# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Fri Apr 17 07:29:39 2020
#   Inital geometry file: a 153 line input string
#   Ligand name: (2~{S})-2-cyclohexyl-4-oxidanylidene-4-[[7-(4-phenyl-1,3-thiazol-2-yl)quinolin-2-yl]amino]butanoic acid
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: OC(=O)[C@@H](CC(=O)Nc1ccc2ccc(cc2n1)c3scc(n3)c4ccccc4)C5CCCCC5
#
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
 7DX  7DX  '(2~{S})-2-cyclohexyl-4-oxidanylidene-4-[[7-(4-phenyl-1,3-thiazol-2-yl)quinolin-2-yl]amino]butanoic acid'  ligand  61  35  .  2021-08-05  2021-08-05  
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as PERFECT
;

data_comp_7DX
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
 7DX  C4   C  CR16   0  -0.240    8.2651   0.2313  -0.6238
 7DX  C5   C  CR6    0  -0.053    7.9063  -0.4915   0.5110
 7DX  C6   C  CR5    0   0.347    6.5045  -0.5553   0.9275
 7DX  C8   C  CR5    0   0.035    4.3736  -0.0177   0.6924
 7DX  C10  C  CR16   0  -0.299    3.3834   1.4992  -0.9852
 7DX  C13  C  CR66   0   0.292    0.8009   0.9858  -0.0255
 7DX  C15  C  CR6    0   0.529   -1.4681   1.2901  -0.0846
 7DX  C17  C  C      0   0.480   -3.2025  -0.1287   0.9612
 7DX  C20  C  CH1    0  -0.204   -7.0980  -0.3607   0.3609
 7DX  C21  C  CH2    0  -0.410   -8.0120  -0.6182  -0.8455
 7DX  C22  C  CH2    0  -0.407   -9.4956  -0.5651  -0.4798
 7DX  C24  C  CH2    0  -0.433   -8.9504  -1.2823   1.8433
 7DX  C26  C  C      0   0.469   -5.2917   0.5749  -1.1411
 7DX  C23  C  CH2    0  -0.449   -9.8399  -1.5372   0.6349
 7DX  C25  C  CH2    0  -0.451   -7.4642  -1.3303   1.4776
 7DX  C19  C  CH1    0  -0.299   -5.5947  -0.4310  -0.0146
 7DX  C18  C  CH2    0  -0.574   -4.7039  -0.1585   1.2303
 7DX  O29  O  O      0  -0.499   -2.4852  -1.0526   1.2772
 7DX  N16  N  NH1    0  -0.689   -2.7517   1.0126   0.3734
 7DX  C30  C  CR16   0  -0.401   -1.3702   2.2225  -1.1528
 7DX  C31  C  CR16   0  -0.156   -0.1367   2.5191  -1.6444
 7DX  N14  N  N      0  -0.459   -0.4385   0.7004   0.4606
 7DX  C32  C  CR16   0  -0.403    1.9202   0.3628   0.5647
 7DX  C12  C  CR66   0  -0.016    1.0053   1.8931  -1.0921
 7DX  C11  C  CR16   0  -0.236    2.3165   2.1367  -1.5492
 7DX  C9   C  CR6    0   0.093    3.1942   0.5997   0.0919
 7DX  N7   N  N      0  -0.435    5.5698   0.1495   0.2307
 7DX  S33  S  S2     0   0.195    4.3039  -1.0482   2.0806
 7DX  C34  C  CR15   0  -0.563    5.9815  -1.3148   1.9411
 7DX  C35  C  CR16   0  -0.196    8.9070  -1.1401   1.2377
 7DX  C1   C  CR16   0  -0.285   10.2279  -1.0775   0.8306
 7DX  C2   C  CR16   0  -0.236   10.5755  -0.3618  -0.3080
 7DX  C3   C  CR16   0  -0.239    9.5885   0.2938  -1.0299
 7DX  H1   H  HCR6   0   0.265    7.5050   0.7497  -1.1930
 7DX  H3   H  HCR6   0   0.260    4.3857   1.6858  -1.3471
 7DX  H4   H  HCH1   0   0.247   -7.2939   0.6594   0.7210
 7DX  H5   H  HCH2   0   0.267   -7.8172   0.1069  -1.6365
 7DX  H6   H  HCH2   0   0.163   -7.7763  -1.6030  -1.2666
 7DX  H7   H  HCH2   0   0.171   -9.7515   0.4503  -0.1586
 7DX  H8   H  HCH2   0   0.258  -10.1033  -0.7713  -1.3652
 7DX  H9   H  HCH2   0   0.218   -9.1825  -0.2963   2.2604
 7DX  H10  H  HCH2   0   0.258   -9.1622  -2.0058   2.6345
 7DX  H11  H  HCH2   0   0.189  -10.8938  -1.4489   0.9116
 7DX  H12  H  HCH2   0   0.201   -9.6938  -2.5640   0.2802
 7DX  H13  H  HCH2   0   0.219   -7.1991  -2.3461   1.1571
 7DX  H14  H  HCH2   0   0.237   -6.8754  -1.1241   2.3758
 7DX  H15  H  HCH1   0   0.243   -5.3820  -1.4467  -0.3768
 7DX  H17  H  HCH2   0   0.281   -4.8761  -0.9380   1.9743
 7DX  H18  H  HCH2   0   0.255   -5.0255   0.7878   1.6718
 7DX  H19  H  HNH1   0   0.435   -3.4971   1.5879  -0.0308
 7DX  H20  H  HCR6   0   0.267   -2.2644   2.6636  -1.5679
 7DX  H21  H  HCR6   0   0.263   -0.0237   3.2257  -2.4568
 7DX  H22  H  HCR6   0   0.245    1.7375  -0.3148   1.3897
 7DX  H23  H  HCR6   0   0.267    2.4672   2.8299  -2.3678
 7DX  H24  H  HCR5   0   0.298    6.4841  -1.9920   2.6144
 7DX  H26  H  HCR6   0   0.272    8.6667  -1.6951   2.1351
 7DX  H27  H  HCR6   0   0.248   10.9888  -1.5867   1.4071
 7DX  H28  H  HCR6   0   0.235   11.6084  -0.3124  -0.6264
 7DX  H29  H  HCR6   0   0.268    9.8482   0.8586  -1.9154
 7DX  O28  O  O      0  -0.669   -5.1649   1.7728  -0.7783
 7DX  O27  O  OC    -1  -0.670   -5.2161   0.1337  -2.2907

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
 7DX  C4   C5   aromatic  1.392  0.020  1.392
 7DX  C4   C3   aromatic  1.386  0.020  1.386
 7DX  C5   C6   single    1.464  0.020  1.464
 7DX  C5   C35  aromatic  1.397  0.020  1.397
 7DX  C6   N7   aromatic  1.362  0.020  1.362
 7DX  C6   C34  aromatic  1.370  0.020  1.370
 7DX  C8   C9   single    1.460  0.020  1.460
 7DX  C8   N7   aromatic  1.293  0.020  1.293
 7DX  C8   S33  aromatic  1.730  0.020  1.730
 7DX  C10  C11  aromatic  1.365  0.020  1.365
 7DX  C10  C9   aromatic  1.416  0.020  1.416
 7DX  C13  N14  aromatic  1.362  0.020  1.362
 7DX  C13  C32  aromatic  1.410  0.020  1.410
 7DX  C13  C12  aromatic  1.415  0.020  1.415
 7DX  C15  N16  single    1.391  0.020  1.391
 7DX  C15  C30  aromatic  1.421  0.020  1.421
 7DX  C15  N14  aromatic  1.306  0.020  1.306
 7DX  C17  C18  single    1.526  0.020  1.526
 7DX  C17  O29  double    1.212  0.020  1.212
 7DX  C17  N16  single    1.361  0.020  1.361
 7DX  C20  C21  single    1.535  0.020  1.535
 7DX  C20  C25  single    1.524  0.020  1.524
 7DX  C20  C19  single    1.551  0.020  1.551
 7DX  C21  C22  single    1.529  0.020  1.529
 7DX  C22  C23  single    1.519  0.020  1.519
 7DX  C24  C23  single    1.522  0.020  1.522
 7DX  C24  C25  single    1.531  0.020  1.531
 7DX  C26  C19  single    1.540  0.020  1.540
 7DX  C26  O28  deloc     1.258  0.020  1.258
 7DX  C26  O27  deloc     1.234  0.020  1.234
 7DX  C19  C18  single    1.555  0.020  1.555
 7DX  C30  C31  aromatic  1.361  0.020  1.361
 7DX  C31  C12  aromatic  1.415  0.020  1.415
 7DX  C32  C9   aromatic  1.379  0.020  1.379
 7DX  C12  C11  aromatic  1.410  0.020  1.410
 7DX  S33  C34  aromatic  1.704  0.020  1.704
 7DX  C35  C1   aromatic  1.384  0.020  1.384
 7DX  C1   C2   aromatic  1.389  0.020  1.389
 7DX  C2   C3   aromatic  1.387  0.020  1.387
 7DX  C4   H1   single    0.930  0.020  1.080
 7DX  C10  H3   single    0.930  0.020  1.080
 7DX  C20  H4   single    0.970  0.020  1.090
 7DX  C21  H5   single    0.970  0.020  1.090
 7DX  C21  H6   single    0.970  0.020  1.090
 7DX  C22  H7   single    0.970  0.020  1.090
 7DX  C22  H8   single    0.970  0.020  1.090
 7DX  C24  H9   single    0.970  0.020  1.090
 7DX  C24  H10  single    0.970  0.020  1.090
 7DX  C23  H11  single    0.970  0.020  1.090
 7DX  C23  H12  single    0.970  0.020  1.090
 7DX  C25  H13  single    0.970  0.020  1.090
 7DX  C25  H14  single    0.970  0.020  1.090
 7DX  C19  H15  single    0.970  0.020  1.090
 7DX  C18  H17  single    0.970  0.020  1.090
 7DX  C18  H18  single    0.970  0.020  1.090
 7DX  N16  H19  single    0.890  0.020  1.040
 7DX  C30  H20  single    0.930  0.020  1.080
 7DX  C31  H21  single    0.930  0.020  1.080
 7DX  C32  H22  single    0.930  0.020  1.080
 7DX  C11  H23  single    0.930  0.020  1.080
 7DX  C34  H24  single    0.930  0.020  1.080
 7DX  C35  H26  single    0.930  0.020  1.080
 7DX  C1   H27  single    0.930  0.020  1.080
 7DX  C2   H28  single    0.930  0.020  1.080
 7DX  C3   H29  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
 7DX  H1   C4   C3   119.68  3.000
 7DX  H1   C4   C5   119.77  3.000
 7DX  C3   C4   C5   120.55  3.000
 7DX  C35  C5   C6   121.19  3.000
 7DX  C35  C5   C4   118.72  3.000
 7DX  C6   C5   C4   120.09  3.000
 7DX  C34  C6   N7   113.78  3.000
 7DX  C34  C6   C5   126.88  3.000
 7DX  N7   C6   C5   119.27  3.000
 7DX  S33  C8   N7   113.63  3.000
 7DX  S33  C8   C9   123.31  3.000
 7DX  N7   C8   C9   123.06  3.000
 7DX  H3   C10  C9   119.19  3.000
 7DX  H3   C10  C11  120.36  3.000
 7DX  C9   C10  C11  120.44  3.000
 7DX  C12  C13  C32  118.94  3.000
 7DX  C12  C13  N14  122.34  3.000
 7DX  C32  C13  N14  118.71  3.000
 7DX  N14  C15  C30  123.77  3.000
 7DX  N14  C15  N16  120.01  3.000
 7DX  C30  C15  N16  116.23  3.000
 7DX  N16  C17  O29  123.79  3.000
 7DX  N16  C17  C18  114.75  3.000
 7DX  O29  C17  C18  121.45  3.000
 7DX  H4   C20  C19  107.10  3.000
 7DX  H4   C20  C25  107.92  3.000
 7DX  C19  C20  C25  112.43  3.000
 7DX  H4   C20  C21  107.88  3.000
 7DX  C19  C20  C21  112.28  3.000
 7DX  C25  C20  C21  109.03  3.000
 7DX  H6   C21  H5   106.27  3.000
 7DX  H6   C21  C22  109.37  3.000
 7DX  H5   C21  C22  108.88  3.000
 7DX  H6   C21  C20  108.93  3.000
 7DX  H5   C21  C20  110.61  3.000
 7DX  C22  C21  C20  112.57  3.000
 7DX  H8   C22  H7   106.41  3.000
 7DX  H8   C22  C23  110.35  3.000
 7DX  H7   C22  C23  108.98  3.000
 7DX  H8   C22  C21  109.82  3.000
 7DX  H7   C22  C21  109.21  3.000
 7DX  C23  C22  C21  111.92  3.000
 7DX  H10  C24  H9   106.21  3.000
 7DX  H10  C24  C25  109.89  3.000
 7DX  H9   C24  C25  108.95  3.000
 7DX  H10  C24  C23  110.53  3.000
 7DX  H9   C24  C23  109.22  3.000
 7DX  C25  C24  C23  111.86  3.000
 7DX  O27  C26  O28  127.09  3.000
 7DX  O27  C26  C19  117.39  3.000
 7DX  O28  C26  C19  115.52  3.000
 7DX  H12  C23  H11  106.63  3.000
 7DX  H12  C23  C24  109.63  3.000
 7DX  H11  C23  C24  110.42  3.000
 7DX  H12  C23  C22  109.38  3.000
 7DX  H11  C23  C22  110.65  3.000
 7DX  C24  C23  C22  110.07  3.000
 7DX  H14  C25  H13  106.52  3.000
 7DX  H14  C25  C24  108.69  3.000
 7DX  H13  C25  C24  109.46  3.000
 7DX  H14  C25  C20  110.64  3.000
 7DX  H13  C25  C20  108.48  3.000
 7DX  C24  C25  C20  112.85  3.000
 7DX  H15  C19  C18  108.35  3.000
 7DX  H15  C19  C26  108.93  3.000
 7DX  C18  C19  C26  111.00  3.000
 7DX  H15  C19  C20  108.01  3.000
 7DX  C18  C19  C20  110.70  3.000
 7DX  C26  C19  C20  109.76  3.000
 7DX  H18  C18  H17  107.26  3.000
 7DX  H18  C18  C19  107.86  3.000
 7DX  H17  C18  C19  109.29  3.000
 7DX  H18  C18  C17  110.12  3.000
 7DX  H17  C18  C17  106.83  3.000
 7DX  C19  C18  C17  115.22  3.000
 7DX  H19  N16  C17  113.60  3.000
 7DX  H19  N16  C15  115.43  3.000
 7DX  C17  N16  C15  127.98  3.000
 7DX  H20  C30  C31  121.52  3.000
 7DX  H20  C30  C15  119.99  3.000
 7DX  C31  C30  C15  118.49  3.000
 7DX  H21  C31  C12  119.84  3.000
 7DX  H21  C31  C30  120.53  3.000
 7DX  C12  C31  C30  119.62  3.000
 7DX  C15  N14  C13  118.29  3.000
 7DX  H22  C32  C9   121.62  3.000
 7DX  H22  C32  C13  117.46  3.000
 7DX  C9   C32  C13  120.91  3.000
 7DX  C11  C12  C31  123.21  3.000
 7DX  C11  C12  C13  119.31  3.000
 7DX  C31  C12  C13  117.48  3.000
 7DX  H23  C11  C12  119.02  3.000
 7DX  H23  C11  C10  120.16  3.000
 7DX  C12  C11  C10  120.82  3.000
 7DX  C32  C9   C10  119.55  3.000
 7DX  C32  C9   C8   122.16  3.000
 7DX  C10  C9   C8   118.26  3.000
 7DX  C8   N7   C6   112.65  3.000
 7DX  C34  S33  C8    89.30  3.000
 7DX  H24  C34  S33  120.36  3.000
 7DX  H24  C34  C6   129.16  3.000
 7DX  S33  C34  C6   110.46  3.000
 7DX  H26  C35  C1   118.63  3.000
 7DX  H26  C35  C5   120.70  3.000
 7DX  C1   C35  C5   120.66  3.000
 7DX  H27  C1   C2   120.21  3.000
 7DX  H27  C1   C35  119.56  3.000
 7DX  C2   C1   C35  120.22  3.000
 7DX  H28  C2   C3   120.29  3.000
 7DX  H28  C2   C1   120.24  3.000
 7DX  C3   C2   C1   119.47  3.000
 7DX  H29  C3   C2   120.12  3.000
 7DX  H29  C3   C4   119.51  3.000
 7DX  C2   C3   C4   120.37  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
 7DX  CONST_01  N7   C6   C5   C4      0.00   0.0  0
 7DX  CONST_02  C34  C6   C5   C4    180.00   0.0  0
 7DX  CONST_03  C1   C35  C5   C4      0.00   0.0  0
 7DX  CONST_04  C1   C2   C3   C4      0.00   0.0  0
 7DX  CONST_05  C2   C3   C4   C5      0.00   0.0  0
 7DX  CONST_06  C8   N7   C6   C5    180.00   0.0  0
 7DX  CONST_07  S33  C34  C6   C5    180.00   0.0  0
 7DX  CONST_08  C2   C1   C35  C5      0.00   0.0  0
 7DX  CONST_09  C3   C4   C5   C6    180.00   0.0  0
 7DX  CONST_10  C1   C35  C5   C6    180.00   0.0  0
 7DX  CONST_11  C9   C8   N7   C6    180.00   0.0  0
 7DX  CONST_12  S33  C8   N7   C6      0.00   0.0  0
 7DX  CONST_13  C8   S33  C34  C6      0.00   0.0  0
 7DX  CONST_14  C11  C10  C9   C8    180.00   0.0  0
 7DX  CONST_15  C13  C32  C9   C8    180.00   0.0  0
 7DX  CONST_16  C34  C6   N7   C8      0.00   0.0  0
 7DX  CONST_17  C13  C12  C11  C10     0.00   0.0  0
 7DX  CONST_18  C31  C12  C11  C10   180.00   0.0  0
 7DX  CONST_19  N7   C8   C9   C10     0.00   0.0  0
 7DX  CONST_20  S33  C8   C9   C10   180.00   0.0  0
 7DX  CONST_21  C13  C32  C9   C10     0.00   0.0  0
 7DX  CONST_22  C30  C15  N14  C13     0.00   0.0  0
 7DX  CONST_23  C30  C31  C12  C13     0.00   0.0  0
 7DX  CONST_24  C12  C31  C30  C15     0.00   0.0  0
 7DX  CONST_25  C32  C13  N14  C15   180.00   0.0  0
 7DX  CONST_26  C12  C13  N14  C15     0.00   0.0  0
 7DX  CONST_27  C11  C12  C31  C30   180.00   0.0  0
 7DX  CONST_28  N14  C15  C30  C31     0.00   0.0  0
 7DX  CONST_29  N14  C13  C12  C31     0.00   0.0  0
 7DX  CONST_30  C32  C13  C12  C31   180.00   0.0  0
 7DX  CONST_31  C9   C32  C13  N14   180.00   0.0  0
 7DX  CONST_32  C11  C12  C13  N14   180.00   0.0  0
 7DX  CONST_33  C11  C12  C13  C32     0.00   0.0  0
 7DX  CONST_34  N7   C8   C9   C32   180.00   0.0  0
 7DX  CONST_35  S33  C8   C9   C32     0.00   0.0  0
 7DX  CONST_36  C11  C10  C9   C32     0.00   0.0  0
 7DX  CONST_37  C9   C32  C13  C12     0.00   0.0  0
 7DX  CONST_38  C9   C10  C11  C12     0.00   0.0  0
 7DX  CONST_39  C34  S33  C8   C9    180.00   0.0  0
 7DX  CONST_40  C35  C5   C6   N7    180.00   0.0  0
 7DX  CONST_41  S33  C34  C6   N7      0.00   0.0  0
 7DX  CONST_42  C34  S33  C8   N7      0.00   0.0  0
 7DX  CONST_43  C35  C5   C6   C34     0.00   0.0  0
 7DX  CONST_44  C3   C4   C5   C35     0.00   0.0  0
 7DX  CONST_45  C3   C2   C1   C35     0.00   0.0  0
 7DX  CONST_46  N16  C15  N14  C13   180.00   0.0  0
 7DX  CONST_47  C31  C30  C15  N16   180.00   0.0  0
 7DX  CONST_48  H26  C35  C5   C4    180.00   0.0  0
 7DX  CONST_49  H28  C2   C3   C4    180.00   0.0  0
 7DX  CONST_50  H29  C3   C4   C5    180.00   0.0  0
 7DX  CONST_51  H24  C34  C6   C5      0.00   0.0  0
 7DX  CONST_52  H27  C1   C35  C5    180.00   0.0  0
 7DX  CONST_53  H1   C4   C5   C6      0.00   0.0  0
 7DX  CONST_54  H3   C10  C9   C8      0.00   0.0  0
 7DX  CONST_55  H22  C32  C9   C8      0.00   0.0  0
 7DX  CONST_56  H21  C31  C12  C13   180.00   0.0  0
 7DX  CONST_57  H23  C11  C12  C13   180.00   0.0  0
 7DX  CONST_58  H20  C30  C15  N14   180.00   0.0  0
 7DX  CONST_61  H19  N16  C15  C30     0.00   0.0  0
 7DX  CONST_62  C18  C17  N16  C15   180.00   0.0  0
 7DX  CONST_63  O29  C17  N16  C15     0.00   0.0  0
 7DX  Var_01    C23  C22  C21  C20   -56.10  30.0  1
 7DX  Var_02    C23  C24  C25  C20    55.90  30.0  1
 7DX  Var_03    C24  C23  C22  C21    55.03  30.0  1
 7DX  Var_04    C25  C24  C23  C22   -54.76  30.0  1
 7DX  Var_05    O29  C17  C18  C19  -104.41  30.0  2

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
 7DX  chir_01  C20  C21  C25  C19  negativ
 7DX  chir_02  C19  C20  C26  C18  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
 7DX  plan-1  C5   0.020
 7DX  plan-1  C6   0.020
 7DX  plan-1  C8   0.020
 7DX  plan-1  C9   0.020
 7DX  plan-1  N7   0.020
 7DX  plan-1  S33  0.020
 7DX  plan-1  C34  0.020
 7DX  plan-1  H24  0.020
 7DX  plan-2  C4   0.020
 7DX  plan-2  C5   0.020
 7DX  plan-2  C6   0.020
 7DX  plan-2  C35  0.020
 7DX  plan-2  C1   0.020
 7DX  plan-2  C2   0.020
 7DX  plan-2  C3   0.020
 7DX  plan-2  H1   0.020
 7DX  plan-2  H26  0.020
 7DX  plan-2  H27  0.020
 7DX  plan-2  H28  0.020
 7DX  plan-2  H29  0.020
 7DX  plan-3  C8   0.020
 7DX  plan-3  C10  0.020
 7DX  plan-3  C13  0.020
 7DX  plan-3  C15  0.020
 7DX  plan-3  N16  0.020
 7DX  plan-3  C30  0.020
 7DX  plan-3  C31  0.020
 7DX  plan-3  N14  0.020
 7DX  plan-3  C32  0.020
 7DX  plan-3  C12  0.020
 7DX  plan-3  C11  0.020
 7DX  plan-3  C9   0.020
 7DX  plan-3  H3   0.020
 7DX  plan-3  H20  0.020
 7DX  plan-3  H21  0.020
 7DX  plan-3  H22  0.020
 7DX  plan-3  H23  0.020
 7DX  plan-4  C15  0.020
 7DX  plan-4  C17  0.020
 7DX  plan-4  C18  0.020
 7DX  plan-4  O29  0.020
 7DX  plan-4  N16  0.020
 7DX  plan-4  H19  0.020
 7DX  plan-5  C26  0.020
 7DX  plan-5  C19  0.020
 7DX  plan-5  O28  0.020
 7DX  plan-5  O27  0.020

