# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Tue Mar 22 04:42:30 2022
#   Inital geometry file: a 155 line input string
#   Ligand name: 3-[3-(tert-butylsulfanyl)-1-[(4-chlorophenyl)methyl]-5-(propan-2-yl)-1H-indol-2-yl]-2,2-dimethylpropanoic acid
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: CC(C)c1ccc2n(Cc3ccc(Cl)cc3)c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c2c1
#
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
 QY7  QY7  '3-[3-(tert-butylsulfanyl)-1-[(4-chlorophenyl)methyl]-5-(propan-2-yl)-1H-indol-2-yl]-2,2-dimethylpropanoic acid'  ligand  65  32  .  2022-08-10  2022-08-10
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as OK (reasonable std)
;

data_comp_QY7
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
 QY7  C7   C   CR16   0  -0.453  -91.7871   5.8280  25.7476
 QY7  C6   C   CR16   0  -0.193  -94.7671   5.8112  31.2183
 QY7  C1   C   CR16   0  -0.334  -93.9990   6.7827  25.6762
 QY7  C5   C   CR16   0  -0.195  -97.0619   5.8508  30.4770
 QY7  C4   C   CR16   0  -0.291  -94.5183   5.7638  26.4514
 QY7  C3   C   CR16   0  -0.297  -94.4687   4.8925  30.2237
 QY7  C2   C   CR16   0  -0.315  -96.7439   4.9331  29.4860
 QY7  C8   C   CR56   0   0.187  -92.2818   4.7879  26.5392
 QY7  C9   C   CR6    0   0.121  -95.4516   4.4404  29.3476
 QY7  C10  C   CR6    0   0.167  -92.6380   6.8299  25.3140
 QY7  C11  C   CR56   0   0.313  -93.6437   4.7658  26.8742
 QY7  C12  C   CR5    0  -0.350  -91.6971   3.6321  27.1494
 QY7  C13  C   CR6    0  -0.055  -96.0667   6.2807  31.3385
 QY7  C14  C   CR5    0   0.418  -92.7091   2.9479  27.7950
 QY7  C15  C   C      0   0.454  -94.5033   0.3219  27.4985
 QY7  C16  C   CH3    0  -0.641  -92.2194   9.3031  25.2267
 QY7  C17  C   CH3    0  -0.643  -92.8129   8.0606  23.1204
 QY7  C18  C   CH3    0  -0.630  -92.1770   0.2859  26.4527
 QY7  C19  C   CH3    0  -0.640  -92.5617  -0.8078  28.6465
 QY7  C20  C   CH3    0  -0.617  -89.2617   5.5029  28.2554
 QY7  C21  C   CH3    0  -0.628  -89.6910   3.5318  29.7327
 QY7  C22  C   CH3    0  -0.640  -87.6936   3.5500  28.2267
 QY7  C24  C   CH2    0  -0.524  -92.6070   1.6590  28.5345
 QY7  C25  C   CH1    0  -0.325  -92.1134   7.9750  24.4768
 QY7  C26  C   CT     0  -0.179  -92.9697   0.3666  27.7519
 QY7  C27  C   CT     0  -0.200  -89.1447   3.9927  28.3908
 QY7  N28  N   NR5    0  -0.576  -93.8808   3.6449  27.6332
 QY7  O29  O   OC    -1  -0.611  -95.2175   0.0570  28.4910
 QY7  O30  O   O      0  -0.590  -94.9098   0.5755  26.3482
 QY7  S31  S   S2     0  -0.049  -90.0302   3.1339  27.0086
 QY7  CL1  CL  CL     0  -0.132  -96.4508   7.4270  32.5821
 QY7  H1   H   HCR6   0   0.230  -90.7365   5.8499  25.4794
 QY7  H2   H   HCR6   0   0.277  -93.9935   6.1544  31.8920
 QY7  H3   H   HCR6   0   0.239  -94.6661   7.5673  25.3392
 QY7  H4   H   HCR6   0   0.277  -98.0716   6.2274  30.5689
 QY7  H5   H   HCR6   0   0.259  -95.5688   5.7520  26.7130
 QY7  H6   H   HCR6   0   0.272  -93.4496   4.5333  30.1364
 QY7  H7   H   HCR6   0   0.264  -97.5208   4.6051  28.8057
 QY7  H8   H   HCH3   0   0.227  -91.6870   9.2645  26.1778
 QY7  H9   H   HCH3   0   0.225  -91.7938  10.1169  24.6368
 QY7  H10  H   HCH3   0   0.218  -93.2603   9.5564  25.4371
 QY7  H11  H   HCH3   0   0.227  -92.7230   7.1268  22.5639
 QY7  H12  H   HCH3   0   0.218  -93.8760   8.2815  23.2328
 QY7  H13  H   HCH3   0   0.226  -92.3774   8.8555  22.5125
 QY7  H14  H   HCH3   0   0.203  -91.1041   0.3129  26.6529
 QY7  H15  H   HCH3   0   0.212  -92.3935  -0.6476  25.9299
 QY7  H16  H   HCH3   0   0.218  -92.4031   1.1039  25.7703
 QY7  H17  H   HCH3   0   0.220  -93.0559  -0.7656  29.6159
 QY7  H18  H   HCH3   0   0.218  -92.8181  -1.7632  28.1835
 QY7  H19  H   HCH3   0   0.207  -91.4826  -0.8054  28.8183
 QY7  H20  H   HCH3   0   0.228  -88.6936   5.9895  29.0523
 QY7  H21  H   HCH3   0   0.229  -88.8682   5.8492  27.2992
 QY7  H22  H   HCH3   0   0.237  -90.2980   5.8313  28.3372
 QY7  H23  H   HCH3   0   0.232  -89.1539   4.0294  30.5441
 QY7  H24  H   HCH3   0   0.242  -90.7497   3.7756  29.8377
 QY7  H25  H   HCH3   0   0.230  -89.5736   2.4552  29.8598
 QY7  H26  H   HCH3   0   0.240  -87.0809   4.0040  29.0079
 QY7  H27  H   HCH3   0   0.235  -87.5925   2.4667  28.3122
 QY7  H28  H   HCH3   0   0.236  -87.2846   3.8567  27.2625
 QY7  H29  H   HCH2   0   0.273  -95.9408   3.3965  27.5396
 QY7  H30  H   HCH2   0   0.304  -95.1362   2.4171  28.7325
 QY7  H31  H   HCH2   0   0.260  -91.5672   1.5655  28.8525
 QY7  H32  H   HCH2   0   0.251  -93.2023   1.6934  29.4514
 QY7  H33  H   HCH1   0   0.234  -91.0520   7.7825  24.2911
 QY7  C23  C   CH2    0  -0.422  -95.1459   3.4107  28.2883

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
 QY7  C17  C25  single    1.529  0.020  1.529
 QY7  C25  C16  single    1.529  0.020  1.529
 QY7  C25  C10  single    1.512  0.020  1.512
 QY7  C10  C1   aromatic  1.409  0.020  1.409
 QY7  C10  C7   aromatic  1.384  0.020  1.384
 QY7  C1   C4   aromatic  1.382  0.020  1.382
 QY7  C7   C8   aromatic  1.398  0.020  1.398
 QY7  C4   C11  aromatic  1.393  0.020  1.393
 QY7  C8   C11  aromatic  1.403  0.020  1.403
 QY7  C8   C12  aromatic  1.432  0.020  1.432
 QY7  O30  C15  deloc     1.246  0.020  1.246
 QY7  C11  N28  aromatic  1.374  0.020  1.374
 QY7  C18  C26  single    1.524  0.020  1.524
 QY7  C12  S31  single    1.745  0.020  1.745
 QY7  C12  C14  aromatic  1.382  0.020  1.382
 QY7  S31  C27  single    1.853  0.020  1.853
 QY7  N28  C14  aromatic  1.373  0.020  1.373
 QY7  N28  C23  single    1.444  0.020  1.444
 QY7  C15  C26  single    1.555  0.020  1.555
 QY7  C15  O29  deloc     1.251  0.020  1.251
 QY7  C14  C24  single    1.489  0.020  1.489
 QY7  C23  C9   single    1.509  0.020  1.509
 QY7  C26  C24  single    1.554  0.020  1.554
 QY7  C26  C19  single    1.532  0.020  1.532
 QY7  C20  C27  single    1.521  0.020  1.521
 QY7  C27  C22  single    1.526  0.020  1.526
 QY7  C27  C21  single    1.520  0.020  1.520
 QY7  C9   C3   aromatic  1.392  0.020  1.392
 QY7  C9   C2   aromatic  1.390  0.020  1.390
 QY7  C3   C6   aromatic  1.386  0.020  1.386
 QY7  C2   C5   aromatic  1.388  0.020  1.388
 QY7  C6   C13  aromatic  1.387  0.020  1.387
 QY7  C5   C13  aromatic  1.385  0.020  1.385
 QY7  C13  CL1  single    1.734  0.020  1.734
 QY7  C7   H1   single    0.930  0.020  1.080
 QY7  C6   H2   single    0.930  0.020  1.080
 QY7  C1   H3   single    0.930  0.020  1.080
 QY7  C5   H4   single    0.930  0.020  1.080
 QY7  C4   H5   single    0.930  0.020  1.080
 QY7  C3   H6   single    0.930  0.020  1.080
 QY7  C2   H7   single    0.930  0.020  1.080
 QY7  C16  H8   single    0.970  0.020  1.090
 QY7  C16  H9   single    0.970  0.020  1.090
 QY7  C16  H10  single    0.970  0.020  1.090
 QY7  C17  H11  single    0.970  0.020  1.090
 QY7  C17  H12  single    0.970  0.020  1.090
 QY7  C17  H13  single    0.970  0.020  1.090
 QY7  C18  H14  single    0.970  0.020  1.090
 QY7  C18  H15  single    0.970  0.020  1.090
 QY7  C18  H16  single    0.970  0.020  1.090
 QY7  C19  H17  single    0.970  0.020  1.090
 QY7  C19  H18  single    0.970  0.020  1.090
 QY7  C19  H19  single    0.970  0.020  1.090
 QY7  C20  H20  single    0.970  0.020  1.090
 QY7  C20  H21  single    0.970  0.020  1.090
 QY7  C20  H22  single    0.970  0.020  1.090
 QY7  C21  H23  single    0.970  0.020  1.090
 QY7  C21  H24  single    0.970  0.020  1.090
 QY7  C21  H25  single    0.970  0.020  1.090
 QY7  C22  H26  single    0.970  0.020  1.090
 QY7  C22  H27  single    0.970  0.020  1.090
 QY7  C22  H28  single    0.970  0.020  1.090
 QY7  C23  H29  single    0.970  0.020  1.090
 QY7  C23  H30  single    0.970  0.020  1.090
 QY7  C24  H31  single    0.970  0.020  1.090
 QY7  C24  H32  single    0.970  0.020  1.090
 QY7  C25  H33  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
 QY7  H1   C7   C10  120.23  3.000
 QY7  H1   C7   C8   119.87  3.000
 QY7  C10  C7   C8   119.90  3.000
 QY7  H2   C6   C13  120.58  3.000
 QY7  H2   C6   C3   120.20  3.000
 QY7  C13  C6   C3   119.22  3.000
 QY7  H3   C1   C10  119.37  3.000
 QY7  H3   C1   C4   118.49  3.000
 QY7  C10  C1   C4   122.13  3.000
 QY7  H4   C5   C13  120.66  3.000
 QY7  H4   C5   C2   120.33  3.000
 QY7  C13  C5   C2   119.01  3.000
 QY7  H5   C4   C11  121.89  3.000
 QY7  H5   C4   C1   120.55  3.000
 QY7  C11  C4   C1   117.56  3.000
 QY7  H6   C3   C9   120.36  3.000
 QY7  H6   C3   C6   118.66  3.000
 QY7  C9   C3   C6   120.97  3.000
 QY7  H7   C2   C9   119.79  3.000
 QY7  H7   C2   C5   118.96  3.000
 QY7  C9   C2   C5   121.24  3.000
 QY7  C12  C8   C11  106.38  3.000
 QY7  C12  C8   C7   134.24  3.000
 QY7  C11  C8   C7   119.38  3.000
 QY7  C23  C9   C2   120.02  3.000
 QY7  C2   C9   C3   118.60  3.000
 QY7  C23  C9   C3   121.36  3.000
 QY7  C25  C10  C1   120.18  3.000
 QY7  C1   C10  C7   119.28  3.000
 QY7  C25  C10  C7   120.54  3.000
 QY7  N28  C11  C8   108.19  3.000
 QY7  N28  C11  C4   130.07  3.000
 QY7  C8   C11  C4   121.74  3.000
 QY7  S31  C12  C14  126.57  3.000
 QY7  C14  C12  C8   107.44  3.000
 QY7  S31  C12  C8   125.87  3.000
 QY7  CL1  C13  C5   119.48  3.000
 QY7  CL1  C13  C6   119.57  3.000
 QY7  C5   C13  C6   120.95  3.000
 QY7  N28  C14  C24  123.80  3.000
 QY7  C24  C14  C12  127.61  3.000
 QY7  N28  C14  C12  108.58  3.000
 QY7  O30  C15  O29  126.10  3.000
 QY7  O29  C15  C26  116.09  3.000
 QY7  O30  C15  C26  117.80  3.000
 QY7  H10  C16  H9   107.63  3.000
 QY7  H10  C16  H8   107.79  3.000
 QY7  H9   C16  H8   107.90  3.000
 QY7  H10  C16  C25  111.24  3.000
 QY7  H9   C16  C25  110.83  3.000
 QY7  H8   C16  C25  111.30  3.000
 QY7  H13  C17  H12  107.37  3.000
 QY7  H13  C17  H11  107.85  3.000
 QY7  H12  C17  H11  107.83  3.000
 QY7  H13  C17  C25  110.63  3.000
 QY7  H12  C17  C25  111.45  3.000
 QY7  H11  C17  C25  111.53  3.000
 QY7  H16  C18  H15  107.52  3.000
 QY7  H16  C18  H14  107.48  3.000
 QY7  H15  C18  H14  107.69  3.000
 QY7  H16  C18  C26  112.73  3.000
 QY7  H15  C18  C26  110.51  3.000
 QY7  H14  C18  C26  110.71  3.000
 QY7  H19  C19  H18  107.48  3.000
 QY7  H19  C19  H17  107.95  3.000
 QY7  H18  C19  H17  107.75  3.000
 QY7  H19  C19  C26  110.68  3.000
 QY7  H18  C19  C26  111.13  3.000
 QY7  H17  C19  C26  111.68  3.000
 QY7  H22  C20  H21  108.25  3.000
 QY7  H22  C20  H20  107.77  3.000
 QY7  H21  C20  H20  108.08  3.000
 QY7  H22  C20  C27  111.45  3.000
 QY7  H21  C20  C27  111.45  3.000
 QY7  H20  C20  C27  109.71  3.000
 QY7  H25  C21  H24  108.29  3.000
 QY7  H25  C21  H23  108.07  3.000
 QY7  H24  C21  H23  107.67  3.000
 QY7  H25  C21  C27  111.31  3.000
 QY7  H24  C21  C27  111.45  3.000
 QY7  H23  C21  C27  109.91  3.000
 QY7  H28  C22  H27  108.27  3.000
 QY7  H28  C22  H26  107.76  3.000
 QY7  H27  C22  H26  107.74  3.000
 QY7  H28  C22  C27  111.71  3.000
 QY7  H27  C22  C27  111.57  3.000
 QY7  H26  C22  C27  109.64  3.000
 QY7  H32  C24  H31  106.08  3.000
 QY7  H32  C24  C26  108.74  3.000
 QY7  H31  C24  C26  107.33  3.000
 QY7  H32  C24  C14  110.59  3.000
 QY7  H31  C24  C14  106.51  3.000
 QY7  C26  C24  C14  116.98  3.000
 QY7  H33  C25  C17  107.65  3.000
 QY7  H33  C25  C16  107.65  3.000
 QY7  C17  C25  C16  110.79  3.000
 QY7  H33  C25  C10  107.28  3.000
 QY7  C16  C25  C10  111.23  3.000
 QY7  C17  C25  C10  112.01  3.000
 QY7  C24  C26  C19  106.34  3.000
 QY7  C19  C26  C18  108.59  3.000
 QY7  C24  C26  C18  110.61  3.000
 QY7  C19  C26  C15  109.62  3.000
 QY7  C24  C26  C15  109.65  3.000
 QY7  C18  C26  C15  111.87  3.000
 QY7  S31  C27  C22  103.87  3.000
 QY7  C22  C27  C21  110.41  3.000
 QY7  S31  C27  C21  110.26  3.000
 QY7  C21  C27  C20  110.61  3.000
 QY7  C22  C27  C20  110.59  3.000
 QY7  S31  C27  C20  110.92  3.000
 QY7  C23  N28  C14  127.74  3.000
 QY7  C23  N28  C11  122.28  3.000
 QY7  C14  N28  C11  109.39  3.000
 QY7  C27  S31  C12  105.30  3.000
 QY7  H30  C23  H29  105.92  3.000
 QY7  H30  C23  N28  108.99  3.000
 QY7  H29  C23  N28  109.20  3.000
 QY7  H30  C23  C9   109.78  3.000
 QY7  H29  C23  C9   110.05  3.000
 QY7  N28  C23  C9   112.67  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
 QY7  CONST_01  C4   C1   C10  C7      0.00   0.0  0
 QY7  CONST_02  C4   C11  C8   C7      0.00   0.0  0
 QY7  CONST_03  N28  C11  C8   C7    180.00   0.0  0
 QY7  CONST_04  C14  C12  C8   C7    180.00   0.0  0
 QY7  CONST_05  C2   C9   C3   C6      0.00   0.0  0
 QY7  CONST_06  C2   C5   C13  C6      0.00   0.0  0
 QY7  CONST_07  C8   C7   C10  C1      0.00   0.0  0
 QY7  CONST_08  C8   C11  C4   C1      0.00   0.0  0
 QY7  CONST_09  N28  C11  C4   C1    180.00   0.0  0
 QY7  CONST_10  C3   C9   C2   C5      0.00   0.0  0
 QY7  CONST_11  C3   C6   C13  C5      0.00   0.0  0
 QY7  CONST_12  C12  C8   C11  C4    180.00   0.0  0
 QY7  CONST_13  C14  N28  C11  C4    180.00   0.0  0
 QY7  CONST_14  C14  N28  C11  C8      0.00   0.0  0
 QY7  CONST_15  N28  C14  C12  C8      0.00   0.0  0
 QY7  CONST_16  C13  C6   C3   C9      0.00   0.0  0
 QY7  CONST_17  C13  C5   C2   C9      0.00   0.0  0
 QY7  CONST_18  C11  C4   C1   C10     0.00   0.0  0
 QY7  CONST_19  C11  C8   C7   C10     0.00   0.0  0
 QY7  CONST_20  C12  C8   C7   C10   180.00   0.0  0
 QY7  CONST_21  C14  C12  C8   C11     0.00   0.0  0
 QY7  CONST_22  C12  C14  N28  C11     0.00   0.0  0
 QY7  CONST_23  N28  C11  C8   C12     0.00   0.0  0
 QY7  CONST_24  S31  C12  C8   C7      0.00   0.0  0
 QY7  CONST_25  C23  C9   C3   C6    180.00   0.0  0
 QY7  CONST_26  C23  C9   C2   C5    180.00   0.0  0
 QY7  CONST_27  C25  C10  C1   C4    180.00   0.0  0
 QY7  CONST_28  C23  N28  C11  C4      0.00   0.0  0
 QY7  CONST_29  CL1  C13  C6   C3    180.00   0.0  0
 QY7  CONST_30  CL1  C13  C5   C2    180.00   0.0  0
 QY7  CONST_31  C25  C10  C7   C8    180.00   0.0  0
 QY7  CONST_32  C23  N28  C11  C8    180.00   0.0  0
 QY7  CONST_33  C24  C14  C12  C8    180.00   0.0  0
 QY7  CONST_34  S31  C12  C8   C11   180.00   0.0  0
 QY7  CONST_35  C24  C14  N28  C11   180.00   0.0  0
 QY7  CONST_36  C23  N28  C14  C12   180.00   0.0  0
 QY7  CONST_37  S31  C12  C14  N28   180.00   0.0  0
 QY7  CONST_38  H3   C1   C10  C7    180.00   0.0  0
 QY7  CONST_39  H4   C5   C13  C6    180.00   0.0  0
 QY7  CONST_40  H1   C7   C10  C1    180.00   0.0  0
 QY7  CONST_41  H2   C6   C13  C5    180.00   0.0  0
 QY7  CONST_42  H7   C2   C9   C3    180.00   0.0  0
 QY7  CONST_43  H6   C3   C9   C2    180.00   0.0  0
 QY7  CONST_44  H5   C4   C11  C8    180.00   0.0  0
 QY7  Var_01    N28  C23  C9   C3    -41.90  30.0  2
 QY7  Var_02    C11  N28  C23  C9    -64.18  30.0  2
 QY7  Var_03    C17  C25  C10  C7    120.84  30.0  2
 QY7  Var_04    C26  C24  C14  C12   -95.75  30.0  2
 QY7  Var_05    C20  C27  S31  C12   -60.48  30.0  3
 QY7  Var_06    C18  C26  C24  C14    53.05  30.0  2
 QY7  Var_07    H11  C17  C25  C10   -56.60  30.0  3
 QY7  Var_08    H8   C16  C25  C10    57.10  30.0  3
 QY7  Var_09    O30  C15  C26  C18   -18.13  30.0  2
 QY7  Var_10    H14  C18  C26  C15  -179.67  30.0  3
 QY7  Var_11    H17  C19  C26  C15   -60.92  30.0  3
 QY7  Var_12    H26  C22  C27  C20    61.24  30.0  3
 QY7  Var_13    H23  C21  C27  C20   -57.86  30.0  3
 QY7  Var_14    H20  C20  C27  C21    60.00  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
 QY7  plan-1  C6   0.020
 QY7  plan-1  C5   0.020
 QY7  plan-1  C3   0.020
 QY7  plan-1  C2   0.020
 QY7  plan-1  C9   0.020
 QY7  plan-1  C13  0.020
 QY7  plan-1  CL1  0.020
 QY7  plan-1  H2   0.020
 QY7  plan-1  H4   0.020
 QY7  plan-1  H6   0.020
 QY7  plan-1  H7   0.020
 QY7  plan-1  C23  0.020
 QY7  plan-2  C7   0.020
 QY7  plan-2  C1   0.020
 QY7  plan-2  C4   0.020
 QY7  plan-2  C8   0.020
 QY7  plan-2  C10  0.020
 QY7  plan-2  C11  0.020
 QY7  plan-2  C12  0.020
 QY7  plan-2  C14  0.020
 QY7  plan-2  C24  0.020
 QY7  plan-2  C25  0.020
 QY7  plan-2  N28  0.020
 QY7  plan-2  S31  0.020
 QY7  plan-2  H1   0.020
 QY7  plan-2  H3   0.020
 QY7  plan-2  H5   0.020
 QY7  plan-2  C23  0.020
 QY7  plan-3  C15  0.020
 QY7  plan-3  C26  0.020
 QY7  plan-3  O29  0.020
 QY7  plan-3  O30  0.020

