# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Wed May 13 10:19:07 2020
#   Inital geometry file: a 168 line input string
#   Ligand name: 6-(2,4-dichlorophenyl)-5-[4-[(3~{S})-1-(3-fluoranylpropyl)pyrrolidin-3-yl]oxyphenyl]-8,9-dihydro-7~{H}-benzo[7]annulene-2-carboxylic acid
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: OC(=O)c1ccc2c(CCCC(=C2c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c5ccc(Cl)cc5Cl)c1
#
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
 L5B  L5B  '6-(2,4-dichlorophenyl)-5-[4-[(3~{S})-1-(3-fluoranylpropyl)pyrrolidin-3-yl]oxyphenyl]-8,9-dihydro-7~{H}-benzo[7]annulene-2-carboxylic acid'  ligand  67  38  .  2021-08-12  2021-08-12  
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as OK
;

data_comp_L5B
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
 L5B  C4   C   CR16   0  -0.282    2.7500  -2.7567  -0.2799
 L5B  C5   C   CR6    0   0.125    4.3611  -1.5000   1.0022
 L5B  C6   C   CR6    0   0.011    3.1780  -1.5383   0.2475
 L5B  C7   C   C      0   0.093    2.3810  -0.3103   0.0269
 L5B  C8   C   CH2    0  -0.540    4.8107  -0.2130   1.6348
 L5B  C9   C   C      0   0.022    2.9868   0.8291  -0.3557
 L5B  C10  C   CH2    0  -0.404    5.3215   0.8175   0.6238
 L5B  C11  C   CH2    0  -0.516    4.4666   0.8621  -0.6476
 L5B  C14  C   CR6    0   0.012    0.9248  -0.4046   0.2622
 L5B  C15  C   CR6    0   0.116    2.2600   2.1161  -0.4091
 L5B  C1   C   CR16   0  -0.299    3.4909  -3.9126  -0.0997
 L5B  C2   C   CR6    0  -0.091    4.6756  -3.8859   0.6314
 L5B  C3   C   CR16   0  -0.368    5.0864  -2.6733   1.1764
 L5B  O13  O   OC    -1  -0.594    5.0459  -6.1990   0.3373
 L5B  C16  C   CR6    0  -0.118    2.0528   2.8154  -1.5951
 L5B  C17  C   CR16   0  -0.151    1.4054   4.0400  -1.6341
 L5B  C18  C   CR6    0  -0.068    0.9551   4.5847  -0.4432
 L5B  C19  C   CR16   0  -0.183    1.1368   3.9250   0.7619
 L5B  C20  C   CR16   0  -0.310    1.7858   2.7023   0.7632
 L5B  CL1  CL  CL     0  -0.119    0.1475   6.1151  -0.4703
 L5B  CL2  CL  CL     0  -0.112    2.5570   2.1099  -3.0948
 L5B  C23  C   CR16   0  -0.276   -0.0047   0.0649  -0.6591
 L5B  C24  C   CR16   0  -0.358   -1.3709  -0.0004  -0.4190
 L5B  C25  C   CR6    0   0.370   -1.8380  -0.5445   0.7752
 L5B  C26  C   CR16   0  -0.338   -0.9170  -1.0456   1.6987
 L5B  C27  C   CR16   0  -0.277    0.4373  -0.9820   1.4375
 L5B  O28  O   O2     0  -0.485   -3.1348  -0.6347   1.1262
 L5B  C29  C   CH1    0  -0.011   -4.1292  -0.0895   0.2728
 L5B  C30  C   CH2    0  -0.289   -5.4425  -0.0616   1.0558
 L5B  N31  N   NT     0  -0.433   -6.4498  -0.3666   0.0611
 L5B  C32  C   CH2    0  -0.280   -5.8688  -1.4423  -0.7240
 L5B  C33  C   CH2    0  -0.494   -4.4432  -0.9541  -0.9652
 L5B  C34  C   CH2    0  -0.273   -7.7440  -0.6495   0.6374
 L5B  C35  C   CH2    0  -0.515   -8.8479  -0.7219  -0.4095
 L5B  C36  C   CH2    0   0.004  -10.1945  -0.9109   0.2477
 L5B  F37  F   F      0  -0.384  -11.1954  -0.9856  -0.7225
 L5B  O38  O   O      0  -0.593    6.5514  -5.0324   1.4940
 L5B  H1   H   HCR6   0   0.238    1.8271  -2.7937  -0.8471
 L5B  H2   H   HCH2   0   0.240    3.9690   0.2229   2.1815
 L5B  H3   H   HCH2   0   0.253    5.5867  -0.4121   2.3762
 L5B  H4   H   HCH2   0   0.231    5.3442   1.7993   1.1037
 L5B  H5   H   HCH2   0   0.235    6.3495   0.5867   0.3340
 L5B  H6   H   HCH2   0   0.247    4.7247   0.0065  -1.2768
 L5B  H7   H   HCH2   0   0.249    4.7261   1.7533  -1.2199
 L5B  H8   H   HCR6   0   0.240    3.1463  -4.8446  -0.5275
 L5B  H9   H   HCR6   0   0.233    5.9962  -2.6476   1.7642
 L5B  H11  H   HCR6   0   0.299    1.2512   4.5518  -2.5739
 L5B  H12  H   HCR6   0   0.284    0.7825   4.3563   1.6878
 L5B  H13  H   HCR6   0   0.265    1.9304   2.1818   1.7009
 L5B  H14  H   HCR6   0   0.245    0.3331   0.4750  -1.6022
 L5B  H15  H   HCR6   0   0.274   -2.0460   0.3697  -1.1788
 L5B  H16  H   HCR6   0   0.260   -1.2741  -1.4795   2.6244
 L5B  H17  H   HCR6   0   0.248    1.1307  -1.3769   2.1704
 L5B  H18  H   HCH1   0   0.253   -3.8360   0.9227  -0.0210
 L5B  H19  H   HCH2   0   0.207   -5.4010  -0.8252   1.8522
 L5B  H20  H   HCH2   0   0.248   -5.6356   0.9025   1.5304
 L5B  H22  H   HCH2   0   0.199   -5.8628  -2.3938  -0.1655
 L5B  H23  H   HCH2   0   0.242   -6.4181  -1.6106  -1.6510
 L5B  H24  H   HCH2   0   0.249   -4.3964  -0.3467  -1.8699
 L5B  H25  H   HCH2   0   0.256   -3.7373  -1.7760  -1.0850
 L5B  H26  H   HCH2   0   0.196   -7.7250  -1.5834   1.2267
 L5B  H27  H   HCH2   0   0.235   -7.9764   0.1534   1.3432
 L5B  H28  H   HCH2   0   0.236   -8.8468   0.2014  -0.9944
 L5B  H29  H   HCH2   0   0.240   -8.6693  -1.5499  -1.1002
 L5B  H30  H   HCH2   0   0.203  -10.2255  -1.8340   0.8309
 L5B  H31  H   HCH2   0   0.203  -10.4321  -0.0754   0.9096
 L5B  C12  C   C      0   0.396    5.4975  -5.1518   0.8394

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
 L5B  C11  C10  single    1.533  0.020  1.533
 L5B  C11  C9   single    1.509  0.020  1.509
 L5B  C10  C8   single    1.531  0.020  1.531
 L5B  C19  C20  aromatic  1.384  0.020  1.384
 L5B  C19  C18  aromatic  1.386  0.020  1.386
 L5B  C20  C15  aromatic  1.394  0.020  1.394
 L5B  CL1  C18  single    1.731  0.020  1.731
 L5B  C18  C17  aromatic  1.385  0.020  1.385
 L5B  C9   C15  single    1.479  0.020  1.479
 L5B  C9   C7   double    1.346  0.020  1.346
 L5B  C15  C16  aromatic  1.392  0.020  1.392
 L5B  C8   C5   single    1.503  0.020  1.503
 L5B  C5   C3   aromatic  1.390  0.020  1.390
 L5B  C5   C6   aromatic  1.404  0.020  1.404
 L5B  C3   C2   aromatic  1.392  0.020  1.392
 L5B  O38  C12  deloc     1.246  0.020  1.246
 L5B  C17  C16  aromatic  1.386  0.020  1.386
 L5B  C16  CL2  single    1.732  0.020  1.732
 L5B  C2   C12  single    1.524  0.020  1.524
 L5B  C2   C1   aromatic  1.392  0.020  1.392
 L5B  C6   C7   single    1.481  0.020  1.481
 L5B  C6   C4   aromatic  1.395  0.020  1.395
 L5B  C7   C14  single    1.478  0.020  1.478
 L5B  C12  O13  deloc     1.246  0.020  1.246
 L5B  C1   C4   aromatic  1.385  0.020  1.385
 L5B  C27  C14  aromatic  1.397  0.020  1.397
 L5B  C27  C26  aromatic  1.381  0.020  1.381
 L5B  C14  C23  aromatic  1.390  0.020  1.390
 L5B  C26  C25  aromatic  1.397  0.020  1.397
 L5B  C23  C24  aromatic  1.389  0.020  1.389
 L5B  C25  C24  aromatic  1.393  0.020  1.393
 L5B  C25  O28  single    1.346  0.020  1.346
 L5B  O28  C29  single    1.419  0.020  1.419
 L5B  C29  C33  single    1.542  0.020  1.542
 L5B  C29  C30  single    1.529  0.020  1.529
 L5B  C33  C32  single    1.526  0.020  1.526
 L5B  C30  N31  single    1.448  0.020  1.448
 L5B  C32  N31  single    1.453  0.020  1.453
 L5B  N31  C34  single    1.445  0.020  1.445
 L5B  C34  C35  single    1.523  0.020  1.523
 L5B  C35  C36  single    1.510  0.020  1.510
 L5B  C36  F37  single    1.396  0.020  1.396
 L5B  C4   H1   single    0.930  0.020  1.080
 L5B  C8   H2   single    0.970  0.020  1.090
 L5B  C8   H3   single    0.970  0.020  1.090
 L5B  C10  H4   single    0.970  0.020  1.090
 L5B  C10  H5   single    0.970  0.020  1.090
 L5B  C11  H6   single    0.970  0.020  1.090
 L5B  C11  H7   single    0.970  0.020  1.090
 L5B  C1   H8   single    0.930  0.020  1.080
 L5B  C3   H9   single    0.930  0.020  1.080
 L5B  C17  H11  single    0.930  0.020  1.080
 L5B  C19  H12  single    0.930  0.020  1.080
 L5B  C20  H13  single    0.930  0.020  1.080
 L5B  C23  H14  single    0.930  0.020  1.080
 L5B  C24  H15  single    0.930  0.020  1.080
 L5B  C26  H16  single    0.930  0.020  1.080
 L5B  C27  H17  single    0.930  0.020  1.080
 L5B  C29  H18  single    0.970  0.020  1.090
 L5B  C30  H19  single    0.970  0.020  1.090
 L5B  C30  H20  single    0.970  0.020  1.090
 L5B  C32  H22  single    0.970  0.020  1.090
 L5B  C32  H23  single    0.970  0.020  1.090
 L5B  C33  H24  single    0.970  0.020  1.090
 L5B  C33  H25  single    0.970  0.020  1.090
 L5B  C34  H26  single    0.970  0.020  1.090
 L5B  C34  H27  single    0.970  0.020  1.090
 L5B  C35  H28  single    0.970  0.020  1.090
 L5B  C35  H29  single    0.970  0.020  1.090
 L5B  C36  H30  single    0.970  0.020  1.090
 L5B  C36  H31  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
 L5B  H1   C4   C1   119.68  3.000
 L5B  H1   C4   C6   119.27  3.000
 L5B  C1   C4   C6   121.05  3.000
 L5B  C3   C5   C8   120.92  3.000
 L5B  C3   C5   C6   118.95  3.000
 L5B  C8   C5   C6   120.12  3.000
 L5B  C7   C6   C5   120.74  3.000
 L5B  C7   C6   C4   120.20  3.000
 L5B  C5   C6   C4   119.05  3.000
 L5B  C14  C7   C9   122.87  3.000
 L5B  C14  C7   C6   116.98  3.000
 L5B  C9   C7   C6   120.15  3.000
 L5B  H3   C8   H2   106.27  3.000
 L5B  H3   C8   C10  109.52  3.000
 L5B  H2   C8   C10  108.57  3.000
 L5B  H3   C8   C5   110.02  3.000
 L5B  H2   C8   C5   108.74  3.000
 L5B  C10  C8   C5   113.46  3.000
 L5B  C15  C9   C11  117.13  3.000
 L5B  C15  C9   C7   121.72  3.000
 L5B  C11  C9   C7   121.00  3.000
 L5B  H5   C10  H4   106.65  3.000
 L5B  H5   C10  C11  108.11  3.000
 L5B  H4   C10  C11  110.47  3.000
 L5B  H5   C10  C8   110.29  3.000
 L5B  H4   C10  C8   108.75  3.000
 L5B  C11  C10  C8   112.41  3.000
 L5B  H7   C11  H6   106.35  3.000
 L5B  H7   C11  C10  109.05  3.000
 L5B  H6   C11  C10  108.85  3.000
 L5B  H7   C11  C9   110.66  3.000
 L5B  H6   C11  C9   109.02  3.000
 L5B  C10  C11  C9   112.70  3.000
 L5B  C27  C14  C23  117.63  3.000
 L5B  C23  C14  C7   122.11  3.000
 L5B  C27  C14  C7   120.26  3.000
 L5B  C20  C15  C16  117.04  3.000
 L5B  C16  C15  C9   122.75  3.000
 L5B  C20  C15  C9   120.18  3.000
 L5B  H8   C1   C2   119.68  3.000
 L5B  H8   C1   C4   119.82  3.000
 L5B  C2   C1   C4   120.50  3.000
 L5B  C3   C2   C1   118.26  3.000
 L5B  C1   C2   C12  120.98  3.000
 L5B  C3   C2   C12  120.75  3.000
 L5B  H9   C3   C2   118.75  3.000
 L5B  H9   C3   C5   119.08  3.000
 L5B  C2   C3   C5   122.16  3.000
 L5B  CL2  C16  C17  118.13  3.000
 L5B  CL2  C16  C15  119.31  3.000
 L5B  C17  C16  C15  122.50  3.000
 L5B  H11  C17  C18  121.00  3.000
 L5B  H11  C17  C16  120.62  3.000
 L5B  C18  C17  C16  118.38  3.000
 L5B  CL1  C18  C19  119.72  3.000
 L5B  CL1  C18  C17  119.08  3.000
 L5B  C19  C18  C17  121.20  3.000
 L5B  H12  C19  C20  120.34  3.000
 L5B  H12  C19  C18  120.79  3.000
 L5B  C20  C19  C18  118.86  3.000
 L5B  H13  C20  C19  119.23  3.000
 L5B  H13  C20  C15  118.75  3.000
 L5B  C19  C20  C15  122.02  3.000
 L5B  H14  C23  C24  118.38  3.000
 L5B  H14  C23  C14  119.78  3.000
 L5B  C24  C23  C14  121.82  3.000
 L5B  H15  C24  C25  121.77  3.000
 L5B  H15  C24  C23  118.46  3.000
 L5B  C25  C24  C23  119.77  3.000
 L5B  O28  C25  C26  116.01  3.000
 L5B  O28  C25  C24  124.93  3.000
 L5B  C26  C25  C24  119.06  3.000
 L5B  H16  C26  C27  120.24  3.000
 L5B  H16  C26  C25  119.43  3.000
 L5B  C27  C26  C25  120.34  3.000
 L5B  H17  C27  C26  118.89  3.000
 L5B  H17  C27  C14  119.75  3.000
 L5B  C26  C27  C14  121.35  3.000
 L5B  C29  O28  C25  119.49  3.000
 L5B  H18  C29  C33  110.96  3.000
 L5B  H18  C29  C30  110.54  3.000
 L5B  C33  C29  C30  104.27  3.000
 L5B  H18  C29  O28  109.21  3.000
 L5B  C30  C29  O28  107.50  3.000
 L5B  C33  C29  O28  114.20  3.000
 L5B  H20  C30  H19  107.69  3.000
 L5B  H20  C30  N31  111.19  3.000
 L5B  H19  C30  N31  112.08  3.000
 L5B  H20  C30  C29  112.99  3.000
 L5B  H19  C30  C29  108.93  3.000
 L5B  N31  C30  C29  103.99  3.000
 L5B  C34  N31  C32  115.39  3.000
 L5B  C34  N31  C30  112.98  3.000
 L5B  C32  N31  C30  104.41  3.000
 L5B  H23  C32  H22  107.45  3.000
 L5B  H23  C32  C33  112.68  3.000
 L5B  H22  C32  C33  110.54  3.000
 L5B  H23  C32  N31  111.85  3.000
 L5B  H22  C32  N31  111.54  3.000
 L5B  C33  C32  N31  102.83  3.000
 L5B  H25  C33  H24  107.52  3.000
 L5B  H25  C33  C32  112.41  3.000
 L5B  H24  C33  C32  110.44  3.000
 L5B  H25  C33  C29  112.28  3.000
 L5B  H24  C33  C29  110.17  3.000
 L5B  C32  C33  C29  104.04  3.000
 L5B  H27  C34  H26  106.26  3.000
 L5B  H27  C34  C35  108.93  3.000
 L5B  H26  C34  C35  109.82  3.000
 L5B  H27  C34  N31  107.69  3.000
 L5B  H26  C34  N31  111.28  3.000
 L5B  C35  C34  N31  112.61  3.000
 L5B  H29  C35  H28  107.55  3.000
 L5B  H29  C35  C36  109.01  3.000
 L5B  H28  C35  C36  109.85  3.000
 L5B  H29  C35  C34  110.61  3.000
 L5B  H28  C35  C34  109.09  3.000
 L5B  C36  C35  C34  110.68  3.000
 L5B  H31  C36  H30  108.47  3.000
 L5B  H31  C36  F37  107.83  3.000
 L5B  H30  C36  F37  107.79  3.000
 L5B  H31  C36  C35  111.22  3.000
 L5B  H30  C36  C35  111.31  3.000
 L5B  F37  C36  C35  110.09  3.000
 L5B  O38  C12  O13  126.77  3.000
 L5B  O13  C12  C2   116.60  3.000
 L5B  O38  C12  C2   116.64  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
 L5B  CONST_01  C3   C2   C1   C4      0.00   0.0  0
 L5B  CONST_02  C1   C2   C3   C5      0.00   0.0  0
 L5B  CONST_03  C2   C1   C4   C6      0.00   0.0  0
 L5B  CONST_04  C25  C26  C27  C14     0.00   0.0  0
 L5B  CONST_05  C25  C24  C23  C14     0.00   0.0  0
 L5B  CONST_06  C18  C19  C20  C15     0.00   0.0  0
 L5B  CONST_07  C18  C17  C16  C15     0.00   0.0  0
 L5B  CONST_08  C19  C20  C15  C16     0.00   0.0  0
 L5B  CONST_09  C19  C18  C17  C16     0.00   0.0  0
 L5B  CONST_10  C20  C19  C18  C17     0.00   0.0  0
 L5B  CONST_11  C20  C15  C16  C17     0.00   0.0  0
 L5B  CONST_12  C26  C27  C14  C23     0.00   0.0  0
 L5B  CONST_13  C26  C25  C24  C23     0.00   0.0  0
 L5B  CONST_14  C27  C14  C23  C24     0.00   0.0  0
 L5B  CONST_15  C27  C26  C25  C24     0.00   0.0  0
 L5B  CONST_16  C26  C27  C14  C7    180.00   0.0  0
 L5B  CONST_17  C24  C23  C14  C7    180.00   0.0  0
 L5B  CONST_18  C19  C20  C15  C9    180.00   0.0  0
 L5B  CONST_19  C17  C16  C15  C9    180.00   0.0  0
 L5B  CONST_20  C12  C2   C1   C4    180.00   0.0  0
 L5B  CONST_21  C12  C2   C3   C5    180.00   0.0  0
 L5B  CONST_22  CL2  C16  C15  C9      0.00   0.0  0
 L5B  CONST_23  CL1  C18  C17  C16   180.00   0.0  0
 L5B  CONST_24  CL2  C16  C17  C18   180.00   0.0  0
 L5B  CONST_25  CL1  C18  C19  C20   180.00   0.0  0
 L5B  CONST_26  CL2  C16  C15  C20   180.00   0.0  0
 L5B  CONST_27  O28  C25  C24  C23   180.00   0.0  0
 L5B  CONST_28  O28  C25  C26  C27   180.00   0.0  0
 L5B  CONST_29  H8   C1   C4   C6    180.00   0.0  0
 L5B  CONST_30  H17  C27  C14  C7      0.00   0.0  0
 L5B  CONST_31  H14  C23  C14  C7      0.00   0.0  0
 L5B  CONST_32  H13  C20  C15  C9      0.00   0.0  0
 L5B  CONST_33  H16  C26  C27  C14   180.00   0.0  0
 L5B  CONST_34  H15  C24  C23  C14   180.00   0.0  0
 L5B  CONST_35  H12  C19  C20  C15   180.00   0.0  0
 L5B  CONST_36  H11  C17  C16  C15   180.00   0.0  0
 L5B  CONST_37  H9   C3   C2   C1    180.00   0.0  0
 L5B  CONST_38  H1   C4   C1   C2    180.00   0.0  0
 L5B  Var_01    N31  C32  C33  C29    29.74  30.0  1
 L5B  Var_02    C32  N31  C30  C29    42.42  30.0  1
 L5B  Var_03    C33  C32  N31  C30   -45.33  30.0  1
 L5B  Var_04    O38  C12  C2   C1    179.22  30.0  2
 L5B  Var_05    C35  C34  N31  C30   169.70  30.0  3
 L5B  Var_06    C36  C35  C34  N31  -175.56  30.0  3
 L5B  Var_07    F37  C36  C35  C34  -179.56  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
 L5B  chir_01  C29  O28  C33  C30  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
 L5B  plan-1  C9   0.020
 L5B  plan-1  C15  0.020
 L5B  plan-1  C16  0.020
 L5B  plan-1  C17  0.020
 L5B  plan-1  C18  0.020
 L5B  plan-1  C19  0.020
 L5B  plan-1  C20  0.020
 L5B  plan-1  CL1  0.020
 L5B  plan-1  CL2  0.020
 L5B  plan-1  H11  0.020
 L5B  plan-1  H12  0.020
 L5B  plan-1  H13  0.020
 L5B  plan-2  C4   0.020
 L5B  plan-2  C5   0.020
 L5B  plan-2  C6   0.020
 L5B  plan-2  C7   0.020
 L5B  plan-2  C8   0.020
 L5B  plan-2  C1   0.020
 L5B  plan-2  C2   0.020
 L5B  plan-2  C3   0.020
 L5B  plan-2  H1   0.020
 L5B  plan-2  H8   0.020
 L5B  plan-2  H9   0.020
 L5B  plan-2  C12  0.020
 L5B  plan-3  C7   0.020
 L5B  plan-3  C14  0.020
 L5B  plan-3  C23  0.020
 L5B  plan-3  C24  0.020
 L5B  plan-3  C25  0.020
 L5B  plan-3  C26  0.020
 L5B  plan-3  C27  0.020
 L5B  plan-3  O28  0.020
 L5B  plan-3  H14  0.020
 L5B  plan-3  H15  0.020
 L5B  plan-3  H16  0.020
 L5B  plan-3  H17  0.020
 L5B  plan-4  C2   0.020
 L5B  plan-4  O13  0.020
 L5B  plan-4  O38  0.020
 L5B  plan-4  C12  0.020

