# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Sun Jul 31 05:27:05 2022
#   Inital geometry file: a 128 line input string
#   Ligand name: 1-(5-bromanylpyridin-3-yl)-4-[4-(3-methylphenyl)cyclohexyl]piperazin-4-ium
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: Cc1cccc(c1)[C@@H]2CC[C@H](CC2)[NH+]3CCN(CC3)c4cncc(Br)c4
#
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
 GQC  GQC  "1-(5-bromanylpyridin-3-yl)-4-[4-(3-methylphenyl)cyclohexyl]piperazin-4-ium"
  ligand  55  26  .  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
;

data_comp_GQC
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
 GQC  C10  C   CH2   0  -0.501  -1.2511  -72.5002   7.0508
 GQC  C13  C   CH2   0  -0.436   1.0996  -73.3177   5.9441
 GQC  C15  C   CH2   0  -0.342  -1.5656  -72.6482  10.1371
 GQC  C20  C   CR6   0   0.302  -0.1253  -72.9433  13.0491
 GQC  C21  C   CR16  0  -0.201  -0.8398  -72.0997  13.9097
 GQC  C22  C   CR6   0  -0.169  -1.1549  -72.5469  15.1762
 GQC  C02  C   CR6   0   0.121   0.2094  -73.2077   1.3543
 GQC  C03  C   CR16  0  -0.383   0.1878  -73.7888   2.6217
 GQC  C04  C   CR6   0   0.187  -0.1286  -73.0619   3.7651
 GQC  C05  C   CR16  0  -0.337  -0.4303  -71.7073   3.6256
 GQC  C06  C   CR16  0  -0.220  -0.4216  -71.1135   2.3727
 GQC  C07  C   CR16  0  -0.322  -0.1055  -71.8572   1.2426
 GQC  C08  C   CH1   0  -0.314  -0.1216  -73.7384   5.1136
 GQC  C09  C   CH2   0  -0.456  -1.4145  -73.5285   5.9353
 GQC  C11  C   CH1   0  -0.083  -0.1547  -72.8872   8.0573
 GQC  C12  C   CH2   0  -0.498   0.9152  -73.7571   7.3919
 GQC  N14  N   NT1   1  -0.551  -0.7629  -73.5778   9.2691
 GQC  C16  C   CH2   0  -0.365  -0.6743  -71.7447  10.9759
 GQC  N17  N   NT    0  -0.494   0.2523  -72.5119  11.7872
 GQC  C18  C   CH2   0  -0.389   1.0626  -73.3603  10.9395
 GQC  C19  C   CH2   0  -0.343   0.2092  -74.3256  10.1365
 GQC  C23  C   CR16  0  -0.082  -0.7578  -73.8093  15.5957
 GQC  N24  N   N     0  -0.376  -0.0771  -74.6026  14.7875
 GQC  C25  C   CR16  0  -0.136   0.2252  -74.2007  13.5634
 GQC  BR2  BR  BR    0  -0.023  -2.1081  -71.4345  16.3599
 GQC  H1   H   HCH2  0   0.275  -0.9834  -71.5278   6.6362
 GQC  H2   H   HCH2  0   0.274  -2.2134  -72.3440   7.5405
 GQC  H3   H   HCH2  0   0.259   2.0019  -73.7699   5.5308
 GQC  H4   H   HCH2  0   0.240   1.2489  -72.2346   5.8963
 GQC  H5   H   HCH2  0   0.315  -2.2246  -72.0607   9.5039
 GQC  H6   H   HCH2  0   0.312  -2.1822  -73.2795  10.7765
 GQC  H7   H   HCR6  0   0.300  -1.1248  -71.1030  13.6015
 GQC  H8   H   HCH3  0   0.246   1.6683  -74.0345   0.0095
 GQC  H9   H   HCH3  0   0.241   0.2583  -75.0538   0.2433
 GQC  H10  H   HCH3  0   0.242   0.1491  -73.6082  -0.7627
 GQC  H12  H   HCR6  0   0.247  -0.6780  -71.1086   4.4937
 GQC  H13  H   HCR6  0   0.248  -0.6654  -70.0630   2.2736
 GQC  H14  H   HCR6  0   0.242  -0.1064  -71.3834   0.2679
 GQC  H15  H   HCH1  0   0.255  -0.0251  -74.8128   4.9333
 GQC  H16  H   HCH2  0   0.257  -2.2399  -73.2293   5.2880
 GQC  H17  H   HCH2  0   0.249  -1.7155  -74.4832   6.3746
 GQC  H18  H   HCH1  0   0.310   0.3182  -71.9816   8.4357
 GQC  H19  H   HCH2  0   0.254   0.6186  -74.8111   7.3948
 GQC  H20  H   HCH2  0   0.276   1.8568  -73.6896   7.9376
 GQC  H21  H   HNT1  0   0.473  -1.4141  -74.2807   8.9078
 GQC  H22  H   HCH2  0   0.287  -0.1066  -71.0562  10.3466
 GQC  H23  H   HCH2  0   0.304  -1.3278  -71.1246  11.5839
 GQC  H24  H   HCH2  0   0.304   1.7960  -73.9207  11.5154
 GQC  H25  H   HCH2  0   0.300   1.6445  -72.7170  10.2740
 GQC  H26  H   HCH2  0   0.316  -0.3941  -74.9555  10.7909
 GQC  H27  H   HCH2  0   0.319   0.8105  -74.9788   9.5128
 GQC  H28  H   HCR6  0   0.277  -0.9938  -74.1821  16.5854
 GQC  H29  H   HCR6  0   0.271   0.7737  -74.9191  12.9675
 GQC  H11  H   HCR6  0   0.236   0.4193  -74.8449   2.7199
 GQC  C01  C   CH3   0  -0.721   0.5851  -74.0186   0.1477

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
 GQC  C01  C02  single    1.502  0.020  1.502
 GQC  C02  C07  aromatic  1.391  0.020  1.391
 GQC  C02  C03  aromatic  1.394  0.020  1.394
 GQC  C07  C06  aromatic  1.389  0.020  1.389
 GQC  C03  C04  aromatic  1.391  0.020  1.391
 GQC  C06  C05  aromatic  1.387  0.020  1.387
 GQC  C04  C05  aromatic  1.395  0.020  1.395
 GQC  C04  C08  single    1.509  0.020  1.509
 GQC  C08  C13  single    1.536  0.020  1.536
 GQC  C08  C09  single    1.546  0.020  1.546
 GQC  C13  C12  single    1.524  0.020  1.524
 GQC  C09  C10  single    1.526  0.020  1.526
 GQC  C10  C11  single    1.538  0.020  1.538
 GQC  C12  C11  single    1.531  0.020  1.531
 GQC  C11  N14  single    1.522  0.020  1.522
 GQC  N14  C19  single    1.502  0.020  1.502
 GQC  N14  C15  single    1.504  0.020  1.504
 GQC  C19  C18  single    1.518  0.020  1.518
 GQC  C15  C16  single    1.521  0.020  1.521
 GQC  C16  N17  single    1.451  0.020  1.451
 GQC  C18  N17  single    1.447  0.020  1.447
 GQC  N17  C20  single    1.386  0.020  1.386
 GQC  C20  C25  aromatic  1.403  0.020  1.403
 GQC  C20  C21  aromatic  1.401  0.020  1.401
 GQC  C25  N24  aromatic  1.323  0.020  1.323
 GQC  C21  C22  aromatic  1.380  0.020  1.380
 GQC  N24  C23  aromatic  1.321  0.020  1.321
 GQC  C22  C23  aromatic  1.388  0.020  1.388
 GQC  C22  BR2  single    1.883  0.020  1.883
 GQC  C10  H1   single    0.970  0.020  1.090
 GQC  C10  H2   single    0.970  0.020  1.090
 GQC  C13  H3   single    0.970  0.020  1.090
 GQC  C13  H4   single    0.970  0.020  1.090
 GQC  C15  H5   single    0.970  0.020  1.090
 GQC  C15  H6   single    0.970  0.020  1.090
 GQC  C21  H7   single    0.930  0.020  1.080
 GQC  C01  H8   single    0.970  0.020  1.090
 GQC  C01  H9   single    0.970  0.020  1.090
 GQC  C01  H10  single    0.970  0.020  1.090
 GQC  C03  H11  single    0.930  0.020  1.080
 GQC  C05  H12  single    0.930  0.020  1.080
 GQC  C06  H13  single    0.930  0.020  1.080
 GQC  C07  H14  single    0.930  0.020  1.080
 GQC  C08  H15  single    0.970  0.020  1.090
 GQC  C09  H16  single    0.970  0.020  1.090
 GQC  C09  H17  single    0.970  0.020  1.090
 GQC  C11  H18  single    0.970  0.020  1.090
 GQC  C12  H19  single    0.970  0.020  1.090
 GQC  C12  H20  single    0.970  0.020  1.090
 GQC  N14  H21  single    0.890  0.020  1.040
 GQC  C16  H22  single    0.970  0.020  1.090
 GQC  C16  H23  single    0.970  0.020  1.090
 GQC  C18  H24  single    0.970  0.020  1.090
 GQC  C18  H25  single    0.970  0.020  1.090
 GQC  C19  H26  single    0.970  0.020  1.090
 GQC  C19  H27  single    0.970  0.020  1.090
 GQC  C23  H28  single    0.930  0.020  1.080
 GQC  C25  H29  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
 GQC  H2   C10  H1   105.04  3.000
 GQC  H2   C10  C11  111.78  3.000
 GQC  H1   C10  C11  107.35  3.000
 GQC  H2   C10  C09  109.28  3.000
 GQC  H1   C10  C09  110.45  3.000
 GQC  C11  C10  C09  112.65  3.000
 GQC  H4   C13  H3   106.31  3.000
 GQC  H4   C13  C12  110.08  3.000
 GQC  H3   C13  C12  109.91  3.000
 GQC  H4   C13  C08  110.86  3.000
 GQC  H3   C13  C08  109.84  3.000
 GQC  C12  C13  C08  109.79  3.000
 GQC  H6   C15  H5   108.18  3.000
 GQC  H6   C15  C16  110.61  3.000
 GQC  H5   C15  C16  110.83  3.000
 GQC  H6   C15  N14  106.41  3.000
 GQC  H5   C15  N14  108.76  3.000
 GQC  C16  C15  N14  111.88  3.000
 GQC  C25  C20  N17  123.00  3.000
 GQC  C25  C20  C21  116.22  3.000
 GQC  N17  C20  C21  120.72  3.000
 GQC  H7   C21  C22  120.01  3.000
 GQC  H7   C21  C20  120.95  3.000
 GQC  C22  C21  C20  119.03  3.000
 GQC  BR2  C22  C23  119.47  3.000
 GQC  BR2  C22  C21  120.07  3.000
 GQC  C23  C22  C21  120.45  3.000
 GQC  C07  C02  C03  118.30  3.000
 GQC  C03  C02  C01  120.61  3.000
 GQC  C07  C02  C01  121.08  3.000
 GQC  H11  C03  C04  118.84  3.000
 GQC  H11  C03  C02  118.97  3.000
 GQC  C04  C03  C02  122.19  3.000
 GQC  C08  C04  C05  121.73  3.000
 GQC  C08  C04  C03  119.95  3.000
 GQC  C05  C04  C03  118.32  3.000
 GQC  H12  C05  C06  119.26  3.000
 GQC  H12  C05  C04  120.40  3.000
 GQC  C06  C05  C04  120.33  3.000
 GQC  H13  C06  C07  119.74  3.000
 GQC  H13  C06  C05  119.79  3.000
 GQC  C07  C06  C05  120.48  3.000
 GQC  H14  C07  C06  119.83  3.000
 GQC  H14  C07  C02  119.79  3.000
 GQC  C06  C07  C02  120.38  3.000
 GQC  H15  C08  C09  107.14  3.000
 GQC  H15  C08  C04  107.07  3.000
 GQC  C09  C08  C04  114.22  3.000
 GQC  H15  C08  C13  106.75  3.000
 GQC  C09  C08  C13  109.90  3.000
 GQC  C04  C08  C13  111.36  3.000
 GQC  H17  C09  H16  105.65  3.000
 GQC  H17  C09  C08  108.98  3.000
 GQC  H16  C09  C08  110.77  3.000
 GQC  H17  C09  C10  108.92  3.000
 GQC  H16  C09  C10  109.27  3.000
 GQC  C08  C09  C10  112.98  3.000
 GQC  H18  C11  N14  105.91  3.000
 GQC  H18  C11  C12  108.66  3.000
 GQC  N14  C11  C12  111.57  3.000
 GQC  H18  C11  C10  109.12  3.000
 GQC  N14  C11  C10  110.52  3.000
 GQC  C12  C11  C10  110.90  3.000
 GQC  H20  C12  H19  106.99  3.000
 GQC  H20  C12  C11  110.54  3.000
 GQC  H19  C12  C11  110.88  3.000
 GQC  H20  C12  C13  110.67  3.000
 GQC  H19  C12  C13  108.22  3.000
 GQC  C11  C12  C13  109.49  3.000
 GQC  H21  N14  C19  105.88  3.000
 GQC  H21  N14  C11  106.54  3.000
 GQC  C19  N14  C11  115.29  3.000
 GQC  H21  N14  C15  106.77  3.000
 GQC  C19  N14  C15  108.65  3.000
 GQC  C11  N14  C15  113.10  3.000
 GQC  H23  C16  H22  105.98  3.000
 GQC  H23  C16  N17  111.89  3.000
 GQC  H22  C16  N17  108.88  3.000
 GQC  H23  C16  C15  107.16  3.000
 GQC  H22  C16  C15  111.18  3.000
 GQC  N17  C16  C15  111.61  3.000
 GQC  C18  N17  C16  109.87  3.000
 GQC  C18  N17  C20  120.22  3.000
 GQC  C16  N17  C20  119.98  3.000
 GQC  H25  C18  H24  105.46  3.000
 GQC  H25  C18  C19  110.57  3.000
 GQC  H24  C18  C19  109.36  3.000
 GQC  H25  C18  N17  108.03  3.000
 GQC  H24  C18  N17  111.67  3.000
 GQC  C19  C18  N17  111.58  3.000
 GQC  H27  C19  H26  107.68  3.000
 GQC  H27  C19  C18  112.04  3.000
 GQC  H26  C19  C18  111.16  3.000
 GQC  H27  C19  N14  109.05  3.000
 GQC  H26  C19  N14  106.02  3.000
 GQC  C18  C19  N14  110.65  3.000
 GQC  H28  C23  N24  117.67  3.000
 GQC  H28  C23  C22  121.77  3.000
 GQC  N24  C23  C22  120.56  3.000
 GQC  C25  N24  C23  120.07  3.000
 GQC  H29  C25  N24  115.04  3.000
 GQC  H29  C25  C20  121.30  3.000
 GQC  N24  C25  C20  123.66  3.000
 GQC  H10  C01  H9   108.13  3.000
 GQC  H10  C01  H8   107.25  3.000
 GQC  H9   C01  H8   107.14  3.000
 GQC  H10  C01  C02  111.59  3.000
 GQC  H9   C01  C02  111.56  3.000
 GQC  H8   C01  C02  110.95  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
 GQC  CONST_01  C23  N24  C25  C20     0.00   0.0  0
 GQC  CONST_02  C23  C22  C21  C20     0.00   0.0  0
 GQC  CONST_03  N24  C25  C20  C21     0.00   0.0  0
 GQC  CONST_04  N24  C23  C22  C21     0.00   0.0  0
 GQC  CONST_05  C25  C20  C21  C22     0.00   0.0  0
 GQC  CONST_06  C25  N24  C23  C22     0.00   0.0  0
 GQC  CONST_07  C05  C06  C07  C02     0.00   0.0  0
 GQC  CONST_08  C05  C04  C03  C02     0.00   0.0  0
 GQC  CONST_09  C06  C07  C02  C03     0.00   0.0  0
 GQC  CONST_10  C06  C05  C04  C03     0.00   0.0  0
 GQC  CONST_11  C07  C02  C03  C04     0.00   0.0  0
 GQC  CONST_12  C07  C06  C05  C04     0.00   0.0  0
 GQC  CONST_13  N17  C20  C21  C22   180.00   0.0  0
 GQC  CONST_14  C08  C04  C03  C02   180.00   0.0  0
 GQC  CONST_15  C08  C04  C05  C06   180.00   0.0  0
 GQC  CONST_16  N24  C25  C20  N17   180.00   0.0  0
 GQC  CONST_17  BR2  C22  C21  C20   180.00   0.0  0
 GQC  CONST_18  C06  C07  C02  C01   180.00   0.0  0
 GQC  CONST_19  C04  C03  C02  C01   180.00   0.0  0
 GQC  CONST_20  BR2  C22  C23  N24   180.00   0.0  0
 GQC  CONST_21  H29  C25  C20  C21   180.00   0.0  0
 GQC  CONST_22  H28  C23  C22  C21   180.00   0.0  0
 GQC  CONST_23  H13  C06  C07  C02   180.00   0.0  0
 GQC  CONST_24  H14  C07  C02  C03   180.00   0.0  0
 GQC  CONST_25  H12  C05  C04  C03   180.00   0.0  0
 GQC  CONST_26  H13  C06  C05  C04   180.00   0.0  0
 GQC  CONST_27  H14  C07  C06  C05   180.00   0.0  0
 GQC  CONST_28  H11  C03  C04  C05   180.00   0.0  0
 GQC  CONST_29  H11  C03  C02  C07   180.00   0.0  0
 GQC  CONST_30  H12  C05  C06  C07   180.00   0.0  0
 GQC  CONST_31  H11  C03  C04  C08     0.00   0.0  0
 GQC  CONST_32  H12  C05  C04  C08     0.00   0.0  0
 GQC  CONST_33  H29  C25  C20  N17     0.00   0.0  0
 GQC  CONST_34  H7   C21  C20  N17     0.00   0.0  0
 GQC  CONST_35  H29  C25  N24  C23   180.00   0.0  0
 GQC  CONST_36  H7   C21  C22  C23   180.00   0.0  0
 GQC  CONST_37  H7   C21  C20  C25   180.00   0.0  0
 GQC  CONST_38  H28  C23  N24  C25   180.00   0.0  0
 GQC  Var_01    C18  N17  C16  C15    57.61  30.0  1
 GQC  Var_02    C20  N17  C16  C15   -88.11  30.0  1
 GQC  Var_03    C19  C18  N17  C20    86.11  30.0  1
 GQC  Var_04    C16  N17  C20  C21   -41.72  30.0  3
 GQC  Var_05    C18  N17  C20  C21   176.08  30.0  3
 GQC  Var_06    C11  C12  C13  C08   -71.74  30.0  1
 GQC  Var_07    C11  C10  C09  C08   -59.37  30.0  1
 GQC  Var_08    N17  C18  C19  N14    59.20  30.0  1
 GQC  Var_09    N17  C16  C15  N14   -56.01  30.0  1
 GQC  Var_10    C19  C18  N17  C16   -59.53  30.0  1
 GQC  Var_11    C25  C20  N17  C16   141.21  30.0  2
 GQC  Var_12    C25  C20  N17  C18    -0.99  30.0  2
 GQC  Var_13    H22  C16  N17  C20   148.78  30.0  1
 GQC  Var_14    H23  C16  N17  C20    31.97  30.0  1
 GQC  Var_15    H24  C18  N17  C20   -36.62  30.0  1
 GQC  Var_16    H25  C18  N17  C20  -152.15  30.0  1
 GQC  Var_17    H19  C12  C13  C08    49.23  30.0  1
 GQC  Var_18    H20  C12  C13  C08   166.17  30.0  1
 GQC  Var_19    H1   C10  C09  C08    60.66  30.0  1
 GQC  Var_20    H2   C10  C09  C08   175.74  30.0  1
 GQC  Var_21    H16  C09  C10  C11   176.83  30.0  1
 GQC  Var_22    H17  C09  C10  C11    61.88  30.0  1
 GQC  Var_23    H3   C13  C12  C11   167.34  30.0  1
 GQC  Var_24    H4   C13  C12  C11    50.56  30.0  1
 GQC  Var_25    H24  C18  C19  N14  -176.76  30.0  1
 GQC  Var_26    H25  C18  C19  N14   -61.06  30.0  1
 GQC  Var_27    H22  C16  C15  N14    65.78  30.0  1
 GQC  Var_28    H23  C16  C15  N14  -178.84  30.0  1
 GQC  Var_29    H24  C18  N17  C16   177.75  30.0  1
 GQC  Var_30    H25  C18  N17  C16    62.22  30.0  1
 GQC  Var_31    H5   C15  C16  N17  -177.59  30.0  1
 GQC  Var_32    H6   C15  C16  N17    62.43  30.0  1
 GQC  Var_33    H26  C19  C18  N17   -58.33  30.0  1
 GQC  Var_34    H27  C19  C18  N17  -178.87  30.0  1
 GQC  Var_35    H22  C16  N17  C18   -65.50  30.0  1
 GQC  Var_36    H23  C16  N17  C18   177.70  30.0  1
 GQC  Var_37    H8   C01  C02  C03   -85.87  30.0  2
 GQC  Var_38    H9   C01  C02  C03    33.51  30.0  2
 GQC  Var_39    H10  C01  C02  C03   154.58  30.0  2
 GQC  Var_40    H8   C01  C02  C07    93.14  30.0  2
 GQC  Var_41    H9   C01  C02  C07  -147.48  30.0  2
 GQC  Var_42    H10  C01  C02  C07   -26.40  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
 GQC  chir_01  C08  C04  C13  C09  negativ
 GQC  chir_02  C11  N14  C10  C12  positiv
 GQC  chir_03  N14  C11  C19  C15  negativ

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
 GQC  plan-1  C20  0.020
 GQC  plan-1  C21  0.020
 GQC  plan-1  C22  0.020
 GQC  plan-1  N17  0.020
 GQC  plan-1  C23  0.020
 GQC  plan-1  N24  0.020
 GQC  plan-1  C25  0.020
 GQC  plan-1  BR2  0.020
 GQC  plan-1  H7   0.020
 GQC  plan-1  H28  0.020
 GQC  plan-1  H29  0.020
 GQC  plan-2  C02  0.020
 GQC  plan-2  C03  0.020
 GQC  plan-2  C04  0.020
 GQC  plan-2  C05  0.020
 GQC  plan-2  C06  0.020
 GQC  plan-2  C07  0.020
 GQC  plan-2  C08  0.020
 GQC  plan-2  H12  0.020
 GQC  plan-2  H13  0.020
 GQC  plan-2  H14  0.020
 GQC  plan-2  H11  0.020
 GQC  plan-2  C01  0.020

