# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Sun May 10 23:57:57 2020
#   Inital geometry file: a 147 line input string
#   Ligand name: (2S)-2-[(1,3-benzothiazole-2-carbonyl)amino]-4-{[5-(1,8-naphthyridin-2-yl)pentanoyl]amino}butanoic acid
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: OC(=O)[C@H](CCNC(=O)CCCCc1ccc2cccnc2n1)NC(=O)c3sc4ccccc4n3
#
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
 JUY  JUY  '(2S)-2-[(1,3-benzothiazole-2-carbonyl)amino]-4-{[5-(1,8-naphthyridin-2-yl)pentanoyl]amino}butanoic acid'  ligand  60  35  .  2021-08-12  2021-08-12  
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as OK
;

data_comp_JUY
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
 JUY  C10  C  CH2   0  -0.588   2.2999   1.1836   0.7193
 JUY  C13  C  CH2   0  -0.505   5.4527  -1.0733   0.9699
 JUY  C15  C  CR16  0  -0.327   7.7026  -0.1842   1.6738
 JUY  C17  C  CR66  0  -0.032   9.5458  -0.3196   0.1590
 JUY  C20  C  CR16  0  -0.066  10.3492  -1.1539  -2.2971
 JUY  C22  C  CR66  0   0.312   8.6778  -0.9602  -0.7572
 JUY  C02  C  C     0   0.559  -4.2359   3.5833  -1.5175
 JUY  C04  C  CH1   0  -0.211  -3.5847   2.7406  -0.4266
 JUY  C05  C  CH2   0  -0.500  -2.0695   2.6427  -0.6129
 JUY  C06  C  CH2   0  -0.232  -1.4102   1.9331   0.5615
 JUY  C08  C  C     0   0.565   0.8180   0.9779   0.9589
 JUY  C11  C  CH2   0  -0.415   3.1323  -0.0652   0.9634
 JUY  C12  C  CH2   0  -0.426   4.6129   0.1792   0.7062
 JUY  C14  C  CR6   0   0.250   6.9065  -0.8327   0.6945
 JUY  C16  C  CR16  0  -0.184   9.0142   0.0698   1.4072
 JUY  C18  C  CR16  0  -0.187  10.8850  -0.1081  -0.2229
 JUY  C19  C  CR16  0  -0.328  11.2920  -0.5265  -1.4588
 JUY  C27  C  CR5   0  -0.079  -5.8317  -0.2101   0.0829
 JUY  C29  C  CR56  0   0.363  -5.9627  -2.3108  -0.5045
 JUY  C30  C  CR56  0  -0.245  -7.1300  -2.2307   0.2766
 JUY  C32  C  CR16  0  -0.275  -7.9577  -3.3345   0.4608
 JUY  C33  C  CR16  0  -0.258  -7.5961  -4.5189  -0.1520
 JUY  C34  C  CR16  0  -0.256  -6.4364  -4.6099  -0.9347
 JUY  C35  C  CR16  0  -0.304  -5.6151  -3.5174  -1.1169
 JUY  N07  N  NH1   0  -0.650   0.0229   1.8985   0.3838
 JUY  N21  N  N     0  -0.409   9.0996  -1.3669  -1.9729
 JUY  N23  N  N     0  -0.427   7.3812  -1.2023  -0.4688
 JUY  N24  N  NH1   0  -0.638  -4.1742   1.4305  -0.3926
 JUY  N28  N  N     0  -0.400  -5.2533  -1.1405  -0.5881
 JUY  O01  O  O     0  -0.424  -5.0462   3.1694  -2.3027
 JUY  O03  O  OH1   0  -0.588  -3.7987   4.8317  -1.4819
 JUY  O09  O  O     0  -0.501   0.3789   0.0554   1.6309
 JUY  O26  O  O     0  -0.460  -5.9906   1.9994   0.8503
 JUY  S31  S  S2    0   0.284  -7.3021  -0.6280   0.8989
 JUY  H1   H  HCH2  0   0.256   2.4603   1.5562  -0.2963
 JUY  H2   H  HCH2  0   0.271   2.6339   1.9880   1.3850
 JUY  H3   H  HCH2  0   0.246   5.3206  -1.3819   2.0106
 JUY  H4   H  HCH2  0   0.249   5.0992  -1.8911   0.3389
 JUY  H5   H  HCR6  0   0.270   7.2614   0.0986   2.6204
 JUY  H6   H  HCR6  0   0.271  10.6582  -1.4913  -3.2809
 JUY  H7   H  HCH1  0   0.305  -3.7858   3.2363   0.5280
 JUY  H8   H  HCH2  0   0.263  -1.8378   2.1227  -1.5469
 JUY  H9   H  HCH2  0   0.274  -1.6645   3.6519  -0.7006
 JUY  H10  H  HCH2  0   0.238  -1.6795   2.4425   1.4939
 JUY  H11  H  HCH2  0   0.246  -1.7701   0.9083   0.6439
 JUY  H12  H  HCH2  0   0.228   2.9944  -0.4050   1.9923
 JUY  H13  H  HCH2  0   0.227   2.7826  -0.8777   0.3200
 JUY  H14  H  HCH2  0   0.229   4.9661   0.9996   1.3393
 JUY  H15  H  HCH2  0   0.231   4.7630   0.5017  -0.3284
 JUY  H16  H  HCR6  0   0.275   9.6490   0.5604   2.1348
 JUY  H17  H  HCR6  0   0.278  11.5693   0.3792   0.4607
 JUY  H18  H  HCR6  0   0.276  12.3087  -0.3888  -1.7989
 JUY  H19  H  HCR6  0   0.280  -8.8535  -3.2707   1.0634
 JUY  H20  H  HCR6  0   0.271  -8.2207  -5.3929  -0.0244
 JUY  H21  H  HCR6  0   0.268  -6.1848  -5.5529  -1.4013
 JUY  H22  H  HCR6  0   0.272  -4.7183  -3.5789  -1.7190
 JUY  H23  H  HNH1  0   0.400   0.4581   2.6783  -0.0836
 JUY  H24  H  HNH1  0   0.417  -3.7795   0.7030  -0.9722
 JUY  H25  H  HOH1  0   0.489  -4.2128   5.3569  -2.1832
 JUY  C25  C  C     0   0.556  -5.3425   1.1878   0.2113

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
 JUY  O01  C02  double    1.202  0.020  1.202
 JUY  O03  C02  single    1.323  0.020  1.323
 JUY  C02  C04  single    1.525  0.020  1.525
 JUY  O09  C08  double    1.223  0.020  1.223
 JUY  C05  C04  single    1.530  0.020  1.530
 JUY  C05  C06  single    1.522  0.020  1.522
 JUY  N07  C08  single    1.346  0.020  1.346
 JUY  N07  C06  single    1.444  0.020  1.444
 JUY  C04  N24  single    1.437  0.020  1.437
 JUY  C08  C10  single    1.515  0.020  1.515
 JUY  N24  C25  single    1.337  0.020  1.337
 JUY  C11  C10  single    1.520  0.020  1.520
 JUY  C11  C12  single    1.523  0.020  1.523
 JUY  N28  C29  aromatic  1.371  0.020  1.371
 JUY  N28  C27  aromatic  1.285  0.020  1.285
 JUY  C35  C29  aromatic  1.397  0.020  1.397
 JUY  C35  C34  aromatic  1.379  0.020  1.379
 JUY  C25  C27  single    1.487  0.020  1.487
 JUY  C25  O26  double    1.219  0.020  1.219
 JUY  C12  C13  single    1.531  0.020  1.531
 JUY  C20  N21  aromatic  1.308  0.020  1.308
 JUY  C20  C19  aromatic  1.409  0.020  1.409
 JUY  N21  C22  aromatic  1.350  0.020  1.350
 JUY  C29  C30  aromatic  1.407  0.020  1.407
 JUY  C19  C18  aromatic  1.367  0.020  1.367
 JUY  C27  S31  aromatic  1.733  0.020  1.733
 JUY  C22  N23  aromatic  1.350  0.020  1.350
 JUY  C22  C17  aromatic  1.415  0.020  1.415
 JUY  C18  C17  aromatic  1.409  0.020  1.409
 JUY  C34  C33  aromatic  1.402  0.020  1.402
 JUY  N23  C14  aromatic  1.310  0.020  1.310
 JUY  C17  C16  aromatic  1.411  0.020  1.411
 JUY  C14  C13  single    1.499  0.020  1.499
 JUY  C14  C15  aromatic  1.419  0.020  1.419
 JUY  C16  C15  aromatic  1.362  0.020  1.362
 JUY  C30  S31  aromatic  1.728  0.020  1.728
 JUY  C30  C32  aromatic  1.392  0.020  1.392
 JUY  C33  C32  aromatic  1.382  0.020  1.382
 JUY  C10  H1   single    0.970  0.020  1.090
 JUY  C10  H2   single    0.970  0.020  1.090
 JUY  C13  H3   single    0.970  0.020  1.090
 JUY  C13  H4   single    0.970  0.020  1.090
 JUY  C15  H5   single    0.930  0.020  1.080
 JUY  C20  H6   single    0.930  0.020  1.080
 JUY  C04  H7   single    0.970  0.020  1.090
 JUY  C05  H8   single    0.970  0.020  1.090
 JUY  C05  H9   single    0.970  0.020  1.090
 JUY  C06  H10  single    0.970  0.020  1.090
 JUY  C06  H11  single    0.970  0.020  1.090
 JUY  C11  H12  single    0.970  0.020  1.090
 JUY  C11  H13  single    0.970  0.020  1.090
 JUY  C12  H14  single    0.970  0.020  1.090
 JUY  C12  H15  single    0.970  0.020  1.090
 JUY  C16  H16  single    0.930  0.020  1.080
 JUY  C18  H17  single    0.930  0.020  1.080
 JUY  C19  H18  single    0.930  0.020  1.080
 JUY  C32  H19  single    0.930  0.020  1.080
 JUY  C33  H20  single    0.930  0.020  1.080
 JUY  C34  H21  single    0.930  0.020  1.080
 JUY  C35  H22  single    0.930  0.020  1.080
 JUY  N07  H23  single    0.860  0.020  1.020
 JUY  N24  H24  single    0.860  0.020  1.020
 JUY  O03  H25  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
 JUY  H2   C10  H1   105.62  3.000
 JUY  H2   C10  C11  109.78  3.000
 JUY  H1   C10  C11  110.41  3.000
 JUY  H2   C10  C08  107.55  3.000
 JUY  H1   C10  C08  109.66  3.000
 JUY  C11  C10  C08  113.49  3.000
 JUY  H4   C13  H3   107.42  3.000
 JUY  H4   C13  C14  109.16  3.000
 JUY  H3   C13  C14  109.72  3.000
 JUY  H4   C13  C12  109.62  3.000
 JUY  H3   C13  C12  109.18  3.000
 JUY  C14  C13  C12  111.66  3.000
 JUY  H5   C15  C16  121.00  3.000
 JUY  H5   C15  C14  119.64  3.000
 JUY  C16  C15  C14  119.36  3.000
 JUY  C18  C17  C16  123.81  3.000
 JUY  C16  C17  C22  117.79  3.000
 JUY  C18  C17  C22  118.39  3.000
 JUY  H6   C20  N21  116.49  3.000
 JUY  H6   C20  C19  119.17  3.000
 JUY  N21  C20  C19  124.34  3.000
 JUY  N23  C22  N21  116.01  3.000
 JUY  N23  C22  C17  122.13  3.000
 JUY  N21  C22  C17  121.86  3.000
 JUY  O03  C02  O01  124.42  3.000
 JUY  O03  C02  C04  111.17  3.000
 JUY  O01  C02  C04  124.41  3.000
 JUY  H7   C04  N24  108.47  3.000
 JUY  H7   C04  C05  108.50  3.000
 JUY  N24  C04  C05  110.54  3.000
 JUY  H7   C04  C02  107.18  3.000
 JUY  N24  C04  C02  110.22  3.000
 JUY  C05  C04  C02  111.80  3.000
 JUY  H9   C05  H8   107.01  3.000
 JUY  H9   C05  C06  109.42  3.000
 JUY  H8   C05  C06  110.21  3.000
 JUY  H9   C05  C04  108.56  3.000
 JUY  H8   C05  C04  110.13  3.000
 JUY  C06  C05  C04  111.40  3.000
 JUY  H11  C06  H10  106.96  3.000
 JUY  H11  C06  N07  108.34  3.000
 JUY  H10  C06  N07  111.07  3.000
 JUY  H11  C06  C05  110.72  3.000
 JUY  H10  C06  C05  109.46  3.000
 JUY  N07  C06  C05  110.24  3.000
 JUY  O09  C08  N07  122.60  3.000
 JUY  N07  C08  C10  114.68  3.000
 JUY  O09  C08  C10  122.72  3.000
 JUY  H13  C11  H12  106.42  3.000
 JUY  H13  C11  C12  109.32  3.000
 JUY  H12  C11  C12  109.38  3.000
 JUY  H13  C11  C10  109.92  3.000
 JUY  H12  C11  C10  109.73  3.000
 JUY  C12  C11  C10  111.93  3.000
 JUY  H15  C12  H14  106.36  3.000
 JUY  H15  C12  C11  109.90  3.000
 JUY  H14  C12  C11  109.65  3.000
 JUY  H15  C12  C13  109.20  3.000
 JUY  H14  C12  C13  109.67  3.000
 JUY  C11  C12  C13  111.90  3.000
 JUY  N23  C14  C15  122.59  3.000
 JUY  C15  C14  C13  119.39  3.000
 JUY  N23  C14  C13  117.99  3.000
 JUY  H16  C16  C17  119.88  3.000
 JUY  H16  C16  C15  121.15  3.000
 JUY  C17  C16  C15  118.97  3.000
 JUY  H17  C18  C19  121.36  3.000
 JUY  H17  C18  C17  119.80  3.000
 JUY  C19  C18  C17  118.84  3.000
 JUY  H18  C19  C18  121.71  3.000
 JUY  H18  C19  C20  119.93  3.000
 JUY  C18  C19  C20  118.36  3.000
 JUY  S31  C27  N28  116.96  3.000
 JUY  S31  C27  C25  117.73  3.000
 JUY  N28  C27  C25  125.31  3.000
 JUY  N28  C29  C35  125.57  3.000
 JUY  C35  C29  C30  119.93  3.000
 JUY  N28  C29  C30  114.50  3.000
 JUY  S31  C30  C32  128.96  3.000
 JUY  C32  C30  C29  121.45  3.000
 JUY  S31  C30  C29  109.59  3.000
 JUY  H19  C32  C33  120.96  3.000
 JUY  H19  C32  C30  121.29  3.000
 JUY  C33  C32  C30  117.74  3.000
 JUY  H20  C33  C34  119.40  3.000
 JUY  H20  C33  C32  119.29  3.000
 JUY  C34  C33  C32  121.31  3.000
 JUY  H21  C34  C35  119.68  3.000
 JUY  H21  C34  C33  119.32  3.000
 JUY  C35  C34  C33  120.99  3.000
 JUY  H22  C35  C34  121.48  3.000
 JUY  H22  C35  C29  119.96  3.000
 JUY  C34  C35  C29  118.57  3.000
 JUY  H23  N07  C08  118.19  3.000
 JUY  H23  N07  C06  117.83  3.000
 JUY  C08  N07  C06  123.37  3.000
 JUY  C22  N21  C20  118.21  3.000
 JUY  C14  N23  C22  119.16  3.000
 JUY  H24  N24  C25  118.01  3.000
 JUY  H24  N24  C04  118.85  3.000
 JUY  C25  N24  C04  122.31  3.000
 JUY  C29  N28  C27  110.69  3.000
 JUY  H25  O03  C02  110.53  3.000
 JUY  C30  S31  C27   88.26  3.000
 JUY  O26  C25  N24  125.46  3.000
 JUY  O26  C25  C27  119.75  3.000
 JUY  N24  C25  C27  114.78  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
 JUY  CONST_01  C22  N23  C14  C15     0.00   0.0  0
 JUY  CONST_02  C22  C17  C16  C15     0.00   0.0  0
 JUY  CONST_03  C18  C17  C16  C15   180.00   0.0  0
 JUY  CONST_04  C20  N21  C22  C17     0.00   0.0  0
 JUY  CONST_05  C14  N23  C22  C17     0.00   0.0  0
 JUY  CONST_06  C20  C19  C18  C17     0.00   0.0  0
 JUY  CONST_07  C14  C15  C16  C17     0.00   0.0  0
 JUY  CONST_08  N23  C22  N21  C20   180.00   0.0  0
 JUY  CONST_09  C19  C20  N21  C22     0.00   0.0  0
 JUY  CONST_10  C19  C18  C17  C22     0.00   0.0  0
 JUY  CONST_11  N21  C22  N23  C14   180.00   0.0  0
 JUY  CONST_12  N21  C22  C17  C16   180.00   0.0  0
 JUY  CONST_13  N23  C22  C17  C16     0.00   0.0  0
 JUY  CONST_14  C19  C18  C17  C16   180.00   0.0  0
 JUY  CONST_15  N23  C14  C15  C16     0.00   0.0  0
 JUY  CONST_16  N21  C20  C19  C18     0.00   0.0  0
 JUY  CONST_17  N21  C22  C17  C18     0.00   0.0  0
 JUY  CONST_18  N23  C22  C17  C18   180.00   0.0  0
 JUY  CONST_19  C35  C29  N28  C27   180.00   0.0  0
 JUY  CONST_20  C30  C29  N28  C27     0.00   0.0  0
 JUY  CONST_21  C29  C30  S31  C27     0.00   0.0  0
 JUY  CONST_22  C32  C30  S31  C27   180.00   0.0  0
 JUY  CONST_23  S31  C27  N28  C29     0.00   0.0  0
 JUY  CONST_24  C33  C34  C35  C29     0.00   0.0  0
 JUY  CONST_25  C33  C32  C30  C29     0.00   0.0  0
 JUY  CONST_26  C34  C35  C29  C30     0.00   0.0  0
 JUY  CONST_27  N28  C27  S31  C30     0.00   0.0  0
 JUY  CONST_28  C34  C33  C32  C30     0.00   0.0  0
 JUY  CONST_29  N28  C29  C30  C32   180.00   0.0  0
 JUY  CONST_30  C35  C29  C30  C32     0.00   0.0  0
 JUY  CONST_31  C35  C34  C33  C32     0.00   0.0  0
 JUY  CONST_32  S31  C30  C32  C33   180.00   0.0  0
 JUY  CONST_33  N28  C29  C35  C34   180.00   0.0  0
 JUY  CONST_34  S31  C30  C29  C35   180.00   0.0  0
 JUY  CONST_35  S31  C30  C29  N28     0.00   0.0  0
 JUY  CONST_36  C22  N23  C14  C13   180.00   0.0  0
 JUY  CONST_37  C16  C15  C14  C13   180.00   0.0  0
 JUY  CONST_38  C29  N28  C27  C25   180.00   0.0  0
 JUY  CONST_39  C30  S31  C27  C25   180.00   0.0  0
 JUY  CONST_40  H18  C19  C18  C17   180.00   0.0  0
 JUY  CONST_41  H5   C15  C16  C17   180.00   0.0  0
 JUY  CONST_42  H17  C18  C19  C20   180.00   0.0  0
 JUY  CONST_43  H6   C20  N21  C22   180.00   0.0  0
 JUY  CONST_44  H16  C16  C17  C22   180.00   0.0  0
 JUY  CONST_45  H21  C34  C35  C29   180.00   0.0  0
 JUY  CONST_46  H19  C32  C30  C29   180.00   0.0  0
 JUY  CONST_47  H22  C35  C29  C30   180.00   0.0  0
 JUY  CONST_48  H20  C33  C32  C30   180.00   0.0  0
 JUY  CONST_49  C27  C25  N24  C04   180.00   0.0  0
 JUY  CONST_50  H24  N24  C25  C27     0.00   0.0  0
 JUY  CONST_51  C06  N07  C08  C10   180.00   0.0  0
 JUY  CONST_52  O26  C25  N24  C04     0.00   0.0  0
 JUY  CONST_53  O09  C08  N07  C06     0.00   0.0  0
 JUY  CONST_54  H23  N07  C08  C10     0.00   0.0  0
 JUY  CONST_55  H25  O03  C02  C04   180.00   0.0  0
 JUY  Var_01    C12  C13  C14  C15    80.88  30.0  2
 JUY  Var_02    N28  C27  C25  N24    -2.89  30.0  2
 JUY  Var_03    C14  C13  C12  C11   179.11  30.0  3
 JUY  Var_04    C13  C12  C11  C10   179.25  30.0  3
 JUY  Var_05    N07  C06  C05  C04  -177.88  30.0  3
 JUY  Var_06    C08  N07  C06  C05  -155.72  30.0  2
 JUY  Var_07    C12  C11  C10  C08   179.72  30.0  1
 JUY  Var_08    O09  C08  C10  C11    19.68  30.0  2

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
 JUY  chir_01  C04  C02  C05  N24  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
 JUY  plan-1  C27  0.020
 JUY  plan-1  C29  0.020
 JUY  plan-1  C30  0.020
 JUY  plan-1  C32  0.020
 JUY  plan-1  C33  0.020
 JUY  plan-1  C34  0.020
 JUY  plan-1  C35  0.020
 JUY  plan-1  N28  0.020
 JUY  plan-1  S31  0.020
 JUY  plan-1  H19  0.020
 JUY  plan-1  H20  0.020
 JUY  plan-1  H21  0.020
 JUY  plan-1  H22  0.020
 JUY  plan-1  C25  0.020
 JUY  plan-2  C13  0.020
 JUY  plan-2  C15  0.020
 JUY  plan-2  C17  0.020
 JUY  plan-2  C20  0.020
 JUY  plan-2  C22  0.020
 JUY  plan-2  C14  0.020
 JUY  plan-2  C16  0.020
 JUY  plan-2  C18  0.020
 JUY  plan-2  C19  0.020
 JUY  plan-2  N21  0.020
 JUY  plan-2  N23  0.020
 JUY  plan-2  H5   0.020
 JUY  plan-2  H6   0.020
 JUY  plan-2  H16  0.020
 JUY  plan-2  H17  0.020
 JUY  plan-2  H18  0.020
 JUY  plan-3  C10  0.020
 JUY  plan-3  C06  0.020
 JUY  plan-3  C08  0.020
 JUY  plan-3  N07  0.020
 JUY  plan-3  O09  0.020
 JUY  plan-3  H23  0.020
 JUY  plan-4  C04  0.020
 JUY  plan-4  C27  0.020
 JUY  plan-4  N24  0.020
 JUY  plan-4  O26  0.020
 JUY  plan-4  H24  0.020
 JUY  plan-4  C25  0.020
 JUY  plan-5  C02  0.020
 JUY  plan-5  C04  0.020
 JUY  plan-5  O01  0.020
 JUY  plan-5  O03  0.020
 JUY  plan-5  H25  0.020

