# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Sat May  2 14:40:37 2020
#   Inital geometry file: a 151 line input string
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: CN1CCN(C(=O)C1)c2ccc(NCCNc3ccc(c(N)n3)[N+]([OH-])=O)nc2c4ccc(Cl)cc4Cl
#
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
 QQA  QQA  'None                     '  ligand  61  36  .  2022-07-22  2022-07-26
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as OK (reasonable std)
;

data_comp_QQA
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
 QQA  C1   C   CR6    0   0.078   1.2273   5.9007  -18.0357
 QQA  C2   C   CR6    0   0.466   1.6273   5.2391  -19.2360
 QQA  C11  C   CR6    0   0.545   2.7816  12.1318  -20.1612
 QQA  C14  C   CR16   0  -0.413   3.1869  13.4804  -20.0658
 QQA  C15  C   CR16   0  -0.134   3.2795  14.0444  -18.8197
 QQA  C16  C   CR6    0   0.200   2.9786  13.2874  -17.6830
 QQA  C17  C   CR6    0   0.187   2.5978  11.9727  -17.8762
 QQA  C19  C   CR6    0   0.139   2.2900  11.0852  -16.7263
 QQA  C23  C   CR16   0  -0.294   1.0720  11.1763  -16.0618
 QQA  C24  C   CR16   0  -0.196   0.7544  10.3299  -15.0114
 QQA  C25  C   CR6    0  -0.053   1.6789   9.3757  -14.6185
 QQA  C26  C   CR16   0  -0.166   2.9061   9.2581  -15.2499
 QQA  C27  C   CR6    0  -0.098   3.1916  10.1150  -16.3011
 QQA  C28  C   C      0   0.519   2.0668  14.4879  -15.8376
 QQA  C29  C   CH2    0  -0.387   2.2433  15.0602  -14.4486
 QQA  C31  C   CH2    0  -0.317   4.5527  14.5735  -14.5460
 QQA  C32  C   CH2    0  -0.279   4.3754  13.6016  -15.6879
 QQA  C4   C   CR6    0   0.515   2.4517   7.2263  -20.0967
 QQA  C5   C   CR16   0  -0.429   2.0690   7.9663  -18.9446
 QQA  C6   C   CR16   0  -0.188   1.4620   7.2827  -17.9391
 QQA  C8   C   CH2    0  -0.319   3.4717   9.2019  -21.1712
 QQA  C9   C   CH2    0  -0.305   2.3053  10.1381  -21.5145
 QQA  N10  N   NH1    0  -0.676   2.6515  11.5275  -21.3643
 QQA  N12  N   N      1   0.332   0.6154   5.2465  -16.9513
 QQA  N13  N   NH2    0  -0.810   1.4477   3.9384  -19.4741
 QQA  N18  N   N      0  -0.485   2.5046  11.4130  -19.0775
 QQA  N20  N   NT     0  -0.577   3.1156  13.8365  -16.3847
 QQA  N3   N   N      0  -0.521   2.2200   5.9230  -20.2144
 QQA  N30  N   NT     0  -0.416   3.3713  14.5376  -13.7157
 QQA  N7   N   NH1    0  -0.638   3.0795   7.8138  -21.1240
 QQA  O21  O   O     -1  -0.422   0.3303   5.8915  -15.9569
 QQA  O22  O   O      0  -0.455   0.3845   4.0444  -17.0244
 QQA  CL1  CL  CL     0  -0.098   4.7318   9.9816  -17.0756
 QQA  CL2  CL  CL     0  -0.109   1.3001   8.3046  -13.3163
 QQA  H1   H   HCR6   0   0.274   3.4150  14.0505  -20.9569
 QQA  H2   H   HCR6   0   0.272   3.5914  15.0756  -18.7098
 QQA  H3   H   HCR6   0   0.273   0.3539  11.9222  -16.3757
 QQA  H4   H   HCR6   0   0.288  -0.1984  10.4159  -14.5085
 QQA  H5   H   HCR6   0   0.304   3.6247   8.5143  -14.9353
 QQA  H6   H   HCH2   0   0.236   2.3008  16.1565  -14.5793
 QQA  H7   H   HCH2   0   0.274   1.3205  14.8639  -13.8982
 QQA  H8   H   HCH2   0   0.258   5.4219  14.2646  -13.9636
 QQA  H9   H   HCH2   0   0.212   4.7623  15.5854  -14.9326
 QQA  H10  H   HCH2   0   0.244   4.4006  12.5770  -15.3069
 QQA  H11  H   HCH2   0   0.256   5.1913  13.7114  -16.4028
 QQA  H12  H   HCH3   0   0.239   2.6451  15.1416  -11.8543
 QQA  H13  H   HCH3   0   0.240   4.3715  14.7897  -11.9032
 QQA  H14  H   HCH3   0   0.199   3.7594  16.3068  -12.5854
 QQA  H15  H   HCR6   0   0.319   2.2165   9.0356  -18.8792
 QQA  H16  H   HCR6   0   0.289   1.1461   7.8109  -17.0511
 QQA  H17  H   HCH2   0   0.250   3.9144   9.4943  -20.2168
 QQA  H18  H   HCH2   0   0.275   4.2511   9.2974  -21.9257
 QQA  H19  H   HCH2   0   0.264   1.9993   9.9796  -22.5480
 QQA  H20  H   HCH2   0   0.246   1.4445   9.9026  -20.8854
 QQA  H21  H   HNH1   0   0.400   2.9476  12.0335  -22.1813
 QQA  H22  H   HNH2   0   0.399   1.8121   3.5573  -20.3305
 QQA  H23  H   HNH2   0   0.417   1.0595   3.3243  -18.7820
 QQA  H25  H   HNH1   0   0.396   3.3021   7.2241  -21.9098
 QQA  H24  H   H      0  -0.000   5.7686  -2.9991   -3.4563
 QQA  O36  O   O      0  -0.497   1.0160  14.6547  -16.4395
 QQA  C33  C   CH3    0  -0.522   3.5467  15.2340  -12.4612

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
 QQA  C8   N7   single    1.443  0.020  1.443
 QQA  C8   C9   single    1.535  0.020  1.535
 QQA  N7   C4   single    1.340  0.020  1.340
 QQA  C9   N10  single    1.440  0.020  1.440
 QQA  N10  C11  single    1.353  0.020  1.353
 QQA  N3   C4   aromatic  1.329  0.020  1.329
 QQA  N3   C2   aromatic  1.333  0.020  1.333
 QQA  C4   C5   aromatic  1.422  0.020  1.422
 QQA  C11  C14  aromatic  1.411  0.020  1.411
 QQA  C11  N18  aromatic  1.330  0.020  1.330
 QQA  N13  C2   single    1.334  0.020  1.334
 QQA  C14  C15  aromatic  1.371  0.020  1.371
 QQA  C2   C1   aromatic  1.428  0.020  1.428
 QQA  C5   C6   aromatic  1.359  0.020  1.359
 QQA  N18  C17  aromatic  1.329  0.020  1.329
 QQA  C15  C16  aromatic  1.398  0.020  1.398
 QQA  C1   C6   aromatic  1.405  0.020  1.405
 QQA  C1   N12  single    1.407  0.020  1.407
 QQA  C17  C16  aromatic  1.382  0.020  1.382
 QQA  C17  C19  single    1.485  0.020  1.485
 QQA  C16  N20  single    1.416  0.020  1.416
 QQA  O22  N12  double    1.226  0.020  1.226
 QQA  N12  O21  single    1.219  0.020  1.219
 QQA  C19  C23  aromatic  1.391  0.020  1.391
 QQA  C19  C27  aromatic  1.391  0.020  1.391
 QQA  CL1  C27  single    1.729  0.020  1.729
 QQA  N20  C32  single    1.459  0.020  1.459
 QQA  N20  C28  single    1.350  0.020  1.350
 QQA  C23  C24  aromatic  1.386  0.020  1.386
 QQA  C32  C31  single    1.510  0.020  1.510
 QQA  C27  C26  aromatic  1.386  0.020  1.386
 QQA  O36  C28  double    1.222  0.020  1.222
 QQA  C28  C29  single    1.513  0.020  1.513
 QQA  C24  C25  aromatic  1.385  0.020  1.385
 QQA  C26  C25  aromatic  1.385  0.020  1.385
 QQA  C31  N30  single    1.444  0.020  1.444
 QQA  C25  CL2  single    1.728  0.020  1.728
 QQA  C29  N30  single    1.443  0.020  1.443
 QQA  N30  C33  single    1.446  0.020  1.446
 QQA  C14  H1   single    0.930  0.020  1.080
 QQA  C15  H2   single    0.930  0.020  1.080
 QQA  C23  H3   single    0.930  0.020  1.080
 QQA  C24  H4   single    0.930  0.020  1.080
 QQA  C26  H5   single    0.930  0.020  1.080
 QQA  C29  H6   single    0.970  0.020  1.090
 QQA  C29  H7   single    0.970  0.020  1.090
 QQA  C31  H8   single    0.970  0.020  1.090
 QQA  C31  H9   single    0.970  0.020  1.090
 QQA  C32  H10  single    0.970  0.020  1.090
 QQA  C32  H11  single    0.970  0.020  1.090
 QQA  C33  H12  single    0.970  0.020  1.090
 QQA  C33  H13  single    0.970  0.020  1.090
 QQA  C33  H14  single    0.970  0.020  1.090
 QQA  C5   H15  single    0.930  0.020  1.080
 QQA  C6   H16  single    0.930  0.020  1.080
 QQA  C8   H17  single    0.970  0.020  1.090
 QQA  C8   H18  single    0.970  0.020  1.090
 QQA  C9   H19  single    0.970  0.020  1.090
 QQA  C9   H20  single    0.970  0.020  1.090
 QQA  N10  H21  single    0.860  0.020  1.020
 QQA  N13  H22  single    0.860  0.020  1.020
 QQA  N13  H23  single    0.860  0.020  1.020
 QQA  N7   H25  single    0.860  0.020  1.020
 QQA  O21  H24  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
 QQA  N12  C1   C6   118.50  3.000
 QQA  N12  C1   C2   123.68  3.000
 QQA  C6   C1   C2   117.82  3.000
 QQA  N3   C2   N13  115.40  3.000
 QQA  N13  C2   C1   124.33  3.000
 QQA  N3   C2   C1   120.27  3.000
 QQA  N18  C11  N10  117.61  3.000
 QQA  N18  C11  C14  121.42  3.000
 QQA  N10  C11  C14  120.97  3.000
 QQA  H1   C14  C15  121.16  3.000
 QQA  H1   C14  C11  120.55  3.000
 QQA  C15  C14  C11  118.29  3.000
 QQA  H2   C15  C16  119.67  3.000
 QQA  H2   C15  C14  120.23  3.000
 QQA  C16  C15  C14  120.10  3.000
 QQA  N20  C16  C17  121.57  3.000
 QQA  N20  C16  C15  120.96  3.000
 QQA  C17  C16  C15  117.42  3.000
 QQA  N18  C17  C19  115.71  3.000
 QQA  C19  C17  C16  121.15  3.000
 QQA  N18  C17  C16  123.12  3.000
 QQA  C27  C19  C23  117.86  3.000
 QQA  C27  C19  C17  121.29  3.000
 QQA  C23  C19  C17  120.83  3.000
 QQA  H3   C23  C24  119.27  3.000
 QQA  H3   C23  C19  119.20  3.000
 QQA  C24  C23  C19  121.53  3.000
 QQA  H4   C24  C25  120.74  3.000
 QQA  H4   C24  C23  120.40  3.000
 QQA  C25  C24  C23  118.86  3.000
 QQA  CL2  C25  C26  119.02  3.000
 QQA  CL2  C25  C24  119.62  3.000
 QQA  C26  C25  C24  121.36  3.000
 QQA  H5   C26  C27  120.61  3.000
 QQA  H5   C26  C25  120.98  3.000
 QQA  C27  C26  C25  118.41  3.000
 QQA  CL1  C27  C26  118.39  3.000
 QQA  C26  C27  C19  121.98  3.000
 QQA  CL1  C27  C19  119.62  3.000
 QQA  O36  C28  N20  122.27  3.000
 QQA  O36  C28  C29  120.06  3.000
 QQA  N20  C28  C29  117.64  3.000
 QQA  H7   C29  H6   106.36  3.000
 QQA  H7   C29  N30  109.84  3.000
 QQA  H6   C29  N30  112.24  3.000
 QQA  H7   C29  C28  107.22  3.000
 QQA  H6   C29  C28  105.82  3.000
 QQA  N30  C29  C28  114.87  3.000
 QQA  H9   C31  H8   107.18  3.000
 QQA  H9   C31  N30  112.30  3.000
 QQA  H8   C31  N30  109.74  3.000
 QQA  H9   C31  C32  110.35  3.000
 QQA  H8   C31  C32  108.37  3.000
 QQA  N30  C31  C32  108.82  3.000
 QQA  H11  C32  H10  107.79  3.000
 QQA  H11  C32  N20  108.47  3.000
 QQA  H10  C32  N20  109.71  3.000
 QQA  H11  C32  C31  110.07  3.000
 QQA  H10  C32  C31  109.69  3.000
 QQA  N20  C32  C31  111.04  3.000
 QQA  N7   C4   N3   116.35  3.000
 QQA  N3   C4   C5   122.36  3.000
 QQA  N7   C4   C5   121.28  3.000
 QQA  H15  C5   C6   120.90  3.000
 QQA  H15  C5   C4   121.80  3.000
 QQA  C6   C5   C4   117.25  3.000
 QQA  H16  C6   C5   119.53  3.000
 QQA  H16  C6   C1   119.24  3.000
 QQA  C5   C6   C1   121.23  3.000
 QQA  H18  C8   H17  106.98  3.000
 QQA  H18  C8   N7   107.55  3.000
 QQA  H17  C8   N7   109.82  3.000
 QQA  H18  C8   C9   109.61  3.000
 QQA  H17  C8   C9   109.90  3.000
 QQA  N7   C8   C9   112.80  3.000
 QQA  H20  C9   H19  107.08  3.000
 QQA  H20  C9   N10  109.73  3.000
 QQA  H19  C9   N10  107.87  3.000
 QQA  H20  C9   C8   109.80  3.000
 QQA  H19  C9   C8   109.69  3.000
 QQA  N10  C9   C8   112.50  3.000
 QQA  H21  N10  C9   118.14  3.000
 QQA  H21  N10  C11  118.01  3.000
 QQA  C9   N10  C11  123.16  3.000
 QQA  O22  N12  O21  121.55  3.000
 QQA  O21  N12  C1   118.98  3.000
 QQA  O22  N12  C1   119.47  3.000
 QQA  H23  N13  H22  119.71  3.000
 QQA  H23  N13  C2   121.70  3.000
 QQA  H22  N13  C2   118.20  3.000
 QQA  C17  N18  C11  119.64  3.000
 QQA  C32  N20  C28  123.70  3.000
 QQA  C28  N20  C16  118.90  3.000
 QQA  C32  N20  C16  117.33  3.000
 QQA  C4   N3   C2   121.05  3.000
 QQA  C33  N30  C31  112.81  3.000
 QQA  C33  N30  C29  111.17  3.000
 QQA  C31  N30  C29  109.78  3.000
 QQA  H25  N7   C8   118.52  3.000
 QQA  H25  N7   C4   116.42  3.000
 QQA  C8   N7   C4   125.05  3.000
 QQA  H24  O21  N12  105.03  3.000
 QQA  H14  C33  H13  107.98  3.000
 QQA  H14  C33  H12  107.76  3.000
 QQA  H13  C33  H12  107.82  3.000
 QQA  H14  C33  N30  113.27  3.000
 QQA  H13  C33  N30  109.85  3.000
 QQA  H12  C33  N30  109.99  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
 QQA  CONST_01  C4   N3   C2   C1     0.00   0.0  0
 QQA  CONST_02  C4   C5   C6   C1     0.00   0.0  0
 QQA  CONST_03  C5   C4   N3   C2     0.00   0.0  0
 QQA  CONST_04  C5   C6   C1   C2     0.00   0.0  0
 QQA  CONST_05  C16  C15  C14  C11    0.00   0.0  0
 QQA  CONST_06  C16  C17  N18  C11    0.00   0.0  0
 QQA  CONST_07  C19  C17  N18  C11  180.00   0.0  0
 QQA  CONST_08  C17  N18  C11  C14    0.00   0.0  0
 QQA  CONST_09  C17  C16  C15  C14    0.00   0.0  0
 QQA  CONST_10  N18  C11  C14  C15    0.00   0.0  0
 QQA  CONST_11  N18  C17  C16  C15    0.00   0.0  0
 QQA  CONST_12  C19  C17  C16  C15  180.00   0.0  0
 QQA  CONST_15  C24  C23  C19  C17  180.00   0.0  0
 QQA  CONST_16  C26  C27  C19  C17  180.00   0.0  0
 QQA  CONST_17  C25  C24  C23  C19    0.00   0.0  0
 QQA  CONST_18  C25  C26  C27  C19    0.00   0.0  0
 QQA  CONST_20  C26  C27  C19  C23    0.00   0.0  0
 QQA  CONST_21  C26  C25  C24  C23    0.00   0.0  0
 QQA  CONST_22  C27  C19  C23  C24    0.00   0.0  0
 QQA  CONST_23  C27  C26  C25  C24    0.00   0.0  0
 QQA  CONST_25  N3   C4   C5   C6     0.00   0.0  0
 QQA  CONST_26  N3   C2   C1   C6     0.00   0.0  0
 QQA  CONST_27  N20  C16  C15  C14  180.00   0.0  0
 QQA  CONST_28  N20  C16  C17  C19    0.00   0.0  0
 QQA  CONST_29  N20  C16  C17  N18  180.00   0.0  0
 QQA  CONST_30  C29  C28  N20  C16  180.00   0.0  0
 QQA  CONST_31  C32  N20  C28  C29    0.00   0.0  0
 QQA  CONST_32  N7   C4   N3   C2   180.00   0.0  0
 QQA  CONST_33  N10  C11  C14  C15  180.00   0.0  0
 QQA  CONST_34  N10  C11  N18  C17  180.00   0.0  0
 QQA  CONST_35  CL1  C27  C19  C17    0.00   0.0  0
 QQA  CONST_36  CL1  C27  C19  C23  180.00   0.0  0
 QQA  CONST_37  CL2  C25  C24  C23  180.00   0.0  0
 QQA  CONST_38  CL1  C27  C26  C25  180.00   0.0  0
 QQA  CONST_39  CL2  C25  C26  C27  180.00   0.0  0
 QQA  CONST_40  N13  C2   N3   C4   180.00   0.0  0
 QQA  CONST_41  N12  C1   C6   C5   180.00   0.0  0
 QQA  CONST_42  N7   C4   C5   C6   180.00   0.0  0
 QQA  CONST_43  N13  C2   C1   C6   180.00   0.0  0
 QQA  CONST_44  N3   C2   C1   N12  180.00   0.0  0
 QQA  CONST_45  O36  C28  N20  C16    0.00   0.0  0
 QQA  CONST_46  O36  C28  N20  C32  180.00   0.0  0
 QQA  CONST_47  H15  C5   C6   C1   180.00   0.0  0
 QQA  CONST_48  H16  C6   C1   C2   180.00   0.0  0
 QQA  CONST_49  H2   C15  C14  C11  180.00   0.0  0
 QQA  CONST_50  H1   C14  C15  C16  180.00   0.0  0
 QQA  CONST_51  H3   C23  C19  C17    0.00   0.0  0
 QQA  CONST_52  H4   C24  C23  C19  180.00   0.0  0
 QQA  CONST_53  H5   C26  C27  C19  180.00   0.0  0
 QQA  CONST_54  O22  N12  C1   C2     0.00   0.0  0
 QQA  CONST_55  O21  N12  C1   C2   180.00   0.0  0
 QQA  CONST_56  C9   N10  C11  C14  180.00   0.0  0
 QQA  CONST_57  C8   N7   C4   C5     0.00   0.0  0
 QQA  CONST_58  O22  N12  C1   C6   180.00   0.0  0
 QQA  CONST_59  O21  N12  C1   C6     0.00   0.0  0
 QQA  CONST_60  N3   C4   N7   C8   180.00   0.0  0
 QQA  CONST_61  N18  C11  N10  C9     0.00   0.0  0
 QQA  CONST_62  H22  N13  C2   C1   180.00   0.0  0
 QQA  CONST_63  H23  N13  C2   C1     0.00   0.0  0
 QQA  CONST_64  H21  N10  C11  C14    0.00   0.0  0
 QQA  CONST_65  H25  N7   C4   C5   180.00   0.0  0
 QQA  Var_01    C32  N20  C16  C15  -94.03  30.0  2
 QQA  Var_02    C31  C32  N20  C16  162.17  30.0  1
 QQA  Var_03    C31  N30  C29  C28   48.54  30.0  1
 QQA  Var_04    C32  C31  N30  C29  -66.73  30.0  1
 QQA  Var_05    N30  C31  C32  N20   52.03  30.0  1
 QQA  Var_06    N30  C29  C28  N20  -16.39  30.0  1
 QQA  Var_07    H12  C33  N30  C29   58.62  30.0  3
 QQA  Var_08    C8   C9   N10  C11  -74.34  30.0  1
 QQA  Var_09    C9   C8   N7   C4   -79.34  30.0  3
 QQA  Var_10    N7   C8   C9   N10  171.27  30.0  2

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
 QQA  plan-1  C11  0.020
 QQA  plan-1  C14  0.020
 QQA  plan-1  C15  0.020
 QQA  plan-1  C16  0.020
 QQA  plan-1  C17  0.020
 QQA  plan-1  C19  0.020
 QQA  plan-1  N10  0.020
 QQA  plan-1  N18  0.020
 QQA  plan-1  N20  0.020
 QQA  plan-1  H1   0.020
 QQA  plan-1  H2   0.020
 QQA  plan-2  C4   0.020
 QQA  plan-2  C8   0.020
 QQA  plan-2  N7   0.020
 QQA  plan-2  H25  0.020
 QQA  plan-3  C16  0.020
 QQA  plan-3  C28  0.020
 QQA  plan-3  C29  0.020
 QQA  plan-3  C32  0.020
 QQA  plan-3  N20  0.020
 QQA  plan-3  O36  0.020
 QQA  plan-4  C17  0.020
 QQA  plan-4  C19  0.020
 QQA  plan-4  C23  0.020
 QQA  plan-4  C24  0.020
 QQA  plan-4  C25  0.020
 QQA  plan-4  C26  0.020
 QQA  plan-4  C27  0.020
 QQA  plan-4  CL1  0.020
 QQA  plan-4  CL2  0.020
 QQA  plan-4  H3   0.020
 QQA  plan-4  H4   0.020
 QQA  plan-4  H5   0.020
 QQA  plan-5  C1   0.020
 QQA  plan-5  C2   0.020
 QQA  plan-5  C4   0.020
 QQA  plan-5  C5   0.020
 QQA  plan-5  C6   0.020
 QQA  plan-5  N12  0.020
 QQA  plan-5  N13  0.020
 QQA  plan-5  N3   0.020
 QQA  plan-5  N7   0.020
 QQA  plan-5  H15  0.020
 QQA  plan-5  H16  0.020
 QQA  plan-6  C11  0.020
 QQA  plan-6  C9   0.020
 QQA  plan-6  N10  0.020
 QQA  plan-6  H21  0.020
 QQA  plan-7  C1   0.020
 QQA  plan-7  N12  0.020
 QQA  plan-7  O21  0.020
 QQA  plan-7  O22  0.020
 QQA  plan-8  C2   0.020
 QQA  plan-8  N13  0.020
 QQA  plan-8  H22  0.020
 QQA  plan-8  H23  0.020

