# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Wed May 13 11:42:36 2020
#   Inital geometry file: a 157 line input string
#   Ligand name: ~{N}-[4-[[3-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoylamino]phenyl]methoxy]phenyl]-1-methyl-pyrazole-4-carboxamide
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: Cn1cc(cn1)C(=O)Nc2ccc(OCc3cccc(NC(=O)CSc4nc(C)cc(C)n4)c3)cc2
#
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
 L5C  L5C  ~{N}-[4-[[3-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoylamino]phenyl]methoxy]phenyl]-1-methyl-pyrazole-4-carboxamide  ligand  62  36  .  2021-08-12  2021-08-12  
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as PERFECT
;

data_comp_L5C
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
 L5C  C11   C  CR16  0  -0.339   -3.8922  -0.7463  -1.1854
 L5C  C13   C  CR6   0   0.356   -5.8064   0.0453   0.0466
 L5C  C14   C  CR16  0  -0.339   -5.0687  -0.0999   1.2172
 L5C  C15   C  CR16  0  -0.368   -3.7595  -0.5592   1.1998
 L5C  C17   C  C     0   0.496   -8.1358   0.4291  -0.7222
 L5C  C19   C  CR5   0  -0.298   -9.4002   1.0311  -0.2845
 L5C  C20   C  CR15  0  -0.071   -9.7448   1.7682   0.8669
 L5C  C02   C  CR6   0   0.398    2.5352  -1.9798   0.1401
 L5C  C03   C  CR16  0  -0.403    1.3177  -1.4212   0.5386
 L5C  C04   C  CR6   0   0.118    0.1681  -2.1892   0.6206
 L5C  C05   C  CR16  0  -0.304    0.2226  -3.5412   0.2929
 L5C  C06   C  CR16  0  -0.233    1.4256  -4.0967  -0.1063
 L5C  C07   C  CR16  0  -0.322    2.5842  -3.3342  -0.1873
 L5C  C08   C  CH2   0  -0.270   -1.1308  -1.5667   1.0366
 L5C  C10   C  CR6   0   0.373   -3.1598  -0.8973  -0.0093
 L5C  C12   C  CR16  0  -0.292   -5.1938  -0.2784  -1.1667
 L5C  N16   N  NH1   0  -0.763   -7.1119   0.5435   0.1615
 L5C  O18   O  O     0  -0.476   -8.0381  -0.1259  -1.8069
 L5C  N21   N  N     0  -0.271  -11.0109   2.1232   0.8439
 L5C  N22   N  NR5   0  -0.266  -11.4982   1.6329  -0.2967
 L5C  C23   C  CR15  0   0.091  -10.5787   0.9760  -1.0063
 L5C  C24   C  CH3   0  -0.507  -12.8844   1.8496  -0.6386
 L5C  C25   C  C     0   0.568    4.9255  -1.3863  -0.1983
 L5C  O26   O  O     0  -0.456    5.3529  -2.4791  -0.5183
 L5C  C27   C  CH2   0  -0.700    5.8295  -0.1754  -0.0924
 L5C  S28   S  S2    0   0.071    7.4952  -0.7024  -0.5507
 L5C  C29   C  CR6   0   0.218    8.3989   0.7876  -0.3316
 L5C  N30   N  N     0  -0.441    9.6917   0.6425  -0.5852
 L5C  C31   C  CR6   0   0.285   10.4531   1.7232  -0.4418
 L5C  C32   C  CR16  0  -0.400    9.8988   2.9358  -0.0458
 L5C  C33   C  CR6   0   0.300    8.5342   2.9795   0.1945
 L5C  N34   N  N     0  -0.429    7.7791   1.8878   0.0484
 L5C  C35   C  CH3   0  -0.719    7.8457   4.2299   0.6308
 L5C  C36   C  CH3   0  -0.720   11.9113   1.5753  -0.7259
 L5C  H111  H  HCR6  0   0.264   -3.4321  -0.9950  -2.1336
 L5C  H141  H  HCR6  0   0.272   -5.5176   0.1486   2.1716
 L5C  H151  H  HCR6  0   0.284   -3.2353  -0.6478   2.1415
 L5C  H201  H  HCR5  0   0.266   -9.1249   2.0586   1.7031
 L5C  H011  H  HNH1  0   0.425    3.4267  -0.1567   0.3426
 L5C  H031  H  HCR6  0   0.271    1.2709  -0.3678   0.7931
 L5C  H051  H  HCR6  0   0.255   -0.6665  -4.1563   0.3566
 L5C  H061  H  HCR6  0   0.262    1.4755  -5.1479  -0.3584
 L5C  H071  H  HCR6  0   0.284    3.5035  -3.8007  -0.4989
 L5C  H081  H  HCH2  0   0.242   -1.6601  -2.2305   1.7288
 L5C  H082  H  HCH2  0   0.244   -0.9568  -0.6161   1.5526
 L5C  H121  H  HCR6  0   0.276   -5.7177  -0.1643  -2.1017
 L5C  H161  H  HNH1  0   0.416   -7.3281   0.9448   1.0605
 L5C  H231  H  HCR5  0   0.304  -10.8057   0.5196  -1.9558
 L5C  H241  H  HCH3  0   0.266  -13.0888   2.9152  -0.7163
 L5C  H243  H  HCH3  0   0.263  -13.0900   1.3782  -1.5947
 L5C  H242  H  HCH3  0   0.266  -13.5303   1.4137   0.1204
 L5C  H271  H  HCH2  0   0.319    5.4822   0.6226  -0.7506
 L5C  H272  H  HCH2  0   0.320    5.8210   0.2167   0.9261
 L5C  H321  H  HCR6  0   0.273   10.5147   3.8163   0.0725
 L5C  H353  H  HCH3  0   0.261    7.0213   4.4672  -0.0421
 L5C  H352  H  HCH3  0   0.263    7.4202   4.0992   1.6270
 L5C  H351  H  HCH3  0   0.251    8.5287   5.0761   0.6572
 L5C  H363  H  HCH3  0   0.264   12.0674   1.3237  -1.7758
 L5C  H362  H  HCH3  0   0.251   12.4597   2.4883  -0.5056
 L5C  H361  H  HCH3  0   0.262   12.3331   0.7629  -0.1338
 L5C  O09   O  O2    0  -0.470   -1.8991  -1.3644  -0.1396
 L5C  N01   N  NH1   0  -0.746    3.6343  -1.1144   0.0998

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
 L5C  C06  C05   aromatic  1.384  0.020  1.384
 L5C  C06  C07   aromatic  1.389  0.020  1.389
 L5C  C05  C04   aromatic  1.392  0.020  1.392
 L5C  C07  C02   aromatic  1.394  0.020  1.394
 L5C  C12  C11   aromatic  1.383  0.020  1.383
 L5C  C12  C13   aromatic  1.397  0.020  1.397
 L5C  C20  N21   aromatic  1.315  0.020  1.315
 L5C  C20  C19   aromatic  1.410  0.020  1.410
 L5C  C11  C10   aromatic  1.394  0.020  1.394
 L5C  N21  N22   aromatic  1.334  0.020  1.334
 L5C  C04  C08   single    1.499  0.020  1.499
 L5C  C04  C03   aromatic  1.385  0.020  1.385
 L5C  C08  O09   single    1.419  0.020  1.419
 L5C  C35  C33   single    1.493  0.020  1.493
 L5C  N16  C13   single    1.402  0.020  1.402
 L5C  N16  C17   single    1.357  0.020  1.357
 L5C  C13  C14   aromatic  1.391  0.020  1.391
 L5C  C10  O09   single    1.351  0.020  1.351
 L5C  C10  C15   aromatic  1.391  0.020  1.391
 L5C  C02  C03   aromatic  1.398  0.020  1.398
 L5C  C02  N01   single    1.399  0.020  1.399
 L5C  C19  C17   single    1.467  0.020  1.467
 L5C  C19  C23   aromatic  1.383  0.020  1.383
 L5C  N22  C24   single    1.444  0.020  1.444
 L5C  N22  C23   aromatic  1.334  0.020  1.334
 L5C  C14  C15   aromatic  1.388  0.020  1.388
 L5C  C17  O18   double    1.222  0.020  1.222
 L5C  C33  C32   aromatic  1.386  0.020  1.386
 L5C  C33  N34   aromatic  1.335  0.020  1.335
 L5C  C32  C31   aromatic  1.391  0.020  1.391
 L5C  N01  C25   single    1.353  0.020  1.353
 L5C  N34  C29   aromatic  1.319  0.020  1.319
 L5C  C31  C36   single    1.493  0.020  1.493
 L5C  C31  N30   aromatic  1.330  0.020  1.330
 L5C  C25  O26   double    1.216  0.020  1.216
 L5C  C25  C27   single    1.515  0.020  1.515
 L5C  C29  N30   aromatic  1.325  0.020  1.325
 L5C  C29  S28   single    1.756  0.020  1.756
 L5C  C27  S28   single    1.806  0.020  1.806
 L5C  C11  H111  single    0.930  0.020  1.080
 L5C  C14  H141  single    0.930  0.020  1.080
 L5C  C15  H151  single    0.930  0.020  1.080
 L5C  C20  H201  single    0.930  0.020  1.080
 L5C  N01  H011  single    0.860  0.020  1.020
 L5C  C03  H031  single    0.930  0.020  1.080
 L5C  C05  H051  single    0.930  0.020  1.080
 L5C  C06  H061  single    0.930  0.020  1.080
 L5C  C07  H071  single    0.930  0.020  1.080
 L5C  C08  H081  single    0.970  0.020  1.090
 L5C  C08  H082  single    0.970  0.020  1.090
 L5C  C12  H121  single    0.930  0.020  1.080
 L5C  N16  H161  single    0.860  0.020  1.020
 L5C  C23  H231  single    0.930  0.020  1.080
 L5C  C24  H241  single    0.970  0.020  1.090
 L5C  C24  H243  single    0.970  0.020  1.090
 L5C  C24  H242  single    0.970  0.020  1.090
 L5C  C27  H271  single    0.970  0.020  1.090
 L5C  C27  H272  single    0.970  0.020  1.090
 L5C  C32  H321  single    0.930  0.020  1.080
 L5C  C35  H353  single    0.970  0.020  1.090
 L5C  C35  H352  single    0.970  0.020  1.090
 L5C  C35  H351  single    0.970  0.020  1.090
 L5C  C36  H363  single    0.970  0.020  1.090
 L5C  C36  H362  single    0.970  0.020  1.090
 L5C  C36  H361  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
 L5C  H111  C11  C12   119.30  3.000
 L5C  H111  C11  C10   119.39  3.000
 L5C  C12   C11  C10   121.31  3.000
 L5C  N16   C13  C12   124.18  3.000
 L5C  N16   C13  C14   117.51  3.000
 L5C  C12   C13  C14   118.29  3.000
 L5C  H141  C14  C15   118.54  3.000
 L5C  H141  C14  C13   119.83  3.000
 L5C  C15   C14  C13   121.62  3.000
 L5C  H151  C15  C10   121.86  3.000
 L5C  H151  C15  C14   118.27  3.000
 L5C  C10   C15  C14   119.87  3.000
 L5C  O18   C17  N16   123.76  3.000
 L5C  O18   C17  C19   121.32  3.000
 L5C  N16   C17  C19   114.92  3.000
 L5C  C23   C19  C20   103.81  3.000
 L5C  C23   C19  C17   124.21  3.000
 L5C  C20   C19  C17   131.97  3.000
 L5C  H201  C20  N21   119.55  3.000
 L5C  H201  C20  C19   129.22  3.000
 L5C  N21   C20  C19   111.23  3.000
 L5C  C07   C02  C03   119.06  3.000
 L5C  C03   C02  N01   116.44  3.000
 L5C  C07   C02  N01   124.50  3.000
 L5C  H031  C03  C04   119.26  3.000
 L5C  H031  C03  C02   119.51  3.000
 L5C  C04   C03  C02   121.22  3.000
 L5C  C08   C04  C05   120.16  3.000
 L5C  C08   C04  C03   120.35  3.000
 L5C  C05   C04  C03   119.48  3.000
 L5C  H051  C05  C06   120.17  3.000
 L5C  H051  C05  C04   120.37  3.000
 L5C  C06   C05  C04   119.45  3.000
 L5C  H061  C06  C07   118.75  3.000
 L5C  H061  C06  C05   119.82  3.000
 L5C  C07   C06  C05   121.43  3.000
 L5C  H071  C07  C06   119.40  3.000
 L5C  H071  C07  C02   121.24  3.000
 L5C  C06   C07  C02   119.35  3.000
 L5C  H082  C08  H081  107.76  3.000
 L5C  H082  C08  O09   110.64  3.000
 L5C  H081  C08  O09   110.39  3.000
 L5C  H082  C08  C04   110.70  3.000
 L5C  H081  C08  C04   110.02  3.000
 L5C  O09   C08  C04   107.35  3.000
 L5C  O09   C10  C15   124.76  3.000
 L5C  C15   C10  C11   118.72  3.000
 L5C  O09   C10  C11   116.52  3.000
 L5C  H121  C12  C13   121.04  3.000
 L5C  H121  C12  C11   118.78  3.000
 L5C  C13   C12  C11   120.18  3.000
 L5C  H161  N16  C17   116.90  3.000
 L5C  H161  N16  C13   114.47  3.000
 L5C  C17   N16  C13   128.25  3.000
 L5C  N22   N21  C20   105.51  3.000
 L5C  C24   N22  C23   127.55  3.000
 L5C  C23   N22  N21   112.58  3.000
 L5C  C24   N22  N21   119.87  3.000
 L5C  H231  C23  N22   122.13  3.000
 L5C  H231  C23  C19   131.01  3.000
 L5C  N22   C23  C19   106.86  3.000
 L5C  H242  C24  H243  109.15  3.000
 L5C  H242  C24  H241  109.32  3.000
 L5C  H243  C24  H241  109.08  3.000
 L5C  H242  C24  N22   110.16  3.000
 L5C  H243  C24  N22   108.97  3.000
 L5C  H241  C24  N22   110.14  3.000
 L5C  C27   C25  O26   121.80  3.000
 L5C  C27   C25  N01   113.18  3.000
 L5C  O26   C25  N01   125.02  3.000
 L5C  H272  C27  H271  107.32  3.000
 L5C  H272  C27  S28   110.41  3.000
 L5C  H271  C27  S28   110.73  3.000
 L5C  H272  C27  C25   110.35  3.000
 L5C  H271  C27  C25   110.64  3.000
 L5C  S28   C27  C25   107.42  3.000
 L5C  C29   S28  C27   101.26  3.000
 L5C  N34   C29  N30   127.22  3.000
 L5C  N30   C29  S28   112.65  3.000
 L5C  N34   C29  S28   120.13  3.000
 L5C  C31   N30  C29   116.67  3.000
 L5C  C36   C31  C32   121.99  3.000
 L5C  C36   C31  N30   117.27  3.000
 L5C  C32   C31  N30   120.73  3.000
 L5C  H321  C32  C33   121.08  3.000
 L5C  H321  C32  C31   120.94  3.000
 L5C  C33   C32  C31   117.98  3.000
 L5C  C35   C33  N34   117.13  3.000
 L5C  N34   C33  C32   120.79  3.000
 L5C  C35   C33  C32   122.08  3.000
 L5C  C33   N34  C29   116.60  3.000
 L5C  H351  C35  H352  108.42  3.000
 L5C  H351  C35  H353  108.68  3.000
 L5C  H352  C35  H353  107.14  3.000
 L5C  H351  C35  C33   111.66  3.000
 L5C  H352  C35  C33   110.27  3.000
 L5C  H353  C35  C33   110.53  3.000
 L5C  H361  C36  H362  108.69  3.000
 L5C  H361  C36  H363  107.19  3.000
 L5C  H362  C36  H363  108.44  3.000
 L5C  H361  C36  C31   110.39  3.000
 L5C  H362  C36  C31   111.76  3.000
 L5C  H363  C36  C31   110.22  3.000
 L5C  C10   O09  C08   118.33  3.000
 L5C  H011  N01  C25   116.09  3.000
 L5C  H011  N01  C02   114.72  3.000
 L5C  C25   N01  C02   129.18  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
 L5C  CONST_01  C14   C13  C12  C11     0.00   0.0  0
 L5C  CONST_02  C14   C15  C10  C11     0.00   0.0  0
 L5C  CONST_03  C10   C11  C12  C13     0.00   0.0  0
 L5C  CONST_04  C10   C15  C14  C13     0.00   0.0  0
 L5C  CONST_05  C12   C11  C10  C15     0.00   0.0  0
 L5C  CONST_06  C12   C13  C14  C15     0.00   0.0  0
 L5C  CONST_07  N22   N21  C20  C19     0.00   0.0  0
 L5C  CONST_08  N21   N22  C23  C19     0.00   0.0  0
 L5C  CONST_09  C23   N22  N21  C20     0.00   0.0  0
 L5C  CONST_10  N22   C23  C19  C20     0.00   0.0  0
 L5C  CONST_11  C05   C06  C07  C02     0.00   0.0  0
 L5C  CONST_12  C05   C04  C03  C02     0.00   0.0  0
 L5C  CONST_13  C06   C05  C04  C03     0.00   0.0  0
 L5C  CONST_14  C06   C07  C02  C03     0.00   0.0  0
 L5C  CONST_15  C07   C06  C05  C04     0.00   0.0  0
 L5C  CONST_16  C07   C02  C03  C04     0.00   0.0  0
 L5C  CONST_17  C23   C19  C20  N21     0.00   0.0  0
 L5C  CONST_18  C32   C33  N34  C29     0.00   0.0  0
 L5C  CONST_19  C32   C31  N30  C29     0.00   0.0  0
 L5C  CONST_20  C33   C32  C31  N30     0.00   0.0  0
 L5C  CONST_21  C33   N34  C29  N30     0.00   0.0  0
 L5C  CONST_22  N34   C33  C32  C31     0.00   0.0  0
 L5C  CONST_23  N34   C29  N30  C31     0.00   0.0  0
 L5C  CONST_24  N16   C13  C12  C11   180.00   0.0  0
 L5C  CONST_25  O09   C10  C15  C14   180.00   0.0  0
 L5C  CONST_26  N16   C13  C14  C15   180.00   0.0  0
 L5C  CONST_27  N21   C20  C19  C17   180.00   0.0  0
 L5C  CONST_28  N22   C23  C19  C17   180.00   0.0  0
 L5C  CONST_29  C24   N22  C23  C19   180.00   0.0  0
 L5C  CONST_30  C24   N22  N21  C20   180.00   0.0  0
 L5C  CONST_31  C06   C07  C02  N01   180.00   0.0  0
 L5C  CONST_32  C04   C03  C02  N01   180.00   0.0  0
 L5C  CONST_33  C08   C04  C03  C02   180.00   0.0  0
 L5C  CONST_34  C08   C04  C05  C06   180.00   0.0  0
 L5C  CONST_35  C12   C11  C10  O09   180.00   0.0  0
 L5C  CONST_36  C33   N34  C29  S28   180.00   0.0  0
 L5C  CONST_37  C31   N30  C29  S28   180.00   0.0  0
 L5C  CONST_38  C35   C33  N34  C29   180.00   0.0  0
 L5C  CONST_39  C36   C31  N30  C29   180.00   0.0  0
 L5C  CONST_40  C35   C33  C32  C31   180.00   0.0  0
 L5C  CONST_41  C36   C31  C32  C33   180.00   0.0  0
 L5C  CONST_42  H151  C15  C10  C11   180.00   0.0  0
 L5C  CONST_43  H111  C11  C12  C13   180.00   0.0  0
 L5C  CONST_44  H121  C12  C13  C14   180.00   0.0  0
 L5C  CONST_45  H231  C23  C19  C20   180.00   0.0  0
 L5C  CONST_46  H061  C06  C07  C02   180.00   0.0  0
 L5C  CONST_47  H051  C05  C04  C03   180.00   0.0  0
 L5C  CONST_48  H071  C07  C02  C03   180.00   0.0  0
 L5C  CONST_49  H031  C03  C04  C05   180.00   0.0  0
 L5C  CONST_50  H141  C14  C15  C10   180.00   0.0  0
 L5C  CONST_51  H201  C20  N21  N22   180.00   0.0  0
 L5C  CONST_52  H321  C32  C31  N30   180.00   0.0  0
 L5C  CONST_53  C19   C17  N16  C13   180.00   0.0  0
 L5C  CONST_56  C25   N01  C02  C03   180.00   0.0  0
 L5C  CONST_57  C25   N01  C02  C07     0.00   0.0  0
 L5C  CONST_58  H161  N16  C13  C14     0.00   0.0  0
 L5C  CONST_59  H011  N01  C02  C03     0.00   0.0  0
 L5C  CONST_60  O18   C17  N16  C13     0.00   0.0  0
 L5C  CONST_61  O26   C25  N01  C02     0.00   0.0  0
 L5C  CONST_62  C27   C25  N01  C02   180.00   0.0  0
 L5C  Var_01    N16   C17  C19  C20     3.38  30.0  2
 L5C  Var_02    O09   C08  C04  C03   101.95  30.0  2
 L5C  Var_03    N34   C29  S28  C27    -1.36  30.0  2
 L5C  Var_04    H241  C24  N22  N21    60.42  30.0  2
 L5C  Var_05    H363  C36  C31  N30    63.84  30.0  2
 L5C  Var_06    H353  C35  C33  C32   125.24  30.0  2
 L5C  Var_07    H271  C27  S28  C29    60.58  30.0  2
 L5C  Var_08    S28   C27  C25  N01  -178.91  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
 L5C  plan-1  C17   0.020
 L5C  plan-1  C19   0.020
 L5C  plan-1  C20   0.020
 L5C  plan-1  N21   0.020
 L5C  plan-1  N22   0.020
 L5C  plan-1  C23   0.020
 L5C  plan-1  C24   0.020
 L5C  plan-1  H201  0.020
 L5C  plan-1  H231  0.020
 L5C  plan-2  C02   0.020
 L5C  plan-2  C03   0.020
 L5C  plan-2  C04   0.020
 L5C  plan-2  C05   0.020
 L5C  plan-2  C06   0.020
 L5C  plan-2  C07   0.020
 L5C  plan-2  C08   0.020
 L5C  plan-2  H031  0.020
 L5C  plan-2  H051  0.020
 L5C  plan-2  H061  0.020
 L5C  plan-2  H071  0.020
 L5C  plan-2  N01   0.020
 L5C  plan-3  C11   0.020
 L5C  plan-3  C13   0.020
 L5C  plan-3  C14   0.020
 L5C  plan-3  C15   0.020
 L5C  plan-3  C10   0.020
 L5C  plan-3  C12   0.020
 L5C  plan-3  N16   0.020
 L5C  plan-3  H111  0.020
 L5C  plan-3  H141  0.020
 L5C  plan-3  H151  0.020
 L5C  plan-3  H121  0.020
 L5C  plan-3  O09   0.020
 L5C  plan-4  S28   0.020
 L5C  plan-4  C29   0.020
 L5C  plan-4  N30   0.020
 L5C  plan-4  C31   0.020
 L5C  plan-4  C32   0.020
 L5C  plan-4  C33   0.020
 L5C  plan-4  N34   0.020
 L5C  plan-4  C35   0.020
 L5C  plan-4  C36   0.020
 L5C  plan-4  H321  0.020
 L5C  plan-5  C13   0.020
 L5C  plan-5  C17   0.020
 L5C  plan-5  C19   0.020
 L5C  plan-5  N16   0.020
 L5C  plan-5  O18   0.020
 L5C  plan-5  H161  0.020
 L5C  plan-6  C02   0.020
 L5C  plan-6  C25   0.020
 L5C  plan-6  O26   0.020
 L5C  plan-6  C27   0.020
 L5C  plan-6  H011  0.020
 L5C  plan-6  N01   0.020

