# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version 1.18.1-3865-
#   - file written: Sat Jun 13 03:10:14 2020
#   Inital geometry file: a 159 line input string
#   Ligand name: (S)-{4-chloro-2-methoxy-3-[4-(methylsulfonyl)phenyl]quinolin-6-yl}(1-methyl-1H-imidazol-5-yl)[6-(trifluoromethyl)pyridin-3-yl]methanol
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: COc1nc2ccc(cc2c(Cl)c1c3ccc(cc3)[S](C)(=O)=O)[C@](O)(c4ccc(nc4)C(F)(F)F)c5cncn5C
#
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
 87J  87J  (S)-{4-chloro-2-methoxy-3-[4-(methylsulfonyl)phenyl]quinolin-6-yl}(1-methyl-1H-imidazol-5-yl)[6-(trifluoromethyl)pyridin-3-yl]methanol  ligand  63  41  .  2022-07-23  2022-07-26
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as OK (reasonable std)
;

data_comp_87J
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
 87J  C07   C   CR16  0  -0.258   -5.0966  -1.1256  -0.3664
 87J  C15   C   CR16  0  -0.260   -4.8819   1.0497   0.6400
 87J  C21   C   CR16  0  -0.286    2.0783  -0.7940   1.0426
 87J  C39   C   CR16  0  -0.175    4.8948  -0.7712  -1.3299
 87J  C20   C   CR16  0  -0.277    1.0095  -1.3857   1.6642
 87J  C08   C   CR16  0  -0.222   -6.4318  -0.8754  -0.6381
 87J  C14   C   CR16  0  -0.216   -6.2155   1.3118   0.3740
 87J  C38   C   CR16  0  -0.294    6.0969  -1.4051  -1.0453
 87J  C41   C   CR16  0  -0.337    0.6054   0.4647  -0.3690
 87J  C31   C   CR16  0  -0.073    5.1127   0.3967   0.7248
 87J  C29   C   CR15  0  -0.230    2.4524   2.8791   0.8554
 87J  C27   C   CR15  0   0.085    3.7827   4.3333   0.0752
 87J  C18   C   CR66  0   0.178   -0.5055  -0.1259   0.2550
 87J  C06   C   CR6   0   0.077   -4.3157  -0.1680   0.2733
 87J  C05   C   CR6   0  -0.045   -2.8940  -0.4422   0.5701
 87J  C22   C   CR6   0   0.049    1.8887   0.1468   0.0145
 87J  C30   C   CR6   0  -0.043    4.3747   0.1479  -0.4338
 87J  C19   C   CR66  0   0.183   -0.3080  -1.0680   1.2906
 87J  C09   C   CR6   0  -0.208   -6.9794   0.3413  -0.2588
 87J  C16   C   CR6   0  -0.028   -1.8598   0.1605  -0.0801
 87J  C33   C   CR6   0  -0.018    6.7321  -1.0811   0.1376
 87J  C24   C   CR5   0   0.297    3.1154   2.2688  -0.1751
 87J  C03   C   CR6   0   0.487   -2.5446  -1.3778   1.5982
 87J  C01   C   CH3   0  -0.420   -3.3052  -2.8723   3.2542
 87J  C11   C   CH3   0  -0.790   -9.4959   0.2137   0.9431
 87J  C23   C   CT    0   0.118    3.0456   0.8596  -0.6904
 87J  C34   C   CT    0   1.051    8.0367  -1.7040   0.5514
 87J  N28   N   N     0  -0.447    2.8762   4.1651   1.0029
 87J  N32   N   N     0  -0.411    6.2565  -0.2006   1.0056
 87J  N04   N   N     0  -0.497   -1.3325  -1.6740   1.9374
 87J  N25   N   NR5   0  -0.440    3.9762   3.2216  -0.6637
 87J  O12   O   OS    0  -0.668   -8.8604   2.1041  -0.7758
 87J  O13   O   OS    0  -0.667   -9.1485  -0.2459  -1.6268
 87J  O40   O   OH1   0  -0.650    2.7937   0.9491  -2.0741
 87J  O02   O   O2    0  -0.454   -3.5750  -1.9394   2.2131
 87J  F35   F   F     0  -0.310    8.9887  -0.7781   0.7059
 87J  F36   F   F     0  -0.310    7.9179  -2.3411   1.7209
 87J  F37   F   F     0  -0.299    8.4818  -2.5900  -0.3423
 87J  S10   S   S     0   1.215   -8.6955   0.6655  -0.5786
 87J  CL17  CL  CL    0  -0.087   -2.1930   1.2819  -1.3422
 87J  H071  H   HCR6  0   0.273   -4.6612  -2.0700  -0.6652
 87J  H151  H   HCR6  0   0.275   -4.2811   1.7986   1.1388
 87J  H211  H   HCR6  0   0.268    3.0732  -1.0718   1.3598
 87J  H391  H   HCR6  0   0.272    4.3910  -1.0094  -2.2566
 87J  H201  H   HCR6  0   0.271    1.1619  -2.1092   2.4540
 87J  H081  H   HCR6  0   0.288   -7.0274  -1.6250  -1.1411
 87J  H141  H   HCR6  0   0.289   -6.6437   2.2624   0.6622
 87J  H381  H   HCR6  0   0.290    6.5092  -2.1219  -1.7404
 87J  H411  H   HCR6  0   0.270    0.4455   1.1933  -1.1522
 87J  H311  H   HCR6  0   0.283    4.7556   1.1108   1.4594
 87J  H291  H   HCR5  0   0.258    1.7015   2.4482   1.4997
 87J  H271  H   HCR5  0   0.282    4.3329   5.2429  -0.1162
 87J  H263  H   HCH3  0   0.258    5.5231   2.2509  -1.6994
 87J  H262  H   HCH3  0   0.264    4.3462   3.0832  -2.7274
 87J  H261  H   HCH3  0   0.266    5.5215   4.0100  -1.7855
 87J  H011  H   HCH3  0   0.253   -4.2763  -3.1969   3.6168
 87J  H012  H   HCH3  0   0.237   -2.7465  -3.7327   2.8856
 87J  H013  H   HCH3  0   0.237   -2.7466  -2.4115   4.0687
 87J  H401  H   HOH1  0   0.464    2.4465   0.1084  -2.3953
 87J  H3    H   HCH3  0   0.296   -9.1031   0.8223   1.7544
 87J  H4    H   HCH3  0   0.312  -10.5620   0.4011   0.8181
 87J  H5    H   HCH3  0   0.297   -9.3221  -0.8411   1.1417
 87J  C26   C   CH3   0  -0.521    4.8870   3.1282  -1.7859

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
 87J  C07  C08   aromatic  1.385  0.020  1.385
 87J  C07  C06   aromatic  1.391  0.020  1.391
 87J  C15  C14   aromatic  1.385  0.020  1.385
 87J  C15  C06   aromatic  1.392  0.020  1.392
 87J  C21  C20   aromatic  1.371  0.020  1.371
 87J  C21  C22   aromatic  1.406  0.020  1.406
 87J  C39  C38   aromatic  1.388  0.020  1.388
 87J  C39  C30   aromatic  1.385  0.020  1.385
 87J  C20  C19   aromatic  1.406  0.020  1.406
 87J  C08  C09   aromatic  1.387  0.020  1.387
 87J  C14  C09   aromatic  1.388  0.020  1.388
 87J  C38  C33   aromatic  1.381  0.020  1.381
 87J  C41  C18   aromatic  1.404  0.020  1.404
 87J  C41  C22   aromatic  1.377  0.020  1.377
 87J  C31  C30   aromatic  1.396  0.020  1.396
 87J  C31  N32   aromatic  1.321  0.020  1.321
 87J  C29  C24   aromatic  1.369  0.020  1.369
 87J  C29  N28   aromatic  1.362  0.020  1.362
 87J  C27  N28   aromatic  1.308  0.020  1.308
 87J  C27  N25   aromatic  1.349  0.020  1.349
 87J  C18  C19   aromatic  1.414  0.020  1.414
 87J  C18  C16   aromatic  1.424  0.020  1.424
 87J  C06  C05   single    1.478  0.020  1.478
 87J  C05  C16   aromatic  1.362  0.020  1.362
 87J  C05  C03   aromatic  1.433  0.020  1.433
 87J  C22  C23   single    1.531  0.020  1.531
 87J  C30  C23   single    1.529  0.020  1.529
 87J  C19  N04   aromatic  1.355  0.020  1.355
 87J  C09  S10   single    1.775  0.020  1.775
 87J  C16  CL17  single    1.721  0.020  1.721
 87J  C33  C34   single    1.504  0.020  1.504
 87J  C33  N32   aromatic  1.325  0.020  1.325
 87J  C24  C23   single    1.502  0.020  1.502
 87J  C24  N25   aromatic  1.374  0.020  1.374
 87J  C03  N04   aromatic  1.293  0.020  1.293
 87J  C03  O02   single    1.325  0.020  1.325
 87J  C26  N25   single    1.448  0.020  1.448
 87J  C01  O02   single    1.424  0.020  1.424
 87J  C11  S10   single    1.778  0.020  1.778
 87J  C23  O40   single    1.409  0.020  1.409
 87J  C34  F35   single    1.337  0.020  1.337
 87J  C34  F36   single    1.337  0.020  1.337
 87J  C34  F37   single    1.335  0.020  1.335
 87J  O12  S10   double    1.461  0.020  1.461
 87J  O13  S10   double    1.461  0.020  1.461
 87J  C07  H071  single    0.930  0.020  1.080
 87J  C15  H151  single    0.930  0.020  1.080
 87J  C21  H211  single    0.930  0.020  1.080
 87J  C39  H391  single    0.930  0.020  1.080
 87J  C20  H201  single    0.930  0.020  1.080
 87J  C08  H081  single    0.930  0.020  1.080
 87J  C14  H141  single    0.930  0.020  1.080
 87J  C38  H381  single    0.930  0.020  1.080
 87J  C41  H411  single    0.930  0.020  1.080
 87J  C31  H311  single    0.930  0.020  1.080
 87J  C29  H291  single    0.930  0.020  1.080
 87J  C27  H271  single    0.930  0.020  1.080
 87J  C26  H263  single    0.970  0.020  1.090
 87J  C26  H262  single    0.970  0.020  1.090
 87J  C26  H261  single    0.970  0.020  1.090
 87J  C01  H011  single    0.970  0.020  1.090
 87J  C01  H012  single    0.970  0.020  1.090
 87J  C01  H013  single    0.970  0.020  1.090
 87J  O40  H401  single    0.850  0.020  0.980
 87J  C11  H3    single    0.970  0.020  1.090
 87J  C11  H4    single    0.970  0.020  1.090
 87J  C11  H5    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
 87J  H071  C07  C06   120.12  3.000
 87J  H071  C07  C08   119.43  3.000
 87J  C06   C07  C08   120.45  3.000
 87J  H151  C15  C06   120.07  3.000
 87J  H151  C15  C14   119.49  3.000
 87J  C06   C15  C14   120.44  3.000
 87J  H211  C21  C22   120.70  3.000
 87J  H211  C21  C20   118.29  3.000
 87J  C22   C21  C20   121.01  3.000
 87J  H391  C39  C30   121.71  3.000
 87J  H391  C39  C38   118.59  3.000
 87J  C30   C39  C38   119.70  3.000
 87J  H201  C20  C19   118.50  3.000
 87J  H201  C20  C21   120.66  3.000
 87J  C19   C20  C21   120.84  3.000
 87J  H081  C08  C09   121.18  3.000
 87J  H081  C08  C07   119.79  3.000
 87J  C09   C08  C07   119.03  3.000
 87J  H141  C14  C09   121.20  3.000
 87J  H141  C14  C15   119.76  3.000
 87J  C09   C14  C15   119.04  3.000
 87J  H381  C38  C33   122.09  3.000
 87J  H381  C38  C39   120.10  3.000
 87J  C33   C38  C39   117.82  3.000
 87J  H411  C41  C22   119.68  3.000
 87J  H411  C41  C18   119.21  3.000
 87J  C22   C41  C18   121.10  3.000
 87J  H311  C31  N32   116.03  3.000
 87J  H311  C31  C30   120.35  3.000
 87J  N32   C31  C30   123.62  3.000
 87J  H291  C29  N28   121.93  3.000
 87J  H291  C29  C24   127.47  3.000
 87J  N28   C29  C24   110.59  3.000
 87J  H271  C27  N25   121.59  3.000
 87J  H271  C27  N28   125.95  3.000
 87J  N25   C27  N28   112.46  3.000
 87J  C16   C18  C19   116.05  3.000
 87J  C16   C18  C41   124.27  3.000
 87J  C19   C18  C41   119.68  3.000
 87J  C05   C06  C15   120.05  3.000
 87J  C05   C06  C07   120.29  3.000
 87J  C15   C06  C07   119.66  3.000
 87J  C03   C05  C16   116.49  3.000
 87J  C03   C05  C06   119.98  3.000
 87J  C16   C05  C06   123.53  3.000
 87J  C23   C22  C41   117.95  3.000
 87J  C23   C22  C21   123.11  3.000
 87J  C41   C22  C21   118.93  3.000
 87J  C23   C30  C31   121.04  3.000
 87J  C23   C30  C39   121.78  3.000
 87J  C31   C30  C39   117.18  3.000
 87J  N04   C19  C18   122.83  3.000
 87J  N04   C19  C20   118.73  3.000
 87J  C18   C19  C20   118.44  3.000
 87J  S10   C09  C14   119.12  3.000
 87J  S10   C09  C08   119.50  3.000
 87J  C14   C09  C08   121.38  3.000
 87J  CL17  C16  C05   119.43  3.000
 87J  CL17  C16  C18   119.19  3.000
 87J  C05   C16  C18   121.38  3.000
 87J  N32   C33  C34   113.98  3.000
 87J  N32   C33  C38   123.50  3.000
 87J  C34   C33  C38   122.51  3.000
 87J  N25   C24  C23   123.90  3.000
 87J  N25   C24  C29   105.19  3.000
 87J  C23   C24  C29   130.84  3.000
 87J  O02   C03  N04   120.67  3.000
 87J  O02   C03  C05   114.84  3.000
 87J  N04   C03  C05   124.49  3.000
 87J  H013  C01  H012  108.89  3.000
 87J  H013  C01  H011  109.58  3.000
 87J  H012  C01  H011  109.59  3.000
 87J  H013  C01  O02   111.50  3.000
 87J  H012  C01  O02   111.54  3.000
 87J  H011  C01  O02   105.70  3.000
 87J  H5    C11  H4    110.14  3.000
 87J  H5    C11  H3    110.42  3.000
 87J  H4    C11  H3    110.04  3.000
 87J  H5    C11  S10   109.32  3.000
 87J  H4    C11  S10   107.38  3.000
 87J  H3    C11  S10   109.49  3.000
 87J  O40   C23  C24   106.59  3.000
 87J  O40   C23  C30   110.46  3.000
 87J  C24   C23  C30   109.79  3.000
 87J  O40   C23  C22   110.28  3.000
 87J  C24   C23  C22   108.30  3.000
 87J  C30   C23  C22   111.28  3.000
 87J  F37   C34  F36   107.40  3.000
 87J  F37   C34  F35   107.43  3.000
 87J  F36   C34  F35   106.99  3.000
 87J  F37   C34  C33   112.33  3.000
 87J  F36   C34  C33   111.16  3.000
 87J  F35   C34  C33   111.26  3.000
 87J  C27   N28  C29   105.09  3.000
 87J  C33   N32  C31   118.18  3.000
 87J  C03   N04  C19   118.76  3.000
 87J  C26   N25  C24   128.67  3.000
 87J  C26   N25  C27   124.60  3.000
 87J  C24   N25  C27   106.67  3.000
 87J  H401  O40  C23   109.63  3.000
 87J  C01   O02  C03   118.03  3.000
 87J  O13   S10  O12   118.83  3.000
 87J  O13   S10  C11   108.42  3.000
 87J  O12   S10  C11   108.35  3.000
 87J  O13   S10  C09   108.36  3.000
 87J  O12   S10  C09   108.25  3.000
 87J  C11   S10  C09   103.57  3.000
 87J  H261  C26  H262  108.94  3.000
 87J  H261  C26  H263  108.26  3.000
 87J  H262  C26  H263  109.06  3.000
 87J  H261  C26  N25   108.34  3.000
 87J  H262  C26  N25   111.16  3.000
 87J  H263  C26  N25   111.00  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
 87J  CONST_01  C14   C09  C08  C07    0.00   0.0  0
 87J  CONST_02  C14   C15  C06  C07    0.00   0.0  0
 87J  CONST_05  C08   C09  C14  C15    0.00   0.0  0
 87J  CONST_06  C08   C07  C06  C15    0.00   0.0  0
 87J  CONST_09  C18   C19  C20  C21    0.00   0.0  0
 87J  CONST_10  N04   C19  C20  C21  180.00   0.0  0
 87J  CONST_11  C18   C41  C22  C21    0.00   0.0  0
 87J  CONST_12  N32   C33  C38  C39    0.00   0.0  0
 87J  CONST_13  N32   C31  C30  C39    0.00   0.0  0
 87J  CONST_14  C41   C22  C21  C20    0.00   0.0  0
 87J  CONST_15  C41   C18  C19  C20    0.00   0.0  0
 87J  CONST_16  C16   C18  C19  C20  180.00   0.0  0
 87J  CONST_17  C03   N04  C19  C20  180.00   0.0  0
 87J  CONST_18  C05   C06  C07  C08  180.00   0.0  0
 87J  CONST_19  C05   C06  C15  C14  180.00   0.0  0
 87J  CONST_20  C31   C30  C39  C38    0.00   0.0  0
 87J  CONST_21  C31   N32  C33  C38    0.00   0.0  0
 87J  CONST_22  N04   C19  C18  C41  180.00   0.0  0
 87J  CONST_23  C05   C16  C18  C41  180.00   0.0  0
 87J  CONST_24  C27   N25  C24  C29    0.00   0.0  0
 87J  CONST_25  N25   C27  N28  C29    0.00   0.0  0
 87J  CONST_26  C24   C29  N28  C27    0.00   0.0  0
 87J  CONST_27  C03   N04  C19  C18    0.00   0.0  0
 87J  CONST_28  C06   C05  C16  C18  180.00   0.0  0
 87J  CONST_29  C03   C05  C16  C18    0.00   0.0  0
 87J  CONST_30  C09   C08  C07  C06    0.00   0.0  0
 87J  CONST_31  C09   C14  C15  C06    0.00   0.0  0
 87J  CONST_32  N04   C03  C05  C06  180.00   0.0  0
 87J  CONST_33  C19   C18  C16  C05    0.00   0.0  0
 87J  CONST_34  C19   N04  C03  C05    0.00   0.0  0
 87J  CONST_35  C19   C20  C21  C22    0.00   0.0  0
 87J  CONST_36  C19   C18  C41  C22    0.00   0.0  0
 87J  CONST_37  C16   C18  C41  C22  180.00   0.0  0
 87J  CONST_38  C33   C38  C39  C30    0.00   0.0  0
 87J  CONST_39  C33   N32  C31  C30    0.00   0.0  0
 87J  CONST_40  N04   C19  C18  C16    0.00   0.0  0
 87J  CONST_41  N04   C03  C05  C16    0.00   0.0  0
 87J  CONST_42  N28   C27  N25  C24    0.00   0.0  0
 87J  CONST_43  N25   C24  C29  N28    0.00   0.0  0
 87J  CONST_44  S10   C09  C08  C07  180.00   0.0  0
 87J  CONST_45  S10   C09  C14  C15  180.00   0.0  0
 87J  CONST_46  C34   C33  C38  C39  180.00   0.0  0
 87J  CONST_47  C23   C22  C21  C20  180.00   0.0  0
 87J  CONST_48  C23   C30  C39  C38  180.00   0.0  0
 87J  CONST_49  CL17  C16  C18  C41    0.00   0.0  0
 87J  CONST_50  C34   C33  N32  C31  180.00   0.0  0
 87J  CONST_51  C26   N25  C24  C29  180.00   0.0  0
 87J  CONST_52  C23   C24  N25  C27  180.00   0.0  0
 87J  CONST_53  C23   C22  C41  C18  180.00   0.0  0
 87J  CONST_54  CL17  C16  C05  C06    0.00   0.0  0
 87J  CONST_55  O02   C03  C05  C06    0.00   0.0  0
 87J  CONST_56  CL17  C16  C18  C19  180.00   0.0  0
 87J  CONST_57  O02   C03  N04  C19  180.00   0.0  0
 87J  CONST_58  O02   C03  C05  C16  180.00   0.0  0
 87J  CONST_59  CL17  C16  C05  C03  180.00   0.0  0
 87J  CONST_60  N28   C27  N25  C26  180.00   0.0  0
 87J  CONST_61  N32   C31  C30  C23  180.00   0.0  0
 87J  CONST_62  N28   C29  C24  C23  180.00   0.0  0
 87J  CONST_63  H151  C15  C06  C07  180.00   0.0  0
 87J  CONST_64  H071  C07  C06  C15  180.00   0.0  0
 87J  CONST_65  H411  C41  C22  C21  180.00   0.0  0
 87J  CONST_66  H311  C31  C30  C39  180.00   0.0  0
 87J  CONST_67  H141  C14  C09  C08  180.00   0.0  0
 87J  CONST_68  H081  C08  C09  C14  180.00   0.0  0
 87J  CONST_69  H211  C21  C22  C41  180.00   0.0  0
 87J  CONST_70  H391  C39  C30  C31  180.00   0.0  0
 87J  CONST_71  H271  C27  N28  C29  180.00   0.0  0
 87J  CONST_72  H291  C29  N28  C27  180.00   0.0  0
 87J  CONST_73  H201  C20  C19  C18  180.00   0.0  0
 87J  CONST_74  H381  C38  C39  C30  180.00   0.0  0
 87J  Var_01    C11   S10  C09  C08   94.97  30.0  2
 87J  Var_02    F35   C34  C33  C38  120.08  30.0  2
 87J  Var_03    N04   C03  O02  C01    0.08  30.0  1
 87J  Var_04    H263  C26  N25  C27  130.79  30.0  2
 87J  Var_05    H3    C11  S10  C09   59.90  30.0  3
 87J  Var_06    H011  C01  O02  C03  179.60  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
 87J  chir_01  C23  C30  C24  C22  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
 87J  plan-1  C29   0.020
 87J  plan-1  C27   0.020
 87J  plan-1  C24   0.020
 87J  plan-1  C23   0.020
 87J  plan-1  N28   0.020
 87J  plan-1  N25   0.020
 87J  plan-1  H291  0.020
 87J  plan-1  H271  0.020
 87J  plan-1  C26   0.020
 87J  plan-2  C07   0.020
 87J  plan-2  C15   0.020
 87J  plan-2  C08   0.020
 87J  plan-2  C14   0.020
 87J  plan-2  C06   0.020
 87J  plan-2  C05   0.020
 87J  plan-2  C09   0.020
 87J  plan-2  S10   0.020
 87J  plan-2  H071  0.020
 87J  plan-2  H151  0.020
 87J  plan-2  H081  0.020
 87J  plan-2  H141  0.020
 87J  plan-3  C39   0.020
 87J  plan-3  C38   0.020
 87J  plan-3  C31   0.020
 87J  plan-3  C30   0.020
 87J  plan-3  C33   0.020
 87J  plan-3  C23   0.020
 87J  plan-3  C34   0.020
 87J  plan-3  N32   0.020
 87J  plan-3  H391  0.020
 87J  plan-3  H381  0.020
 87J  plan-3  H311  0.020
 87J  plan-4  C21   0.020
 87J  plan-4  C20   0.020
 87J  plan-4  C41   0.020
 87J  plan-4  C18   0.020
 87J  plan-4  C06   0.020
 87J  plan-4  C05   0.020
 87J  plan-4  C22   0.020
 87J  plan-4  C19   0.020
 87J  plan-4  C16   0.020
 87J  plan-4  C03   0.020
 87J  plan-4  C23   0.020
 87J  plan-4  N04   0.020
 87J  plan-4  O02   0.020
 87J  plan-4  CL17  0.020
 87J  plan-4  H211  0.020
 87J  plan-4  H201  0.020
 87J  plan-4  H411  0.020

