# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Mon Apr 27 17:27:25 2020
#   Inital geometry file: a 177 line input string
#   Ligand name: N-{3-[3-(3'-chlorobiphenyl-4-yl)-1,2-oxazol-5-yl]propanoyl}-L-alpha-glutamyl-L-alpha-glutamine
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1onc(c1)c2ccc(cc2)c3cccc(Cl)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
 EEA  EEA  N-{3-[3-(3'-chlorobiphenyl-4-yl)-1,2-oxazol-5-yl]propanoyl}-L-alpha-glutamyl-L-alpha-glutamine  ligand  68  41  .  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_EEA
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
 EEA  C1   C   CH2    0  -0.591   -0.8936  -0.7648   0.3858
 EEA  CL1  CL  CL     0  -0.127   11.5036   2.3257  -1.5149
 EEA  C2   C   CH2    0  -0.540    0.0592  -1.1607   1.5131
 EEA  O2   O   O      0  -0.495   -2.7488  -1.0628   1.8784
 EEA  C3   C   CR5    0   0.461    1.4250  -1.4472   1.0103
 EEA  C4   C   CR15   0  -0.546    2.6013  -0.7859   1.1085
 EEA  C5   C   CR5    0   0.263    3.5134  -1.5992   0.3838
 EEA  C6   C   CR6    0   0.048    4.9444  -1.3814   0.1607
 EEA  C7   C   CR16   0  -0.269    5.7351  -2.3556  -0.4504
 EEA  C8   C   CR16   0  -0.289    7.0850  -2.1399  -0.6551
 EEA  C9   C   CR6    0   0.079    7.6911  -0.9453  -0.2605
 EEA  C10  C   CR16   0  -0.287    6.8975   0.0253   0.3492
 EEA  C11  C   CR16   0  -0.306    5.5454  -0.1893   0.5578
 EEA  C12  C   C      0   0.572   -2.2953  -0.4949   0.8956
 EEA  N12  N   N      0  -0.182    2.9079  -2.6500  -0.1003
 EEA  O12  O   O      0  -0.337    1.6095  -2.5578   0.2884
 EEA  C18  C   CR6    0   0.087    9.1320  -0.7186  -0.4832
 EEA  C19  C   CR16   0  -0.270    9.5958   0.5464  -0.8453
 EEA  C20  C   CR6    0  -0.022   10.9497   0.7491  -1.0507
 EEA  C21  C   CR16   0  -0.226   11.8689  -0.2779  -0.9052
 EEA  C22  C   CR16   0  -0.245   11.4042  -1.5351  -0.5460
 EEA  C23  C   CR16   0  -0.300   10.0522  -1.7574  -0.3376
 EEA  N2   N   NH1    0  -0.628   -2.9867   0.3960   0.1652
 EEA  C13  C   CH1    0  -0.245   -4.3581   0.7668   0.4107
 EEA  C14  C   C      0   0.587   -5.2127   0.3975  -0.7941
 EEA  O1   O   O      0  -0.492   -4.7932   0.5017  -1.9369
 EEA  C15  C   CH2    0  -0.402   -4.4976   2.2723   0.6738
 EEA  C16  C   CH2    0  -0.586   -3.7788   2.7111   1.9375
 EEA  C17  C   C      0   0.415   -3.8709   4.2154   2.2529
 EEA  O4   O   O      0  -0.608   -4.2961   4.9717   1.3578
 EEA  O4E  O   OC    -1  -0.629   -3.4881   4.5578   3.3909
 EEA  N1   N   NH1    0  -0.633   -6.4595  -0.0062  -0.5091
 EEA  C24  C   CH1    0  -0.189   -7.4627  -0.1375  -1.5322
 EEA  C28  C   C      0   0.518   -7.7696   1.2317  -2.1465
 EEA  O9   O   O      0  -0.480   -7.6072   2.2699  -1.5268
 EEA  C25  C   CH2    0  -0.448   -8.7404  -0.7506  -0.9541
 EEA  C26  C   CH2    0  -0.585   -8.5382  -2.1682  -0.4430
 EEA  C27  C   C      0   0.418   -9.8230  -2.8794   0.0238
 EEA  O8   O   O      0  -0.606  -10.9097  -2.2989  -0.1640
 EEA  O8E  O   OC    -1  -0.628   -9.6615  -3.9997   0.5499
 EEA  N9   N   NH2    0  -0.802   -8.2649   1.1776  -3.3901
 EEA  H1   H   HCH2   0   0.273   -0.5049   0.1059  -0.1458
 EEA  H2   H   HCH2   0   0.290   -0.9641  -1.5703  -0.3514
 EEA  H4   H   HCH2   0   0.278    0.1358  -0.3536   2.2423
 EEA  H5   H   HCH2   0   0.279   -0.3280  -2.0338   2.0415
 EEA  H7   H   HCR5   0   0.285    2.7870   0.1401   1.6252
 EEA  H8   H   HCR6   0   0.261    5.2942  -3.2891  -0.7738
 EEA  H9   H   HCR6   0   0.262    7.6692  -2.9069  -1.1474
 EEA  H12  H   HCR6   0   0.263    7.3388   0.9546   0.6862
 EEA  H13  H   HCR6   0   0.262    4.9627   0.5859   1.0384
 EEA  H19  H   HCR6   0   0.280    8.9004   1.3633  -0.9878
 EEA  H20  H   HCR6   0   0.283   12.9232  -0.1028  -1.0684
 EEA  H21  H   HCR6   0   0.271   12.1094  -2.3458  -0.4216
 EEA  H22  H   HCR6   0   0.264    9.7153  -2.7413  -0.0385
 EEA  H6   H   HNH1   0   0.398   -2.5383   0.8111  -0.6369
 EEA  H14  H   HCH1   0   0.271   -4.6941   0.2154   1.2906
 EEA  H15  H   HCH2   0   0.224   -4.1167   2.8207  -0.1916
 EEA  H16  H   HCH2   0   0.234   -5.5618   2.5108   0.7415
 EEA  H17  H   HCH2   0   0.220   -4.1565   2.1477   2.7970
 EEA  H18  H   HCH2   0   0.231   -2.7164   2.4518   1.8665
 EEA  H3   H   HNH1   0   0.403   -6.7649   0.0079   0.4515
 EEA  H23  H   HCH1   0   0.268   -7.0853  -0.8001  -2.3178
 EEA  H24  H   HCH2   0   0.233   -9.1207  -0.1037  -0.1573
 EEA  H25  H   HCH2   0   0.244   -9.5015  -0.7523  -1.7355
 EEA  H26  H   HCH2   0   0.230   -8.0829  -2.7766  -1.2337
 EEA  H27  H   HCH2   0   0.228   -7.8191  -2.1882   0.3815
 EEA  H10  H   HNH2   0   0.407   -8.3782   0.3064  -3.8793
 EEA  H11  H   HNH2   0   0.402   -8.5598   2.0155  -3.8642

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
 EEA  O4   C17  deloc     1.247  0.020  1.247
 EEA  C17  C16  single    1.540  0.020  1.540
 EEA  C17  O4E  deloc     1.249  0.020  1.249
 EEA  C1   C12  single    1.516  0.020  1.516
 EEA  C1   C2   single    1.528  0.020  1.528
 EEA  C16  C15  single    1.519  0.020  1.519
 EEA  C12  O2   double    1.222  0.020  1.222
 EEA  C12  N2   single    1.344  0.020  1.344
 EEA  C2   C3   single    1.483  0.020  1.483
 EEA  N2   C13  single    1.442  0.020  1.442
 EEA  C15  C13  single    1.535  0.020  1.535
 EEA  C4   C3   aromatic  1.353  0.020  1.353
 EEA  C4   C5   aromatic  1.421  0.020  1.421
 EEA  C3   O12  aromatic  1.337  0.020  1.337
 EEA  C11  C10  aromatic  1.385  0.020  1.385
 EEA  C11  C6   aromatic  1.393  0.020  1.393
 EEA  C13  C14  single    1.523  0.020  1.523
 EEA  C10  C9   aromatic  1.394  0.020  1.394
 EEA  C5   C6   single    1.465  0.020  1.465
 EEA  C5   N12  aromatic  1.306  0.020  1.306
 EEA  O12  N12  aromatic  1.358  0.020  1.358
 EEA  C6   C7   aromatic  1.396  0.020  1.396
 EEA  C23  C22  aromatic  1.386  0.020  1.386
 EEA  C23  C18  aromatic  1.395  0.020  1.395
 EEA  C14  O1   double    1.222  0.020  1.222
 EEA  C14  N1   single    1.341  0.020  1.341
 EEA  C9   C18  single    1.475  0.020  1.475
 EEA  C9   C8   aromatic  1.396  0.020  1.396
 EEA  C22  C21  aromatic  1.388  0.020  1.388
 EEA  C18  C19  aromatic  1.395  0.020  1.395
 EEA  C7   C8   aromatic  1.382  0.020  1.382
 EEA  O9   C28  double    1.220  0.020  1.220
 EEA  N1   C24  single    1.439  0.020  1.439
 EEA  C21  C20  aromatic  1.386  0.020  1.386
 EEA  C28  C24  single    1.532  0.020  1.532
 EEA  C28  N9   single    1.340  0.020  1.340
 EEA  C19  C20  aromatic  1.384  0.020  1.384
 EEA  C24  C25  single    1.531  0.020  1.531
 EEA  C20  CL1  single    1.734  0.020  1.734
 EEA  C25  C26  single    1.520  0.020  1.520
 EEA  C26  C27  single    1.541  0.020  1.541
 EEA  O8   C27  deloc     1.246  0.020  1.246
 EEA  C27  O8E  deloc     1.248  0.020  1.248
 EEA  C1   H1   single    0.970  0.020  1.090
 EEA  C1   H2   single    0.970  0.020  1.090
 EEA  N1   H3   single    0.860  0.020  1.020
 EEA  C2   H4   single    0.970  0.020  1.090
 EEA  C2   H5   single    0.970  0.020  1.090
 EEA  N2   H6   single    0.860  0.020  1.020
 EEA  C4   H7   single    0.930  0.020  1.080
 EEA  C7   H8   single    0.930  0.020  1.080
 EEA  C8   H9   single    0.930  0.020  1.080
 EEA  N9   H10  single    0.860  0.020  1.020
 EEA  N9   H11  single    0.860  0.020  1.020
 EEA  C10  H12  single    0.930  0.020  1.080
 EEA  C11  H13  single    0.930  0.020  1.080
 EEA  C13  H14  single    0.970  0.020  1.090
 EEA  C15  H15  single    0.970  0.020  1.090
 EEA  C15  H16  single    0.970  0.020  1.090
 EEA  C16  H17  single    0.970  0.020  1.090
 EEA  C16  H18  single    0.970  0.020  1.090
 EEA  C19  H19  single    0.930  0.020  1.080
 EEA  C21  H20  single    0.930  0.020  1.080
 EEA  C22  H21  single    0.930  0.020  1.080
 EEA  C23  H22  single    0.930  0.020  1.080
 EEA  C24  H23  single    0.970  0.020  1.090
 EEA  C25  H24  single    0.970  0.020  1.090
 EEA  C25  H25  single    0.970  0.020  1.090
 EEA  C26  H26  single    0.970  0.020  1.090
 EEA  C26  H27  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
 EEA  H2   C1   H1   106.37  3.000
 EEA  H2   C1   C12  107.35  3.000
 EEA  H1   C1   C12  110.55  3.000
 EEA  H2   C1   C2   110.27  3.000
 EEA  H1   C1   C2   110.11  3.000
 EEA  C12  C1   C2   112.00  3.000
 EEA  H5   C2   H4   107.06  3.000
 EEA  H5   C2   C3   109.65  3.000
 EEA  H4   C2   C3   107.75  3.000
 EEA  H5   C2   C1   110.07  3.000
 EEA  H4   C2   C1   110.20  3.000
 EEA  C3   C2   C1   111.97  3.000
 EEA  O12  C3   C4   108.97  3.000
 EEA  O12  C3   C2   118.06  3.000
 EEA  C4   C3   C2   132.96  3.000
 EEA  H7   C4   C5   128.79  3.000
 EEA  H7   C4   C3   127.24  3.000
 EEA  C5   C4   C3   103.96  3.000
 EEA  N12  C5   C6   121.09  3.000
 EEA  N12  C5   C4   110.61  3.000
 EEA  C6   C5   C4   128.30  3.000
 EEA  C11  C6   C7   118.54  3.000
 EEA  C7   C6   C5   121.10  3.000
 EEA  C11  C6   C5   120.36  3.000
 EEA  H8   C7   C8   119.23  3.000
 EEA  H8   C7   C6   120.16  3.000
 EEA  C8   C7   C6   120.61  3.000
 EEA  H9   C8   C9   120.02  3.000
 EEA  H9   C8   C7   118.93  3.000
 EEA  C9   C8   C7   121.03  3.000
 EEA  C18  C9   C10  121.00  3.000
 EEA  C18  C9   C8   120.83  3.000
 EEA  C10  C9   C8   118.17  3.000
 EEA  H12  C10  C11  118.96  3.000
 EEA  H12  C10  C9   120.11  3.000
 EEA  C11  C10  C9   120.92  3.000
 EEA  H13  C11  C10  118.79  3.000
 EEA  H13  C11  C6   120.48  3.000
 EEA  C10  C11  C6   120.73  3.000
 EEA  N2   C12  O2   123.66  3.000
 EEA  N2   C12  C1   114.27  3.000
 EEA  O2   C12  C1   122.06  3.000
 EEA  O12  N12  C5   106.41  3.000
 EEA  N12  O12  C3   110.04  3.000
 EEA  C23  C18  C19  118.87  3.000
 EEA  C19  C18  C9   120.20  3.000
 EEA  C23  C18  C9   120.92  3.000
 EEA  H19  C19  C20  119.90  3.000
 EEA  H19  C19  C18  120.33  3.000
 EEA  C20  C19  C18  119.76  3.000
 EEA  C21  C20  C19  121.64  3.000
 EEA  C19  C20  CL1  119.02  3.000
 EEA  C21  C20  CL1  119.33  3.000
 EEA  H20  C21  C22  120.83  3.000
 EEA  H20  C21  C20  120.72  3.000
 EEA  C22  C21  C20  118.45  3.000
 EEA  H21  C22  C23  119.89  3.000
 EEA  H21  C22  C21  119.37  3.000
 EEA  C23  C22  C21  120.73  3.000
 EEA  H22  C23  C22  119.42  3.000
 EEA  H22  C23  C18  120.02  3.000
 EEA  C22  C23  C18  120.54  3.000
 EEA  H6   N2   C13  116.91  3.000
 EEA  H6   N2   C12  118.46  3.000
 EEA  C13  N2   C12  124.57  3.000
 EEA  H14  C13  C15  109.23  3.000
 EEA  H14  C13  C14  110.04  3.000
 EEA  C15  C13  C14  108.82  3.000
 EEA  H14  C13  N2   107.47  3.000
 EEA  C14  C13  N2   109.68  3.000
 EEA  C15  C13  N2   111.59  3.000
 EEA  N1   C14  O1   122.93  3.000
 EEA  N1   C14  C13  115.25  3.000
 EEA  O1   C14  C13  121.78  3.000
 EEA  H16  C15  H15  106.20  3.000
 EEA  H16  C15  C16  110.26  3.000
 EEA  H15  C15  C16  110.42  3.000
 EEA  H16  C15  C13  108.26  3.000
 EEA  H15  C15  C13  108.95  3.000
 EEA  C16  C15  C13  112.52  3.000
 EEA  H18  C16  H17  105.28  3.000
 EEA  H18  C16  C17  107.60  3.000
 EEA  H17  C16  C17  108.74  3.000
 EEA  H18  C16  C15  109.67  3.000
 EEA  H17  C16  C15  109.96  3.000
 EEA  C17  C16  C15  115.11  3.000
 EEA  O4E  C17  O4   126.35  3.000
 EEA  O4E  C17  C16  115.87  3.000
 EEA  O4   C17  C16  117.78  3.000
 EEA  H3   N1   C24  117.88  3.000
 EEA  H3   N1   C14  118.68  3.000
 EEA  C24  N1   C14  121.63  3.000
 EEA  H23  C24  C25  108.44  3.000
 EEA  H23  C24  C28  108.80  3.000
 EEA  C25  C24  C28  110.01  3.000
 EEA  H23  C24  N1   108.97  3.000
 EEA  C25  C24  N1   110.49  3.000
 EEA  C28  C24  N1   110.08  3.000
 EEA  N9   C28  O9   123.72  3.000
 EEA  N9   C28  C24  114.22  3.000
 EEA  O9   C28  C24  122.02  3.000
 EEA  H25  C25  H24  106.26  3.000
 EEA  H25  C25  C26  109.40  3.000
 EEA  H24  C25  C26  110.65  3.000
 EEA  H25  C25  C24  108.21  3.000
 EEA  H24  C25  C24  109.16  3.000
 EEA  C26  C25  C24  112.91  3.000
 EEA  H27  C26  H26  105.08  3.000
 EEA  H27  C26  C27  108.13  3.000
 EEA  H26  C26  C27  107.97  3.000
 EEA  H27  C26  C25  110.96  3.000
 EEA  H26  C26  C25  109.28  3.000
 EEA  C27  C26  C25  114.91  3.000
 EEA  O8E  C27  O8   126.47  3.000
 EEA  O8E  C27  C26  115.73  3.000
 EEA  O8   C27  C26  117.80  3.000
 EEA  H11  N9   H10  117.32  3.000
 EEA  H11  N9   C28  120.78  3.000
 EEA  H10  N9   C28  121.89  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
 EEA  CONST_01  C6   C5   C4   C3    180.00   0.0  0
 EEA  CONST_02  N12  C5   C4   C3      0.00   0.0  0
 EEA  CONST_03  C5   N12  O12  C3      0.00   0.0  0
 EEA  CONST_04  N12  O12  C3   C4      0.00   0.0  0
 EEA  CONST_05  C11  C6   C5   C4      0.00   0.0  0
 EEA  CONST_06  C7   C6   C5   C4    180.00   0.0  0
 EEA  CONST_07  O12  N12  C5   C4      0.00   0.0  0
 EEA  CONST_08  O12  C3   C4   C5      0.00   0.0  0
 EEA  CONST_09  C10  C11  C6   C5    180.00   0.0  0
 EEA  CONST_10  C8   C7   C6   C5    180.00   0.0  0
 EEA  CONST_11  C9   C10  C11  C6      0.00   0.0  0
 EEA  CONST_12  O12  N12  C5   C6    180.00   0.0  0
 EEA  CONST_13  C9   C8   C7   C6      0.00   0.0  0
 EEA  CONST_14  C10  C11  C6   C7      0.00   0.0  0
 EEA  CONST_15  N12  C5   C6   C7      0.00   0.0  0
 EEA  CONST_16  C10  C9   C8   C7      0.00   0.0  0
 EEA  CONST_17  C18  C9   C8   C7    180.00   0.0  0
 EEA  CONST_18  C11  C10  C9   C8      0.00   0.0  0
 EEA  CONST_21  C11  C6   C7   C8      0.00   0.0  0
 EEA  CONST_22  C22  C23  C18  C9    180.00   0.0  0
 EEA  CONST_23  C20  C19  C18  C9    180.00   0.0  0
 EEA  CONST_26  C18  C9   C10  C11   180.00   0.0  0
 EEA  CONST_27  N12  C5   C6   C11   180.00   0.0  0
 EEA  CONST_28  C21  C22  C23  C18     0.00   0.0  0
 EEA  CONST_29  C21  C20  C19  C18     0.00   0.0  0
 EEA  CONST_30  C22  C23  C18  C19     0.00   0.0  0
 EEA  CONST_31  C22  C21  C20  C19     0.00   0.0  0
 EEA  CONST_32  C23  C22  C21  C20     0.00   0.0  0
 EEA  CONST_33  C23  C18  C19  C20     0.00   0.0  0
 EEA  CONST_34  C22  C21  C20  CL1   180.00   0.0  0
 EEA  CONST_35  C18  C19  C20  CL1   180.00   0.0  0
 EEA  CONST_36  C5   C4   C3   C2    180.00   0.0  0
 EEA  CONST_37  N12  O12  C3   C2    180.00   0.0  0
 EEA  CONST_38  H13  C11  C6   C5      0.00   0.0  0
 EEA  CONST_39  H8   C7   C6   C5      0.00   0.0  0
 EEA  CONST_40  H12  C10  C11  C6    180.00   0.0  0
 EEA  CONST_41  H7   C4   C5   C6      0.00   0.0  0
 EEA  CONST_42  H9   C8   C7   C6    180.00   0.0  0
 EEA  CONST_43  H22  C23  C18  C9      0.00   0.0  0
 EEA  CONST_44  H19  C19  C18  C9      0.00   0.0  0
 EEA  CONST_45  H21  C22  C23  C18   180.00   0.0  0
 EEA  CONST_46  H20  C21  C20  C19   180.00   0.0  0
 EEA  CONST_47  C13  N2   C12  C1    180.00   0.0  0
 EEA  CONST_48  C13  N2   C12  O2      0.00   0.0  0
 EEA  CONST_49  C24  N1   C14  C13   180.00   0.0  0
 EEA  CONST_50  C24  N1   C14  O1      0.00   0.0  0
 EEA  CONST_51  H6   N2   C12  C1      0.00   0.0  0
 EEA  CONST_52  H3   N1   C14  C13     0.00   0.0  0
 EEA  CONST_53  H10  N9   C28  C24     0.00   0.0  0
 EEA  CONST_54  H11  N9   C28  C24   180.00   0.0  0
 EEA  Var_01    C4   C3   C2   C1    108.38  30.0  2
 EEA  Var_02    C12  C1   C2   C3    179.03  30.0  2
 EEA  Var_03    O2   C12  C1   C2    -29.93  30.0  3
 EEA  Var_04    C17  C16  C15  C13   179.53  30.0  1
 EEA  Var_05    O4   C17  C16  C15   -12.71  30.0  2
 EEA  Var_06    C27  C26  C25  C24  -174.36  30.0  3
 EEA  Var_07    O8   C27  C26  C25     6.31  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
 EEA  chir_01  C13  N2  C15  C14  negativ
 EEA  chir_02  C24  N1  C28  C25  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
 EEA  plan-1  C2   0.020
 EEA  plan-1  C3   0.020
 EEA  plan-1  C4   0.020
 EEA  plan-1  C5   0.020
 EEA  plan-1  C6   0.020
 EEA  plan-1  N12  0.020
 EEA  plan-1  O12  0.020
 EEA  plan-1  H7   0.020
 EEA  plan-2  C16  0.020
 EEA  plan-2  C17  0.020
 EEA  plan-2  O4   0.020
 EEA  plan-2  O4E  0.020
 EEA  plan-3  C26  0.020
 EEA  plan-3  C27  0.020
 EEA  plan-3  O8   0.020
 EEA  plan-3  O8E  0.020
 EEA  plan-4  C5   0.020
 EEA  plan-4  C6   0.020
 EEA  plan-4  C7   0.020
 EEA  plan-4  C8   0.020
 EEA  plan-4  C9   0.020
 EEA  plan-4  C10  0.020
 EEA  plan-4  C11  0.020
 EEA  plan-4  C18  0.020
 EEA  plan-4  H8   0.020
 EEA  plan-4  H9   0.020
 EEA  plan-4  H12  0.020
 EEA  plan-4  H13  0.020
 EEA  plan-5  CL1  0.020
 EEA  plan-5  C9   0.020
 EEA  plan-5  C18  0.020
 EEA  plan-5  C19  0.020
 EEA  plan-5  C20  0.020
 EEA  plan-5  C21  0.020
 EEA  plan-5  C22  0.020
 EEA  plan-5  C23  0.020
 EEA  plan-5  H19  0.020
 EEA  plan-5  H20  0.020
 EEA  plan-5  H21  0.020
 EEA  plan-5  H22  0.020
 EEA  plan-6  C1   0.020
 EEA  plan-6  O2   0.020
 EEA  plan-6  C12  0.020
 EEA  plan-6  N2   0.020
 EEA  plan-6  C13  0.020
 EEA  plan-6  H6   0.020
 EEA  plan-7  C13  0.020
 EEA  plan-7  C14  0.020
 EEA  plan-7  O1   0.020
 EEA  plan-7  N1   0.020
 EEA  plan-7  C24  0.020
 EEA  plan-7  H3   0.020
 EEA  plan-8  C24  0.020
 EEA  plan-8  C28  0.020
 EEA  plan-8  O9   0.020
 EEA  plan-8  N9   0.020
 EEA  plan-8  H10  0.020
 EEA  plan-8  H11  0.020

