# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version 1.18.1-3865-
#   - file written: Wed May 27 19:27:34 2020
#   Inital geometry file: a 160 line input string
#   Ligand name: 5-[4-({[4-(5-carboxyfuran-2-yl)-2-chlorobenzoyl]amino}methyl)phenyl]-1-(3,4-dichlorophenyl)-1H-pyrazole-3-carboxylic acid
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: OC(=O)c1oc(cc1)c2ccc(c(Cl)c2)C(=O)NCc3ccc(cc3)c4cc(nn4c5ccc(Cl)c(Cl)c5)C(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
 3HS  3HS  '5-[4-({[4-(5-carboxyfuran-2-yl)-2-chlorobenzoyl]amino}methyl)phenyl]-1-(3,4-dichlorophenyl)-1H-pyrazole-3-carboxylic acid'  ligand  57  41  .  2021-08-04  2021-08-04  
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as OK
;

data_comp_3HS
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
 3HS  C10   C   CR6    0  -0.008  -7.1568  -2.4093   0.7791
 3HS  C13   C   CR16   0  -0.262  -5.5586  -0.7518   1.4687
 3HS  C15   C   CR6    0   0.024  -2.8808   0.6336   0.4850
 3HS  C17   C   CR16   0  -0.291  -1.7647  -1.4493   0.0001
 3HS  C21   C   C      0   0.504   2.6051  -1.1967   1.6386
 3HS  C22   C   CR6    0   0.011   3.8020  -0.5686   0.9945
 3HS  C24   C   CR16   0  -0.305   4.7386   1.2074  -0.3549
 3HS  C26   C   CR5    0   0.394   7.1740   1.4005  -0.7188
 3HS  C28   C   CR15   0  -0.337   8.6762   2.6798  -1.7459
 3HS  O01   O   OC    -1  -0.597  -6.9194   4.9141  -0.6740
 3HS  C03   C   CR5    0   0.093  -5.2193   3.3610  -0.1965
 3HS  N04   N   N      0  -0.284  -6.0438   2.3337  -0.1258
 3HS  N05   N   NR5    0  -0.458  -5.2820   1.2740   0.1530
 3HS  C06   C   CR6    0   0.319  -5.9021   0.0285   0.3726
 3HS  C07   C   CR16   0  -0.239  -6.8784  -0.3985  -0.5154
 3HS  C08   C   CR6    0   0.006  -7.5083  -1.6141  -0.3067
 3HS  CL1   CL  CL     0  -0.088  -8.7184  -2.1313  -1.4155
 3HS  CL2   CL  CL     0  -0.090  -7.9259  -3.9246   1.0451
 3HS  C12   C   CR16   0  -0.212  -6.1807  -1.9720   1.6615
 3HS  C14   C   CR5    0   0.420  -3.9599   1.5974   0.2594
 3HS  C16   C   CR16   0  -0.264  -2.8113  -0.5666  -0.2192
 3HS  C18   C   CR6    0   0.121  -0.7649  -1.1568   0.9194
 3HS  C19   C   CH2    0  -0.388   0.3703  -2.1191   1.1563
 3HS  N20   N   NH1    0  -0.609   1.6487  -1.5625   0.7713
 3HS  C23   C   CR16   0  -0.258   3.6483   0.5624   0.1953
 3HS  C25   C   CR6    0  -0.003   6.0308   0.7259  -0.1340
 3HS  C27   C   CR15   0  -0.367   7.2927   2.5317  -1.4738
 3HS  C29   C   CR5    0   0.187   9.3078   1.6365  -1.1414
 3HS  C30   C   C      0   0.338  10.7558   1.2463  -1.0691
 3HS  O31   O   O      0  -0.590  11.5286   2.0028  -1.6844
 3HS  O32   O   OC    -1  -0.594  11.0268   0.2252  -0.4155
 3HS  O33   O   O      0  -0.432   8.3916   0.8630  -0.5186
 3HS  C34   C   CR16   0  -0.248   6.1952  -0.4161   0.6529
 3HS  C35   C   CR6    0  -0.067   5.0929  -1.0374   1.2114
 3HS  CL3   CL  CL     0  -0.114   5.3575  -2.4645   2.1552
 3HS  O37   O   O      0  -0.473   2.5294  -1.3319   2.8490
 3HS  C38   C   CR16   0  -0.279  -0.8271   0.0499   1.6129
 3HS  C39   C   CR16   0  -0.276  -1.8714   0.9334   1.4013
 3HS  C40   C   CR15   0  -0.560  -3.8931   2.9515   0.0428
 3HS  O41   O   O      0  -0.593  -4.8057   5.6284  -0.5265
 3HS  H131  H   HCR6   0   0.293  -4.8198  -0.4137   2.1815
 3HS  H171  H   HCR6   0   0.259  -1.7254  -2.3751  -0.5614
 3HS  H241  H   HCR6   0   0.262   4.5782   2.0890  -0.9607
 3HS  H281  H   HCR5   0   0.262   9.1459   3.4642  -2.3158
 3HS  H071  H   HCR6   0   0.301  -7.1479   0.2107  -1.3670
 3HS  H121  H   HCR6   0   0.296  -5.9147  -2.5821   2.5133
 3HS  H161  H   HCR6   0   0.260  -3.5642  -0.8123  -0.9570
 3HS  H191  H   HCH2   0   0.275   0.4233  -2.3933   2.2091
 3HS  H192  H   HCH2   0   0.275   0.2028  -3.0383   0.5932
 3HS  H201  H   HNH1   0   0.413   1.8219  -1.4440  -0.2145
 3HS  H231  H   HCR6   0   0.275   2.6561   0.9570   0.0148
 3HS  H271  H   HCR5   0   0.263   6.4949   3.1832  -1.7932
 3HS  H341  H   HCR6   0   0.281   7.1791  -0.8259   0.8340
 3HS  H381  H   HCR6   0   0.256  -0.0613   0.2961   2.3388
 3HS  H391  H   HCR6   0   0.258  -1.9147   1.8569   1.9648
 3HS  H401  H   HCR5   0   0.266  -3.0032   3.5579   0.0208
 3HS  C02   C   C      0   0.371  -5.6995   4.7613  -0.4942

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
 3HS  O31  C30   deloc     1.244  0.020  1.244
 3HS  O32  C30   deloc     1.242  0.020  1.242
 3HS  C30  C29   single    1.501  0.020  1.501
 3HS  C29  C28   aromatic  1.361  0.020  1.361
 3HS  C29  O33   aromatic  1.351  0.020  1.351
 3HS  C28  C27   aromatic  1.418  0.020  1.418
 3HS  O33  C26   aromatic  1.346  0.020  1.346
 3HS  C27  C26   aromatic  1.365  0.020  1.365
 3HS  CL1  C08   single    1.721  0.020  1.721
 3HS  C26  C25   single    1.450  0.020  1.450
 3HS  C25  C34   aromatic  1.397  0.020  1.397
 3HS  C25  C24   aromatic  1.397  0.020  1.397
 3HS  C34  C35   aromatic  1.383  0.020  1.383
 3HS  C08  C07   aromatic  1.385  0.020  1.385
 3HS  C08  C10   aromatic  1.391  0.020  1.391
 3HS  CL2  C10   single    1.720  0.020  1.720
 3HS  C07  C06   aromatic  1.387  0.020  1.387
 3HS  C24  C23   aromatic  1.381  0.020  1.381
 3HS  CL3  C35   single    1.731  0.020  1.731
 3HS  C35  C22   aromatic  1.390  0.020  1.390
 3HS  C10  C12   aromatic  1.387  0.020  1.387
 3HS  C23  C22   aromatic  1.393  0.020  1.393
 3HS  C22  C21   single    1.497  0.020  1.497
 3HS  C06  N05   single    1.409  0.020  1.409
 3HS  C06  C13   aromatic  1.389  0.020  1.389
 3HS  O41  C02   deloc     1.246  0.020  1.246
 3HS  N04  N05   aromatic  1.335  0.020  1.335
 3HS  N04  C03   aromatic  1.319  0.020  1.319
 3HS  C12  C13   aromatic  1.383  0.020  1.383
 3HS  N05  C14   aromatic  1.365  0.020  1.365
 3HS  O37  C21   double    1.220  0.020  1.220
 3HS  C02  C03   single    1.510  0.020  1.510
 3HS  C02  O01   deloc     1.242  0.020  1.242
 3HS  C21  N20   single    1.342  0.020  1.342
 3HS  C03  C40   aromatic  1.408  0.020  1.408
 3HS  C14  C40   aromatic  1.373  0.020  1.373
 3HS  C14  C15   single    1.464  0.020  1.464
 3HS  C16  C15   aromatic  1.393  0.020  1.393
 3HS  C16  C17   aromatic  1.387  0.020  1.387
 3HS  C15  C39   aromatic  1.396  0.020  1.396
 3HS  N20  C19   single    1.446  0.020  1.446
 3HS  C17  C18   aromatic  1.389  0.020  1.389
 3HS  C39  C38   aromatic  1.384  0.020  1.384
 3HS  C18  C38   aromatic  1.393  0.020  1.393
 3HS  C18  C19   single    1.507  0.020  1.507
 3HS  C13  H131  single    0.930  0.020  1.080
 3HS  C17  H171  single    0.930  0.020  1.080
 3HS  C24  H241  single    0.930  0.020  1.080
 3HS  C28  H281  single    0.930  0.020  1.080
 3HS  C07  H071  single    0.930  0.020  1.080
 3HS  C12  H121  single    0.930  0.020  1.080
 3HS  C16  H161  single    0.930  0.020  1.080
 3HS  C19  H191  single    0.970  0.020  1.090
 3HS  C19  H192  single    0.970  0.020  1.090
 3HS  N20  H201  single    0.860  0.020  1.020
 3HS  C23  H231  single    0.930  0.020  1.080
 3HS  C27  H271  single    0.930  0.020  1.080
 3HS  C34  H341  single    0.930  0.020  1.080
 3HS  C38  H381  single    0.930  0.020  1.080
 3HS  C39  H391  single    0.930  0.020  1.080
 3HS  C40  H401  single    0.930  0.020  1.080

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
 3HS  C12   C10  CL2   119.61  3.000
 3HS  C12   C10  C08   119.63  3.000
 3HS  CL2   C10  C08   120.76  3.000
 3HS  H131  C13  C12   119.44  3.000
 3HS  H131  C13  C06   120.92  3.000
 3HS  C12   C13  C06   119.64  3.000
 3HS  C39   C15  C16   118.73  3.000
 3HS  C39   C15  C14   119.52  3.000
 3HS  C16   C15  C14   121.73  3.000
 3HS  H171  C17  C18   119.78  3.000
 3HS  H171  C17  C16   119.30  3.000
 3HS  C18   C17  C16   120.92  3.000
 3HS  O37   C21  N20   124.52  3.000
 3HS  N20   C21  C22   113.95  3.000
 3HS  O37   C21  C22   121.52  3.000
 3HS  C35   C22  C23   117.75  3.000
 3HS  C23   C22  C21   119.94  3.000
 3HS  C35   C22  C21   122.25  3.000
 3HS  H241  C24  C25   120.45  3.000
 3HS  H241  C24  C23   119.13  3.000
 3HS  C25   C24  C23   120.43  3.000
 3HS  O33   C26  C27   109.54  3.000
 3HS  C27   C26  C25   132.60  3.000
 3HS  O33   C26  C25   117.86  3.000
 3HS  H281  C28  C29   126.20  3.000
 3HS  H281  C28  C27   127.09  3.000
 3HS  C29   C28  C27   106.71  3.000
 3HS  C40   C03  N04   110.67  3.000
 3HS  C40   C03  C02   127.05  3.000
 3HS  N04   C03  C02   122.28  3.000
 3HS  N05   N04  C03   105.83  3.000
 3HS  C14   N05  C06   128.58  3.000
 3HS  C14   N05  N04   112.40  3.000
 3HS  C06   N05  N04   118.91  3.000
 3HS  C07   C06  N05   118.83  3.000
 3HS  N05   C06  C13   120.74  3.000
 3HS  C07   C06  C13   120.43  3.000
 3HS  H071  C07  C08   119.99  3.000
 3HS  H071  C07  C06   120.41  3.000
 3HS  C08   C07  C06   119.59  3.000
 3HS  CL1   C08  C07   119.12  3.000
 3HS  C07   C08  C10   120.30  3.000
 3HS  CL1   C08  C10   120.58  3.000
 3HS  H121  C12  C13   119.81  3.000
 3HS  H121  C12  C10   119.78  3.000
 3HS  C13   C12  C10   120.40  3.000
 3HS  C40   C14  N05   105.57  3.000
 3HS  C40   C14  C15   129.62  3.000
 3HS  N05   C14  C15   124.73  3.000
 3HS  H161  C16  C17   119.23  3.000
 3HS  H161  C16  C15   120.36  3.000
 3HS  C17   C16  C15   120.41  3.000
 3HS  C38   C18  C19   120.57  3.000
 3HS  C19   C18  C17   120.78  3.000
 3HS  C38   C18  C17   118.66  3.000
 3HS  H192  C19  H191  107.11  3.000
 3HS  H192  C19  N20   108.82  3.000
 3HS  H191  C19  N20   108.13  3.000
 3HS  H192  C19  C18   109.95  3.000
 3HS  H191  C19  C18   110.45  3.000
 3HS  N20   C19  C18   112.22  3.000
 3HS  H201  N20  C19   117.22  3.000
 3HS  H201  N20  C21   118.53  3.000
 3HS  C19   N20  C21   124.25  3.000
 3HS  H231  C23  C24   119.13  3.000
 3HS  H231  C23  C22   119.50  3.000
 3HS  C24   C23  C22   121.36  3.000
 3HS  C34   C25  C26   120.98  3.000
 3HS  C34   C25  C24   118.68  3.000
 3HS  C26   C25  C24   120.34  3.000
 3HS  H271  C27  C28   127.01  3.000
 3HS  H271  C27  C26   126.88  3.000
 3HS  C28   C27  C26   106.11  3.000
 3HS  O33   C29  C30   118.88  3.000
 3HS  O33   C29  C28   109.20  3.000
 3HS  C30   C29  C28   131.92  3.000
 3HS  O32   C30  O31   128.64  3.000
 3HS  O32   C30  C29   116.70  3.000
 3HS  O31   C30  C29   114.66  3.000
 3HS  C29   O33  C26   108.44  3.000
 3HS  H341  C34  C35   119.17  3.000
 3HS  H341  C34  C25   120.76  3.000
 3HS  C35   C34  C25   120.07  3.000
 3HS  CL3   C35  C34   117.94  3.000
 3HS  CL3   C35  C22   120.32  3.000
 3HS  C34   C35  C22   121.70  3.000
 3HS  H381  C38  C39   119.38  3.000
 3HS  H381  C38  C18   119.91  3.000
 3HS  C39   C38  C18   120.70  3.000
 3HS  H391  C39  C38   119.67  3.000
 3HS  H391  C39  C15   119.73  3.000
 3HS  C38   C39  C15   120.59  3.000
 3HS  H401  C40  C14   126.77  3.000
 3HS  H401  C40  C03   127.64  3.000
 3HS  C14   C40  C03   105.53  3.000
 3HS  O41   C02  C03   114.99  3.000
 3HS  C03   C02  O01   117.05  3.000
 3HS  O41   C02  O01   127.96  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
 3HS  CONST_01  C06   C07  C08  C10     0.00   0.0  0
 3HS  CONST_02  C06   C13  C12  C10     0.00   0.0  0
 3HS  CONST_03  C08   C07  C06  C13     0.00   0.0  0
 3HS  CONST_06  C08   C10  C12  C13     0.00   0.0  0
 3HS  CONST_07  C06   N05  C14  C15     0.00   0.0  0
 3HS  CONST_08  N04   N05  C14  C15   180.00   0.0  0
 3HS  CONST_09  C03   C40  C14  C15   180.00   0.0  0
 3HS  CONST_10  C18   C17  C16  C15     0.00   0.0  0
 3HS  CONST_11  C18   C38  C39  C15     0.00   0.0  0
 3HS  CONST_12  C14   C15  C16  C17   180.00   0.0  0
 3HS  CONST_13  C39   C15  C16  C17     0.00   0.0  0
 3HS  CONST_14  C39   C38  C18  C17     0.00   0.0  0
 3HS  CONST_15  C25   C34  C35  C22     0.00   0.0  0
 3HS  CONST_16  C25   C24  C23  C22     0.00   0.0  0
 3HS  CONST_17  O33   C26  C25  C24   180.00   0.0  0
 3HS  CONST_18  C27   C26  C25  C24     0.00   0.0  0
 3HS  CONST_19  C35   C34  C25  C24     0.00   0.0  0
 3HS  CONST_20  C35   C22  C23  C24     0.00   0.0  0
 3HS  CONST_21  C28   C29  O33  C26     0.00   0.0  0
 3HS  CONST_22  C29   C28  C27  C26     0.00   0.0  0
 3HS  CONST_23  C35   C34  C25  C26   180.00   0.0  0
 3HS  CONST_24  C23   C24  C25  C26   180.00   0.0  0
 3HS  CONST_25  O33   C26  C27  C28     0.00   0.0  0
 3HS  CONST_26  C25   C26  C27  C28   180.00   0.0  0
 3HS  CONST_27  C06   N05  N04  C03   180.00   0.0  0
 3HS  CONST_28  C14   N05  N04  C03     0.00   0.0  0
 3HS  CONST_29  N05   C14  C40  C03     0.00   0.0  0
 3HS  CONST_31  C40   C14  N05  N04     0.00   0.0  0
 3HS  CONST_32  C14   C40  C03  N04     0.00   0.0  0
 3HS  CONST_33  C08   C07  C06  N05   180.00   0.0  0
 3HS  CONST_34  C12   C13  C06  N05   180.00   0.0  0
 3HS  CONST_35  C40   C03  N04  N05     0.00   0.0  0
 3HS  CONST_38  C40   C14  N05  C06   180.00   0.0  0
 3HS  CONST_39  C12   C10  C08  C07     0.00   0.0  0
 3HS  CONST_41  C12   C13  C06  C07     0.00   0.0  0
 3HS  CONST_42  C38   C39  C15  C14   180.00   0.0  0
 3HS  CONST_44  C38   C39  C15  C16     0.00   0.0  0
 3HS  CONST_45  C38   C18  C17  C16     0.00   0.0  0
 3HS  CONST_46  C34   C25  C24  C23     0.00   0.0  0
 3HS  CONST_47  C34   C35  C22  C23     0.00   0.0  0
 3HS  CONST_48  C29   O33  C26  C25   180.00   0.0  0
 3HS  CONST_49  O33   C29  C28  C27     0.00   0.0  0
 3HS  CONST_50  C29   O33  C26  C27     0.00   0.0  0
 3HS  CONST_51  C34   C25  C26  C27   180.00   0.0  0
 3HS  CONST_52  C34   C25  C26  O33     0.00   0.0  0
 3HS  CONST_54  CL2   C10  C12  C13   180.00   0.0  0
 3HS  CONST_55  C34   C35  C22  C21   180.00   0.0  0
 3HS  CONST_56  C24   C23  C22  C21   180.00   0.0  0
 3HS  CONST_57  C30   C29  O33  C26   180.00   0.0  0
 3HS  CONST_58  N05   N04  C03  C02   180.00   0.0  0
 3HS  CONST_59  C14   C40  C03  C02   180.00   0.0  0
 3HS  CONST_60  CL1   C08  C07  C06   180.00   0.0  0
 3HS  CONST_61  CL2   C10  C08  C07   180.00   0.0  0
 3HS  CONST_62  C12   C10  C08  CL1   180.00   0.0  0
 3HS  CONST_63  C19   C18  C17  C16   180.00   0.0  0
 3HS  CONST_64  C39   C38  C18  C19   180.00   0.0  0
 3HS  CONST_65  CL3   C35  C22  C23   180.00   0.0  0
 3HS  CONST_66  CL3   C35  C34  C25   180.00   0.0  0
 3HS  CONST_67  C30   C29  C28  C27   180.00   0.0  0
 3HS  CONST_68  H071  C07  C08  C10   180.00   0.0  0
 3HS  CONST_69  H131  C13  C12  C10   180.00   0.0  0
 3HS  CONST_70  H401  C40  C14  C15     0.00   0.0  0
 3HS  CONST_71  H171  C17  C16  C15   180.00   0.0  0
 3HS  CONST_72  H381  C38  C39  C15   180.00   0.0  0
 3HS  CONST_73  H341  C34  C35  C22   180.00   0.0  0
 3HS  CONST_74  H241  C24  C23  C22   180.00   0.0  0
 3HS  CONST_75  H281  C28  C27  C26   180.00   0.0  0
 3HS  CONST_76  H121  C12  C13  C06   180.00   0.0  0
 3HS  CONST_77  H161  C16  C15  C14     0.00   0.0  0
 3HS  CONST_78  H391  C39  C15  C14     0.00   0.0  0
 3HS  CONST_79  H271  C27  C26  C25     0.00   0.0  0
 3HS  CONST_80  H231  C23  C24  C25   180.00   0.0  0
 3HS  CONST_81  C19   N20  C21  C22   180.00   0.0  0
 3HS  CONST_82  H201  N20  C21  C22     0.00   0.0  0
 3HS  CONST_83  O37   C21  N20  C19     0.00   0.0  0
 3HS  Var_01    N20   C19  C18  C17   115.90  30.0  2
 3HS  Var_02    O31   C30  C29  C28    -0.88  30.0  2
 3HS  Var_03    N04   C03  C02  O01    -0.04  30.0  2
 3HS  Var_04    C35   C22  C21  N20  -125.97  30.0  2
 3HS  Var_05    C18   C19  N20  C21   109.19  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
 3HS  plan-1  C15   0.020
 3HS  plan-1  C03   0.020
 3HS  plan-1  N04   0.020
 3HS  plan-1  N05   0.020
 3HS  plan-1  C06   0.020
 3HS  plan-1  C14   0.020
 3HS  plan-1  C40   0.020
 3HS  plan-1  H401  0.020
 3HS  plan-1  C02   0.020
 3HS  plan-2  C26   0.020
 3HS  plan-2  C28   0.020
 3HS  plan-2  C25   0.020
 3HS  plan-2  C27   0.020
 3HS  plan-2  C29   0.020
 3HS  plan-2  C30   0.020
 3HS  plan-2  O33   0.020
 3HS  plan-2  H281  0.020
 3HS  plan-2  H271  0.020
 3HS  plan-3  C10   0.020
 3HS  plan-3  C13   0.020
 3HS  plan-3  N05   0.020
 3HS  plan-3  C06   0.020
 3HS  plan-3  C07   0.020
 3HS  plan-3  C08   0.020
 3HS  plan-3  CL1   0.020
 3HS  plan-3  CL2   0.020
 3HS  plan-3  C12   0.020
 3HS  plan-3  H131  0.020
 3HS  plan-3  H071  0.020
 3HS  plan-3  H121  0.020
 3HS  plan-4  C15   0.020
 3HS  plan-4  C17   0.020
 3HS  plan-4  C14   0.020
 3HS  plan-4  C16   0.020
 3HS  plan-4  C18   0.020
 3HS  plan-4  C19   0.020
 3HS  plan-4  C38   0.020
 3HS  plan-4  C39   0.020
 3HS  plan-4  H171  0.020
 3HS  plan-4  H161  0.020
 3HS  plan-4  H381  0.020
 3HS  plan-4  H391  0.020
 3HS  plan-5  C21   0.020
 3HS  plan-5  C22   0.020
 3HS  plan-5  C24   0.020
 3HS  plan-5  C26   0.020
 3HS  plan-5  C23   0.020
 3HS  plan-5  C25   0.020
 3HS  plan-5  C34   0.020
 3HS  plan-5  C35   0.020
 3HS  plan-5  CL3   0.020
 3HS  plan-5  H241  0.020
 3HS  plan-5  H231  0.020
 3HS  plan-5  H341  0.020
 3HS  plan-6  C21   0.020
 3HS  plan-6  C22   0.020
 3HS  plan-6  C19   0.020
 3HS  plan-6  N20   0.020
 3HS  plan-6  O37   0.020
 3HS  plan-6  H201  0.020
 3HS  plan-7  C29   0.020
 3HS  plan-7  C30   0.020
 3HS  plan-7  O31   0.020
 3HS  plan-7  O32   0.020
 3HS  plan-8  O01   0.020
 3HS  plan-8  C03   0.020
 3HS  plan-8  O41   0.020
 3HS  plan-8  C02   0.020

