# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Sat May  9 07:04:32 2020
#   Inital geometry file: a 145 line input string
#   Ligand name: 4-[(2~{S},4~{S})-4-ethoxy-1-[(5-methoxy-7-methyl-1~{H}-indol-4-yl)methyl]piperidin-2-yl]benzoic acid
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: CCO[C@H]1CCN(Cc2c(OC)cc(C)c3[nH]ccc23)[C@@H](C1)c4ccc(cc4)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
 JGQ  JGQ  '4-[(2~{S},4~{S})-4-ethoxy-1-[(5-methoxy-7-methyl-1~{H}-indol-4-yl)methyl]piperidin-2-yl]benzoic acid'  ligand  61  31  .  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_JGQ
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
 JGQ  C1   C  CR56  0   0.059  -2.9325   1.0644   0.9147
 JGQ  C2   C  CR56  0   0.302  -3.9037   2.0291   0.5747
 JGQ  C3   C  CR6   0   0.068  -3.6283   3.1067  -0.2637
 JGQ  C11  C  CH3   0  -0.738  -4.6808   4.1128  -0.6167
 JGQ  C14  C  CH2   0  -0.273  -1.5165  -1.5857  -0.6187
 JGQ  C15  C  CH2   0  -0.480  -1.3087  -2.5631  -1.7593
 JGQ  C16  C  CH1   0   0.034  -0.1485  -3.5053  -1.4672
 JGQ  C17  C  CH2   0  -0.455   1.0765  -2.6629  -1.1615
 JGQ  C18  C  CH1   0  -0.106   0.8278  -1.6540  -0.0314
 JGQ  C19  C  CR6   0   0.097   2.0866  -0.8400   0.1489
 JGQ  C20  C  CR16  0  -0.306   2.9473  -1.0993   1.2098
 JGQ  C21  C  CR16  0  -0.242   4.1314  -0.3950   1.3517
 JGQ  C22  C  CR6   0  -0.097   4.4775   0.5896   0.4302
 JGQ  C23  C  CR16  0  -0.254   3.6178   0.8528  -0.6379
 JGQ  C24  C  CR16  0  -0.242   2.4378   0.1438  -0.7734
 JGQ  C25  C  C     0   0.528   5.7517   1.3187   0.6256
 JGQ  C30  C  CH3   0  -0.685  -1.3406  -6.2646   0.6512
 JGQ  C4   C  CR16  0  -0.481  -2.3348   3.1897  -0.7525
 JGQ  C5   C  CR6   0   0.350  -1.3501   2.2359  -0.4294
 JGQ  C6   C  CR6   0  -0.093  -1.6273   1.1587   0.4053
 JGQ  C7   C  CR15  0  -0.445  -3.5815   0.1226   1.7755
 JGQ  C8   C  CR15  0  -0.028  -4.8744   0.5418   1.9186
 JGQ  N9   N  NR15  0  -0.688  -5.0721   1.6826   1.2016
 JGQ  O10  O  O2    0  -0.467  -0.0813   2.3153  -0.8985
 JGQ  N13  N  NT    0  -0.415  -0.3194  -0.8068  -0.3338
 JGQ  O26  O  OH1   0  -0.595   5.9946   2.2114  -0.3255
 JGQ  O27  O  O     0  -0.443   6.5025   1.1254   1.5530
 JGQ  C31  C  CH3   0  -0.431   0.3027   3.4320  -1.6655
 JGQ  H1   H  HCH3  0   0.244  -5.1223   4.5612   0.2755
 JGQ  H2   H  HCH3  0   0.252  -4.2709   4.9184  -1.2238
 JGQ  H3   H  HCH3  0   0.247  -5.4965   3.6551  -1.1811
 JGQ  H6   H  HCH2  0   0.247  -2.3190  -0.8955  -0.8825
 JGQ  H7   H  HCH2  0   0.188  -1.8635  -2.1288   0.2774
 JGQ  H8   H  HCH2  0   0.242  -2.2376  -3.1050  -1.9496
 JGQ  H9   H  HCH2  0   0.234  -1.0783  -2.0154  -2.6770
 JGQ  H10  H  HCH1  0   0.221   0.0480  -4.1292  -2.3527
 JGQ  H11  H  HCH2  0   0.248   1.9210  -3.3024  -0.8930
 JGQ  H12  H  HCH2  0   0.239   1.3627  -2.1240  -2.0688
 JGQ  H13  H  HCH1  0   0.214   0.6624  -2.2237   0.9003
 JGQ  H14  H  HCR6  0   0.254   2.6888  -1.8583   1.9385
 JGQ  H15  H  HCR6  0   0.262   4.7869  -0.6107   2.1850
 JGQ  H16  H  HCR6  0   0.260   3.8602   1.6105  -1.3707
 JGQ  H17  H  HCR6  0   0.251   1.7694   0.3616  -1.5946
 JGQ  H18  H  HCH2  0   0.195  -1.3210  -5.8049  -1.4514
 JGQ  H19  H  HCH2  0   0.199  -2.3927  -4.7859  -0.4946
 JGQ  H20  H  HCH3  0   0.227  -0.4014  -6.8188   0.6423
 JGQ  H21  H  HCH3  0   0.228  -1.4340  -5.7633   1.6153
 JGQ  H22  H  HCH3  0   0.229  -2.1559  -6.9829   0.5688
 JGQ  H23  H  HCR6  0   0.264  -2.0933   4.0218  -1.4015
 JGQ  H24  H  HCR5  0   0.239  -3.1515  -0.7557   2.2290
 JGQ  H25  H  HCR5  0   0.277  -5.6803   0.1042   2.4858
 JGQ  H26  H  HNR5  0   0.408  -5.9453   2.1776   1.1384
 JGQ  H28  H  HOH1  0   0.486   6.8417   2.6488  -0.1553
 JGQ  H29  H  HCH3  0   0.251   1.3608   3.3053  -1.8856
 JGQ  H30  H  HCH3  0   0.220  -0.2412   3.4953  -2.6126
 JGQ  H31  H  HCH3  0   0.221   0.1703   4.3737  -1.1245
 JGQ  C12  C  CH2   0  -0.345  -0.5765   0.1399   0.7479
 JGQ  O28  O  O2    0  -0.496  -0.3719  -4.3358  -0.3471
 JGQ  C29  C  CH2   0  -0.145  -1.4114  -5.2762  -0.4921
 JGQ  H4   H  HCH2  0   0.253   0.3566   0.6530   0.9867
 JGQ  H5   H  HCH2  0   0.212  -0.8766  -0.3893   1.6673

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
 JGQ  C29  C30  single    1.513  0.020  1.513
 JGQ  C29  O28  single    1.409  0.020  1.409
 JGQ  C16  C15  single    1.523  0.020  1.523
 JGQ  C16  C17  single    1.518  0.020  1.518
 JGQ  C16  O28  single    1.412  0.020  1.412
 JGQ  C15  C14  single    1.516  0.020  1.516
 JGQ  C17  C18  single    1.535  0.020  1.535
 JGQ  C14  N13  single    1.456  0.020  1.456
 JGQ  C24  C23  aromatic  1.383  0.020  1.383
 JGQ  C24  C19  aromatic  1.394  0.020  1.394
 JGQ  C18  N13  single    1.458  0.020  1.458
 JGQ  C18  C19  single    1.510  0.020  1.510
 JGQ  N13  C12  single    1.460  0.020  1.460
 JGQ  C23  C22  aromatic  1.396  0.020  1.396
 JGQ  C19  C20  aromatic  1.391  0.020  1.391
 JGQ  C8   C7   aromatic  1.367  0.020  1.367
 JGQ  C8   N9   aromatic  1.362  0.020  1.362
 JGQ  C7   C1   aromatic  1.432  0.020  1.432
 JGQ  O27  C25  double    1.209  0.020  1.209
 JGQ  C22  C25  single    1.481  0.020  1.481
 JGQ  C22  C21  aromatic  1.392  0.020  1.392
 JGQ  C20  C21  aromatic  1.385  0.020  1.385
 JGQ  N9   C2   aromatic  1.371  0.020  1.371
 JGQ  C1   C2   aromatic  1.410  0.020  1.410
 JGQ  C1   C6   aromatic  1.404  0.020  1.404
 JGQ  C2   C3   aromatic  1.393  0.020  1.393
 JGQ  C12  C6   single    1.503  0.020  1.503
 JGQ  C6   C5   aromatic  1.391  0.020  1.391
 JGQ  C3   C11  single    1.498  0.020  1.498
 JGQ  C3   C4   aromatic  1.385  0.020  1.385
 JGQ  C25  O26  single    1.327  0.020  1.327
 JGQ  C5   C4   aromatic  1.408  0.020  1.408
 JGQ  C5   O10  single    1.355  0.020  1.355
 JGQ  O10  C31  single    1.408  0.020  1.408
 JGQ  C11  H1   single    0.970  0.020  1.090
 JGQ  C11  H2   single    0.970  0.020  1.090
 JGQ  C11  H3   single    0.970  0.020  1.090
 JGQ  C12  H4   single    0.970  0.020  1.090
 JGQ  C12  H5   single    0.970  0.020  1.090
 JGQ  C14  H6   single    0.970  0.020  1.090
 JGQ  C14  H7   single    0.970  0.020  1.090
 JGQ  C15  H8   single    0.970  0.020  1.090
 JGQ  C15  H9   single    0.970  0.020  1.090
 JGQ  C16  H10  single    0.970  0.020  1.090
 JGQ  C17  H11  single    0.970  0.020  1.090
 JGQ  C17  H12  single    0.970  0.020  1.090
 JGQ  C18  H13  single    0.970  0.020  1.090
 JGQ  C20  H14  single    0.930  0.020  1.080
 JGQ  C21  H15  single    0.930  0.020  1.080
 JGQ  C23  H16  single    0.930  0.020  1.080
 JGQ  C24  H17  single    0.930  0.020  1.080
 JGQ  C29  H18  single    0.970  0.020  1.090
 JGQ  C29  H19  single    0.970  0.020  1.090
 JGQ  C30  H20  single    0.970  0.020  1.090
 JGQ  C30  H21  single    0.970  0.020  1.090
 JGQ  C30  H22  single    0.970  0.020  1.090
 JGQ  C4   H23  single    0.930  0.020  1.080
 JGQ  C7   H24  single    0.930  0.020  1.080
 JGQ  C8   H25  single    0.930  0.020  1.080
 JGQ  N9   H26  single    0.860  0.020  1.020
 JGQ  O26  H28  single    0.850  0.020  0.980
 JGQ  C31  H29  single    0.970  0.020  1.090
 JGQ  C31  H30  single    0.970  0.020  1.090
 JGQ  C31  H31  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
 JGQ  C7   C1   C6   133.13  3.000
 JGQ  C6   C1   C2   120.44  3.000
 JGQ  C7   C1   C2   106.42  3.000
 JGQ  N9   C2   C3   129.75  3.000
 JGQ  C3   C2   C1   122.56  3.000
 JGQ  N9   C2   C1   107.69  3.000
 JGQ  C4   C3   C11  122.18  3.000
 JGQ  C4   C3   C2   116.32  3.000
 JGQ  C11  C3   C2   121.50  3.000
 JGQ  H3   C11  H2   107.64  3.000
 JGQ  H3   C11  H1   107.00  3.000
 JGQ  H2   C11  H1   107.69  3.000
 JGQ  H3   C11  C3   111.41  3.000
 JGQ  H2   C11  C3   111.33  3.000
 JGQ  H1   C11  C3   111.55  3.000
 JGQ  H7   C14  H6   106.04  3.000
 JGQ  H7   C14  N13  111.27  3.000
 JGQ  H6   C14  N13  108.28  3.000
 JGQ  H7   C14  C15  109.67  3.000
 JGQ  H6   C14  C15  109.07  3.000
 JGQ  N13  C14  C15  112.29  3.000
 JGQ  H9   C15  H8   106.35  3.000
 JGQ  H9   C15  C16  108.09  3.000
 JGQ  H8   C15  C16  111.99  3.000
 JGQ  H9   C15  C14  109.71  3.000
 JGQ  H8   C15  C14  109.53  3.000
 JGQ  C16  C15  C14  111.03  3.000
 JGQ  H10  C16  O28  109.44  3.000
 JGQ  H10  C16  C17  109.42  3.000
 JGQ  O28  C16  C17  107.12  3.000
 JGQ  H10  C16  C15  109.41  3.000
 JGQ  O28  C16  C15  113.30  3.000
 JGQ  C17  C16  C15  108.07  3.000
 JGQ  H12  C17  H11  106.86  3.000
 JGQ  H12  C17  C18  109.23  3.000
 JGQ  H11  C17  C18  109.20  3.000
 JGQ  H12  C17  C16  108.52  3.000
 JGQ  H11  C17  C16  110.39  3.000
 JGQ  C18  C17  C16  112.47  3.000
 JGQ  H13  C18  N13  110.91  3.000
 JGQ  H13  C18  C19  107.59  3.000
 JGQ  N13  C18  C19  111.57  3.000
 JGQ  H13  C18  C17  107.83  3.000
 JGQ  C19  C18  C17  107.88  3.000
 JGQ  N13  C18  C17  110.89  3.000
 JGQ  C24  C19  C20  118.73  3.000
 JGQ  C20  C19  C18  120.44  3.000
 JGQ  C24  C19  C18  120.78  3.000
 JGQ  H14  C20  C21  119.42  3.000
 JGQ  H14  C20  C19  119.74  3.000
 JGQ  C21  C20  C19  120.83  3.000
 JGQ  H15  C21  C22  120.01  3.000
 JGQ  H15  C21  C20  119.70  3.000
 JGQ  C22  C21  C20  120.29  3.000
 JGQ  C25  C22  C23  122.54  3.000
 JGQ  C25  C22  C21  118.34  3.000
 JGQ  C23  C22  C21  119.12  3.000
 JGQ  H16  C23  C24  118.94  3.000
 JGQ  H16  C23  C22  120.83  3.000
 JGQ  C24  C23  C22  120.23  3.000
 JGQ  H17  C24  C23  119.90  3.000
 JGQ  H17  C24  C19  119.29  3.000
 JGQ  C23  C24  C19  120.80  3.000
 JGQ  O27  C25  O26  122.95  3.000
 JGQ  O26  C25  C22  113.22  3.000
 JGQ  O27  C25  C22  123.84  3.000
 JGQ  H22  C30  H21  107.80  3.000
 JGQ  H22  C30  H20  107.98  3.000
 JGQ  H21  C30  H20  108.33  3.000
 JGQ  H22  C30  C29  109.78  3.000
 JGQ  H21  C30  C29  111.33  3.000
 JGQ  H20  C30  C29  111.48  3.000
 JGQ  H23  C4   C5   120.14  3.000
 JGQ  H23  C4   C3   117.77  3.000
 JGQ  C5   C4   C3   122.09  3.000
 JGQ  O10  C5   C6   116.10  3.000
 JGQ  O10  C5   C4   122.37  3.000
 JGQ  C6   C5   C4   121.53  3.000
 JGQ  C5   C6   C12  121.49  3.000
 JGQ  C5   C6   C1   117.07  3.000
 JGQ  C12  C6   C1   121.44  3.000
 JGQ  H24  C7   C8   125.68  3.000
 JGQ  H24  C7   C1   127.46  3.000
 JGQ  C8   C7   C1   106.86  3.000
 JGQ  H25  C8   N9   120.55  3.000
 JGQ  H25  C8   C7   129.62  3.000
 JGQ  N9   C8   C7   109.83  3.000
 JGQ  H26  N9   C8   124.86  3.000
 JGQ  H26  N9   C2   125.95  3.000
 JGQ  C8   N9   C2   109.19  3.000
 JGQ  C31  O10  C5   119.37  3.000
 JGQ  C18  N13  C14  112.13  3.000
 JGQ  C18  N13  C12  111.20  3.000
 JGQ  C14  N13  C12  110.30  3.000
 JGQ  H28  O26  C25  109.76  3.000
 JGQ  H31  C31  H30  108.55  3.000
 JGQ  H31  C31  H29  108.54  3.000
 JGQ  H30  C31  H29  108.36  3.000
 JGQ  H31  C31  O10  112.35  3.000
 JGQ  H30  C31  O10  112.45  3.000
 JGQ  H29  C31  O10  106.44  3.000
 JGQ  H5   C12  H4   106.02  3.000
 JGQ  H5   C12  N13  110.76  3.000
 JGQ  H4   C12  N13  108.44  3.000
 JGQ  H5   C12  C6   108.97  3.000
 JGQ  H4   C12  C6   109.20  3.000
 JGQ  N13  C12  C6   113.18  3.000
 JGQ  C29  O28  C16  115.31  3.000
 JGQ  H19  C29  H18  106.66  3.000
 JGQ  H19  C29  O28  111.21  3.000
 JGQ  H18  C29  O28  110.50  3.000
 JGQ  H19  C29  C30  109.60  3.000
 JGQ  H18  C29  C30  109.97  3.000
 JGQ  O28  C29  C30  108.89  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
 JGQ  CONST_01  N9   C8   C7   C1     0.00   0.0  0
 JGQ  CONST_02  C8   N9   C2   C1     0.00   0.0  0
 JGQ  CONST_03  C4   C3   C2   C1     0.00   0.0  0
 JGQ  CONST_04  C4   C5   C6   C1     0.00   0.0  0
 JGQ  CONST_05  C7   C8   N9   C2     0.00   0.0  0
 JGQ  CONST_06  C8   C7   C1   C2     0.00   0.0  0
 JGQ  CONST_07  C5   C6   C1   C2     0.00   0.0  0
 JGQ  CONST_08  C5   C4   C3   C2     0.00   0.0  0
 JGQ  CONST_09  C8   N9   C2   C3   180.00   0.0  0
 JGQ  CONST_10  C7   C1   C2   C3   180.00   0.0  0
 JGQ  CONST_11  C6   C1   C2   C3     0.00   0.0  0
 JGQ  CONST_12  C6   C5   C4   C3     0.00   0.0  0
 JGQ  CONST_13  C22  C23  C24  C19    0.00   0.0  0
 JGQ  CONST_14  C22  C21  C20  C19    0.00   0.0  0
 JGQ  CONST_15  C23  C24  C19  C20    0.00   0.0  0
 JGQ  CONST_16  C23  C22  C21  C20    0.00   0.0  0
 JGQ  CONST_17  C24  C23  C22  C21    0.00   0.0  0
 JGQ  CONST_18  C24  C19  C20  C21    0.00   0.0  0
 JGQ  CONST_19  N9   C2   C3   C4   180.00   0.0  0
 JGQ  CONST_20  C7   C1   C6   C5   180.00   0.0  0
 JGQ  CONST_21  C8   C7   C1   C6   180.00   0.0  0
 JGQ  CONST_22  N9   C2   C1   C6   180.00   0.0  0
 JGQ  CONST_23  N9   C2   C1   C7     0.00   0.0  0
 JGQ  CONST_24  C23  C24  C19  C18  180.00   0.0  0
 JGQ  CONST_25  C21  C20  C19  C18  180.00   0.0  0
 JGQ  CONST_26  C11  C3   C2   C1   180.00   0.0  0
 JGQ  CONST_27  O10  C5   C6   C1   180.00   0.0  0
 JGQ  CONST_28  C12  C6   C1   C2   180.00   0.0  0
 JGQ  CONST_29  O10  C5   C4   C3   180.00   0.0  0
 JGQ  CONST_30  N9   C2   C3   C11    0.00   0.0  0
 JGQ  CONST_31  C5   C4   C3   C11  180.00   0.0  0
 JGQ  CONST_32  C7   C1   C6   C12    0.00   0.0  0
 JGQ  CONST_33  C4   C5   C6   C12  180.00   0.0  0
 JGQ  CONST_34  C25  C22  C21  C20  180.00   0.0  0
 JGQ  CONST_35  C25  C22  C23  C24  180.00   0.0  0
 JGQ  CONST_36  H25  C8   C7   C1   180.00   0.0  0
 JGQ  CONST_37  H26  N9   C2   C1   180.00   0.0  0
 JGQ  CONST_38  H24  C7   C1   C2   180.00   0.0  0
 JGQ  CONST_39  H23  C4   C3   C2   180.00   0.0  0
 JGQ  CONST_40  H17  C24  C19  C18    0.00   0.0  0
 JGQ  CONST_41  H14  C20  C19  C18    0.00   0.0  0
 JGQ  CONST_42  H16  C23  C24  C19  180.00   0.0  0
 JGQ  CONST_43  H15  C21  C20  C19  180.00   0.0  0
 JGQ  CONST_44  H28  O26  C25  C22  180.00   0.0  0
 JGQ  Var_01    C18  N13  C14  C15  -56.81  30.0  1
 JGQ  Var_02    N13  C14  C15  C16   57.11  30.0  1
 JGQ  Var_03    N13  C12  C6   C1   103.53  30.0  2
 JGQ  Var_04    C6   C12  N13  C14  -62.85  30.0  3
 JGQ  Var_05    O27  C25  C22  C21   -1.27  30.0  2
 JGQ  Var_06    H1   C11  C3   C2    55.78  30.0  2
 JGQ  Var_07    C30  C29  O28  C16  168.37  30.0  1
 JGQ  Var_08    H29  C31  O10  C5   177.22  30.0  3
 JGQ  Var_09    H20  C30  C29  O28  -61.97  30.0  3

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
 JGQ  chir_01  C16  C15  C17  O28  negativ
 JGQ  chir_02  C18  N13  C19  C17  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
 JGQ  plan-1  C18  0.020
 JGQ  plan-1  C19  0.020
 JGQ  plan-1  C20  0.020
 JGQ  plan-1  C21  0.020
 JGQ  plan-1  C22  0.020
 JGQ  plan-1  C23  0.020
 JGQ  plan-1  C24  0.020
 JGQ  plan-1  C25  0.020
 JGQ  plan-1  H14  0.020
 JGQ  plan-1  H15  0.020
 JGQ  plan-1  H16  0.020
 JGQ  plan-1  H17  0.020
 JGQ  plan-2  C1   0.020
 JGQ  plan-2  C2   0.020
 JGQ  plan-2  C3   0.020
 JGQ  plan-2  C11  0.020
 JGQ  plan-2  C4   0.020
 JGQ  plan-2  C5   0.020
 JGQ  plan-2  C6   0.020
 JGQ  plan-2  C7   0.020
 JGQ  plan-2  C8   0.020
 JGQ  plan-2  N9   0.020
 JGQ  plan-2  O10  0.020
 JGQ  plan-2  H23  0.020
 JGQ  plan-2  H24  0.020
 JGQ  plan-2  H25  0.020
 JGQ  plan-2  H26  0.020
 JGQ  plan-2  C12  0.020
 JGQ  plan-3  C22  0.020
 JGQ  plan-3  C25  0.020
 JGQ  plan-3  O26  0.020
 JGQ  plan-3  O27  0.020
 JGQ  plan-3  H28  0.020

