# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Thu May  7 17:32:38 2020
#   Inital geometry file: a 157 line input string
#   Ligand name: 5-[(5R)-5-[(7-fluoro-1,1-dimethyl-2,3-dihydro-1H-inden-5-yl)carbamoyl]-2-methoxy-7,8-dihydro-1,6-naphthyridin-6(5H)-yl]-5-oxopentanoic acid
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: COc1ccc2[C@@H](N(CCc2n1)C(=O)CCCC(O)=O)C(=O)Nc3cc(F)c4c(CCC4(C)C)c3
#
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
 HQ7  HQ7  '5-[(5R)-5-[(7-fluoro-1,1-dimethyl-2,3-dihydro-1H-inden-5-yl)carbamoyl]-2-methoxy-7,8-dihydro-1,6-naphthyridin-6(5H)-yl]-5-oxopentanoic acid'  ligand  65  35  .  2021-08-11  2023-02-16
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as OK (reasonable std)
;

data_comp_HQ7
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
 HQ7  C4   C  CR16  0  -0.389   0.2063  -3.9747   1.5068
 HQ7  C5   C  CR16  0  -0.164   0.3555  -2.6229   1.6976
 HQ7  C6   C  CR66  0  -0.056   0.9962  -1.8376   0.7323
 HQ7  C7   C  CR16  0  -0.297   1.1790  -0.3550   0.9419
 HQ7  C10  C  C     0  -0.357   2.0733  -0.2266  -1.2971
 HQ7  C17  C  CH2   0  -0.411   5.5712   1.8802   0.3563
 HQ7  C22  C  C     0   0.562  -0.0679   0.5279   0.7179
 HQ7  C26  C  CR16  0  -0.390  -2.7470   1.7403  -0.0887
 HQ7  C28  C  CH2   0  -0.499  -4.5535   3.5046  -0.6593
 HQ7  C1   C  CH3   0  -0.418   1.1237  -6.4024  -1.0426
 HQ7  C3   C  CR6   0   0.525   0.7306  -4.5158   0.3246
 HQ7  N9   N  NR6   0  -0.460   2.2331   0.1483   0.0953
 HQ7  C11  C  C     0  -0.492   2.2394  -1.7290  -1.4527
 HQ7  C12  C  CR66  0   0.247   1.4852  -2.4812  -0.3955
 HQ7  N13  N  N     0  -0.486   1.3496  -3.7960  -0.5824
 HQ7  C14  C  C     0   0.590   3.3083   0.7800   0.6298
 HQ7  O15  O  O     0  -0.488   3.3920   1.0042   1.8272
 HQ7  C16  C  CH2   0  -0.615   4.4066   1.1857  -0.3317
 HQ7  C18  C  CH2   0  -0.583   6.6578   2.2137  -0.6525
 HQ7  C19  C  C     0   0.552   7.8396   2.9185  -0.0474
 HQ7  O20  O  OH1   0  -0.598   8.7525   3.2274  -0.9641
 HQ7  O21  O  O     0  -0.444   7.9694   3.1821   1.1222
 HQ7  O23  O  O     0  -0.450   0.0318   1.7331   0.8315
 HQ7  N24  N  NH1   0  -0.758  -1.2095  -0.1248   0.4109
 HQ7  C25  C  CR6   0   0.386  -2.4943   0.4044   0.2236
 HQ7  C27  C  CR56  0   0.110  -4.0615   2.1386  -0.2720
 HQ7  C29  C  CH2   0  -0.438  -6.0481   3.4348  -0.3296
 HQ7  C30  C  CR5   0  -0.131  -6.4542   1.9469  -0.4558
 HQ7  C31  C  CH3   0  -0.649  -7.5846   1.6079   0.5120
 HQ7  C32  C  CH3   0  -0.636  -6.8766   1.6187  -1.8922
 HQ7  C33  C  CR56  0  -0.075  -5.1367   1.2637  -0.1532
 HQ7  C34  C  CR6   0   0.513  -4.8484  -0.0540   0.1342
 HQ7  F35  F  F     0  -0.310  -5.8418  -0.9545   0.2299
 HQ7  C36  C  CR16  0  -0.515  -3.5557  -0.4964   0.3339
 HQ7  H1   H  HCR6  0   0.277  -0.2845  -4.6012   2.2387
 HQ7  H2   H  HCR6  0   0.282  -0.0237  -2.1642   2.6033
 HQ7  H3   H  HCR6  0   0.323   1.4638  -0.1798   1.9822
 HQ7  H4   H  H     0   0.268   1.0762   0.0774  -1.6301
 HQ7  H5   H  H     0   0.293   2.7763   0.3073  -1.9288
 HQ7  H6   H  HCH2  0   0.239   5.2241   2.7934   0.8418
 HQ7  H7   H  HCH2  0   0.239   5.9786   1.2406   1.1402
 HQ7  H8   H  HCR6  0   0.271  -1.9471   2.4549  -0.1972
 HQ7  H9   H  HCH2  0   0.256  -4.0384   4.3083  -0.1317
 HQ7  H10  H  HCH2  0   0.252  -4.3832   3.6688  -1.7278
 HQ7  H11  H  HCH3  0   0.231   0.6694  -5.9832  -1.9410
 HQ7  H12  H  HCH3  0   0.231   2.2043  -6.2677  -1.1020
 HQ7  H13  H  HCH3  0   0.247   0.8964  -7.4636  -0.9858
 HQ7  H14  H  H     0   0.269   1.9017  -2.0450  -2.4411
 HQ7  H15  H  H     0   0.268   3.2985  -1.9980  -1.3829
 HQ7  H16  H  HCH2  0   0.276   3.9882   1.8405  -1.1018
 HQ7  H17  H  HCH2  0   0.271   4.7607   0.2952  -0.8618
 HQ7  H18  H  HCH2  0   0.280   7.0220   1.3049  -1.1430
 HQ7  H19  H  HCH2  0   0.278   6.2641   2.8407  -1.4589
 HQ7  H20  H  HOH1  0   0.479   9.5008   3.6790  -0.5464
 HQ7  H21  H  HNH1  0   0.424  -1.1477  -1.1291   0.3350
 HQ7  H22  H  HCH2  0   0.241  -6.2017   3.7589   0.7033
 HQ7  H23  H  HCH2  0   0.238  -6.6579   4.0788  -0.9652
 HQ7  H24  H  HCH3  0   0.229  -8.4340   2.2695   0.3304
 HQ7  H25  H  HCH3  0   0.231  -7.9383   0.5842   0.3924
 HQ7  H26  H  HCH3  0   0.227  -7.2727   1.7443   1.5487
 HQ7  H27  H  HCH3  0   0.230  -6.1061   1.9002  -2.6125
 HQ7  H28  H  HCH3  0   0.231  -7.0702   0.5516  -2.0122
 HQ7  H29  H  HCH3  0   0.230  -7.7908   2.1554  -2.1543
 HQ7  H30  H  HCR6  0   0.282  -3.3782  -1.5375   0.5759
 HQ7  O2   O  O2    0  -0.470   0.5849  -5.8267   0.1396

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
 HQ7  C28  C29  single    1.532  0.020  1.532
 HQ7  C28  C27  single    1.503  0.020  1.503
 HQ7  O2   C1   single    1.421  0.020  1.421
 HQ7  O2   C3   single    1.332  0.020  1.332
 HQ7  C4   C3   aromatic  1.402  0.020  1.402
 HQ7  C4   C5   aromatic  1.373  0.020  1.373
 HQ7  C29  C30  single    1.547  0.020  1.547
 HQ7  C3   N13  aromatic  1.313  0.020  1.313
 HQ7  C5   C6   aromatic  1.399  0.020  1.399
 HQ7  C27  C26  aromatic  1.386  0.020  1.386
 HQ7  C27  C33  aromatic  1.391  0.020  1.391
 HQ7  C26  C25  aromatic  1.395  0.020  1.395
 HQ7  C31  C30  single    1.526  0.020  1.526
 HQ7  C30  C33  single    1.515  0.020  1.515
 HQ7  C30  C32  single    1.533  0.020  1.533
 HQ7  N13  C12  aromatic  1.335  0.020  1.335
 HQ7  C33  C34  aromatic  1.379  0.020  1.379
 HQ7  C6   C12  aromatic  1.388  0.020  1.388
 HQ7  C6   C7   single    1.508  0.020  1.508
 HQ7  N24  C25  single    1.402  0.020  1.402
 HQ7  N24  C22  single    1.350  0.020  1.350
 HQ7  C25  C36  aromatic  1.396  0.020  1.396
 HQ7  C12  C11  single    1.501  0.020  1.501
 HQ7  C7   C22  single    1.544  0.020  1.544
 HQ7  C7   N9   single    1.443  0.020  1.443
 HQ7  C22  O23  double    1.215  0.020  1.215
 HQ7  C34  C36  aromatic  1.381  0.020  1.381
 HQ7  C34  F35  single    1.344  0.020  1.344
 HQ7  N9   C10  single    1.451  0.020  1.451
 HQ7  N9   C14  single    1.357  0.020  1.357
 HQ7  C11  C10  single    1.520  0.020  1.520
 HQ7  O15  C14  double    1.221  0.020  1.221
 HQ7  C14  C16  single    1.515  0.020  1.515
 HQ7  C16  C17  single    1.520  0.020  1.520
 HQ7  C17  C18  single    1.520  0.020  1.520
 HQ7  C18  C19  single    1.503  0.020  1.503
 HQ7  O21  C19  double    1.206  0.020  1.206
 HQ7  C19  O20  single    1.330  0.020  1.330
 HQ7  C4   H1   single    0.930  0.020  1.080
 HQ7  C5   H2   single    0.930  0.020  1.080
 HQ7  C7   H3   single    0.970  0.020  1.090
 HQ7  C10  H4   single    0.970  0.020  1.090
 HQ7  C10  H5   single    0.970  0.020  1.090
 HQ7  C17  H6   single    0.970  0.020  1.090
 HQ7  C17  H7   single    0.970  0.020  1.090
 HQ7  C26  H8   single    0.930  0.020  1.080
 HQ7  C28  H9   single    0.970  0.020  1.090
 HQ7  C28  H10  single    0.970  0.020  1.090
 HQ7  C1   H11  single    0.970  0.020  1.090
 HQ7  C1   H12  single    0.970  0.020  1.090
 HQ7  C1   H13  single    0.970  0.020  1.090
 HQ7  C11  H14  single    0.970  0.020  1.090
 HQ7  C11  H15  single    0.970  0.020  1.090
 HQ7  C16  H16  single    0.970  0.020  1.090
 HQ7  C16  H17  single    0.970  0.020  1.090
 HQ7  C18  H18  single    0.970  0.020  1.090
 HQ7  C18  H19  single    0.970  0.020  1.090
 HQ7  O20  H20  single    0.850  0.020  0.980
 HQ7  N24  H21  single    0.860  0.020  1.020
 HQ7  C29  H22  single    0.970  0.020  1.090
 HQ7  C29  H23  single    0.970  0.020  1.090
 HQ7  C31  H24  single    0.970  0.020  1.090
 HQ7  C31  H25  single    0.970  0.020  1.090
 HQ7  C31  H26  single    0.970  0.020  1.090
 HQ7  C32  H27  single    0.970  0.020  1.090
 HQ7  C32  H28  single    0.970  0.020  1.090
 HQ7  C32  H29  single    0.970  0.020  1.090
 HQ7  C36  H30  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
 HQ7  H1   C4   C3   121.12  3.000
 HQ7  H1   C4   C5   121.72  3.000
 HQ7  C3   C4   C5   117.16  3.000
 HQ7  H2   C5   C6   119.94  3.000
 HQ7  H2   C5   C4   119.64  3.000
 HQ7  C6   C5   C4   120.41  3.000
 HQ7  C12  C6   C7   121.74  3.000
 HQ7  C7   C6   C5   120.74  3.000
 HQ7  C12  C6   C5   117.50  3.000
 HQ7  H3   C7   N9   108.20  3.000
 HQ7  H3   C7   C22  104.89  3.000
 HQ7  N9   C7   C22  107.79  3.000
 HQ7  H3   C7   C6   108.75  3.000
 HQ7  N9   C7   C6   110.48  3.000
 HQ7  C22  C7   C6   116.36  3.000
 HQ7  H5   C10  H4   106.05  3.000
 HQ7  H5   C10  C11  110.85  3.000
 HQ7  H4   C10  C11  110.07  3.000
 HQ7  H5   C10  N9   111.10  3.000
 HQ7  H4   C10  N9   108.70  3.000
 HQ7  C11  C10  N9   109.98  3.000
 HQ7  H7   C17  H6   106.85  3.000
 HQ7  H7   C17  C18  109.80  3.000
 HQ7  H6   C17  C18  109.83  3.000
 HQ7  H7   C17  C16  110.09  3.000
 HQ7  H6   C17  C16  109.87  3.000
 HQ7  C18  C17  C16  110.34  3.000
 HQ7  N24  C22  O23  124.77  3.000
 HQ7  O23  C22  C7   119.17  3.000
 HQ7  N24  C22  C7   116.05  3.000
 HQ7  H8   C26  C27  120.00  3.000
 HQ7  H8   C26  C25  121.52  3.000
 HQ7  C27  C26  C25  118.47  3.000
 HQ7  H10  C28  H9   106.76  3.000
 HQ7  H10  C28  C29  111.64  3.000
 HQ7  H9   C28  C29  112.97  3.000
 HQ7  H10  C28  C27  109.70  3.000
 HQ7  H9   C28  C27  112.99  3.000
 HQ7  C29  C28  C27  102.85  3.000
 HQ7  H13  C1   H12  109.31  3.000
 HQ7  H13  C1   H11  109.35  3.000
 HQ7  H12  C1   H11  108.69  3.000
 HQ7  H13  C1   O2   105.83  3.000
 HQ7  H12  C1   O2   111.78  3.000
 HQ7  H11  C1   O2   111.82  3.000
 HQ7  N13  C3   O2   119.69  3.000
 HQ7  N13  C3   C4   123.17  3.000
 HQ7  O2   C3   C4   117.14  3.000
 HQ7  C14  N9   C10  125.85  3.000
 HQ7  C14  N9   C7   120.68  3.000
 HQ7  C10  N9   C7   113.11  3.000
 HQ7  H15  C11  H14  106.62  3.000
 HQ7  H15  C11  C12  108.54  3.000
 HQ7  H14  C11  C12  109.72  3.000
 HQ7  H15  C11  C10  110.01  3.000
 HQ7  H14  C11  C10  110.19  3.000
 HQ7  C12  C11  C10  111.63  3.000
 HQ7  N13  C12  C11  116.50  3.000
 HQ7  C11  C12  C6   121.14  3.000
 HQ7  N13  C12  C6   122.33  3.000
 HQ7  C12  N13  C3   119.42  3.000
 HQ7  C16  C14  O15  121.56  3.000
 HQ7  C16  C14  N9   116.69  3.000
 HQ7  O15  C14  N9   121.75  3.000
 HQ7  H17  C16  H16  105.63  3.000
 HQ7  H17  C16  C14  108.89  3.000
 HQ7  H16  C16  C14  109.26  3.000
 HQ7  H17  C16  C17  110.05  3.000
 HQ7  H16  C16  C17  109.76  3.000
 HQ7  C14  C16  C17  112.98  3.000
 HQ7  H19  C18  H18  105.37  3.000
 HQ7  H19  C18  C19  108.10  3.000
 HQ7  H18  C18  C19  107.94  3.000
 HQ7  H19  C18  C17  110.95  3.000
 HQ7  H18  C18  C17  110.67  3.000
 HQ7  C19  C18  C17  113.44  3.000
 HQ7  O21  C19  O20  122.94  3.000
 HQ7  O20  C19  C18  111.78  3.000
 HQ7  O21  C19  C18  125.28  3.000
 HQ7  H20  O20  C19  109.96  3.000
 HQ7  H21  N24  C25  114.94  3.000
 HQ7  H21  N24  C22  116.51  3.000
 HQ7  C25  N24  C22  128.51  3.000
 HQ7  C36  C25  N24  116.26  3.000
 HQ7  C36  C25  C26  119.85  3.000
 HQ7  N24  C25  C26  123.87  3.000
 HQ7  C33  C27  C28  109.92  3.000
 HQ7  C33  C27  C26  122.75  3.000
 HQ7  C28  C27  C26  127.30  3.000
 HQ7  H23  C29  H22  107.27  3.000
 HQ7  H23  C29  C30  111.92  3.000
 HQ7  H22  C29  C30  108.97  3.000
 HQ7  H23  C29  C28  113.14  3.000
 HQ7  H22  C29  C28  109.07  3.000
 HQ7  C30  C29  C28  106.40  3.000
 HQ7  C33  C30  C32  109.29  3.000
 HQ7  C32  C30  C31  110.03  3.000
 HQ7  C33  C30  C31  114.67  3.000
 HQ7  C32  C30  C29  110.77  3.000
 HQ7  C33  C30  C29  100.90  3.000
 HQ7  C31  C30  C29  110.87  3.000
 HQ7  H26  C31  H25  108.33  3.000
 HQ7  H26  C31  H24  107.73  3.000
 HQ7  H25  C31  H24  107.36  3.000
 HQ7  H26  C31  C30  111.28  3.000
 HQ7  H25  C31  C30  112.31  3.000
 HQ7  H24  C31  C30  109.64  3.000
 HQ7  H29  C32  H28  107.80  3.000
 HQ7  H29  C32  H27  107.80  3.000
 HQ7  H28  C32  H27  107.75  3.000
 HQ7  H29  C32  C30  110.51  3.000
 HQ7  H28  C32  C30  111.18  3.000
 HQ7  H27  C32  C30  111.63  3.000
 HQ7  C34  C33  C30  130.87  3.000
 HQ7  C34  C33  C27  117.20  3.000
 HQ7  C30  C33  C27  111.81  3.000
 HQ7  C36  C34  F35  117.84  3.000
 HQ7  F35  C34  C33  120.03  3.000
 HQ7  C36  C34  C33  122.13  3.000
 HQ7  H30  C36  C34  119.56  3.000
 HQ7  H30  C36  C25  120.87  3.000
 HQ7  C34  C36  C25  119.57  3.000
 HQ7  C3   O2   C1   118.22  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
 HQ7  CONST_01  C12  N13  C3   C4      0.00   0.0  0
 HQ7  CONST_02  C12  C6   C5   C4      0.00   0.0  0
 HQ7  CONST_03  N13  C3   C4   C5      0.00   0.0  0
 HQ7  CONST_04  N13  C12  C6   C5      0.00   0.0  0
 HQ7  CONST_05  C3   C4   C5   C6      0.00   0.0  0
 HQ7  CONST_06  C3   N13  C12  C6      0.00   0.0  0
 HQ7  CONST_07  C34  C33  C27  C26     0.00   0.0  0
 HQ7  CONST_08  C34  C36  C25  C26     0.00   0.0  0
 HQ7  CONST_09  C33  C27  C26  C25     0.00   0.0  0
 HQ7  CONST_10  C33  C34  C36  C25     0.00   0.0  0
 HQ7  CONST_11  C36  C25  C26  C27     0.00   0.0  0
 HQ7  CONST_12  C36  C34  C33  C27     0.00   0.0  0
 HQ7  CONST_13  O2   C3   C4   C5    180.00   0.0  0
 HQ7  CONST_14  C12  N13  C3   O2    180.00   0.0  0
 HQ7  CONST_15  C27  C26  C25  N24   180.00   0.0  0
 HQ7  CONST_16  C34  C36  C25  N24   180.00   0.0  0
 HQ7  CONST_17  F35  C34  C36  C25   180.00   0.0  0
 HQ7  CONST_18  F35  C34  C33  C27   180.00   0.0  0
 HQ7  CONST_19  F35  C34  C33  C30     0.00   0.0  0
 HQ7  CONST_20  H1   C4   C5   C6    180.00   0.0  0
 HQ7  CONST_21  H2   C5   C6   C7      0.00   0.0  0
 HQ7  CONST_22  H30  C36  C25  C26   180.00   0.0  0
 HQ7  CONST_23  H8   C26  C27  C28     0.00   0.0  0
 HQ7  CONST_24  C25  N24  C22  C7    180.00   0.0  0
 HQ7  CONST_25  O15  C14  N9   C7      0.00   0.0  0
 HQ7  CONST_26  C16  C14  N9   C7    180.00   0.0  0
 HQ7  CONST_27  O15  C14  N9   C10   180.00   0.0  0
 HQ7  CONST_28  C16  C14  N9   C10     0.00   0.0  0
 HQ7  CONST_32  C25  N24  C22  O23     0.00   0.0  0
 HQ7  CONST_33  H20  O20  C19  C18   180.00   0.0  0
 HQ7  Var_01    C10  C11  C12  C6    -14.31  30.0  1
 HQ7  Var_02    C11  C10  N9   C7    -66.90  30.0  1
 HQ7  Var_03    C29  C28  C27  C26  -164.97  30.0  1
 HQ7  Var_04    C33  C30  C29  C28    27.13  30.0  1
 HQ7  Var_05    C12  C11  C10  N9     45.06  30.0  1
 HQ7  Var_06    C30  C29  C28  C27   -27.46  30.0  1
 HQ7  Var_07    C29  C30  C33  C27   -17.23  30.0  1
 HQ7  Var_08    N13  C3   O2   C1      0.58  30.0  2
 HQ7  Var_09    H24  C31  C30  C29    56.58  30.0  3
 HQ7  Var_10    H27  C32  C30  C29    54.07  30.0  3
 HQ7  Var_11    N9   C14  C16  C17  -179.75  30.0  1
 HQ7  Var_12    H11  C1   O2   C3    -61.21  30.0  3
 HQ7  Var_13    O21  C19  C18  C17     1.83  30.0  3
 HQ7  Var_14    C18  C17  C16  C14   177.90  30.0  3
 HQ7  Var_15    C19  C18  C17  C16   179.34  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
 HQ7  chir_01  C7  C6  C22  N9  positiv

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
 HQ7  plan-1  C26  0.020
 HQ7  plan-1  C28  0.020
 HQ7  plan-1  N24  0.020
 HQ7  plan-1  C25  0.020
 HQ7  plan-1  C27  0.020
 HQ7  plan-1  C30  0.020
 HQ7  plan-1  C33  0.020
 HQ7  plan-1  C34  0.020
 HQ7  plan-1  F35  0.020
 HQ7  plan-1  C36  0.020
 HQ7  plan-1  H8   0.020
 HQ7  plan-1  H30  0.020
 HQ7  plan-2  C4   0.020
 HQ7  plan-2  C5   0.020
 HQ7  plan-2  C6   0.020
 HQ7  plan-2  C7   0.020
 HQ7  plan-2  C3   0.020
 HQ7  plan-2  C11  0.020
 HQ7  plan-2  C12  0.020
 HQ7  plan-2  N13  0.020
 HQ7  plan-2  H1   0.020
 HQ7  plan-2  H2   0.020
 HQ7  plan-2  O2   0.020
 HQ7  plan-3  C7   0.020
 HQ7  plan-3  C22  0.020
 HQ7  plan-3  O23  0.020
 HQ7  plan-3  N24  0.020
 HQ7  plan-3  C25  0.020
 HQ7  plan-3  H21  0.020
 HQ7  plan-4  C7   0.020
 HQ7  plan-4  C10  0.020
 HQ7  plan-4  N9   0.020
 HQ7  plan-4  C14  0.020
 HQ7  plan-4  O15  0.020
 HQ7  plan-4  C16  0.020
 HQ7  plan-5  C18  0.020
 HQ7  plan-5  C19  0.020
 HQ7  plan-5  O20  0.020
 HQ7  plan-5  O21  0.020
 HQ7  plan-5  H20  0.020

