# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Sun Jul 31 20:45:21 2022
#   Inital geometry file: a 129 line input string
#   Ligand name: 6-ethyl-5-(4-{2-[2-(1H-tetrazol-5-yl)ethyl]phenoxy}butoxy)pyrimidine-2,4-diamine
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: CCc1nc(N)nc(N)c1OCCCCOc2ccccc2CCc3[nH]nnn3
#
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
 HXV  HXV  "6-ethyl-5-(4-{2-[2-(1H-tetrazol-5-yl)ethyl]phenoxy}butoxy)pyrimidine-2,4-diamine"
  ligand  55  29  .  2022-08-10  2022-08-10
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as PERFECT
;

data_comp_HXV
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
 HXV  C10   C  CR6   0   0.117  -28.2157  10.6937  -25.2962
 HXV  C13   C  CH2   0  -0.478  -29.4227   7.2885  -24.8214
 HXV  C15   C  CH2   0  -0.199  -28.9518   5.6203  -26.7178
 HXV  C17   C  CR6   0   0.360  -30.4881   5.6840  -28.5485
 HXV  C20   C  CH2   0  -0.524  -32.8141   7.8241  -27.6636
 HXV  C21   C  CR5   0   0.504  -33.0459   8.6579  -28.8671
 HXV  C26   C  CR16  0  -0.287  -32.1099   5.7608  -30.3140
 HXV  C28   C  CR16  0  -0.252  -29.8390   5.2065  -30.8190
 HXV  C01   C  CH3   0  -0.666  -28.4652  10.1324  -28.7696
 HXV  C02   C  CH2   0  -0.516  -29.2202  10.7739  -27.6069
 HXV  C03   C  CR6   0   0.231  -28.2920  11.2791  -26.5409
 HXV  C05   C  CR6   0   0.506  -26.6913  12.7764  -25.9382
 HXV  C08   C  CR6   0   0.435  -27.3014  11.2501  -24.3748
 HXV  C12   C  CH2   0  -0.156  -28.4703   8.3620  -25.3032
 HXV  C14   C  CH2   0  -0.477  -28.9806   5.8837  -25.2247
 HXV  C18   C  CR6   0   0.018  -31.8110   5.9022  -28.9661
 HXV  C19   C  CH2   0  -0.518  -32.8682   6.3208  -27.9846
 HXV  C27   C  CR16  0  -0.270  -31.1382   5.4167  -31.2470
 HXV  C29   C  CR16  0  -0.379  -29.5087   5.3346  -29.4741
 HXV  N04   N  N     0  -0.499  -27.5280  12.3296  -26.8671
 HXV  N06   N  NH2   0  -0.825  -25.8756  13.8082  -26.2833
 HXV  N07   N  N     0  -0.501  -26.5475  12.2919  -24.7034
 HXV  N09   N  NH2   0  -0.823  -27.1585  10.7225  -23.1430
 HXV  N22   N  N     0  -0.343  -32.1846   9.4258  -29.4920
 HXV  N23   N  N     0  -0.143  -32.8304   9.9537  -30.5336
 HXV  N24   N  N     0  -0.076  -34.0365   9.5478  -30.5788
 HXV  N25   N  NR15  0  -0.464  -34.1930   8.7375  -29.5459
 HXV  O11   O  O2    0  -0.496  -28.9875   9.6335  -24.9147
 HXV  O16   O  O2    0  -0.469  -30.2573   5.8291  -27.2297
 HXV  H132  H  HCH2  0   0.241  -29.4904   7.3336  -23.7316
 HXV  H131  H  HCH2  0   0.240  -30.4252   7.4924  -25.2054
 HXV  H151  H  HCH2  0   0.225  -28.2360   6.2793  -27.2216
 HXV  H152  H  HCH2  0   0.240  -28.6293   4.5899  -26.9045
 HXV  H201  H  HCH2  0   0.284  -33.5675   8.0604  -26.9092
 HXV  H202  H  HCH2  0   0.288  -31.8438   8.0928  -27.2468
 HXV  H261  H  HCR6  0   0.248  -33.1312   5.9196  -30.6416
 HXV  H281  H  HCR6  0   0.255  -29.0669   4.9350  -31.5273
 HXV  H013  H  HCH3  0   0.233  -29.1650   9.7860  -29.5295
 HXV  H011  H  HCH3  0   0.228  -27.7827  10.8423  -29.2358
 HXV  H012  H  HCH3  0   0.226  -27.8804   9.2725  -28.4398
 HXV  H021  H  HCH2  0   0.250  -29.7999  11.6213  -27.9811
 HXV  H022  H  HCH2  0   0.249  -29.9351  10.0645  -27.1903
 HXV  H121  H  HCH2  0   0.223  -28.3641   8.3281  -26.3926
 HXV  H122  H  HCH2  0   0.218  -27.4717   8.2094  -24.8751
 HXV  H142  H  HCH2  0   0.239  -27.9741   5.6883  -24.8440
 HXV  H141  H  HCH2  0   0.248  -29.6334   5.1507  -24.7454
 HXV  H192  H  HCH2  0   0.266  -32.7753   5.7733  -27.0462
 HXV  H191  H  HCH2  0   0.261  -33.8536   6.0767  -28.3870
 HXV  H271  H  HCR6  0   0.248  -31.3983   5.3123  -32.2919
 HXV  H291  H  HCR6  0   0.276  -28.4873   5.1558  -29.1669
 HXV  H062  H  HNH2  0   0.383  -26.1401  14.3478  -27.0898
 HXV  H061  H  HNH2  0   0.383  -25.4512  14.3300  -25.5355
 HXV  H091  H  HNH2  0   0.391  -26.6397  11.2488  -22.4603
 HXV  H092  H  HNH2  0   0.398  -27.8640  10.1010  -22.7868
 HXV  H251  H  HNR5  0   0.447  -35.0810   8.2870  -29.3680

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
 HXV  C02  C01   single    1.528  0.020  1.528
 HXV  C03  C02   single    1.501  0.020  1.501
 HXV  N04  C03   aromatic  1.339  0.020  1.339
 HXV  C05  N04   aromatic  1.328  0.020  1.328
 HXV  N06  C05   single    1.360  0.020  1.360
 HXV  N07  C05   aromatic  1.334  0.020  1.334
 HXV  C08  N07   aromatic  1.327  0.020  1.327
 HXV  N09  C08   single    1.348  0.020  1.348
 HXV  C10  C08   aromatic  1.412  0.020  1.412
 HXV  O11  C10   single    1.366  0.020  1.366
 HXV  C12  O11   single    1.427  0.020  1.427
 HXV  C13  C12   single    1.514  0.020  1.514
 HXV  C14  C13   single    1.527  0.020  1.527
 HXV  C15  C14   single    1.517  0.020  1.517
 HXV  O16  C15   single    1.418  0.020  1.418
 HXV  C17  O16   single    1.347  0.020  1.347
 HXV  C18  C17   aromatic  1.404  0.020  1.404
 HXV  C20  C19   single    1.538  0.020  1.538
 HXV  C21  C20   single    1.482  0.020  1.482
 HXV  N22  C21   aromatic  1.312  0.020  1.312
 HXV  N23  N22   aromatic  1.334  0.020  1.334
 HXV  N24  N23   aromatic  1.273  0.020  1.273
 HXV  N25  N24   aromatic  1.322  0.020  1.322
 HXV  C19  C18   single    1.502  0.020  1.502
 HXV  C26  C18   aromatic  1.388  0.020  1.388
 HXV  C27  C26   aromatic  1.390  0.020  1.390
 HXV  C28  C27   aromatic  1.384  0.020  1.384
 HXV  C29  C28   aromatic  1.391  0.020  1.391
 HXV  C03  C10   aromatic  1.378  0.020  1.378
 HXV  C17  C29   aromatic  1.392  0.020  1.392
 HXV  C21  N25   aromatic  1.335  0.020  1.335
 HXV  C13  H132  single    0.970  0.020  1.090
 HXV  C13  H131  single    0.970  0.020  1.090
 HXV  C15  H151  single    0.970  0.020  1.090
 HXV  C15  H152  single    0.970  0.020  1.090
 HXV  C20  H201  single    0.970  0.020  1.090
 HXV  C20  H202  single    0.970  0.020  1.090
 HXV  C26  H261  single    0.930  0.020  1.080
 HXV  C28  H281  single    0.930  0.020  1.080
 HXV  C01  H013  single    0.970  0.020  1.090
 HXV  C01  H011  single    0.970  0.020  1.090
 HXV  C01  H012  single    0.970  0.020  1.090
 HXV  C02  H021  single    0.970  0.020  1.090
 HXV  C02  H022  single    0.970  0.020  1.090
 HXV  C12  H121  single    0.970  0.020  1.090
 HXV  C12  H122  single    0.970  0.020  1.090
 HXV  C14  H142  single    0.970  0.020  1.090
 HXV  C14  H141  single    0.970  0.020  1.090
 HXV  C19  H192  single    0.970  0.020  1.090
 HXV  C19  H191  single    0.970  0.020  1.090
 HXV  C27  H271  single    0.930  0.020  1.080
 HXV  C29  H291  single    0.930  0.020  1.080
 HXV  N06  H062  single    0.890  0.020  1.040
 HXV  N06  H061  single    0.890  0.020  1.040
 HXV  N09  H091  single    0.890  0.020  1.040
 HXV  N09  H092  single    0.890  0.020  1.040
 HXV  N25  H251  single    0.860  0.020  1.020

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
 HXV  O11   C10  C08   119.30  3.000
 HXV  O11   C10  C03   123.43  3.000
 HXV  C08   C10  C03   117.26  3.000
 HXV  H131  C13  H132  106.62  3.000
 HXV  H131  C13  C14   110.15  3.000
 HXV  H132  C13  C14   108.62  3.000
 HXV  H131  C13  C12   109.45  3.000
 HXV  H132  C13  C12   109.09  3.000
 HXV  C14   C13  C12   112.72  3.000
 HXV  H152  C15  H151  107.15  3.000
 HXV  H152  C15  O16   110.37  3.000
 HXV  H151  C15  O16   110.30  3.000
 HXV  H152  C15  C14   109.67  3.000
 HXV  H151  C15  C14   111.14  3.000
 HXV  O16   C15  C14   108.21  3.000
 HXV  O16   C17  C29   123.89  3.000
 HXV  C29   C17  C18   120.27  3.000
 HXV  O16   C17  C18   115.84  3.000
 HXV  H202  C20  H201  107.26  3.000
 HXV  H202  C20  C19   110.62  3.000
 HXV  H201  C20  C19   109.36  3.000
 HXV  H202  C20  C21   108.12  3.000
 HXV  H201  C20  C21   109.35  3.000
 HXV  C19   C20  C21   112.01  3.000
 HXV  N25   C21  N22   106.67  3.000
 HXV  N25   C21  C20   125.49  3.000
 HXV  N22   C21  C20   127.82  3.000
 HXV  H261  C26  C27   119.46  3.000
 HXV  H261  C26  C18   118.77  3.000
 HXV  C27   C26  C18   121.77  3.000
 HXV  H281  C28  C29   119.11  3.000
 HXV  H281  C28  C27   120.35  3.000
 HXV  C29   C28  C27   120.54  3.000
 HXV  H012  C01  H011  107.88  3.000
 HXV  H012  C01  H013  107.73  3.000
 HXV  H011  C01  H013  108.13  3.000
 HXV  H012  C01  C02   111.46  3.000
 HXV  H011  C01  C02   111.20  3.000
 HXV  H013  C01  C02   110.30  3.000
 HXV  H022  C02  H021  106.72  3.000
 HXV  H022  C02  C03   110.68  3.000
 HXV  H021  C02  C03   108.08  3.000
 HXV  H022  C02  C01   109.98  3.000
 HXV  H021  C02  C01   109.09  3.000
 HXV  C03   C02  C01   112.10  3.000
 HXV  N04   C03  C02   116.35  3.000
 HXV  N04   C03  C10   121.45  3.000
 HXV  C02   C03  C10   122.20  3.000
 HXV  N07   C05  N06   116.47  3.000
 HXV  N07   C05  N04   126.39  3.000
 HXV  N06   C05  N04   117.12  3.000
 HXV  N09   C08  N07   118.25  3.000
 HXV  N09   C08  C10   120.72  3.000
 HXV  N07   C08  C10   121.02  3.000
 HXV  H122  C12  H121  107.19  3.000
 HXV  H122  C12  O11   110.35  3.000
 HXV  H121  C12  O11   109.50  3.000
 HXV  H122  C12  C13   110.47  3.000
 HXV  H121  C12  C13   110.83  3.000
 HXV  O11   C12  C13   108.50  3.000
 HXV  H141  C14  H142  106.10  3.000
 HXV  H141  C14  C15   109.07  3.000
 HXV  H142  C14  C15   107.11  3.000
 HXV  H141  C14  C13   109.17  3.000
 HXV  H142  C14  C13   109.81  3.000
 HXV  C15   C14  C13   115.17  3.000
 HXV  C19   C18  C26   120.76  3.000
 HXV  C26   C18  C17   118.41  3.000
 HXV  C19   C18  C17   120.80  3.000
 HXV  H191  C19  H192  106.36  3.000
 HXV  H191  C19  C18   109.39  3.000
 HXV  H192  C19  C18   111.25  3.000
 HXV  H191  C19  C20   109.09  3.000
 HXV  H192  C19  C20   107.95  3.000
 HXV  C18   C19  C20   112.58  3.000
 HXV  H271  C27  C28   120.65  3.000
 HXV  H271  C27  C26   120.26  3.000
 HXV  C28   C27  C26   119.08  3.000
 HXV  H291  C29  C28   118.94  3.000
 HXV  H291  C29  C17   121.13  3.000
 HXV  C28   C29  C17   119.93  3.000
 HXV  C05   N04  C03   116.94  3.000
 HXV  H061  N06  H062  115.39  3.000
 HXV  H061  N06  C05   117.26  3.000
 HXV  H062  N06  C05   116.92  3.000
 HXV  C08   N07  C05   116.93  3.000
 HXV  H092  N09  H091  116.42  3.000
 HXV  H092  N09  C08   119.43  3.000
 HXV  H091  N09  C08   118.04  3.000
 HXV  N23   N22  C21   106.59  3.000
 HXV  N24   N23  N22   111.10  3.000
 HXV  N25   N24  N23   106.25  3.000
 HXV  H251  N25  N24   120.95  3.000
 HXV  H251  N25  C21   129.66  3.000
 HXV  N24   N25  C21   109.39  3.000
 HXV  C12   O11  C10   114.26  3.000
 HXV  C17   O16  C15   119.70  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
 HXV  CONST_01  C05   N07  C08  C10     0.00   0.0  0
 HXV  CONST_02  C05   N04  C03  C10     0.00   0.0  0
 HXV  CONST_03  C27   C26  C18  C17     0.00   0.0  0
 HXV  CONST_04  C27   C28  C29  C17     0.00   0.0  0
 HXV  CONST_05  N24   N23  N22  C21     0.00   0.0  0
 HXV  CONST_06  N23   N24  N25  C21     0.00   0.0  0
 HXV  CONST_07  C29   C17  C18  C26     0.00   0.0  0
 HXV  CONST_08  C29   C28  C27  C26     0.00   0.0  0
 HXV  CONST_09  C18   C26  C27  C28     0.00   0.0  0
 HXV  CONST_10  C18   C17  C29  C28     0.00   0.0  0
 HXV  CONST_11  N07   C05  N04  C03     0.00   0.0  0
 HXV  CONST_12  N07   C08  C10  C03     0.00   0.0  0
 HXV  CONST_13  N04   C05  N07  C08     0.00   0.0  0
 HXV  CONST_14  N04   C03  C10  C08     0.00   0.0  0
 HXV  CONST_15  N24   N25  C21  N22     0.00   0.0  0
 HXV  CONST_16  N25   N24  N23  N22     0.00   0.0  0
 HXV  CONST_17  N25   C21  N22  N23     0.00   0.0  0
 HXV  CONST_18  N23   N22  C21  C20   180.00   0.0  0
 HXV  CONST_19  N24   N25  C21  C20   180.00   0.0  0
 HXV  CONST_20  O16   C17  C18  C26   180.00   0.0  0
 HXV  CONST_21  O16   C17  C29  C28   180.00   0.0  0
 HXV  CONST_22  C05   N04  C03  C02   180.00   0.0  0
 HXV  CONST_23  C08   C10  C03  C02   180.00   0.0  0
 HXV  CONST_24  N06   C05  N04  C03   180.00   0.0  0
 HXV  CONST_25  N09   C08  C10  C03   180.00   0.0  0
 HXV  CONST_26  N09   C08  N07  C05   180.00   0.0  0
 HXV  CONST_27  N06   C05  N07  C08   180.00   0.0  0
 HXV  CONST_28  C29   C17  C18  C19   180.00   0.0  0
 HXV  CONST_29  C27   C26  C18  C19   180.00   0.0  0
 HXV  CONST_30  O11   C10  C03  N04   180.00   0.0  0
 HXV  CONST_31  O11   C10  C08  N07   180.00   0.0  0
 HXV  CONST_32  H261  C26  C18  C17   180.00   0.0  0
 HXV  CONST_33  H281  C28  C29  C17   180.00   0.0  0
 HXV  CONST_34  H281  C28  C27  C26   180.00   0.0  0
 HXV  CONST_35  H261  C26  C27  C28   180.00   0.0  0
 HXV  CONST_36  H291  C29  C17  C18   180.00   0.0  0
 HXV  CONST_37  H271  C27  C26  C18   180.00   0.0  0
 HXV  CONST_38  H291  C29  C28  C27   180.00   0.0  0
 HXV  CONST_39  H271  C27  C28  C29   180.00   0.0  0
 HXV  CONST_40  H251  N25  C21  N22   180.00   0.0  0
 HXV  CONST_41  H251  N25  N24  N23   180.00   0.0  0
 HXV  CONST_42  H091  N09  C08  C10   180.00   0.0  0
 HXV  CONST_48  H091  N09  C08  N07     0.00   0.0  0
 HXV  Var_01    C01   C02  C03  C10  -111.04  30.0  2
 HXV  Var_02    C18   C17  O16  C15   179.63  30.0  1
 HXV  Var_03    C29   C17  O16  C15    -0.07  30.0  1
 HXV  Var_04    C20   C19  C18  C17    79.84  30.0  2
 HXV  Var_05    C26   C18  C19  C20   -98.22  30.0  2
 HXV  Var_06    C18   C19  C20  C21    61.56  30.0  3
 HXV  Var_07    N04   C03  C02  C01    68.46  30.0  2
 HXV  Var_08    C12   O11  C10  C03    84.44  30.0  2
 HXV  Var_09    C12   O11  C10  C08   -96.72  30.0  2
 HXV  Var_10    N22   C21  C20  C19  -111.28  30.0  3
 HXV  Var_11    N25   C21  C20  C19    66.94  30.0  3
 HXV  Var_12    H021  C02  C03  C10   128.70  30.0  2
 HXV  Var_13    H022  C02  C03  C10    12.16  30.0  2
 HXV  Var_14    H192  C19  C18  C17   -41.48  30.0  2
 HXV  Var_15    H191  C19  C18  C17  -158.70  30.0  2
 HXV  Var_16    H192  C19  C18  C26   140.46  30.0  2
 HXV  Var_17    H191  C19  C18  C26    23.24  30.0  2
 HXV  Var_18    H021  C02  C03  N04   -51.80  30.0  2
 HXV  Var_19    H022  C02  C03  N04  -168.34  30.0  2
 HXV  Var_20    H201  C20  C21  N22   127.33  30.0  2
 HXV  Var_21    H202  C20  C21  N22    10.86  30.0  2
 HXV  Var_22    H201  C20  C21  N25   -54.45  30.0  2
 HXV  Var_23    H202  C20  C21  N25  -170.92  30.0  2
 HXV  Var_24    C13   C12  O11  C10  -179.84  30.0  2
 HXV  Var_25    C14   C15  O16  C17   178.62  30.0  3
 HXV  Var_26    H121  C12  O11  C10   -58.76  30.0  2
 HXV  Var_27    H122  C12  O11  C10    59.00  30.0  2
 HXV  Var_28    H151  C15  O16  C17    56.86  30.0  3
 HXV  Var_29    H152  C15  O16  C17   -61.36  30.0  3
 HXV  Var_30    H192  C19  C20  C21  -175.25  30.0  3
 HXV  Var_31    H191  C19  C20  C21   -60.07  30.0  3
 HXV  Var_32    H013  C01  C02  C03  -179.42  30.0  3
 HXV  Var_33    H011  C01  C02  C03   -59.46  30.0  3
 HXV  Var_34    H012  C01  C02  C03    60.96  30.0  3
 HXV  Var_35    H201  C20  C19  C18  -177.06  30.0  2
 HXV  Var_36    H202  C20  C19  C18   -59.14  30.0  2
 HXV  Var_37    O16   C15  C14  C13   -59.24  30.0  1
 HXV  Var_38    C12   C13  C14  C15   -63.97  30.0  3
 HXV  Var_39    O11   C12  C13  C14   178.27  30.0  3
 HXV  Var_40    H151  C15  C14  C13    62.01  30.0  1
 HXV  Var_41    H152  C15  C14  C13  -179.69  30.0  1
 HXV  Var_42    H132  C13  C14  C15   175.02  30.0  3
 HXV  Var_43    H131  C13  C14  C15    58.59  30.0  3
 HXV  Var_44    H142  C14  C13  C12    57.02  30.0  2
 HXV  Var_45    H141  C14  C13  C12   172.96  30.0  2
 HXV  Var_46    H121  C12  C13  C14    58.01  30.0  3
 HXV  Var_47    H122  C12  C13  C14   -60.65  30.0  3
 HXV  Var_48    H132  C13  C12  O11   -60.99  30.0  1
 HXV  Var_49    H131  C13  C12  O11    55.31  30.0  1
 HXV  Var_50    H142  C14  C15  O16   178.31  30.0  3
 HXV  Var_51    H141  C14  C15  O16    63.89  30.0  3

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
 HXV  plan-1  C20   0.020
 HXV  plan-1  C21   0.020
 HXV  plan-1  N22   0.020
 HXV  plan-1  N23   0.020
 HXV  plan-1  N24   0.020
 HXV  plan-1  N25   0.020
 HXV  plan-1  H251  0.020
 HXV  plan-2  C17   0.020
 HXV  plan-2  C26   0.020
 HXV  plan-2  C28   0.020
 HXV  plan-2  C18   0.020
 HXV  plan-2  C19   0.020
 HXV  plan-2  C27   0.020
 HXV  plan-2  C29   0.020
 HXV  plan-2  O16   0.020
 HXV  plan-2  H261  0.020
 HXV  plan-2  H281  0.020
 HXV  plan-2  H271  0.020
 HXV  plan-2  H291  0.020
 HXV  plan-3  C10   0.020
 HXV  plan-3  C02   0.020
 HXV  plan-3  C03   0.020
 HXV  plan-3  C05   0.020
 HXV  plan-3  C08   0.020
 HXV  plan-3  N04   0.020
 HXV  plan-3  N06   0.020
 HXV  plan-3  N07   0.020
 HXV  plan-3  N09   0.020
 HXV  plan-3  O11   0.020
 HXV  plan-4  C05   0.020
 HXV  plan-4  N06   0.020
 HXV  plan-4  H062  0.020
 HXV  plan-4  H061  0.020
 HXV  plan-5  C08   0.020
 HXV  plan-5  N09   0.020
 HXV  plan-5  H091  0.020
 HXV  plan-5  H092  0.020

