# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Wed Apr 29 16:54:37 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  62  35  .  2021-08-05  2023-02-16
;
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  -0.299    8.2834   0.3440  -0.2056
 7DX  C5   C  CR6   0   0.047    7.6865  -0.8447   0.2170
 7DX  C6   C  CR5   0   0.392    6.2233  -0.9692   0.2375
 7DX  C8   C  CR5   0   0.029    4.1831  -0.1231   0.1180
 7DX  C10  C  CR16  0  -0.293    3.5117   2.2382  -0.2104
 7DX  C13  C  CR66  0   0.247    0.8021   1.5401  -0.0632
 7DX  C15  C  CR6   0   0.507   -1.4192   2.0591  -0.0859
 7DX  C17  C  C     0   0.570   -3.3258   0.4600  -0.0034
 7DX  C20  C  CH1   0  -0.224   -7.0176  -0.7883   0.0529
 7DX  C21  C  CH2   0  -0.428   -7.6827  -2.1352  -0.2495
 7DX  C22  C  CH2   0  -0.430   -9.2026  -2.0636  -0.1463
 7DX  C24  C  CH2   0  -0.430   -9.0086  -0.2125   1.5243
 7DX  C26  C  C     0   0.545   -5.0355  -1.4985  -1.3006
 7DX  C23  C  CH2   0  -0.429   -9.6520  -1.5581   1.2170
 7DX  C25  C  CH2   0  -0.429   -7.4882  -0.2738   1.4170
 7DX  C19  C  CH1   0  -0.330   -5.4739  -0.8765   0.0057
 7DX  O27  O  OH1   0  -0.589   -4.7091  -2.7792  -1.1903
 7DX  C18  C  CH2   0  -0.614   -4.8317   0.5002   0.1430
 7DX  O29  O  O     0  -0.430   -2.7054  -0.5755  -0.1032
 7DX  N16  N  NH1   0  -0.747   -2.7578   1.7061  -0.0043
 7DX  C30  C  CR16  0  -0.397   -1.1436   3.4449  -0.2724
 7DX  C31  C  CR16  0  -0.167    0.1524   3.8451  -0.3536
 7DX  N14  N  N     0  -0.458   -0.4930   1.1520   0.0189
 7DX  C32  C  CR16  0  -0.388    1.8008   0.5541   0.0550
 7DX  C12  C  CR66  0   0.062    1.1879   2.8864  -0.2523
 7DX  C11  C  CR16  0  -0.298    2.5582   3.2100  -0.3266
 7DX  C9   C  CR6   0   0.088    3.1346   0.8877  -0.0132
 7DX  N7   N  N     0  -0.422    5.4498   0.1438   0.0779
 7DX  S33  S  S2    0   0.266    3.8380  -1.8039   0.3556
 7DX  C34  C  CR15  0  -0.586    5.5127  -2.1254   0.3982
 7DX  C35  C  CR16  0  -0.326    8.5078  -1.9013   0.6151
 7DX  C1   C  CR16  0  -0.236    9.8874  -1.7757   0.5830
 7DX  C2   C  CR16  0  -0.265   10.4733  -0.5899   0.1568
 7DX  C3   C  CR16  0  -0.238    9.6648   0.4680  -0.2360
 7DX  H1   H  HCR6  0   0.257    7.6635   1.1747  -0.5155
 7DX  H3   H  HCR6  0   0.266    4.5609   2.4921  -0.2690
 7DX  H4   H  HCH1  0   0.224   -7.3358  -0.0704  -0.7146
 7DX  H5   H  HCH2  0   0.235   -7.4202  -2.4837  -1.2513
 7DX  H6   H  HCH2  0   0.214   -7.3031  -2.8885   0.4506
 7DX  H7   H  HCH2  0   0.211   -9.5859  -1.3951  -0.9252
 7DX  H8   H  HCH2  0   0.229   -9.6284  -3.0490  -0.3503
 7DX  H9   H  HCH2  0   0.211   -9.3898   0.5395   0.8250
 7DX  H10  H  HCH2  0   0.229   -9.2889   0.1273   2.5242
 7DX  H11  H  HCH2  0   0.227  -10.7410  -1.4749   1.2524
 7DX  H12  H  HCH2  0   0.209   -9.3708  -2.2842   1.9878
 7DX  H13  H  HCH2  0   0.213   -7.0913  -0.9343   2.1975
 7DX  H14  H  HCH2  0   0.238   -7.0816   0.7196   1.6170
 7DX  H15  H  HCH1  0   0.265   -5.1457  -1.5141   0.8310
 7DX  H16  H  HOH1  0   0.476   -4.4782  -3.1364  -2.0612
 7DX  H17  H  HCH2  0   0.305   -5.0557   0.9187   1.1267
 7DX  H18  H  HCH2  0   0.281   -5.2553   1.1977  -0.5853
 7DX  H19  H  HNH1  0   0.427   -3.4030   2.4812   0.0216
 7DX  H20  H  HCR6  0   0.288   -1.9540   4.1580  -0.3501
 7DX  H21  H  HCR6  0   0.278    0.3965   4.8901  -0.4970
 7DX  H22  H  HCR6  0   0.258    1.4744  -0.4686   0.2051
 7DX  H23  H  HCR6  0   0.267    2.8497   4.2421  -0.4776
 7DX  H24  H  HCR5  0   0.311    5.8765  -3.1323   0.5288
 7DX  H26  H  HCR6  0   0.252    8.0742  -2.8293   0.9659
 7DX  H27  H  HCR6  0   0.260   10.5064  -2.6058   0.8980
 7DX  H28  H  HCR6  0   0.259   11.5507  -0.4917   0.1334
 7DX  H29  H  HCR6  0   0.259   10.1095   1.3962  -0.5704
 7DX  O28  O  O     0  -0.450   -5.0222  -0.9036  -2.3520

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  1.396  0.020  1.396
 7DX  C4   C3   aromatic  1.387  0.020  1.387
 7DX  C5   C6   single    1.469  0.020  1.469
 7DX  C5   C35  aromatic  1.396  0.020  1.396
 7DX  C6   N7   aromatic  1.365  0.020  1.365
 7DX  C6   C34  aromatic  1.367  0.020  1.367
 7DX  C8   C9   single    1.462  0.020  1.462
 7DX  C8   N7   aromatic  1.295  0.020  1.295
 7DX  C8   S33  aromatic  1.732  0.020  1.732
 7DX  C10  C11  aromatic  1.366  0.020  1.366
 7DX  C10  C9   aromatic  1.416  0.020  1.416
 7DX  C13  N14  aromatic  1.355  0.020  1.355
 7DX  C13  C32  aromatic  1.408  0.020  1.408
 7DX  C13  C12  aromatic  1.413  0.020  1.413
 7DX  C15  N16  single    1.387  0.020  1.387
 7DX  C15  C30  aromatic  1.425  0.020  1.425
 7DX  C15  N14  aromatic  1.301  0.020  1.301
 7DX  C17  C18  single    1.514  0.020  1.514
 7DX  C17  O29  double    1.211  0.020  1.211
 7DX  C17  N16  single    1.369  0.020  1.369
 7DX  C20  C21  single    1.532  0.020  1.532
 7DX  C20  C25  single    1.532  0.020  1.532
 7DX  C20  C19  single    1.547  0.020  1.547
 7DX  C21  C22  single    1.525  0.020  1.525
 7DX  C22  C23  single    1.522  0.020  1.522
 7DX  C24  C23  single    1.523  0.020  1.523
 7DX  C24  C25  single    1.525  0.020  1.525
 7DX  C26  C19  single    1.512  0.020  1.512
 7DX  C26  O28  double    1.208  0.020  1.208
 7DX  C26  O27  single    1.326  0.020  1.326
 7DX  C19  C18  single    1.525  0.020  1.525
 7DX  C30  C31  aromatic  1.359  0.020  1.359
 7DX  C31  C12  aromatic  1.415  0.020  1.415
 7DX  C32  C9   aromatic  1.377  0.020  1.377
 7DX  C12  C11  aromatic  1.410  0.020  1.410
 7DX  S33  C34  aromatic  1.706  0.020  1.706
 7DX  C35  C1   aromatic  1.386  0.020  1.386
 7DX  C1   C2   aromatic  1.390  0.020  1.390
 7DX  C2   C3   aromatic  1.388  0.020  1.388
 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  O27  H16  single    0.850  0.020  0.980
 7DX  C18  H17  single    0.970  0.020  1.090
 7DX  C18  H18  single    0.970  0.020  1.090
 7DX  N16  H19  single    0.860  0.020  1.020
 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   119.71  3.000
 7DX  H1   C4   C5   119.71  3.000
 7DX  C3   C4   C5   120.57  3.000
 7DX  C35  C5   C6   121.19  3.000
 7DX  C35  C5   C4   118.64  3.000
 7DX  C6   C5   C4   120.17  3.000
 7DX  C34  C6   N7   114.15  3.000
 7DX  C34  C6   C5   126.26  3.000
 7DX  N7   C6   C5   119.60  3.000
 7DX  S33  C8   N7   113.52  3.000
 7DX  S33  C8   C9   122.69  3.000
 7DX  N7   C8   C9   123.79  3.000
 7DX  H3   C10  C9   119.34  3.000
 7DX  H3   C10  C11  120.37  3.000
 7DX  C9   C10  C11  120.29  3.000
 7DX  C12  C13  C32  118.99  3.000
 7DX  C12  C13  N14  122.83  3.000
 7DX  C32  C13  N14  118.18  3.000
 7DX  N14  C15  C30  123.44  3.000
 7DX  N14  C15  N16  120.34  3.000
 7DX  C30  C15  N16  116.22  3.000
 7DX  N16  C17  O29  124.43  3.000
 7DX  N16  C17  C18  112.87  3.000
 7DX  O29  C17  C18  122.70  3.000
 7DX  H4   C20  C19  107.76  3.000
 7DX  H4   C20  C25  108.29  3.000
 7DX  C19  C20  C25  110.66  3.000
 7DX  H4   C20  C21  108.12  3.000
 7DX  C19  C20  C21  112.15  3.000
 7DX  C25  C20  C21  109.73  3.000
 7DX  H6   C21  H5   106.45  3.000
 7DX  H6   C21  C22  109.52  3.000
 7DX  H5   C21  C22  108.45  3.000
 7DX  H6   C21  C20  109.13  3.000
 7DX  H5   C21  C20  110.92  3.000
 7DX  C22  C21  C20  112.21  3.000
 7DX  H8   C22  H7   106.33  3.000
 7DX  H8   C22  C23  110.60  3.000
 7DX  H7   C22  C23  109.32  3.000
 7DX  H8   C22  C21  109.47  3.000
 7DX  H7   C22  C21  109.22  3.000
 7DX  C23  C22  C21  111.74  3.000
 7DX  H10  C24  H9   106.34  3.000
 7DX  H10  C24  C25  109.43  3.000
 7DX  H9   C24  C25  109.24  3.000
 7DX  H10  C24  C23  110.55  3.000
 7DX  H9   C24  C23  109.31  3.000
 7DX  C25  C24  C23  111.80  3.000
 7DX  O27  C26  O28  123.04  3.000
 7DX  O27  C26  C19  113.38  3.000
 7DX  O28  C26  C19  123.54  3.000
 7DX  H12  C23  H11  106.46  3.000
 7DX  H12  C23  C24  109.58  3.000
 7DX  H11  C23  C24  110.32  3.000
 7DX  H12  C23  C22  109.53  3.000
 7DX  H11  C23  C22  110.40  3.000
 7DX  C24  C23  C22  110.46  3.000
 7DX  H14  C25  H13  106.43  3.000
 7DX  H14  C25  C24  108.77  3.000
 7DX  H13  C25  C24  109.56  3.000
 7DX  H14  C25  C20  110.75  3.000
 7DX  H13  C25  C20  108.68  3.000
 7DX  C24  C25  C20  112.47  3.000
 7DX  H15  C19  C18  109.39  3.000
 7DX  H15  C19  C26  108.98  3.000
 7DX  C18  C19  C26  109.09  3.000
 7DX  H15  C19  C20  108.04  3.000
 7DX  C18  C19  C20  111.47  3.000
 7DX  C26  C19  C20  109.83  3.000
 7DX  H16  O27  C26  109.87  3.000
 7DX  H18  C18  H17  106.02  3.000
 7DX  H18  C18  C19  110.64  3.000
 7DX  H17  C18  C19  109.91  3.000
 7DX  H18  C18  C17  109.75  3.000
 7DX  H17  C18  C17  107.54  3.000
 7DX  C19  C18  C17  112.72  3.000
 7DX  H19  N16  C17  115.71  3.000
 7DX  H19  N16  C15  115.04  3.000
 7DX  C17  N16  C15  129.20  3.000
 7DX  H20  C30  C31  121.05  3.000
 7DX  H20  C30  C15  120.35  3.000
 7DX  C31  C30  C15  118.60  3.000
 7DX  H21  C31  C12  119.90  3.000
 7DX  H21  C31  C30  120.48  3.000
 7DX  C12  C31  C30  119.62  3.000
 7DX  C15  N14  C13  118.43  3.000
 7DX  H22  C32  C9   121.82  3.000
 7DX  H22  C32  C13  117.30  3.000
 7DX  C9   C32  C13  120.88  3.000
 7DX  C11  C12  C31  123.50  3.000
 7DX  C11  C12  C13  119.41  3.000
 7DX  C31  C12  C13  117.09  3.000
 7DX  H23  C11  C12  119.19  3.000
 7DX  H23  C11  C10  120.12  3.000
 7DX  C12  C11  C10  120.69  3.000
 7DX  C32  C9   C10  119.74  3.000
 7DX  C32  C9   C8   121.52  3.000
 7DX  C10  C9   C8   118.74  3.000
 7DX  C8   N7   C6   112.50  3.000
 7DX  C34  S33  C8    89.47  3.000
 7DX  H24  C34  S33  120.67  3.000
 7DX  H24  C34  C6   128.95  3.000
 7DX  S33  C34  C6   110.37  3.000
 7DX  H26  C35  C1   118.94  3.000
 7DX  H26  C35  C5   120.36  3.000
 7DX  C1   C35  C5   120.69  3.000
 7DX  H27  C1   C2   120.17  3.000
 7DX  H27  C1   C35  119.55  3.000
 7DX  C2   C1   C35  120.28  3.000
 7DX  H28  C2   C3   120.30  3.000
 7DX  H28  C2   C1   120.25  3.000
 7DX  C3   C2   C1   119.44  3.000
 7DX  H29  C3   C2   120.11  3.000
 7DX  H29  C3   C4   119.52  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_59  C30  C15  N16  C17  180.00   0.0  0
 7DX  CONST_60  N14  C15  N16  C17    0.00   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  CONST_64  H16  O27  C26  C19  180.00   0.0  0
 7DX  Var_01    C23  C22  C21  C20  -56.02  30.0  1
 7DX  Var_02    C23  C24  C25  C20   55.28  30.0  1
 7DX  Var_03    C24  C23  C22  C21   55.30  30.0  1
 7DX  Var_04    C25  C24  C23  C22  -54.88  30.0  1
 7DX  Var_05    O29  C17  C18  C19   -5.91  30.0  1

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  O27  0.020
 7DX  plan-5  H16  0.020
 7DX  plan-5  O28  0.020

