# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version 1.18.1-3865-
#   - file written: Tue May 19 11:59:32 2020
#   Inital geometry file: a 170 line input string
#   Ligand name: 2-(3-chlorophenoxy)-4-{(1R)-3-methyl-1-[(3S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl]butyl}benzoic acid
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: CC(C)C[C@@H](N1CCC[C@@H](C1)N2C=C(C)C(=O)NC2=O)c3ccc(C(O)=O)c(Oc4cccc(Cl)c4)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
 13Y  13Y  '2-(3-chlorophenoxy)-4-{(1R)-3-methyl-1-[(3S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl]butyl}benzoic acid'  ligand  68  37  .  2021-08-03  2021-08-03  
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as OK
;

data_comp_13Y
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
 13Y  C2   C   CR6    0  -0.027   5.6768  -2.7903   1.5636
 13Y  C4   C   CR16   0  -0.258   5.8874  -0.7007   0.4532
 13Y  C5   C   CR16   0  -0.330   4.5525  -0.7486   0.0809
 13Y  C6   C   CR6    0   0.414   3.7779  -1.8381   0.4662
 13Y  CL1  CL  CL     0  -0.132   6.3722  -4.0805   2.4930
 13Y  C3   C   CR16   0  -0.243   6.4720  -1.7158   1.1968
 13Y  C7   C   CR16   0  -0.309   4.3404  -2.8688   1.2148
 13Y  O8   O   O2     0  -0.506   2.4636  -1.9681   0.1829
 13Y  C9   C   CR6    0   0.292   1.8225  -0.9507  -0.4858
 13Y  C10  C   CR6    0  -0.148   1.6560  -0.9901  -1.8659
 13Y  C11  C   CR16   0  -0.288   0.9133   0.0473  -2.4344
 13Y  C12  C   CR16   0  -0.272   0.4127   1.0937  -1.6813
 13Y  C13  C   CR6    0   0.082   0.6008   1.1210  -0.3013
 13Y  C14  C   CR16   0  -0.356   1.2925   0.0741   0.2875
 13Y  C15  C   CH1    0  -0.087   0.1088   2.2871   0.5253
 13Y  C16  C   CH2    0  -0.436   1.0101   3.5036   0.2544
 13Y  C17  C   CH1    0  -0.240   2.5090   3.2741   0.4599
 13Y  C18  C   CH3    0  -0.648   3.2803   4.5062  -0.0048
 13Y  C19  C   CH3    0  -0.656   2.8454   2.9546   1.9136
 13Y  N20  N   NT     0  -0.433  -1.2941   2.5608   0.2065
 13Y  C22  C   CH2    0  -0.290  -1.8309   3.7513   0.8528
 13Y  C23  C   CH2    0  -0.448  -3.2465   4.0454   0.3776
 13Y  C24  C   CH2    0  -0.438  -4.1818   2.8645   0.6037
 13Y  C25  C   CH1    0  -0.090  -3.5354   1.6339  -0.0127
 13Y  C26  C   CH2    0  -0.271  -2.1262   1.4103   0.5307
 13Y  N27  N   NR6    0  -0.549  -4.3680   0.4220   0.0555
 13Y  C28  C   CR16   0   0.054  -4.7994  -0.1453  -1.1150
 13Y  C29  C   CR6    0  -0.181  -5.5690  -1.2457  -1.1981
 13Y  C30  C   CR6    0   0.554  -5.9735  -1.8803   0.0373
 13Y  O31  O   O      0  -0.460  -6.6671  -2.8787   0.1212
 13Y  N32  N   NR16   0  -0.731  -5.4999  -1.2540   1.1744
 13Y  C34  C   CR6    0   0.737  -4.7111  -0.1341   1.2641
 13Y  O35  O   O      0  -0.485  -4.3578   0.3059   2.3400
 13Y  C36  C   CH3    0  -0.706  -6.0170  -1.8308  -2.4970
 13Y  C37  C   C      0   0.389   2.2392  -2.0748  -2.7649
 13Y  O38  O   OC    -1  -0.596   1.6249  -2.2827  -3.8291
 13Y  O39  O   O      0  -0.575   3.2792  -2.6323  -2.3755
 13Y  H1   H   HCR6   0   0.268   6.4881   0.1476   0.1522
 13Y  H2   H   HCR6   0   0.277   4.1300   0.0588  -0.5012
 13Y  H3   H   HCR6   0   0.274   7.5135  -1.6690   1.4819
 13Y  H4   H   HCR6   0   0.285   3.7347  -3.7126   1.5183
 13Y  H5   H   HCR6   0   0.247   0.7413   0.0314  -3.5027
 13Y  H6   H   HCR6   0   0.242  -0.1457   1.8874  -2.1616
 13Y  H7   H   HCR6   0   0.256   1.4276   0.0459   1.3631
 13Y  H8   H   HCH1   0   0.212   0.2090   2.0168   1.5917
 13Y  H9   H   HCH2   0   0.226   0.8303   3.8394  -0.7727
 13Y  H10  H   HCH2   0   0.231   0.7213   4.3319   0.9073
 13Y  H11  H   HCH1   0   0.228   2.8299   2.4292  -0.1579
 13Y  H12  H   HCH3   0   0.212   2.9753   5.3943   0.5550
 13Y  H13  H   HCH3   0   0.225   4.3545   4.3783   0.1396
 13Y  H14  H   HCH3   0   0.224   3.1084   4.7068  -1.0639
 13Y  H15  H   HCH3   0   0.226   2.3198   2.0712   2.2762
 13Y  H16  H   HCH3   0   0.226   3.9140   2.7691   2.0349
 13Y  H17  H   HCH3   0   0.214   2.5761   3.7885   2.5669
 13Y  H19  H   HCH2   0   0.190  -1.8210   3.6488   1.9526
 13Y  H20  H   HCH2   0   0.249  -1.2119   4.6128   0.6104
 13Y  H21  H   HCH2   0   0.242  -3.6214   4.9262   0.9017
 13Y  H22  H   HCH2   0   0.224  -3.2170   4.2972  -0.6863
 13Y  H23  H   HCH2   0   0.239  -4.3374   2.7195   1.6733
 13Y  H24  H   HCH2   0   0.245  -5.1566   3.0511   0.1479
 13Y  H25  H   HCH1   0   0.260  -3.4201   1.8271  -1.0813
 13Y  H26  H   HCH2   0   0.256  -1.7128   0.5169   0.0608
 13Y  H27  H   HCH2   0   0.218  -2.1517   1.2289   1.6145
 13Y  H28  H   HCR6   0   0.311  -4.4731   0.3632  -2.0122
 13Y  H29  H   HNR6   0   0.423  -5.7475  -1.6741   2.0619
 13Y  H30  H   HCH3   0   0.246  -5.6755  -2.8606  -2.6103
 13Y  H31  H   HCH3   0   0.246  -7.1051  -1.8417  -2.5754
 13Y  H32  H   HCH3   0   0.246  -5.6277  -1.2563  -3.3360

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
 13Y  O31  C30  double    1.219  0.020  1.219
 13Y  N32  C30  single    1.382  0.020  1.382
 13Y  N32  C34  single    1.373  0.020  1.373
 13Y  C30  C29  single    1.447  0.020  1.447
 13Y  O35  C34  double    1.215  0.020  1.215
 13Y  C34  N27  single    1.374  0.020  1.374
 13Y  C29  C36  single    1.493  0.020  1.493
 13Y  C29  C28  double    1.345  0.020  1.345
 13Y  CL1  C2   single    1.736  0.020  1.736
 13Y  N27  C28  single    1.370  0.020  1.370
 13Y  N27  C25  single    1.472  0.020  1.472
 13Y  C3   C2   aromatic  1.386  0.020  1.386
 13Y  C3   C4   aromatic  1.387  0.020  1.387
 13Y  C2   C7   aromatic  1.383  0.020  1.383
 13Y  C25  C26  single    1.527  0.020  1.527
 13Y  C25  C24  single    1.521  0.020  1.521
 13Y  C4   C5   aromatic  1.387  0.020  1.387
 13Y  C7   C6   aromatic  1.393  0.020  1.393
 13Y  C26  N20  single    1.456  0.020  1.456
 13Y  C19  C17  single    1.526  0.020  1.526
 13Y  C24  C23  single    1.523  0.020  1.523
 13Y  C5   C6   aromatic  1.391  0.020  1.391
 13Y  C6   O8   single    1.351  0.020  1.351
 13Y  C16  C17  single    1.530  0.020  1.530
 13Y  C16  C15  single    1.538  0.020  1.538
 13Y  N20  C15  single    1.464  0.020  1.464
 13Y  N20  C22  single    1.457  0.020  1.457
 13Y  C17  C18  single    1.526  0.020  1.526
 13Y  C23  C22  single    1.522  0.020  1.522
 13Y  O8   C9   single    1.376  0.020  1.376
 13Y  C14  C9   aromatic  1.389  0.020  1.389
 13Y  C14  C13  aromatic  1.386  0.020  1.386
 13Y  C15  C13  single    1.512  0.020  1.512
 13Y  C9   C10  aromatic  1.391  0.020  1.391
 13Y  C13  C12  aromatic  1.393  0.020  1.393
 13Y  C10  C11  aromatic  1.397  0.020  1.397
 13Y  C10  C37  single    1.525  0.020  1.525
 13Y  C12  C11  aromatic  1.383  0.020  1.383
 13Y  O39  C37  deloc     1.243  0.020  1.243
 13Y  C37  O38  deloc     1.246  0.020  1.246
 13Y  C4   H1   single    0.930  0.020  1.080
 13Y  C5   H2   single    0.930  0.020  1.080
 13Y  C3   H3   single    0.930  0.020  1.080
 13Y  C7   H4   single    0.930  0.020  1.080
 13Y  C11  H5   single    0.930  0.020  1.080
 13Y  C12  H6   single    0.930  0.020  1.080
 13Y  C14  H7   single    0.930  0.020  1.080
 13Y  C15  H8   single    0.970  0.020  1.090
 13Y  C16  H9   single    0.970  0.020  1.090
 13Y  C16  H10  single    0.970  0.020  1.090
 13Y  C17  H11  single    0.970  0.020  1.090
 13Y  C18  H12  single    0.970  0.020  1.090
 13Y  C18  H13  single    0.970  0.020  1.090
 13Y  C18  H14  single    0.970  0.020  1.090
 13Y  C19  H15  single    0.970  0.020  1.090
 13Y  C19  H16  single    0.970  0.020  1.090
 13Y  C19  H17  single    0.970  0.020  1.090
 13Y  C22  H19  single    0.970  0.020  1.090
 13Y  C22  H20  single    0.970  0.020  1.090
 13Y  C23  H21  single    0.970  0.020  1.090
 13Y  C23  H22  single    0.970  0.020  1.090
 13Y  C24  H23  single    0.970  0.020  1.090
 13Y  C24  H24  single    0.970  0.020  1.090
 13Y  C25  H25  single    0.970  0.020  1.090
 13Y  C26  H26  single    0.970  0.020  1.090
 13Y  C26  H27  single    0.970  0.020  1.090
 13Y  C28  H28  single    0.930  0.020  1.080
 13Y  N32  H29  single    0.860  0.020  1.020
 13Y  C36  H30  single    0.970  0.020  1.090
 13Y  C36  H31  single    0.970  0.020  1.090
 13Y  C36  H32  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
 13Y  C7   C2   C3   122.10  3.000
 13Y  C7   C2   CL1  118.68  3.000
 13Y  C3   C2   CL1  119.22  3.000
 13Y  H1   C4   C3   119.25  3.000
 13Y  H1   C4   C5   119.13  3.000
 13Y  C3   C4   C5   121.62  3.000
 13Y  H2   C5   C6   121.08  3.000
 13Y  H2   C5   C4   119.66  3.000
 13Y  C6   C5   C4   119.25  3.000
 13Y  O8   C6   C7   115.75  3.000
 13Y  O8   C6   C5   123.99  3.000
 13Y  C7   C6   C5   120.24  3.000
 13Y  H3   C3   C4   121.04  3.000
 13Y  H3   C3   C2   121.10  3.000
 13Y  C4   C3   C2   117.85  3.000
 13Y  H4   C7   C6   120.12  3.000
 13Y  H4   C7   C2   120.95  3.000
 13Y  C6   C7   C2   118.93  3.000
 13Y  C9   O8   C6   118.95  3.000
 13Y  C14  C9   C10  121.86  3.000
 13Y  C10  C9   O8   121.14  3.000
 13Y  C14  C9   O8   116.92  3.000
 13Y  C37  C10  C11  119.45  3.000
 13Y  C37  C10  C9   124.02  3.000
 13Y  C11  C10  C9   116.52  3.000
 13Y  H5   C11  C12  119.42  3.000
 13Y  H5   C11  C10  118.39  3.000
 13Y  C12  C11  C10  122.19  3.000
 13Y  H6   C12  C13  119.65  3.000
 13Y  H6   C12  C11  119.98  3.000
 13Y  C13  C12  C11  120.36  3.000
 13Y  C15  C13  C14  120.85  3.000
 13Y  C15  C13  C12  120.85  3.000
 13Y  C14  C13  C12  118.25  3.000
 13Y  H7   C14  C13  120.21  3.000
 13Y  H7   C14  C9   119.05  3.000
 13Y  C13  C14  C9   120.75  3.000
 13Y  H8   C15  N20  110.05  3.000
 13Y  H8   C15  C16  108.08  3.000
 13Y  N20  C15  C16  112.04  3.000
 13Y  H8   C15  C13  108.03  3.000
 13Y  N20  C15  C13  109.69  3.000
 13Y  C16  C15  C13  108.85  3.000
 13Y  H10  C16  H9   106.51  3.000
 13Y  H10  C16  C17  106.98  3.000
 13Y  H9   C16  C17  109.43  3.000
 13Y  H10  C16  C15  109.83  3.000
 13Y  H9   C16  C15  108.15  3.000
 13Y  C17  C16  C15  115.58  3.000
 13Y  H11  C17  C19  108.15  3.000
 13Y  H11  C17  C18  107.64  3.000
 13Y  C19  C17  C18  110.35  3.000
 13Y  H11  C17  C16  109.09  3.000
 13Y  C18  C17  C16  109.45  3.000
 13Y  C19  C17  C16  112.05  3.000
 13Y  H14  C18  H13  107.75  3.000
 13Y  H14  C18  H12  107.67  3.000
 13Y  H13  C18  H12  107.58  3.000
 13Y  H14  C18  C17  111.36  3.000
 13Y  H13  C18  C17  111.26  3.000
 13Y  H12  C18  C17  111.04  3.000
 13Y  H17  C19  H16  107.73  3.000
 13Y  H17  C19  H15  107.50  3.000
 13Y  H16  C19  H15  107.30  3.000
 13Y  H17  C19  C17  110.82  3.000
 13Y  H16  C19  C17  110.94  3.000
 13Y  H15  C19  C17  112.35  3.000
 13Y  C26  N20  C22  109.64  3.000
 13Y  C22  N20  C15  114.14  3.000
 13Y  C26  N20  C15  110.56  3.000
 13Y  H20  C22  H19  106.87  3.000
 13Y  H20  C22  C23  107.85  3.000
 13Y  H19  C22  C23  109.71  3.000
 13Y  H20  C22  N20  109.78  3.000
 13Y  H19  C22  N20  111.26  3.000
 13Y  C23  C22  N20  111.22  3.000
 13Y  H22  C23  H21  106.89  3.000
 13Y  H22  C23  C24  109.84  3.000
 13Y  H21  C23  C24  110.09  3.000
 13Y  H22  C23  C22  108.86  3.000
 13Y  H21  C23  C22  109.00  3.000
 13Y  C24  C23  C22  112.02  3.000
 13Y  H24  C24  H23  107.73  3.000
 13Y  H24  C24  C25  110.40  3.000
 13Y  H23  C24  C25  110.53  3.000
 13Y  H24  C24  C23  110.71  3.000
 13Y  H23  C24  C23  109.65  3.000
 13Y  C25  C24  C23  107.83  3.000
 13Y  H25  C25  N27  104.52  3.000
 13Y  H25  C25  C26  106.07  3.000
 13Y  N27  C25  C26  112.65  3.000
 13Y  H25  C25  C24  107.36  3.000
 13Y  C26  C25  C24  111.51  3.000
 13Y  N27  C25  C24  114.02  3.000
 13Y  H27  C26  H26  107.36  3.000
 13Y  H27  C26  C25  110.71  3.000
 13Y  H26  C26  C25  108.45  3.000
 13Y  H27  C26  N20  111.29  3.000
 13Y  H26  C26  N20  109.55  3.000
 13Y  C25  C26  N20  109.41  3.000
 13Y  C34  N27  C28  120.35  3.000
 13Y  C28  N27  C25  118.64  3.000
 13Y  C34  N27  C25  121.01  3.000
 13Y  H28  C28  C29  120.39  3.000
 13Y  H28  C28  N27  114.77  3.000
 13Y  C29  C28  N27  124.85  3.000
 13Y  C36  C29  C30  119.15  3.000
 13Y  C36  C29  C28  123.08  3.000
 13Y  C30  C29  C28  117.78  3.000
 13Y  N32  C30  O31  120.64  3.000
 13Y  N32  C30  C29  114.09  3.000
 13Y  O31  C30  C29  125.27  3.000
 13Y  H29  N32  C34  114.94  3.000
 13Y  H29  N32  C30  116.70  3.000
 13Y  C34  N32  C30  128.35  3.000
 13Y  O35  C34  N32  121.36  3.000
 13Y  O35  C34  N27  124.05  3.000
 13Y  N32  C34  N27  114.59  3.000
 13Y  H32  C36  H31  107.85  3.000
 13Y  H32  C36  H30  107.83  3.000
 13Y  H31  C36  H30  107.17  3.000
 13Y  H32  C36  C29  110.87  3.000
 13Y  H31  C36  C29  111.44  3.000
 13Y  H30  C36  C29  111.48  3.000
 13Y  O39  C37  O38  127.25  3.000
 13Y  O38  C37  C10  115.70  3.000
 13Y  O39  C37  C10  117.03  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
 13Y  CONST_01  C5   C4   C3   C2     0.00   0.0  0
 13Y  CONST_02  C5   C6   C7   C2     0.00   0.0  0
 13Y  CONST_03  C7   C2   C3   C4     0.00   0.0  0
 13Y  CONST_04  C7   C6   C5   C4     0.00   0.0  0
 13Y  CONST_05  C3   C2   C7   C6     0.00   0.0  0
 13Y  CONST_06  C3   C4   C5   C6     0.00   0.0  0
 13Y  CONST_07  C12  C13  C14  C9     0.00   0.0  0
 13Y  CONST_08  C12  C11  C10  C9     0.00   0.0  0
 13Y  CONST_09  C13  C14  C9   C10    0.00   0.0  0
 13Y  CONST_10  C13  C12  C11  C10    0.00   0.0  0
 13Y  CONST_11  C14  C9   C10  C11    0.00   0.0  0
 13Y  CONST_12  C14  C13  C12  C11    0.00   0.0  0
 13Y  CONST_13  N32  C34  N27  C25  180.00   0.0  0
 13Y  CONST_14  C30  N32  C34  N27    0.00   0.0  0
 13Y  CONST_15  N32  C34  N27  C28    0.00   0.0  0
 13Y  CONST_16  C34  N32  C30  C29    0.00   0.0  0
 13Y  CONST_17  O8   C6   C7   C2   180.00   0.0  0
 13Y  CONST_18  CL1  C2   C3   C4   180.00   0.0  0
 13Y  CONST_19  O8   C6   C5   C4   180.00   0.0  0
 13Y  CONST_20  CL1  C2   C7   C6   180.00   0.0  0
 13Y  CONST_21  C13  C14  C9   O8   180.00   0.0  0
 13Y  CONST_22  C11  C10  C9   O8   180.00   0.0  0
 13Y  CONST_23  C15  C13  C14  C9   180.00   0.0  0
 13Y  CONST_24  C15  C13  C12  C11  180.00   0.0  0
 13Y  CONST_25  C37  C10  C11  C12  180.00   0.0  0
 13Y  CONST_26  C37  C10  C9   C14  180.00   0.0  0
 13Y  CONST_27  O35  C34  N27  C25    0.00   0.0  0
 13Y  CONST_28  O35  C34  N27  C28  180.00   0.0  0
 13Y  CONST_29  O35  C34  N32  C30  180.00   0.0  0
 13Y  CONST_30  C34  N32  C30  O31  180.00   0.0  0
 13Y  CONST_31  H1   C4   C3   C2   180.00   0.0  0
 13Y  CONST_32  H3   C3   C4   C5   180.00   0.0  0
 13Y  CONST_33  H4   C7   C6   C5   180.00   0.0  0
 13Y  CONST_34  H2   C5   C4   C3   180.00   0.0  0
 13Y  CONST_35  H5   C11  C10  C9   180.00   0.0  0
 13Y  CONST_36  H7   C14  C9   C10  180.00   0.0  0
 13Y  CONST_37  H6   C12  C11  C10  180.00   0.0  0
 13Y  CONST_38  H29  N32  C34  N27  180.00   0.0  0
 13Y  Var_01    C24  C23  C22  N20   56.49  30.0  1
 13Y  Var_02    C25  C26  N20  C22   62.25  30.0  1
 13Y  Var_03    C25  C24  C23  C22  -52.27  30.0  1
 13Y  Var_04    C26  N20  C22  C23  -60.60  30.0  1
 13Y  Var_05    C14  C9   O8   C6   -87.38  30.0  2
 13Y  Var_06    O39  C37  C10  C9   -27.84  30.0  2
 13Y  Var_07    H30  C36  C29  C28  120.84  30.0  3
 13Y  Var_08    C19  C17  C16  C15  -64.02  30.0  3
 13Y  Var_09    H15  C19  C17  C16   58.43  30.0  3
 13Y  Var_10    H12  C18  C17  C16   59.56  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
 13Y  chir_01  C15  C16  N20  C13  negativ
 13Y  chir_02  C25  N27  C24  C26  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
 13Y  plan-1  C2   0.020
 13Y  plan-1  C4   0.020
 13Y  plan-1  C5   0.020
 13Y  plan-1  C6   0.020
 13Y  plan-1  CL1  0.020
 13Y  plan-1  C3   0.020
 13Y  plan-1  C7   0.020
 13Y  plan-1  O8   0.020
 13Y  plan-1  H1   0.020
 13Y  plan-1  H2   0.020
 13Y  plan-1  H3   0.020
 13Y  plan-1  H4   0.020
 13Y  plan-2  O8   0.020
 13Y  plan-2  C9   0.020
 13Y  plan-2  C10  0.020
 13Y  plan-2  C11  0.020
 13Y  plan-2  C12  0.020
 13Y  plan-2  C13  0.020
 13Y  plan-2  C14  0.020
 13Y  plan-2  C15  0.020
 13Y  plan-2  C37  0.020
 13Y  plan-2  H5   0.020
 13Y  plan-2  H6   0.020
 13Y  plan-2  H7   0.020
 13Y  plan-3  C25  0.020
 13Y  plan-3  N27  0.020
 13Y  plan-3  C28  0.020
 13Y  plan-3  C29  0.020
 13Y  plan-3  C30  0.020
 13Y  plan-3  O31  0.020
 13Y  plan-3  N32  0.020
 13Y  plan-3  C34  0.020
 13Y  plan-3  O35  0.020
 13Y  plan-3  C36  0.020
 13Y  plan-3  H28  0.020
 13Y  plan-3  H29  0.020
 13Y  plan-4  C10  0.020
 13Y  plan-4  C37  0.020
 13Y  plan-4  O38  0.020
 13Y  plan-4  O39  0.020

