# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Tue Aug  2 00:15:29 2022
#   Inital geometry file: a 175 line input string
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: Oc1c2Sc3cc(cc(Sc4cc(cc(Sc5cc(cc(Sc1cc(c2)[S](O)(=O)=O)c5O)[S](O)(=O)=O)c4O)[S](O)(=O)=O)c3O)[S](O)(=O)=O
#
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
 80M  80M  "sulfonato-thiacalix[4]arene"
  ligand  60  48  .  2022-09-16  2022-09-16
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as PERFECT
;

data_comp_80M
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
 80M  C01  C  CR16   0  -0.203  10.7015   0.9303   3.4795
 80M  C02  C  CR6    0  -0.221   9.5776   1.7392   3.4313
 80M  C03  C  CR16   0  -0.210   9.6331   3.0141   3.9746
 80M  C04  C  CR6    0  -0.260  10.7966   3.4689   4.5743
 80M  C05  C  CR6    0   0.434  11.9374   2.6530   4.6361
 80M  C06  C  CR6    0  -0.235  11.8705   1.3684   4.0855
 80M  C08  C  CR6    0  -0.247  12.6082  -1.0874   4.9936
 80M  C09  C  CR16   0  -0.225  12.3536  -2.2655   4.3104
 80M  C10  C  CR6    0  -0.218  11.8348  -3.3735   4.9718
 80M  C11  C  CR16   0  -0.249  11.5266  -3.2810   6.3163
 80M  C12  C  CR6    0  -0.258  11.7754  -2.1057   7.0138
 80M  C13  C  CR6    0   0.489  12.3620  -1.0089   6.3718
 80M  C16  C  CR6    0  -0.241  10.0881  -0.8065   8.7027
 80M  C17  C  CR6    0   0.419  10.2575   0.3934   9.4031
 80M  C18  C  CR6    0  -0.240   9.2619   1.3705   9.3160
 80M  C19  C  CR16   0  -0.212   8.1061   1.1313   8.5848
 80M  C20  C  CR6    0  -0.219   7.9405  -0.0643   7.9078
 80M  C21  C  CR16   0  -0.197   8.9340  -1.0330   7.9720
 80M  C27  C  CR6    0  -0.257   9.2224   4.0442   8.7846
 80M  C28  C  CR6    0   0.494  10.1182   4.1416   7.7157
 80M  C29  C  CR6    0  -0.220   9.7864   4.9727   6.6370
 80M  C30  C  CR16   0  -0.233   8.6305   5.7343   6.6724
 80M  C31  C  CR6    0  -0.218   7.7819   5.6841   7.7728
 80M  C32  C  CR16   0  -0.239   8.0733   4.8268   8.8167
 80M  O14  O  OH1    0  -0.593  12.6737   0.1184   7.0059
 80M  O23  O  OS     0  -0.740   6.8589  -1.0809   5.7728
 80M  O24  O  OS    -1  -0.736   5.8011   0.9063   6.7812
 80M  O25  O  OS     0  -0.747   5.6461  -1.2787   7.9013
 80M  O34  O  OS    -1  -0.736   5.6273   6.3805   9.0593
 80M  O35  O  OS     0  -0.743   5.5757   6.3883   6.5932
 80M  O36  O  OS     0  -0.746   6.8623   8.1001   7.7989
 80M  O38  O  OH1    0  -0.595  11.2611   3.4651   7.6472
 80M  O39  O  OH1    0  -0.603  11.3916   0.5531  10.0924
 80M  O41  O  OS    -1  -0.737  11.0196  -5.8491   5.0383
 80M  O42  O  OS     0  -0.747  12.8490  -5.2489   3.5007
 80M  O43  O  OS     0  -0.746  10.5519  -4.5036   3.0264
 80M  O44  O  OH1    0  -0.596  13.0822   3.0544   5.1837
 80M  O46  O  OS     0  -0.750   8.1610   1.8343   1.2579
 80M  O47  O  OS    -1  -0.743   6.9817   1.6957   3.4106
 80M  O48  O  OS     0  -0.739   8.1863  -0.2706   2.5299
 80M  S07  S  S2     0   0.078  13.2944   0.3059   4.1419
 80M  S15  S  S2     0   0.062  11.4021  -2.0069   8.7417
 80M  S22  S  S      0   1.414   6.4245  -0.4073   7.0069
 80M  S26  S  S2     0   0.038   9.5298   2.9320  10.1291
 80M  S33  S  S      0   1.416   6.3260   6.7302   7.8119
 80M  S37  S  S2     0   0.049  10.8734   5.1126   5.2455
 80M  S40  S  S      0   1.414  11.5346  -4.8828   4.0540
 80M  S45  S  S      0   1.412   8.0927   1.1976   2.5836
 80M  H1   H  HCR6   0   0.280  10.6702  -0.0631   3.0506
 80M  H2   H  HCR6   0   0.283   8.7686   3.6659   3.9424
 80M  H3   H  HCR6   0   0.283  12.5642  -2.3055   3.2487
 80M  H4   H  HCR6   0   0.283  11.0830  -4.1188   6.8371
 80M  H5   H  HCR6   0   0.287   7.3440   1.8979   8.5300
 80M  H6   H  HCR6   0   0.285   8.8269  -1.9664   7.4332
 80M  H7   H  HCR6   0   0.285   8.3987   6.3708   5.8273
 80M  H8   H  HCR6   0   0.288   7.4031   4.7440   9.6619
 80M  H9   H  HOH1   0   0.478  12.6398  -0.0118   7.9663
 80M  H10  H  HOH1   0   0.478  11.4933   3.0860   8.5060
 80M  H11  H  HOH1   0   0.479  11.4570   1.4418  10.4726
 80M  H12  H  HOH1   0   0.474  12.9525   3.9103   5.6219

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
 80M  O46  S45  deloc     1.472  0.020  1.472
 80M  S45  O48  deloc     1.472  0.020  1.472
 80M  S45  O47  deloc     1.472  0.020  1.472
 80M  S45  C02  single    1.794  0.020  1.794
 80M  O43  S40  deloc     1.471  0.020  1.471
 80M  C02  C01  aromatic  1.386  0.020  1.386
 80M  C02  C03  aromatic  1.387  0.020  1.387
 80M  C01  C06  single    1.388  0.020  1.388
 80M  O42  S40  deloc     1.472  0.020  1.472
 80M  C03  C04  single    1.386  0.020  1.386
 80M  C06  S07  single    1.777  0.020  1.777
 80M  C06  C05  aromatic  1.399  0.020  1.399
 80M  S40  O41  deloc     1.472  0.020  1.472
 80M  S40  C10  single    1.792  0.020  1.792
 80M  S07  C08  single    1.771  0.020  1.771
 80M  C09  C10  aromatic  1.391  0.020  1.391
 80M  C09  C08  single    1.386  0.020  1.386
 80M  C04  C05  aromatic  1.404  0.020  1.404
 80M  C04  S37  single    1.777  0.020  1.777
 80M  C05  O44  single    1.331  0.020  1.331
 80M  C10  C11  aromatic  1.382  0.020  1.382
 80M  C08  C13  aromatic  1.402  0.020  1.402
 80M  S37  C29  single    1.771  0.020  1.771
 80M  O35  S33  deloc     1.471  0.020  1.471
 80M  C11  C12  single    1.389  0.020  1.389
 80M  C13  C12  aromatic  1.400  0.020  1.400
 80M  C13  O14  single    1.330  0.020  1.330
 80M  C30  C29  single    1.385  0.020  1.385
 80M  C30  C31  aromatic  1.391  0.020  1.391
 80M  C29  C28  aromatic  1.402  0.020  1.402
 80M  C12  S15  single    1.771  0.020  1.771
 80M  S33  C31  single    1.793  0.020  1.793
 80M  S33  O36  deloc     1.471  0.020  1.471
 80M  S33  O34  deloc     1.472  0.020  1.472
 80M  C31  C32  aromatic  1.382  0.020  1.382
 80M  C28  O38  single    1.330  0.020  1.330
 80M  C28  C27  aromatic  1.398  0.020  1.398
 80M  C32  C27  single    1.391  0.020  1.391
 80M  O23  S22  deloc     1.472  0.020  1.472
 80M  S15  C16  single    1.780  0.020  1.780
 80M  C27  S26  single    1.772  0.020  1.772
 80M  C16  C21  single    1.385  0.020  1.385
 80M  C16  C17  aromatic  1.400  0.020  1.400
 80M  C21  C20  aromatic  1.389  0.020  1.389
 80M  O39  C17  single    1.337  0.020  1.337
 80M  C17  C18  aromatic  1.398  0.020  1.398
 80M  C20  S22  single    1.797  0.020  1.797
 80M  C20  C19  aromatic  1.384  0.020  1.384
 80M  S22  O25  deloc     1.471  0.020  1.471
 80M  S22  O24  deloc     1.471  0.020  1.471
 80M  C18  C19  single    1.388  0.020  1.388
 80M  C18  S26  single    1.781  0.020  1.781
 80M  C01  H1   single    0.930  0.020  1.080
 80M  C03  H2   single    0.930  0.020  1.080
 80M  C09  H3   single    0.930  0.020  1.080
 80M  C11  H4   single    0.930  0.020  1.080
 80M  C19  H5   single    0.930  0.020  1.080
 80M  C21  H6   single    0.930  0.020  1.080
 80M  C30  H7   single    0.930  0.020  1.080
 80M  C32  H8   single    0.930  0.020  1.080
 80M  O14  H9   single    0.850  0.020  0.980
 80M  O38  H10  single    0.850  0.020  0.980
 80M  O39  H11  single    0.850  0.020  0.980
 80M  O44  H12  single    0.850  0.020  0.980

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
 80M  H1   C01  C06  119.15  3.000
 80M  H1   C01  C02  119.90  3.000
 80M  C06  C01  C02  120.94  3.000
 80M  S45  C02  C03  119.72  3.000
 80M  C03  C02  C01  119.38  3.000
 80M  S45  C02  C01  120.77  3.000
 80M  H2   C03  C04  119.04  3.000
 80M  H2   C03  C02  120.64  3.000
 80M  C04  C03  C02  120.32  3.000
 80M  S37  C04  C05  119.07  3.000
 80M  S37  C04  C03  120.22  3.000
 80M  C05  C04  C03  120.70  3.000
 80M  O44  C05  C06  118.68  3.000
 80M  O44  C05  C04  122.80  3.000
 80M  C06  C05  C04  118.52  3.000
 80M  S07  C06  C05  119.87  3.000
 80M  C05  C06  C01  120.13  3.000
 80M  S07  C06  C01  120.00  3.000
 80M  S07  C08  C13  119.78  3.000
 80M  C13  C08  C09  120.00  3.000
 80M  S07  C08  C09  120.19  3.000
 80M  H3   C09  C10  120.62  3.000
 80M  H3   C09  C08  118.62  3.000
 80M  C10  C09  C08  120.76  3.000
 80M  S40  C10  C11  121.14  3.000
 80M  C11  C10  C09  119.50  3.000
 80M  S40  C10  C09  119.34  3.000
 80M  H4   C11  C12  119.14  3.000
 80M  H4   C11  C10  120.52  3.000
 80M  C12  C11  C10  120.33  3.000
 80M  S15  C12  C13  119.49  3.000
 80M  S15  C12  C11  119.97  3.000
 80M  C13  C12  C11  120.51  3.000
 80M  O14  C13  C12  122.93  3.000
 80M  O14  C13  C08  118.34  3.000
 80M  C12  C13  C08  118.72  3.000
 80M  S15  C16  C21  121.10  3.000
 80M  C21  C16  C17  120.34  3.000
 80M  S15  C16  C17  118.54  3.000
 80M  O39  C17  C18  123.57  3.000
 80M  C18  C17  C16  118.81  3.000
 80M  O39  C17  C16  117.59  3.000
 80M  S26  C18  C19  121.11  3.000
 80M  S26  C18  C17  118.52  3.000
 80M  C19  C18  C17  120.35  3.000
 80M  H5   C19  C20  120.19  3.000
 80M  H5   C19  C18  119.39  3.000
 80M  C20  C19  C18  120.40  3.000
 80M  S22  C20  C21  119.58  3.000
 80M  S22  C20  C19  120.74  3.000
 80M  C21  C20  C19  119.63  3.000
 80M  H6   C21  C20  120.49  3.000
 80M  H6   C21  C16  119.07  3.000
 80M  C20  C21  C16  120.43  3.000
 80M  S26  C27  C32  118.63  3.000
 80M  S26  C27  C28  120.85  3.000
 80M  C32  C27  C28  120.53  3.000
 80M  O38  C28  C29  117.74  3.000
 80M  O38  C28  C27  123.69  3.000
 80M  C29  C28  C27  118.56  3.000
 80M  S37  C29  C30  119.27  3.000
 80M  C30  C29  C28  120.27  3.000
 80M  S37  C29  C28  120.41  3.000
 80M  H7   C30  C31  120.54  3.000
 80M  H7   C30  C29  118.81  3.000
 80M  C31  C30  C29  120.64  3.000
 80M  S33  C31  C32  121.11  3.000
 80M  C32  C31  C30  119.45  3.000
 80M  S33  C31  C30  119.45  3.000
 80M  H8   C32  C31  120.47  3.000
 80M  H8   C32  C27  119.14  3.000
 80M  C31  C32  C27  120.39  3.000
 80M  H9   O14  C13  110.48  3.000
 80M  H10  O38  C28  111.10  3.000
 80M  H11  O39  C17  111.67  3.000
 80M  H12  O44  C05  109.69  3.000
 80M  C08  S07  C06  100.09  3.000
 80M  C16  S15  C12   99.90  3.000
 80M  O25  S22  O24  113.44  3.000
 80M  O24  S22  O23  113.89  3.000
 80M  O25  S22  O23  113.25  3.000
 80M  O24  S22  C20  105.31  3.000
 80M  O25  S22  C20  104.76  3.000
 80M  O23  S22  C20  105.00  3.000
 80M  C27  S26  C18  100.24  3.000
 80M  O36  S33  O35  113.26  3.000
 80M  O36  S33  O34  113.68  3.000
 80M  O35  S33  O34  113.87  3.000
 80M  O34  S33  C31  105.38  3.000
 80M  O36  S33  C31  104.30  3.000
 80M  O35  S33  C31  105.10  3.000
 80M  C29  S37  C04  101.37  3.000
 80M  O43  S40  O42  113.44  3.000
 80M  O42  S40  O41  113.60  3.000
 80M  O43  S40  O41  113.73  3.000
 80M  O41  S40  C10  105.60  3.000
 80M  O42  S40  C10  104.62  3.000
 80M  O43  S40  C10  104.62  3.000
 80M  O48  S45  O47  113.95  3.000
 80M  O47  S45  O46  113.24  3.000
 80M  O48  S45  O46  113.30  3.000
 80M  O47  S45  C02  104.90  3.000
 80M  O48  S45  C02  105.41  3.000
 80M  O46  S45  C02  104.87  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
 80M  CONST_01  C04  C03  C02  C01     0.00   0.0  0
 80M  CONST_03  C04  C05  C06  C01     0.00   0.0  0
 80M  CONST_04  C05  C06  C01  C02     0.00   0.0  0
 80M  CONST_05  C05  C04  C03  C02     0.00   0.0  0
 80M  CONST_06  C06  C01  C02  C03     0.00   0.0  0
 80M  CONST_07  C06  C05  C04  C03     0.00   0.0  0
 80M  CONST_15  C11  C10  C09  C08     0.00   0.0  0
 80M  CONST_16  C11  C12  C13  C08     0.00   0.0  0
 80M  CONST_17  C12  C11  C10  C09     0.00   0.0  0
 80M  CONST_18  C12  C13  C08  C09     0.00   0.0  0
 80M  CONST_19  C13  C08  C09  C10     0.00   0.0  0
 80M  CONST_20  C13  C12  C11  C10     0.00   0.0  0
 80M  CONST_25  C19  C20  C21  C16     0.00   0.0  0
 80M  CONST_26  C19  C18  C17  C16     0.00   0.0  0
 80M  CONST_27  C20  C21  C16  C17     0.00   0.0  0
 80M  CONST_28  C20  C19  C18  C17     0.00   0.0  0
 80M  CONST_30  C21  C16  C17  C18     0.00   0.0  0
 80M  CONST_31  C21  C20  C19  C18     0.00   0.0  0
 80M  CONST_35  C30  C29  C28  C27     0.00   0.0  0
 80M  CONST_36  C30  C31  C32  C27     0.00   0.0  0
 80M  CONST_37  C31  C30  C29  C28     0.00   0.0  0
 80M  CONST_38  C31  C32  C27  C28     0.00   0.0  0
 80M  CONST_39  C32  C31  C30  C29     0.00   0.0  0
 80M  CONST_40  C32  C27  C28  C29     0.00   0.0  0
 80M  CONST_41  O44  C05  C06  C01   180.00   0.0  0
 80M  CONST_42  O44  C05  C04  C03   180.00   0.0  0
 80M  CONST_43  S45  C02  C03  C04   180.00   0.0  0
 80M  CONST_44  S45  C02  C01  C06   180.00   0.0  0
 80M  CONST_45  S40  C10  C09  C08   180.00   0.0  0
 80M  CONST_46  O14  C13  C08  C09   180.00   0.0  0
 80M  CONST_47  O14  C13  C12  C11   180.00   0.0  0
 80M  CONST_48  S40  C10  C11  C12   180.00   0.0  0
 80M  CONST_49  S22  C20  C21  C16   180.00   0.0  0
 80M  CONST_50  S22  C20  C19  C18   180.00   0.0  0
 80M  CONST_51  O39  C17  C18  C19   180.00   0.0  0
 80M  CONST_52  O39  C17  C16  C21   180.00   0.0  0
 80M  CONST_53  S33  C31  C32  C27   180.00   0.0  0
 80M  CONST_54  S33  C31  C30  C29   180.00   0.0  0
 80M  CONST_55  O38  C28  C29  C30   180.00   0.0  0
 80M  CONST_56  O38  C28  C27  C32   180.00   0.0  0
 80M  CONST_57  S07  C08  C13  O14     0.00   0.0  0
 80M  CONST_58  S15  C12  C13  O14     0.00   0.0  0
 80M  CONST_59  S37  C29  C28  O38     0.00   0.0  0
 80M  CONST_60  S26  C27  C28  O38     0.00   0.0  0
 80M  CONST_61  S15  C16  C17  O39     0.00   0.0  0
 80M  CONST_62  S26  C18  C17  O39     0.00   0.0  0
 80M  CONST_63  S07  C06  C05  O44     0.00   0.0  0
 80M  CONST_64  S37  C04  C05  O44     0.00   0.0  0
 80M  CONST_65  H2   C03  C02  C01   180.00   0.0  0
 80M  CONST_66  H1   C01  C02  C03   180.00   0.0  0
 80M  CONST_67  H1   C01  C06  C05   180.00   0.0  0
 80M  CONST_68  H2   C03  C04  C05   180.00   0.0  0
 80M  CONST_69  H4   C11  C10  C09   180.00   0.0  0
 80M  CONST_70  H3   C09  C10  C11   180.00   0.0  0
 80M  CONST_71  H3   C09  C08  C13   180.00   0.0  0
 80M  CONST_72  H4   C11  C12  C13   180.00   0.0  0
 80M  CONST_73  H6   C21  C16  C17   180.00   0.0  0
 80M  CONST_74  H5   C19  C18  C17   180.00   0.0  0
 80M  CONST_75  H6   C21  C20  C19   180.00   0.0  0
 80M  CONST_76  H5   C19  C20  C21   180.00   0.0  0
 80M  CONST_77  H7   C30  C29  C28   180.00   0.0  0
 80M  CONST_78  H8   C32  C27  C28   180.00   0.0  0
 80M  CONST_79  H8   C32  C31  C30   180.00   0.0  0
 80M  CONST_80  H7   C30  C31  C32   180.00   0.0  0
 80M  CONST_81  H1   C01  C06  S07     0.00   0.0  0
 80M  CONST_82  H3   C09  C08  S07     0.00   0.0  0
 80M  CONST_83  H4   C11  C12  S15     0.00   0.0  0
 80M  CONST_84  H6   C21  C16  S15     0.00   0.0  0
 80M  CONST_85  H8   C32  C27  S26     0.00   0.0  0
 80M  CONST_86  H5   C19  C18  S26     0.00   0.0  0
 80M  CONST_87  H2   C03  C04  S37     0.00   0.0  0
 80M  CONST_88  H7   C30  C29  S37     0.00   0.0  0
 80M  Var_01    O46  S45  C02  C01   -97.95  30.0  3
 80M  Var_02    O48  S45  C02  C01    21.90  30.0  3
 80M  Var_03    O47  S45  C02  C01   142.50  30.0  3
 80M  Var_04    O46  S45  C02  C03    78.04  30.0  3
 80M  Var_05    O48  S45  C02  C03  -162.11  30.0  3
 80M  Var_06    O47  S45  C02  C03   -41.50  30.0  3
 80M  Var_07    O43  S40  C10  C09   -60.76  30.0  2
 80M  Var_08    O42  S40  C10  C09    58.77  30.0  2
 80M  Var_09    O41  S40  C10  C09   178.93  30.0  2
 80M  Var_10    O43  S40  C10  C11   117.51  30.0  2
 80M  Var_11    O42  S40  C10  C11  -122.96  30.0  2
 80M  Var_12    O41  S40  C10  C11    -2.81  30.0  2
 80M  Var_13    O23  S22  C20  C19   140.23  30.0  2
 80M  Var_14    O25  S22  C20  C19  -100.22  30.0  2
 80M  Var_15    O24  S22  C20  C19    19.69  30.0  2
 80M  Var_16    O23  S22  C20  C21   -42.50  30.0  2
 80M  Var_17    O25  S22  C20  C21    77.05  30.0  2
 80M  Var_18    O24  S22  C20  C21  -163.04  30.0  2
 80M  Var_19    O35  S33  C31  C30    56.51  30.0  3
 80M  Var_20    O36  S33  C31  C30   -62.89  30.0  3
 80M  Var_21    O34  S33  C31  C30   177.10  30.0  3
 80M  Var_22    O35  S33  C31  C32  -123.35  30.0  3
 80M  Var_23    O36  S33  C31  C32   117.25  30.0  3
 80M  Var_24    O34  S33  C31  C32    -2.76  30.0  3

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
 80M  plan-1  C01  0.020
 80M  plan-1  C02  0.020
 80M  plan-1  C03  0.020
 80M  plan-1  C04  0.020
 80M  plan-1  C05  0.020
 80M  plan-1  C06  0.020
 80M  plan-1  O44  0.020
 80M  plan-1  S07  0.020
 80M  plan-1  S37  0.020
 80M  plan-1  S45  0.020
 80M  plan-1  H1   0.020
 80M  plan-1  H2   0.020
 80M  plan-2  C08  0.020
 80M  plan-2  C09  0.020
 80M  plan-2  C10  0.020
 80M  plan-2  C11  0.020
 80M  plan-2  C12  0.020
 80M  plan-2  C13  0.020
 80M  plan-2  O14  0.020
 80M  plan-2  S07  0.020
 80M  plan-2  S15  0.020
 80M  plan-2  S40  0.020
 80M  plan-2  H3   0.020
 80M  plan-2  H4   0.020
 80M  plan-3  C16  0.020
 80M  plan-3  C17  0.020
 80M  plan-3  C18  0.020
 80M  plan-3  C19  0.020
 80M  plan-3  C20  0.020
 80M  plan-3  C21  0.020
 80M  plan-3  O39  0.020
 80M  plan-3  S15  0.020
 80M  plan-3  S22  0.020
 80M  plan-3  S26  0.020
 80M  plan-3  H5   0.020
 80M  plan-3  H6   0.020
 80M  plan-4  C27  0.020
 80M  plan-4  C28  0.020
 80M  plan-4  C29  0.020
 80M  plan-4  C30  0.020
 80M  plan-4  C31  0.020
 80M  plan-4  C32  0.020
 80M  plan-4  O38  0.020
 80M  plan-4  S26  0.020
 80M  plan-4  S33  0.020
 80M  plan-4  S37  0.020
 80M  plan-4  H7   0.020
 80M  plan-4  H8   0.020

