# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Wed May  6 20:15:51 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  64  35  .  2021-08-11  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_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   0.1782  -3.8801   1.7350
 HQ7  C5   C  CR16   0  -0.156   0.3524  -2.5223   1.8380
 HQ7  C6   C  CR6    0  -0.064   1.0055  -1.8132   0.8227
 HQ7  C7   C  CH1    0  -0.295   1.2225  -0.3260   0.9443
 HQ7  C10  C  CH2    0  -0.357   2.0621  -0.3528  -1.3233
 HQ7  C17  C  CH2    0  -0.397   5.6497   1.7758   0.0999
 HQ7  C22  C  C      0   0.566  -0.0197   0.5633   0.7256
 HQ7  C26  C  CR16   0  -0.401  -2.7834   1.7738   0.3165
 HQ7  C28  C  CH2    0  -0.498  -4.6758   3.5333   0.1630
 HQ7  C1   C  CH3    0  -0.418   1.0518  -6.4867  -0.6473
 HQ7  C3   C  CR6    0   0.525   0.6888  -4.5062   0.5890
 HQ7  N9   N  NT     0  -0.461   2.2534   0.1169   0.0360
 HQ7  C11  C  CH2    0  -0.492   2.2230  -1.8629  -1.3772
 HQ7  C12  C  CR6    0   0.248   1.4732  -2.5359  -0.2650
 HQ7  N13  N  N      0  -0.486   1.3134  -3.8578  -0.3665
 HQ7  C14  C  C      0   0.587   3.3582   0.7555   0.5047
 HQ7  O15  O  O      0  -0.489   3.4743   1.0442   1.6855
 HQ7  C16  C  CH2    0  -0.611   4.4367   1.0852  -0.5064
 HQ7  C18  C  CH2    0  -0.585   6.7108   2.0474  -0.9542
 HQ7  C19  C  C      0   0.413   7.9857   2.7478  -0.4515
 HQ7  O20  O  OC    -1  -0.633   8.7895   3.1176  -1.3337
 HQ7  O21  O  O      0  -0.608   8.1298   2.8815   0.7796
 HQ7  O23  O  O      0  -0.450   0.0792   1.7658   0.8681
 HQ7  N24  N  NH1    0  -0.758  -1.1538  -0.0837   0.3787
 HQ7  C25  C  CR6    0   0.393  -2.4310   0.4353   0.1349
 HQ7  C27  C  CR6    0   0.113  -4.0923   2.1519   0.0627
 HQ7  C29  C  CH2    0  -0.439  -6.1849   3.2667   0.1680
 HQ7  C30  C  CT     0  -0.126  -6.3977   1.9389  -0.5990
 HQ7  C31  C  CH3    0  -0.652  -7.6018   1.1827  -0.0443
 HQ7  C32  C  CH3    0  -0.636  -6.5846   2.2005  -2.0978
 HQ7  C33  C  CR6    0  -0.077  -5.0671   1.2565  -0.3640
 HQ7  C34  C  CR6    0   0.518  -4.6780  -0.0530  -0.5555
 HQ7  F35  F  F      0  -0.310  -5.5662  -0.9599  -0.9976
 HQ7  C36  C  CR16   0  -0.526  -3.3895  -0.4804  -0.3071
 HQ7  H1   H  HCR6   0   0.277  -0.3210  -4.4495   2.5067
 HQ7  H2   H  HCR6   0   0.280  -0.0167  -1.9993   2.7124
 HQ7  H3   H  HCH1   0   0.321   1.5504  -0.1033   1.9624
 HQ7  H4   H  HCH2   0   0.267   1.0586  -0.0698  -1.6551
 HQ7  H5   H  HCH2   0   0.293   2.7523   0.1355  -2.0043
 HQ7  H6   H  HCH2   0   0.215   5.3434   2.7138   0.5676
 HQ7  H7   H  HCH2   0   0.215   6.0692   1.1578   0.8950
 HQ7  H8   H  HCR6   0   0.276  -2.0634   2.5037   0.6493
 HQ7  H9   H  HCH2   0   0.255  -4.3350   4.0726   1.0478
 HQ7  H10  H  HCH2   0   0.252  -4.3723   4.1281  -0.7037
 HQ7  H11  H  HCH3   0   0.231   0.6040  -6.1227  -1.5726
 HQ7  H12  H  HCH3   0   0.231   2.1343  -6.3726  -0.7141
 HQ7  H13  H  HCH3   0   0.247   0.8081  -7.5380  -0.5190
 HQ7  H14  H  HCH2   0   0.268   1.8763  -2.2457  -2.3386
 HQ7  H15  H  HCH2   0   0.268   3.2821  -2.1297  -1.2979
 HQ7  H16  H  HCH2   0   0.267   4.0075   1.7131  -1.2937
 HQ7  H17  H  HCH2   0   0.262   4.7478   0.1620  -1.0079
 HQ7  H18  H  HCH2   0   0.222   7.0126   1.1024  -1.4229
 HQ7  H19  H  HCH2   0   0.216   6.2870   2.6438  -1.7700
 HQ7  H21  H  HNH1   0   0.423  -1.0690  -1.0803   0.2426
 HQ7  H22  H  HCH2   0   0.241  -6.5219   3.1392   1.2001
 HQ7  H23  H  HCH2   0   0.238  -6.7649   4.0834  -0.2643
 HQ7  H24  H  HCH3   0   0.230  -8.4861   1.8226  -0.0751
 HQ7  H25  H  HCH3   0   0.231  -7.8305   0.2845  -0.6171
 HQ7  H26  H  HCH3   0   0.227  -7.4432   0.8915   0.9954
 HQ7  H27  H  HCH3   0   0.231  -5.7794   2.8160  -2.5036
 HQ7  H28  H  HCH3   0   0.230  -6.6058   1.2674  -2.6633
 HQ7  H29  H  HCH3   0   0.230  -7.5273   2.7205  -2.2811
 HQ7  H30  H  HCR6   0   0.284  -3.1352  -1.5226  -0.4601
 HQ7  O2   O  O2     0  -0.470   0.5214  -5.8241   0.4924

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    1.548  0.020  1.548
 HQ7  C3   N13  aromatic  1.313  0.020  1.313
 HQ7  C5   C6   aromatic  1.400  0.020  1.400
 HQ7  C27  C26  aromatic  1.386  0.020  1.386
 HQ7  C27  C33  aromatic  1.391  0.020  1.391
 HQ7  C26  C25  aromatic  1.396  0.020  1.396
 HQ7  C31  C30  single    1.526  0.020  1.526
 HQ7  C30  C33  single    1.514  0.020  1.514
 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  1.387  0.020  1.387
 HQ7  C6   C7   single    1.508  0.020  1.508
 HQ7  N24  C25  single    1.400  0.020  1.400
 HQ7  N24  C22  single    1.351  0.020  1.351
 HQ7  C25  C36  aromatic  1.397  0.020  1.397
 HQ7  C12  C11  single    1.501  0.020  1.501
 HQ7  C7   C22  single    1.543  0.020  1.543
 HQ7  C7   N9   single    1.444  0.020  1.444
 HQ7  C22  O23  double    1.215  0.020  1.215
 HQ7  C34  C36  aromatic  1.380  0.020  1.380
 HQ7  C34  F35  single    1.344  0.020  1.344
 HQ7  N9   C10  single    1.451  0.020  1.451
 HQ7  N9   C14  single    1.359  0.020  1.359
 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    1.522  0.020  1.522
 HQ7  C17  C18  single    1.520  0.020  1.520
 HQ7  C18  C19  single    1.539  0.020  1.539
 HQ7  O21  C19  deloc     1.247  0.020  1.247
 HQ7  C19  O20  deloc     1.249  0.020  1.249
 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  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   121.09  3.000
 HQ7  H1   C4   C5   121.73  3.000
 HQ7  C3   C4   C5   117.18  3.000
 HQ7  H2   C5   C6   119.97  3.000
 HQ7  H2   C5   C4   119.65  3.000
 HQ7  C6   C5   C4   120.38  3.000
 HQ7  C12  C6   C7   121.91  3.000
 HQ7  C7   C6   C5   120.54  3.000
 HQ7  C12  C6   C5   117.52  3.000
 HQ7  H3   C7   N9   108.03  3.000
 HQ7  H3   C7   C22  104.85  3.000
 HQ7  N9   C7   C22  107.99  3.000
 HQ7  H3   C7   C6   108.62  3.000
 HQ7  N9   C7   C6   110.77  3.000
 HQ7  C22  C7   C6   116.17  3.000
 HQ7  H5   C10  H4   106.06  3.000
 HQ7  H5   C10  C11  110.94  3.000
 HQ7  H4   C10  C11  110.08  3.000
 HQ7  H5   C10  N9   110.99  3.000
 HQ7  H4   C10  N9   108.74  3.000
 HQ7  C11  C10  N9   109.94  3.000
 HQ7  H7   C17  H6   106.40  3.000
 HQ7  H7   C17  C18  109.76  3.000
 HQ7  H6   C17  C18  109.84  3.000
 HQ7  H7   C17  C16  109.86  3.000
 HQ7  H6   C17  C16  109.69  3.000
 HQ7  C18  C17  C16  111.18  3.000
 HQ7  N24  C22  O23  124.92  3.000
 HQ7  O23  C22  C7   119.22  3.000
 HQ7  N24  C22  C7   115.86  3.000
 HQ7  H8   C26  C27  120.17  3.000
 HQ7  H8   C26  C25  121.39  3.000
 HQ7  C27  C26  C25  118.44  3.000
 HQ7  H10  C28  H9   106.68  3.000
 HQ7  H10  C28  C29  111.73  3.000
 HQ7  H9   C28  C29  113.02  3.000
 HQ7  H10  C28  C27  109.82  3.000
 HQ7  H9   C28  C27  112.79  3.000
 HQ7  C29  C28  C27  102.86  3.000
 HQ7  H13  C1   H12  109.33  3.000
 HQ7  H13  C1   H11  109.33  3.000
 HQ7  H12  C1   H11  108.71  3.000
 HQ7  H13  C1   O2   105.82  3.000
 HQ7  H12  C1   O2   111.77  3.000
 HQ7  H11  C1   O2   111.82  3.000
 HQ7  N13  C3   O2   119.72  3.000
 HQ7  N13  C3   C4   123.20  3.000
 HQ7  O2   C3   C4   117.08  3.000
 HQ7  C14  N9   C10  125.61  3.000
 HQ7  C14  N9   C7   120.50  3.000
 HQ7  C10  N9   C7   113.33  3.000
 HQ7  H15  C11  H14  106.60  3.000
 HQ7  H15  C11  C12  108.67  3.000
 HQ7  H14  C11  C12  109.69  3.000
 HQ7  H15  C11  C10  110.00  3.000
 HQ7  H14  C11  C10  110.26  3.000
 HQ7  C12  C11  C10  111.50  3.000
 HQ7  N13  C12  C11  116.58  3.000
 HQ7  C11  C12  C6   121.07  3.000
 HQ7  N13  C12  C6   122.34  3.000
 HQ7  C12  N13  C3   119.38  3.000
 HQ7  C16  C14  O15  121.76  3.000
 HQ7  C16  C14  N9   116.79  3.000
 HQ7  O15  C14  N9   121.45  3.000
 HQ7  H17  C16  H16  105.39  3.000
 HQ7  H17  C16  C14  108.92  3.000
 HQ7  H16  C16  C14  109.01  3.000
 HQ7  H17  C16  C17  109.78  3.000
 HQ7  H16  C16  C17  109.80  3.000
 HQ7  C14  C16  C17  113.60  3.000
 HQ7  H19  C18  H18  104.90  3.000
 HQ7  H19  C18  C19  108.41  3.000
 HQ7  H18  C18  C19  107.67  3.000
 HQ7  H19  C18  C17  110.09  3.000
 HQ7  H18  C18  C17  109.54  3.000
 HQ7  C19  C18  C17  115.66  3.000
 HQ7  O21  C19  O20  126.24  3.000
 HQ7  O20  C19  C18  115.91  3.000
 HQ7  O21  C19  C18  117.84  3.000
 HQ7  H21  N24  C25  114.78  3.000
 HQ7  H21  N24  C22  115.91  3.000
 HQ7  C25  N24  C22  129.27  3.000
 HQ7  C36  C25  N24  115.97  3.000
 HQ7  C36  C25  C26  119.76  3.000
 HQ7  N24  C25  C26  124.27  3.000
 HQ7  C33  C27  C28  109.89  3.000
 HQ7  C33  C27  C26  122.85  3.000
 HQ7  C28  C27  C26  127.24  3.000
 HQ7  H23  C29  H22  107.31  3.000
 HQ7  H23  C29  C30  111.87  3.000
 HQ7  H22  C29  C30  108.99  3.000
 HQ7  H23  C29  C28  113.08  3.000
 HQ7  H22  C29  C28  109.08  3.000
 HQ7  C30  C29  C28  106.44  3.000
 HQ7  C33  C30  C32  109.63  3.000
 HQ7  C32  C30  C31  110.10  3.000
 HQ7  C33  C30  C31  114.44  3.000
 HQ7  C32  C30  C29  110.79  3.000
 HQ7  C33  C30  C29  100.89  3.000
 HQ7  C31  C30  C29  110.70  3.000
 HQ7  H26  C31  H25  108.15  3.000
 HQ7  H26  C31  H24  107.51  3.000
 HQ7  H25  C31  H24  107.36  3.000
 HQ7  H26  C31  C30  111.33  3.000
 HQ7  H25  C31  C30  112.52  3.000
 HQ7  H24  C31  C30  109.77  3.000
 HQ7  H29  C32  H28  107.66  3.000
 HQ7  H29  C32  H27  107.81  3.000
 HQ7  H28  C32  H27  107.69  3.000
 HQ7  H29  C32  C30  110.52  3.000
 HQ7  H28  C32  C30  111.29  3.000
 HQ7  H27  C32  C30  111.69  3.000
 HQ7  C34  C33  C30  130.87  3.000
 HQ7  C34  C33  C27  117.14  3.000
 HQ7  C30  C33  C27  111.93  3.000
 HQ7  C36  C34  F35  117.85  3.000
 HQ7  F35  C34  C33  119.99  3.000
 HQ7  C36  C34  C33  122.16  3.000
 HQ7  H30  C36  C34  119.44  3.000
 HQ7  H30  C36  C25  120.92  3.000
 HQ7  C34  C36  C25  119.63  3.000
 HQ7  C3   O2   C1   118.20  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_29  C26  C25  N24  C22     0.00   0.0  0
 HQ7  CONST_30  C36  C25  N24  C22   180.00   0.0  0
 HQ7  CONST_31  H21  N24  C25  C26   180.00   0.0  0
 HQ7  CONST_32  C25  N24  C22  O23     0.00   0.0  0
 HQ7  Var_01    C10  C11  C12  C6    -14.86  30.0  1
 HQ7  Var_02    C11  C10  N9   C7    -66.66  30.0  1
 HQ7  Var_03    C29  C28  C27  C26  -164.33  30.0  1
 HQ7  Var_04    C33  C30  C29  C28    26.88  30.0  1
 HQ7  Var_05    C12  C11  C10  N9     45.93  30.0  1
 HQ7  Var_06    C30  C29  C28  C27   -27.28  30.0  1
 HQ7  Var_07    C29  C30  C33  C27   -17.00  30.0  1
 HQ7  Var_08    N13  C3   O2   C1      0.98  30.0  2
 HQ7  Var_09    H24  C31  C30  C29    55.64  30.0  3
 HQ7  Var_10    H27  C32  C30  C29    52.23  30.0  3
 HQ7  Var_11    N9   C14  C16  C17  -178.95  30.0  1
 HQ7  Var_12    H11  C1   O2   C3    -61.31  30.0  3
 HQ7  Var_13    O21  C19  C18  C17     9.00  30.0  3
 HQ7  Var_14    C18  C17  C16  C14   178.49  30.0  3
 HQ7  Var_15    C19  C18  C17  C16   179.90  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

