# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Mon Apr 27 08:55:13 2020
#   Inital geometry file: a 157 line input string
#   Ligand name: [(1~{R},2~{R},5~{S})-5-methyl-2-propan-2-yl-cyclohexyl] 2-[3-methyl-2-(phenoxymethyl)benzimidazol-1-yl]ethanoate
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: C[C@H]1CC[C@H](C(C)C)[C@@H](C1)OC(=O)C[n]2c(COc3ccccc3)n(C)c4ccccc24
#
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
 E9A  E9A  '[(1~{R},2~{R},5~{S})-5-methyl-2-propan-2-yl-cyclohexyl] 2-[3-methyl-2-(phenoxymethyl)benzimidazol-1-yl]ethanoate'  ligand  67  32  .  2021-08-08  2021-08-08  
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as PERFECT
;

data_comp_E9A
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
 E9A  C8   C  CH1   0   0.037   0.1783  61.0487  58.5732
 E9A  N1   N  NR5   0  -0.537  -4.3857  59.2016  56.2454
 E9A  C7   C  CH3   0  -0.661  -2.4643  63.6692  59.8247
 E9A  O    O  O2    0  -0.438  -0.6324  60.6995  57.4271
 E9A  C6   C  CH3   0  -0.668  -0.8559  63.8183  57.9417
 E9A  C5   C  CH1   0  -0.228  -1.6409  62.8530  58.8294
 E9A  C1   C  CH1   0  -0.240   0.9451  59.8308  60.6932
 E9A  C2   C  CH2   0  -0.430  -0.3654  60.2163  61.4159
 E9A  C3   C  CH2   0  -0.463  -1.3916  60.8960  60.5042
 E9A  C4   C  CH1   0  -0.231  -0.7046  61.8593  59.5394
 E9A  N    N  NR5   0  -0.533  -2.4194  60.0059  55.5992
 E9A  C    C  CH3   0  -0.667   2.1183  60.7441  61.0441
 E9A  C10  C  C     0   0.599  -0.0586  60.4379  56.2793
 E9A  C11  C  CH2   0  -0.483  -1.0595  60.0991  55.1857
 E9A  C12  C  CR5   0   0.349  -3.1039  58.8058  55.8472
 E9A  C14  C  CR56  0   0.318  -4.5193  60.5582  56.1217
 E9A  C15  C  CR56  0   0.341  -3.2682  61.0714  55.7346
 E9A  C16  C  CR16  0  -0.328  -3.0778  62.4257  55.5373
 E9A  C17  C  CR16  0  -0.274  -4.1751  63.2725  55.7336
 E9A  C18  C  CR16  0  -0.277  -5.4116  62.7680  56.1031
 E9A  C19  C  CR16  0  -0.359  -5.6078  61.3952  56.2975
 E9A  C20  C  CH2   0  -0.314  -2.4530  57.6326  56.4572
 E9A  C21  C  CR6   0   0.390  -1.7796  56.7994  58.5975
 E9A  C22  C  CR16  0  -0.347  -1.7686  56.9703  59.9849
 E9A  C23  C  CR16  0  -0.234  -1.2143  56.0051  60.8056
 E9A  C24  C  CR16  0  -0.287  -0.6663  54.8456  60.2650
 E9A  C25  C  CR16  0  -0.240  -0.6842  54.6740  58.8906
 E9A  C26  C  CR16  0  -0.388  -1.2346  55.6382  58.0511
 E9A  C9   C  CH2   0  -0.485   0.6997  59.7462  59.1894
 E9A  O1   O  O     0  -0.464   1.1279  60.4712  56.0585
 E9A  O2   O  O2    0  -0.467  -2.3183  57.8038  57.8788
 E9A  H16  H  HCH1  0   0.249   1.0092  61.6692  58.2300
 E9A  H14  H  HCH3  0   0.227  -3.1377  63.0528  60.4190
 E9A  H15  H  HCH3  0   0.210  -1.8194  64.2209  60.5136
 E9A  H13  H  HCH3  0   0.226  -3.0817  64.3975  59.2955
 E9A  H12  H  HCH3  0   0.226  -0.2503  63.3153  57.1878
 E9A  H11  H  HCH3  0   0.228  -1.5350  64.4856  57.4090
 E9A  H10  H  HCH3  0   0.214  -0.1842  64.4378  58.5422
 E9A  H9   H  HCH1  0   0.247  -2.3415  62.2991  58.1982
 E9A  H3   H  HCH1  0   0.233   1.2258  58.8244  61.0166
 E9A  H4   H  HCH2  0   0.224  -0.1362  60.8862  62.2497
 E9A  H5   H  HCH2  0   0.227  -0.8182  59.3273  61.8612
 E9A  H7   H  HCH2  0   0.239  -2.1196  61.4118  61.1310
 E9A  H6   H  HCH2  0   0.225  -1.9591  60.1564  59.9296
 E9A  H8   H  HCH1  0   0.221  -0.0093  62.4707  60.1300
 E9A  H2   H  HCH3  0   0.228   2.3064  60.7348  62.1191
 E9A  H1   H  HCH3  0   0.224   3.0321  60.4125  60.5468
 E9A  H    H  HCH3  0   0.221   1.9500  61.7841  60.7575
 E9A  H20  H  HCH2  0   0.309  -0.7477  59.1614  54.7217
 E9A  H19  H  HCH2  0   0.307  -0.9549  60.8566  54.4023
 E9A  H23  H  HCH3  0   0.258  -5.1174  57.4225  57.0481
 E9A  H22  H  HCH3  0   0.258  -6.2272  58.7797  57.0974
 E9A  H21  H  HCH3  0   0.245  -5.9323  57.9420  55.5654
 E9A  H24  H  HCR6  0   0.252  -2.1137  62.8291  55.2572
 E9A  H25  H  HCR6  0   0.241  -4.0502  64.3380  55.5927
 E9A  H26  H  HCR6  0   0.243  -6.2458  63.4432  56.2418
 E9A  H27  H  HCR6  0   0.257  -6.5793  61.0098  56.5780
 E9A  H29  H  HCH2  0   0.251  -3.0419  56.7309  56.2582
 E9A  H28  H  HCH2  0   0.250  -1.4709  57.4724  56.0010
 E9A  H30  H  HCR6  0   0.260  -2.1980  57.8689  60.4096
 E9A  H31  H  HCR6  0   0.254  -1.2134  56.1591  61.8773
 E9A  H32  H  HCR6  0   0.251  -0.2343  54.0895  60.9070
 E9A  H33  H  HCR6  0   0.257  -0.2634  53.7788  58.4511
 E9A  H34  H  HCR6  0   0.277  -1.2226  55.4635  56.9839
 E9A  H18  H  HCH2  0   0.263  -0.0498  58.9715  59.0143
 E9A  H17  H  HCH2  0   0.241   1.6066  59.4280  58.6709
 E9A  C13  C  CH3   0  -0.536  -5.4683  58.2898  56.4913

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
 E9A  C17  C16  aromatic  1.400  0.020  1.400
 E9A  C17  C18  aromatic  1.386  0.020  1.386
 E9A  C16  C15  aromatic  1.382  0.020  1.382
 E9A  C18  C19  aromatic  1.400  0.020  1.400
 E9A  C11  N    single    1.424  0.020  1.424
 E9A  C11  C10  single    1.521  0.020  1.521
 E9A  C15  N    aromatic  1.369  0.020  1.369
 E9A  C15  C14  aromatic  1.407  0.020  1.407
 E9A  N    C12  aromatic  1.404  0.020  1.404
 E9A  C19  C14  aromatic  1.384  0.020  1.384
 E9A  C14  N1   aromatic  1.369  0.020  1.369
 E9A  C12  N1   aromatic  1.399  0.020  1.399
 E9A  C12  C20  single    1.474  0.020  1.474
 E9A  N1   C13  single    1.437  0.020  1.437
 E9A  C20  O2   single    1.438  0.020  1.438
 E9A  C10  O1   double    1.207  0.020  1.207
 E9A  C10  O    single    1.310  0.020  1.310
 E9A  C26  C25  aromatic  1.392  0.020  1.392
 E9A  C26  C21  aromatic  1.394  0.020  1.394
 E9A  O2   C21  single    1.347  0.020  1.347
 E9A  C6   C5   single    1.528  0.020  1.528
 E9A  O    C8   single    1.447  0.020  1.447
 E9A  C25  C24  aromatic  1.385  0.020  1.385
 E9A  C21  C22  aromatic  1.398  0.020  1.398
 E9A  C5   C7   single    1.528  0.020  1.528
 E9A  C5   C4   single    1.539  0.020  1.539
 E9A  C8   C4   single    1.539  0.020  1.539
 E9A  C8   C9   single    1.532  0.020  1.532
 E9A  C24  C23  aromatic  1.392  0.020  1.392
 E9A  C4   C3   single    1.527  0.020  1.527
 E9A  C22  C23  aromatic  1.383  0.020  1.383
 E9A  C9   C1   single    1.526  0.020  1.526
 E9A  C3   C2   single    1.532  0.020  1.532
 E9A  C    C1   single    1.528  0.020  1.528
 E9A  C1   C2   single    1.545  0.020  1.545
 E9A  C8   H16  single    0.970  0.020  1.090
 E9A  C7   H14  single    0.970  0.020  1.090
 E9A  C7   H15  single    0.970  0.020  1.090
 E9A  C7   H13  single    0.970  0.020  1.090
 E9A  C6   H12  single    0.970  0.020  1.090
 E9A  C6   H11  single    0.970  0.020  1.090
 E9A  C6   H10  single    0.970  0.020  1.090
 E9A  C5   H9   single    0.970  0.020  1.090
 E9A  C1   H3   single    0.970  0.020  1.090
 E9A  C2   H4   single    0.970  0.020  1.090
 E9A  C2   H5   single    0.970  0.020  1.090
 E9A  C3   H7   single    0.970  0.020  1.090
 E9A  C3   H6   single    0.970  0.020  1.090
 E9A  C4   H8   single    0.970  0.020  1.090
 E9A  C    H2   single    0.970  0.020  1.090
 E9A  C    H1   single    0.970  0.020  1.090
 E9A  C    H    single    0.970  0.020  1.090
 E9A  C11  H20  single    0.970  0.020  1.090
 E9A  C11  H19  single    0.970  0.020  1.090
 E9A  C13  H23  single    0.970  0.020  1.090
 E9A  C13  H22  single    0.970  0.020  1.090
 E9A  C13  H21  single    0.970  0.020  1.090
 E9A  C16  H24  single    0.930  0.020  1.080
 E9A  C17  H25  single    0.930  0.020  1.080
 E9A  C18  H26  single    0.930  0.020  1.080
 E9A  C19  H27  single    0.930  0.020  1.080
 E9A  C20  H29  single    0.970  0.020  1.090
 E9A  C20  H28  single    0.970  0.020  1.090
 E9A  C22  H30  single    0.930  0.020  1.080
 E9A  C23  H31  single    0.930  0.020  1.080
 E9A  C24  H32  single    0.930  0.020  1.080
 E9A  C25  H33  single    0.930  0.020  1.080
 E9A  C26  H34  single    0.930  0.020  1.080
 E9A  C9   H18  single    0.970  0.020  1.090
 E9A  C9   H17  single    0.970  0.020  1.090

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
 E9A  H16  C8   C9   110.51  3.000
 E9A  H16  C8   C4   109.53  3.000
 E9A  C9   C8   C4   112.97  3.000
 E9A  H16  C8   O    108.33  3.000
 E9A  C9   C8   O    107.70  3.000
 E9A  C4   C8   O    107.63  3.000
 E9A  C14  N1   C13  124.82  3.000
 E9A  C13  N1   C12  124.02  3.000
 E9A  C14  N1   C12  110.12  3.000
 E9A  H13  C7   H15  107.60  3.000
 E9A  H13  C7   H14  107.00  3.000
 E9A  H15  C7   H14  107.85  3.000
 E9A  H13  C7   C5   110.21  3.000
 E9A  H15  C7   C5   111.23  3.000
 E9A  H14  C7   C5   112.72  3.000
 E9A  C10  O    C8   119.80  3.000
 E9A  H10  C6   H11  107.70  3.000
 E9A  H10  C6   H12  107.46  3.000
 E9A  H11  C6   H12  106.89  3.000
 E9A  H10  C6   C5   110.75  3.000
 E9A  H11  C6   C5   110.50  3.000
 E9A  H12  C6   C5   113.30  3.000
 E9A  H9   C5   C4   109.21  3.000
 E9A  H9   C5   C6   108.28  3.000
 E9A  C4   C5   C6   111.30  3.000
 E9A  H9   C5   C7   107.53  3.000
 E9A  C4   C5   C7   111.86  3.000
 E9A  C6   C5   C7   108.53  3.000
 E9A  H3   C1   C9   106.36  3.000
 E9A  H3   C1   C    106.56  3.000
 E9A  C9   C1   C    112.52  3.000
 E9A  H3   C1   C2   107.99  3.000
 E9A  C    C1   C2   113.25  3.000
 E9A  C9   C1   C2   109.77  3.000
 E9A  H5   C2   H4   105.94  3.000
 E9A  H5   C2   C3   109.03  3.000
 E9A  H4   C2   C3   108.80  3.000
 E9A  H5   C2   C1   109.82  3.000
 E9A  H4   C2   C1   109.36  3.000
 E9A  C3   C2   C1   113.60  3.000
 E9A  H6   C3   H7   105.97  3.000
 E9A  H6   C3   C4   109.13  3.000
 E9A  H7   C3   C4   111.43  3.000
 E9A  H6   C3   C2   111.09  3.000
 E9A  H7   C3   C2   108.36  3.000
 E9A  C4   C3   C2   110.77  3.000
 E9A  H8   C4   C3   107.23  3.000
 E9A  H8   C4   C5   105.89  3.000
 E9A  C3   C4   C5   115.16  3.000
 E9A  H8   C4   C8   105.52  3.000
 E9A  C3   C4   C8   108.82  3.000
 E9A  C5   C4   C8   113.54  3.000
 E9A  C15  N    C12  110.22  3.000
 E9A  C12  N    C11  124.94  3.000
 E9A  C15  N    C11  124.73  3.000
 E9A  H    C    H1   107.39  3.000
 E9A  H    C    H2   107.05  3.000
 E9A  H1   C    H2   107.57  3.000
 E9A  H    C    C1   113.00  3.000
 E9A  H1   C    C1   110.89  3.000
 E9A  H2   C    C1   110.70  3.000
 E9A  O1   C10  C11  121.43  3.000
 E9A  O1   C10  O    125.83  3.000
 E9A  C11  C10  O    112.73  3.000
 E9A  H19  C11  H20  105.25  3.000
 E9A  H19  C11  C10  107.31  3.000
 E9A  H20  C11  C10  108.00  3.000
 E9A  H19  C11  N    110.13  3.000
 E9A  H20  C11  N    109.87  3.000
 E9A  C10  C11  N    115.73  3.000
 E9A  C20  C12  N    122.57  3.000
 E9A  C20  C12  N1   120.79  3.000
 E9A  N    C12  N1   104.78  3.000
 E9A  C19  C14  C15  120.91  3.000
 E9A  C19  C14  N1   131.65  3.000
 E9A  C15  C14  N1   107.44  3.000
 E9A  C16  C15  C14  121.30  3.000
 E9A  C14  C15  N    107.14  3.000
 E9A  C16  C15  N    131.55  3.000
 E9A  H24  C16  C17  120.61  3.000
 E9A  H24  C16  C15  121.68  3.000
 E9A  C17  C16  C15  117.70  3.000
 E9A  H25  C17  C18  119.75  3.000
 E9A  H25  C17  C16  119.14  3.000
 E9A  C18  C17  C16  121.11  3.000
 E9A  H26  C18  C19  119.07  3.000
 E9A  H26  C18  C17  119.66  3.000
 E9A  C19  C18  C17  121.26  3.000
 E9A  H27  C19  C18  120.72  3.000
 E9A  H27  C19  C14  121.57  3.000
 E9A  C18  C19  C14  117.71  3.000
 E9A  H28  C20  H29  106.63  3.000
 E9A  H28  C20  O2   110.20  3.000
 E9A  H29  C20  O2   109.14  3.000
 E9A  H28  C20  C12  109.89  3.000
 E9A  H29  C20  C12  110.05  3.000
 E9A  O2   C20  C12  110.84  3.000
 E9A  O2   C21  C26  124.62  3.000
 E9A  O2   C21  C22  116.19  3.000
 E9A  C26  C21  C22  119.18  3.000
 E9A  H30  C22  C23  120.36  3.000
 E9A  H30  C22  C21  119.19  3.000
 E9A  C23  C22  C21  120.45  3.000
 E9A  H31  C23  C24  120.18  3.000
 E9A  H31  C23  C22  119.24  3.000
 E9A  C24  C23  C22  120.58  3.000
 E9A  H32  C24  C25  120.50  3.000
 E9A  H32  C24  C23  120.59  3.000
 E9A  C25  C24  C23  118.91  3.000
 E9A  H33  C25  C26  118.80  3.000
 E9A  H33  C25  C24  120.01  3.000
 E9A  C26  C25  C24  121.18  3.000
 E9A  H34  C26  C25  118.61  3.000
 E9A  H34  C26  C21  121.70  3.000
 E9A  C25  C26  C21  119.68  3.000
 E9A  H17  C9   H18  106.68  3.000
 E9A  H17  C9   C1   110.51  3.000
 E9A  H18  C9   C1   107.92  3.000
 E9A  H17  C9   C8   109.83  3.000
 E9A  H18  C9   C8   107.76  3.000
 E9A  C1   C9   C8   113.82  3.000
 E9A  C21  O2   C20  118.42  3.000
 E9A  H21  C13  H22  108.62  3.000
 E9A  H21  C13  H23  108.47  3.000
 E9A  H22  C13  H23  107.38  3.000
 E9A  H21  C13  N1   112.14  3.000
 E9A  H22  C13  N1   109.59  3.000
 E9A  H23  C13  N1   110.51  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
 E9A  CONST_01  C16  C15  C14  N1    180.00   0.0  0
 E9A  CONST_02  N    C15  C14  N1      0.00   0.0  0
 E9A  CONST_03  C18  C19  C14  N1    180.00   0.0  0
 E9A  CONST_04  C15  N    C12  N1      0.00   0.0  0
 E9A  CONST_05  C17  C16  C15  N     180.00   0.0  0
 E9A  CONST_06  C19  C14  C15  N     180.00   0.0  0
 E9A  CONST_07  C14  N1   C12  N       0.00   0.0  0
 E9A  CONST_08  C16  C15  N    C12   180.00   0.0  0
 E9A  CONST_09  C14  C15  N    C12     0.00   0.0  0
 E9A  CONST_10  C15  C14  N1   C12     0.00   0.0  0
 E9A  CONST_11  C19  C14  N1   C12   180.00   0.0  0
 E9A  CONST_12  C17  C16  C15  C14     0.00   0.0  0
 E9A  CONST_13  C17  C18  C19  C14     0.00   0.0  0
 E9A  CONST_14  C18  C17  C16  C15     0.00   0.0  0
 E9A  CONST_15  C18  C19  C14  C15     0.00   0.0  0
 E9A  CONST_16  C19  C18  C17  C16     0.00   0.0  0
 E9A  CONST_17  C19  C14  C15  C16     0.00   0.0  0
 E9A  CONST_18  C24  C25  C26  C21     0.00   0.0  0
 E9A  CONST_19  C24  C23  C22  C21     0.00   0.0  0
 E9A  CONST_20  C25  C26  C21  C22     0.00   0.0  0
 E9A  CONST_21  C25  C24  C23  C22     0.00   0.0  0
 E9A  CONST_22  C26  C25  C24  C23     0.00   0.0  0
 E9A  CONST_23  C26  C21  C22  C23     0.00   0.0  0
 E9A  CONST_24  C11  N    C12  N1    180.00   0.0  0
 E9A  CONST_25  C13  N1   C12  N     180.00   0.0  0
 E9A  CONST_26  C16  C15  N    C11     0.00   0.0  0
 E9A  CONST_27  C14  C15  N    C11   180.00   0.0  0
 E9A  CONST_28  C15  C14  N1   C13   180.00   0.0  0
 E9A  CONST_29  C19  C14  N1   C13     0.00   0.0  0
 E9A  CONST_32  O2   C21  C22  C23   180.00   0.0  0
 E9A  CONST_33  O2   C21  C26  C25   180.00   0.0  0
 E9A  CONST_34  H27  C19  C14  N1      0.00   0.0  0
 E9A  CONST_35  H24  C16  C15  N       0.00   0.0  0
 E9A  CONST_36  H26  C18  C19  C14   180.00   0.0  0
 E9A  CONST_37  H25  C17  C16  C15   180.00   0.0  0
 E9A  CONST_38  H33  C25  C26  C21   180.00   0.0  0
 E9A  CONST_39  H31  C23  C22  C21   180.00   0.0  0
 E9A  CONST_40  H34  C26  C21  C22   180.00   0.0  0
 E9A  CONST_41  H32  C24  C23  C22   180.00   0.0  0
 E9A  CONST_42  H30  C22  C23  C24   180.00   0.0  0
 E9A  Var_01    C4   C3   C2   C1    -39.42  30.0  1
 E9A  Var_02    O2   C20  C12  N1    -59.19  30.0  2
 E9A  Var_03    C15  N    C11  C10    83.50  30.0  2
 E9A  Var_04    C26  C21  O2   C20     5.65  30.0  2
 E9A  Var_05    H23  C13  N1   C12    42.66  30.0  2
 E9A  Var_06    C11  C10  O    C8   -179.65  30.0  1
 E9A  Var_07    N    C11  C10  O      -5.22  30.0  2
 E9A  Var_08    H12  C6   C5   C4     57.42  30.0  3
 E9A  Var_09    H14  C7   C5   C4    -63.29  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
 E9A  chir_01  C8  O   C4  C9  negativ
 E9A  chir_02  C1  C9  C   C2  negativ
 E9A  chir_03  C4  C3  C8  C5  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
 E9A  plan-1  C21  0.020
 E9A  plan-1  C22  0.020
 E9A  plan-1  C23  0.020
 E9A  plan-1  C24  0.020
 E9A  plan-1  C25  0.020
 E9A  plan-1  C26  0.020
 E9A  plan-1  O2   0.020
 E9A  plan-1  H30  0.020
 E9A  plan-1  H31  0.020
 E9A  plan-1  H32  0.020
 E9A  plan-1  H33  0.020
 E9A  plan-1  H34  0.020
 E9A  plan-2  O    0.020
 E9A  plan-2  C10  0.020
 E9A  plan-2  C11  0.020
 E9A  plan-2  O1   0.020
 E9A  plan-3  N1   0.020
 E9A  plan-3  N    0.020
 E9A  plan-3  C11  0.020
 E9A  plan-3  C12  0.020
 E9A  plan-3  C14  0.020
 E9A  plan-3  C15  0.020
 E9A  plan-3  C16  0.020
 E9A  plan-3  C17  0.020
 E9A  plan-3  C18  0.020
 E9A  plan-3  C19  0.020
 E9A  plan-3  C20  0.020
 E9A  plan-3  H24  0.020
 E9A  plan-3  H25  0.020
 E9A  plan-3  H26  0.020
 E9A  plan-3  H27  0.020
 E9A  plan-3  C13  0.020

