# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Mon Aug  1 08:27:45 2022
#   Inital geometry file: a 136 line input string
#   Ligand name: 4-[2-[1-(4-bromophenyl)-5-phenyl-pyrazol-3-yl]phenoxy]butanoic acid
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: OC(=O)CCCOc1ccccc1c2cc(n(n2)c3ccc(Br)cc3)c4ccccc4
#
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
 JEC  JEC  "4-[2-[1-(4-bromophenyl)-5-phenyl-pyrazol-3-yl]phenoxy]butanoic acid"  ligand  51  31  .  2022-08-10  2022-09-22
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as PERFECT
;

data_comp_JEC
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
 JEC  C1   C   C      0   0.409   4.7689  -17.3376  -1.2167
 JEC  C2   C   CH2    0  -0.555   4.6654  -18.1158  -2.5437
 JEC  C3   C   CH2    0  -0.456   5.5586  -17.5751  -3.6551
 JEC  C4   C   CH2    0  -0.186   5.6233  -18.4613  -4.8829
 JEC  C23  C   CR6    0  -0.114   6.5768  -25.9540   1.2720
 JEC  C22  C   CR16   0  -0.226   7.2092  -26.2518   0.0735
 JEC  C21  C   CR16   0  -0.270   7.4868  -25.2300  -0.8199
 JEC  C24  C   CR16   0  -0.223   6.2154  -24.6520   1.5841
 JEC  C25  C   CR16   0  -0.263   6.4815  -23.6362   0.6793
 JEC  C20  C   CR6    0   0.316   7.1215  -23.9245  -0.5186
 JEC  N1   N   NR5    0  -0.458   7.3721  -22.9055  -1.4610
 JEC  N2   N   N      0  -0.298   7.0158  -23.1161  -2.7308
 JEC  C13  C   CR5    0   0.420   7.8179  -21.6347  -1.2564
 JEC  C14  C   C      0   0.037   8.3220  -21.0991   0.0095
 JEC  C19  C   C1     0  -0.305   7.9537  -19.8080   0.3890
 JEC  C18  C   C1     0  -0.244   8.4462  -19.2555   1.5622
 JEC  C17  C   C1     0  -0.257   9.3038  -19.9872   2.3728
 JEC  C16  C   C1     0  -0.239   9.6780  -21.2713   1.9971
 JEC  C15  C   C1     0  -0.284   9.1941  -21.8247   0.8218
 JEC  C12  C   CR15   0  -0.566   7.7328  -21.0057  -2.4734
 JEC  C11  C   CR5    0   0.285   7.2250  -21.9754  -3.3636
 JEC  C6   C   CR6    0  -0.063   6.9384  -21.8723  -4.7991
 JEC  C7   C   CR16   0  -0.281   7.1404  -22.9630  -5.6387
 JEC  C8   C   CR16   0  -0.272   6.8373  -22.8993  -6.9916
 JEC  C9   C   CR16   0  -0.245   6.3193  -21.7254  -7.5156
 JEC  C10  C   CR16   0  -0.379   6.1016  -20.6214  -6.7008
 JEC  C5   C   CR6    0   0.366   6.4098  -20.6884  -5.3446
 JEC  O3   O   O2     0  -0.466   6.2254  -19.6818  -4.4821
 JEC  O2   O   O      0  -0.611   5.9194  -17.0043  -0.8544
 JEC  O1   O   OC    -1  -0.606   3.7102  -17.1316  -0.5931
 JEC  H1   H   HCH2   0   0.201   3.6270  -18.1438  -2.8846
 JEC  H2   H   HCH2   0   0.223   4.9424  -19.1541  -2.3297
 JEC  H3   H   HCH2   0   0.224   6.5711  -17.4205  -3.2769
 JEC  H4   H   HCH2   0   0.225   5.1983  -16.5945  -3.9786
 JEC  H5   H   HCH2   0   0.230   6.2196  -17.9834  -5.6681
 JEC  H6   H   HCH2   0   0.216   4.6222  -18.6464  -5.2907
 JEC  H7   H   HCR6   0   0.286   7.4934  -27.2660  -0.1722
 JEC  H8   H   HCR6   0   0.282   7.9855  -25.4548  -1.7530
 JEC  H9   H   HCR6   0   0.287   5.7122  -24.4180   2.5124
 JEC  H10  H   HCR6   0   0.292   6.1714  -22.6264   0.9107
 JEC  H11  H   H      0   0.258   7.2781  -19.2320  -0.2327
 JEC  H12  H   H      0   0.257   8.1536  -18.2523   1.8438
 JEC  H13  H   H      0   0.259   9.6841  -19.5571   3.2901
 JEC  H14  H   H      0   0.259  10.3556  -21.8427   2.6179
 JEC  H15  H   H      0   0.261   9.5113  -22.8183   0.5315
 JEC  H16  H   HCR5   0   0.271   8.0416  -19.9973  -2.6869
 JEC  H17  H   HCR6   0   0.249   7.5499  -23.8744  -5.2219
 JEC  H18  H   HCR6   0   0.251   7.0087  -23.7571  -7.6279
 JEC  H19  H   HCR6   0   0.257   6.0792  -21.6583  -8.5689
 JEC  H20  H   HCR6   0   0.278   5.6887  -19.7182  -7.1301
 JEC  BR   BR  BR     0  -0.037   6.1872  -27.3436   2.4869

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
 JEC  C9   C10  aromatic  1.389  0.020  1.389
 JEC  C9   C8   aromatic  1.386  0.020  1.386
 JEC  C10  C5   aromatic  1.392  0.020  1.392
 JEC  C8   C7   aromatic  1.388  0.020  1.388
 JEC  C5   O3   single    1.338  0.020  1.338
 JEC  C5   C6   aromatic  1.407  0.020  1.407
 JEC  C7   C6   aromatic  1.391  0.020  1.391
 JEC  C4   O3   single    1.419  0.020  1.419
 JEC  C4   C3   single    1.516  0.020  1.516
 JEC  C6   C11  single    1.468  0.020  1.468
 JEC  C3   C2   single    1.525  0.020  1.525
 JEC  C11  N2   aromatic  1.321  0.020  1.321
 JEC  C11  C12  aromatic  1.411  0.020  1.411
 JEC  C2   C1   single    1.542  0.020  1.542
 JEC  N2   N1   aromatic  1.336  0.020  1.336
 JEC  C12  C13  aromatic  1.373  0.020  1.373
 JEC  C1   O2   deloc     1.251  0.020  1.251
 JEC  C1   O1   deloc     1.246  0.020  1.246
 JEC  N1   C13  aromatic  1.362  0.020  1.362
 JEC  N1   C20  single    1.410  0.020  1.410
 JEC  C13  C14  single    1.464  0.020  1.464
 JEC  C21  C20  aromatic  1.389  0.020  1.389
 JEC  C21  C22  aromatic  1.385  0.020  1.385
 JEC  C20  C25  aromatic  1.388  0.020  1.388
 JEC  C22  C23  aromatic  1.388  0.020  1.388
 JEC  C15  C14  aromatic  1.395  0.020  1.395
 JEC  C15  C16  aromatic  1.386  0.020  1.386
 JEC  C14  C19  aromatic  1.395  0.020  1.395
 JEC  C25  C24  aromatic  1.386  0.020  1.386
 JEC  C16  C17  aromatic  1.389  0.020  1.389
 JEC  C23  C24  aromatic  1.387  0.020  1.387
 JEC  C23  BR   single    1.886  0.020  1.886
 JEC  C19  C18  aromatic  1.387  0.020  1.387
 JEC  C17  C18  aromatic  1.388  0.020  1.388
 JEC  C2   H1   single    0.970  0.020  1.090
 JEC  C2   H2   single    0.970  0.020  1.090
 JEC  C3   H3   single    0.970  0.020  1.090
 JEC  C3   H4   single    0.970  0.020  1.090
 JEC  C4   H5   single    0.970  0.020  1.090
 JEC  C4   H6   single    0.970  0.020  1.090
 JEC  C22  H7   single    0.930  0.020  1.080
 JEC  C21  H8   single    0.930  0.020  1.080
 JEC  C24  H9   single    0.930  0.020  1.080
 JEC  C25  H10  single    0.930  0.020  1.080
 JEC  C19  H11  single    0.930  0.020  1.080
 JEC  C18  H12  single    0.930  0.020  1.080
 JEC  C17  H13  single    0.930  0.020  1.080
 JEC  C16  H14  single    0.930  0.020  1.080
 JEC  C15  H15  single    0.930  0.020  1.080
 JEC  C12  H16  single    0.930  0.020  1.080
 JEC  C7   H17  single    0.930  0.020  1.080
 JEC  C8   H18  single    0.930  0.020  1.080
 JEC  C9   H19  single    0.930  0.020  1.080
 JEC  C10  H20  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
 JEC  O1   C1   O2   126.32  3.000
 JEC  O1   C1   C2   117.21  3.000
 JEC  O2   C1   C2   116.44  3.000
 JEC  H2   C2   H1   106.07  3.000
 JEC  H2   C2   C3   109.28  3.000
 JEC  H1   C2   C3   109.76  3.000
 JEC  H2   C2   C1   107.05  3.000
 JEC  H1   C2   C1   110.19  3.000
 JEC  C3   C2   C1   114.14  3.000
 JEC  H4   C3   H3   106.32  3.000
 JEC  H4   C3   C4   107.38  3.000
 JEC  H3   C3   C4   108.90  3.000
 JEC  H4   C3   C2   109.91  3.000
 JEC  H3   C3   C2   109.93  3.000
 JEC  C4   C3   C2   114.09  3.000
 JEC  H6   C4   H5   107.69  3.000
 JEC  H6   C4   O3   110.32  3.000
 JEC  H5   C4   O3   110.29  3.000
 JEC  H6   C4   C3   111.16  3.000
 JEC  H5   C4   C3   110.41  3.000
 JEC  O3   C4   C3   107.00  3.000
 JEC  C24  C23  C22  120.97  3.000
 JEC  C24  C23  BR   119.53  3.000
 JEC  C22  C23  BR   119.50  3.000
 JEC  H7   C22  C21  119.51  3.000
 JEC  H7   C22  C23  121.15  3.000
 JEC  C21  C22  C23  119.35  3.000
 JEC  H8   C21  C20  120.25  3.000
 JEC  H8   C21  C22  119.70  3.000
 JEC  C20  C21  C22  120.05  3.000
 JEC  H9   C24  C25  119.41  3.000
 JEC  H9   C24  C23  121.16  3.000
 JEC  C25  C24  C23  119.41  3.000
 JEC  H10  C25  C20  120.71  3.000
 JEC  H10  C25  C24  119.31  3.000
 JEC  C20  C25  C24  119.97  3.000
 JEC  N1   C20  C25  120.56  3.000
 JEC  C25  C20  C21  120.24  3.000
 JEC  N1   C20  C21  119.18  3.000
 JEC  C13  N1   N2   112.16  3.000
 JEC  C13  N1   C20  129.18  3.000
 JEC  N2   N1   C20  118.29  3.000
 JEC  C11  N2   N1   106.08  3.000
 JEC  C12  C13  C14  128.34  3.000
 JEC  C14  C13  N1   125.72  3.000
 JEC  C12  C13  N1   105.90  3.000
 JEC  C15  C14  C19  119.20  3.000
 JEC  C19  C14  C13  118.87  3.000
 JEC  C15  C14  C13  121.89  3.000
 JEC  H11  C19  C18  119.65  3.000
 JEC  H11  C19  C14  120.02  3.000
 JEC  C18  C19  C14  120.32  3.000
 JEC  H12  C18  C17  120.23  3.000
 JEC  H12  C18  C19  119.55  3.000
 JEC  C17  C18  C19  120.21  3.000
 JEC  H13  C17  C16  120.13  3.000
 JEC  H13  C17  C18  120.16  3.000
 JEC  C16  C17  C18  119.71  3.000
 JEC  H14  C16  C15  119.61  3.000
 JEC  H14  C16  C17  120.11  3.000
 JEC  C15  C16  C17  120.28  3.000
 JEC  H15  C15  C16  119.43  3.000
 JEC  H15  C15  C14  120.29  3.000
 JEC  C16  C15  C14  120.27  3.000
 JEC  H16  C12  C11  128.48  3.000
 JEC  H16  C12  C13  125.98  3.000
 JEC  C11  C12  C13  105.47  3.000
 JEC  C6   C11  C12  129.73  3.000
 JEC  C12  C11  N2   110.38  3.000
 JEC  C6   C11  N2   119.88  3.000
 JEC  C5   C6   C7   118.71  3.000
 JEC  C7   C6   C11  120.46  3.000
 JEC  C5   C6   C11  120.79  3.000
 JEC  H17  C7   C8   119.77  3.000
 JEC  H17  C7   C6   118.86  3.000
 JEC  C8   C7   C6   121.37  3.000
 JEC  H18  C8   C9   120.56  3.000
 JEC  H18  C8   C7   120.16  3.000
 JEC  C9   C8   C7   119.28  3.000
 JEC  H19  C9   C10  119.12  3.000
 JEC  H19  C9   C8   120.22  3.000
 JEC  C10  C9   C8   120.66  3.000
 JEC  H20  C10  C5   120.74  3.000
 JEC  H20  C10  C9   119.37  3.000
 JEC  C5   C10  C9   119.89  3.000
 JEC  O3   C5   C10  124.12  3.000
 JEC  O3   C5   C6   115.78  3.000
 JEC  C10  C5   C6   120.10  3.000
 JEC  C5   O3   C4   121.57  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
 JEC  CONST_01  C20  C21  C22  C23     0.00   0.0  0
 JEC  CONST_02  C20  C25  C24  C23     0.00   0.0  0
 JEC  CONST_03  N1   C20  C21  C22   180.00   0.0  0
 JEC  CONST_04  C25  C20  C21  C22     0.00   0.0  0
 JEC  CONST_05  C25  C24  C23  C22     0.00   0.0  0
 JEC  CONST_08  C24  C25  C20  C21     0.00   0.0  0
 JEC  CONST_09  C24  C23  C22  C21     0.00   0.0  0
 JEC  CONST_10  N1   C20  C25  C24   180.00   0.0  0
 JEC  CONST_13  C11  N2   N1   C20   180.00   0.0  0
 JEC  CONST_14  C12  C13  N1   C20   180.00   0.0  0
 JEC  CONST_15  C14  C13  N1   C20     0.00   0.0  0
 JEC  CONST_16  C6   C11  N2   N1    180.00   0.0  0
 JEC  CONST_17  C12  C11  N2   N1      0.00   0.0  0
 JEC  CONST_18  C11  C12  C13  N1      0.00   0.0  0
 JEC  CONST_23  C13  C12  C11  N2      0.00   0.0  0
 JEC  CONST_24  C12  C13  N1   N2      0.00   0.0  0
 JEC  CONST_25  C14  C13  N1   N2    180.00   0.0  0
 JEC  CONST_26  C6   C11  C12  C13   180.00   0.0  0
 JEC  CONST_27  C11  N2   N1   C13     0.00   0.0  0
 JEC  CONST_28  C16  C15  C14  C13   180.00   0.0  0
 JEC  CONST_29  C18  C19  C14  C13   180.00   0.0  0
 JEC  CONST_30  C11  C12  C13  C14   180.00   0.0  0
 JEC  CONST_31  C17  C16  C15  C14     0.00   0.0  0
 JEC  CONST_32  C17  C18  C19  C14     0.00   0.0  0
 JEC  CONST_34  C16  C15  C14  C19     0.00   0.0  0
 JEC  CONST_35  C16  C17  C18  C19     0.00   0.0  0
 JEC  CONST_36  C15  C14  C19  C18     0.00   0.0  0
 JEC  CONST_37  C15  C16  C17  C18     0.00   0.0  0
 JEC  CONST_41  C10  C5   C6   C11   180.00   0.0  0
 JEC  CONST_42  C8   C7   C6   C11   180.00   0.0  0
 JEC  CONST_43  C9   C10  C5   C6      0.00   0.0  0
 JEC  CONST_44  C9   C8   C7   C6      0.00   0.0  0
 JEC  CONST_45  C10  C9   C8   C7      0.00   0.0  0
 JEC  CONST_46  C10  C5   C6   C7      0.00   0.0  0
 JEC  CONST_47  C5   C10  C9   C8      0.00   0.0  0
 JEC  CONST_48  C5   C6   C7   C8      0.00   0.0  0
 JEC  CONST_49  C21  C22  C23  BR    180.00   0.0  0
 JEC  CONST_50  C25  C24  C23  BR    180.00   0.0  0
 JEC  CONST_51  O3   C5   C6   C11     0.00   0.0  0
 JEC  CONST_52  O3   C5   C6   C7    180.00   0.0  0
 JEC  CONST_53  O3   C5   C10  C9    180.00   0.0  0
 JEC  CONST_54  H8   C21  C22  C23   180.00   0.0  0
 JEC  CONST_55  H10  C25  C24  C23   180.00   0.0  0
 JEC  CONST_56  H9   C24  C23  C22   180.00   0.0  0
 JEC  CONST_57  H10  C25  C20  C21   180.00   0.0  0
 JEC  CONST_58  H7   C22  C23  C24   180.00   0.0  0
 JEC  CONST_59  H8   C21  C20  C25   180.00   0.0  0
 JEC  CONST_60  H7   C22  C21  C20   180.00   0.0  0
 JEC  CONST_61  H9   C24  C25  C20   180.00   0.0  0
 JEC  CONST_62  H16  C12  C13  N1    180.00   0.0  0
 JEC  CONST_63  H8   C21  C20  N1      0.00   0.0  0
 JEC  CONST_64  H10  C25  C20  N1      0.00   0.0  0
 JEC  CONST_65  H16  C12  C11  N2    180.00   0.0  0
 JEC  CONST_66  H15  C15  C14  C13     0.00   0.0  0
 JEC  CONST_67  H11  C19  C14  C13     0.00   0.0  0
 JEC  CONST_68  H16  C12  C13  C14     0.00   0.0  0
 JEC  CONST_69  H14  C16  C15  C14   180.00   0.0  0
 JEC  CONST_70  H12  C18  C19  C14   180.00   0.0  0
 JEC  CONST_71  H15  C15  C14  C19   180.00   0.0  0
 JEC  CONST_72  H13  C17  C18  C19   180.00   0.0  0
 JEC  CONST_73  H14  C16  C17  C18   180.00   0.0  0
 JEC  CONST_74  H15  C15  C16  C17   180.00   0.0  0
 JEC  CONST_75  H11  C19  C18  C17   180.00   0.0  0
 JEC  CONST_76  H12  C18  C17  C16   180.00   0.0  0
 JEC  CONST_77  H11  C19  C14  C15   180.00   0.0  0
 JEC  CONST_78  H13  C17  C16  C15   180.00   0.0  0
 JEC  CONST_79  H17  C7   C6   C11     0.00   0.0  0
 JEC  CONST_80  H20  C10  C5   C6    180.00   0.0  0
 JEC  CONST_81  H18  C8   C7   C6    180.00   0.0  0
 JEC  CONST_82  H16  C12  C11  C6      0.00   0.0  0
 JEC  CONST_83  H19  C9   C8   C7    180.00   0.0  0
 JEC  CONST_84  H20  C10  C9   C8    180.00   0.0  0
 JEC  CONST_85  H17  C7   C8   C9    180.00   0.0  0
 JEC  CONST_86  H18  C8   C9   C10   180.00   0.0  0
 JEC  CONST_87  H19  C9   C10  C5    180.00   0.0  0
 JEC  CONST_88  H17  C7   C6   C5    180.00   0.0  0
 JEC  Var_01    C10  C5   O3   C4      3.31  30.0  2
 JEC  Var_02    C6   C5   O3   C4   -176.07  30.0  2
 JEC  Var_03    C5   O3   C4   C3    179.12  30.0  3
 JEC  Var_04    H5   C4   O3   C5    -60.77  30.0  3
 JEC  Var_05    H6   C4   O3   C5     58.07  30.0  3
 JEC  Var_06    C4   C3   C2   C1    170.89  30.0  1
 JEC  Var_07    O3   C4   C3   C2    -64.08  30.0  2
 JEC  Var_08    O2   C1   C2   C3    -42.32  30.0  3
 JEC  Var_09    O1   C1   C2   C3    139.48  30.0  3
 JEC  Var_10    H3   C3   C2   C1     48.24  30.0  1
 JEC  Var_11    H4   C3   C2   C1    -68.45  30.0  1
 JEC  Var_12    H5   C4   C3   C2    175.88  30.0  2
 JEC  Var_13    H6   C4   C3   C2     56.43  30.0  2
 JEC  Var_14    H1   C2   C3   C4    -64.86  30.0  3
 JEC  Var_15    H2   C2   C3   C4     51.07  30.0  3
 JEC  Var_16    H3   C3   C4   O3     59.13  30.0  3
 JEC  Var_17    H4   C3   C4   O3    173.86  30.0  3
 JEC  Var_18    H1   C2   C1   O2   -166.35  30.0  3
 JEC  Var_19    H2   C2   C1   O2     78.74  30.0  3
 JEC  Var_20    H1   C2   C1   O1     15.45  30.0  3
 JEC  Var_21    H2   C2   C1   O1    -99.46  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
 JEC  plan-1  C20  0.020
 JEC  plan-1  N1   0.020
 JEC  plan-1  N2   0.020
 JEC  plan-1  C13  0.020
 JEC  plan-1  C14  0.020
 JEC  plan-1  C12  0.020
 JEC  plan-1  C11  0.020
 JEC  plan-1  C6   0.020
 JEC  plan-1  H16  0.020
 JEC  plan-2  C23  0.020
 JEC  plan-2  C22  0.020
 JEC  plan-2  C21  0.020
 JEC  plan-2  C24  0.020
 JEC  plan-2  C25  0.020
 JEC  plan-2  C20  0.020
 JEC  plan-2  N1   0.020
 JEC  plan-2  H7   0.020
 JEC  plan-2  H8   0.020
 JEC  plan-2  H9   0.020
 JEC  plan-2  H10  0.020
 JEC  plan-2  BR   0.020
 JEC  plan-3  C13  0.020
 JEC  plan-3  C14  0.020
 JEC  plan-3  C19  0.020
 JEC  plan-3  C18  0.020
 JEC  plan-3  C17  0.020
 JEC  plan-3  C16  0.020
 JEC  plan-3  C15  0.020
 JEC  plan-3  H11  0.020
 JEC  plan-3  H12  0.020
 JEC  plan-3  H13  0.020
 JEC  plan-3  H14  0.020
 JEC  plan-3  H15  0.020
 JEC  plan-4  C11  0.020
 JEC  plan-4  C6   0.020
 JEC  plan-4  C7   0.020
 JEC  plan-4  C8   0.020
 JEC  plan-4  C9   0.020
 JEC  plan-4  C10  0.020
 JEC  plan-4  C5   0.020
 JEC  plan-4  O3   0.020
 JEC  plan-4  H17  0.020
 JEC  plan-4  H18  0.020
 JEC  plan-4  H19  0.020
 JEC  plan-4  H20  0.020
 JEC  plan-5  C1   0.020
 JEC  plan-5  C2   0.020
 JEC  plan-5  O2   0.020
 JEC  plan-5  O1   0.020

