHZ  plan-3  C5   0.020
 LHZ  plan-3  C4   0.020
 LHZ  plan-3  H17  0.020
 LHZ  plan-4  C14  0.020
 LHZ  plan-4  C15  0.020
 LHZ  plan-4  C16  0.020
 LHZ  plan-4  C19  0.020
 LHZ  plan-4  C17  0.020
 LHZ  plan-4  C18  0.020
 LHZ  plan-4  F    0.020
 LHZ  plan-4  H12  0.020
 LHZ  plan-4  H13  0.020
 LHZ  plan-4  H14  0.020
 LHZ  plan-4  C13  0.020
 LHZ  plan-4  F1   0.020
 LHZ  plan-5  C7   0.020
 LHZ  plan-5  C8   0.020
 LHZ  plan-5  C9   0.020
 LHZ  plan-5  N4   0.020
 LHZ  plan-5  O    0.020
 LHZ  plan-5  C13  0.020

