# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Thu Jul 22 23:04:56 2021
#   Inital geometry file: a 159 line input string
#   Ligand name: N-[3-({4-[4-(4-fluorophenyl)-2-(3-hydroxypropyl)-1H-imidazol-5-yl]pyridin-2-yl}amino)-4-methoxyphenyl]propanamide
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: CCC(=O)Nc1ccc(OC)c(Nc2cc(ccn2)c3[nH]c(CCCO)nc3c4ccc(F)cc4)c1
#
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
 QQM  QQM  N-[3-({4-[4-(4-fluorophenyl)-2-(3-hydroxypropyl)-1H-imidazol-5-yl]pyridin-2-yl}amino)-4-methoxyphenyl]propanamide  ligand  64  36  .  2022-03-23  2022-03-23
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as PERFECT
;

data_comp_QQM
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
 QQM  C10  C  CR16  0  -0.396  -36.7397   9.8635  -6.7257
 QQM  C14  C  CR6   0   0.006  -36.7898   9.0358  -4.4483
 QQM  C01  C  CR16  0  -0.284  -36.0391  10.1447  -4.0538
 QQM  C04  C  CR16  0  -0.399  -35.6297  11.0994  -4.9717
 QQM  C07  C  CR6   0   0.513  -35.9839  10.9374  -6.2971
 QQM  C12  C  CR16  0  -0.302  -37.1450   8.9214  -5.7930
 QQM  C15  C  CR5   0   0.077  -37.2179   8.0572  -3.4453
 QQM  C16  C  CR5   0   0.319  -37.3939   6.6911  -3.5521
 QQM  C17  C  CR5   0   0.432  -37.9388   7.3957  -1.5355
 QQM  C18  C  CH2   0  -0.522  -38.3586   7.3191  -0.1094
 QQM  C19  C  CH2   0  -0.468  -37.2533   6.7473   0.7840
 QQM  C20  C  CH2   0  -0.164  -37.6811   6.5672   2.2260
 QQM  C21  C  CR6   0   0.480  -37.6689   3.5883  -5.6199
 QQM  C22  C  CR16  0  -0.468  -37.9528   4.5749  -4.6665
 QQM  C23  C  CR6   0   0.137  -37.1567   5.7085  -4.6017
 QQM  C24  C  CR16  0  -0.423  -36.1186   5.8386  -5.5328
 QQM  C25  C  CR16  0  -0.057  -35.9644   4.8380  -6.4703
 QQM  C26  C  CR16  0  -0.326  -41.1081   0.9953  -2.8817
 QQM  C27  C  CR16  0  -0.381  -41.3401   0.7964  -4.2371
 QQM  C28  C  CR6   0   0.325  -40.4494   1.2780  -5.1872
 QQM  C29  C  CR6   0   0.267  -39.2784   1.9271  -4.7592
 QQM  C30  C  CR6   0   0.346  -39.9510   1.6314  -2.4562
 QQM  C31  C  CH3   0  -0.436  -41.7562   0.5020  -7.0082
 QQM  C32  C  CR16  0  -0.357  -39.0187   2.0449  -3.4012
 QQM  C34  C  CH2   0  -0.565  -39.1370   2.8591   1.0201
 QQM  C35  C  CH3   0  -0.673  -37.7050   2.7710   1.5422
 QQM  F36  F  F     0  -0.316  -35.5877  11.8548  -7.1948
 QQM  N02  N  NR15  0  -0.687  -37.8667   6.3081  -2.3232
 QQM  N05  N  N     0  -0.460  -37.5548   8.4689  -2.1864
 QQM  N08  N  N     0  -0.463  -36.7018   3.7330  -6.5222
 QQM  N13  N  NH1   0  -0.734  -39.7356   1.8135  -1.0777
 QQM  O03  O  OH1   0  -0.673  -38.0386   7.8203   2.7664
 QQM  O09  O  O     0  -0.489  -38.6862   3.8230  -1.1159
 QQM  H1   H  HCR6  0   0.280  -37.0195   9.7676  -7.7666
 QQM  H2   H  HCR6  0   0.259  -35.7641  10.2613  -3.0139
 QQM  H3   H  HCR6  0   0.279  -35.0434  11.9537  -4.6593
 QQM  H4   H  HCR6  0   0.264  -37.7569   8.0931  -6.1248
 QQM  H5   H  HCH2  0   0.260  -38.6391   8.3183   0.2214
 QQM  H6   H  HCH2  0   0.248  -39.2481   6.6875  -0.0314
 QQM  H7   H  HCH2  0   0.240  -36.9495   5.7685   0.4050
 QQM  H8   H  HCH2  0   0.239  -36.3696   7.3898   0.7369
 QQM  H9   H  HCH2  0   0.193  -38.5207   5.8589   2.2692
 QQM  H10  H  HCH2  0   0.208  -36.8557   6.1097   2.7864
 QQM  H11  H  HCR6  0   0.284  -38.7923   4.4618  -3.9965
 QQM  H12  H  HCR6  0   0.261  -35.4443   6.6820  -5.5185
 QQM  H13  H  HCR6  0   0.261  -35.1834   4.9198  -7.2182
 QQM  H14  H  HCR6  0   0.272  -41.8407   0.6521  -2.1619
 QQM  H15  H  HCR6  0   0.287  -42.2496   0.2935  -4.5355
 QQM  H16  H  HCH3  0   0.262  -41.6867   0.5233  -8.0927
 QQM  H17  H  HCH3  0   0.231  -41.7931  -0.5388  -6.6764
 QQM  H18  H  HCH3  0   0.230  -42.6794   1.0027  -6.7050
 QQM  H19  H  HCR6  0   0.294  -38.0785   2.4710  -3.0882
 QQM  H20  H  HCH2  0   0.267  -39.6038   3.7819   1.3723
 QQM  H21  H  HCH2  0   0.257  -39.7288   2.0323   1.4153
 QQM  H22  H  HCH3  0   0.245  -37.6977   2.8063   2.6307
 QQM  H23  H  HCH3  0   0.238  -37.2305   1.8388   1.2352
 QQM  H24  H  HCH3  0   0.239  -37.0965   3.5964   1.1753
 QQM  H25  H  HNR5  0   0.441  -38.0844   5.3617  -2.0196
 QQM  H27  H  HNH1  0   0.392  -38.2515   1.8967  -6.5567
 QQM  H28  H  HNH1  0   0.415  -40.1681   1.1360  -0.4690
 QQM  H29  H  HOH1  0   0.455  -38.3646   7.6808   3.6596
 QQM  N11  N  NH1   0  -0.752  -38.3858   2.4228  -5.7070
 QQM  O06  O  O2    0  -0.468  -40.6102   1.1707  -6.5196
 QQM  C33  C  C     0   0.562  -39.1683   2.8889  -0.4888

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
 QQM  F36  C07  single    1.343  0.020  1.343
 QQM  C31  O06  single    1.414  0.020  1.414
 QQM  N08  C25  aromatic  1.329  0.020  1.329
 QQM  N08  C21  aromatic  1.331  0.020  1.331
 QQM  C25  C24  aromatic  1.380  0.020  1.380
 QQM  O06  C28  single    1.346  0.020  1.346
 QQM  C10  C07  aromatic  1.381  0.020  1.381
 QQM  C10  C12  aromatic  1.386  0.020  1.386
 QQM  C07  C04  aromatic  1.381  0.020  1.381
 QQM  N11  C21  single    1.371  0.020  1.371
 QQM  N11  C29  single    1.393  0.020  1.393
 QQM  C21  C22  aromatic  1.401  0.020  1.401
 QQM  C24  C23  aromatic  1.400  0.020  1.400
 QQM  C12  C14  aromatic  1.396  0.020  1.396
 QQM  C28  C29  aromatic  1.406  0.020  1.406
 QQM  C28  C27  aromatic  1.389  0.020  1.389
 QQM  C04  C01  aromatic  1.386  0.020  1.386
 QQM  C29  C32  aromatic  1.388  0.020  1.388
 QQM  C22  C23  aromatic  1.387  0.020  1.387
 QQM  C23  C16  single    1.457  0.020  1.457
 QQM  C27  C26  aromatic  1.389  0.020  1.389
 QQM  C14  C01  aromatic  1.396  0.020  1.396
 QQM  C14  C15  single    1.465  0.020  1.465
 QQM  C32  C30  aromatic  1.390  0.020  1.390
 QQM  C16  C15  aromatic  1.382  0.020  1.382
 QQM  C16  N02  aromatic  1.371  0.020  1.371
 QQM  C15  N05  aromatic  1.367  0.020  1.367
 QQM  C26  C30  aromatic  1.387  0.020  1.387
 QQM  C30  N13  single    1.407  0.020  1.407
 QQM  N02  C17  aromatic  1.345  0.020  1.345
 QQM  N05  C17  aromatic  1.313  0.020  1.313
 QQM  C17  C18  single    1.489  0.020  1.489
 QQM  O09  C33  double    1.224  0.020  1.224
 QQM  N13  C33  single    1.351  0.020  1.351
 QQM  C33  C34  single    1.509  0.020  1.509
 QQM  C18  C19  single    1.532  0.020  1.532
 QQM  C34  C35  single    1.527  0.020  1.527
 QQM  C19  C20  single    1.515  0.020  1.515
 QQM  C20  O03  single    1.411  0.020  1.411
 QQM  C10  H1   single    0.930  0.020  1.080
 QQM  C01  H2   single    0.930  0.020  1.080
 QQM  C04  H3   single    0.930  0.020  1.080
 QQM  C12  H4   single    0.930  0.020  1.080
 QQM  C18  H5   single    0.970  0.020  1.090
 QQM  C18  H6   single    0.970  0.020  1.090
 QQM  C19  H7   single    0.970  0.020  1.090
 QQM  C19  H8   single    0.970  0.020  1.090
 QQM  C20  H9   single    0.970  0.020  1.090
 QQM  C20  H10  single    0.970  0.020  1.090
 QQM  C22  H11  single    0.930  0.020  1.080
 QQM  C24  H12  single    0.930  0.020  1.080
 QQM  C25  H13  single    0.930  0.020  1.080
 QQM  C26  H14  single    0.930  0.020  1.080
 QQM  C27  H15  single    0.930  0.020  1.080
 QQM  C31  H16  single    0.970  0.020  1.090
 QQM  C31  H17  single    0.970  0.020  1.090
 QQM  C31  H18  single    0.970  0.020  1.090
 QQM  C32  H19  single    0.930  0.020  1.080
 QQM  C34  H20  single    0.970  0.020  1.090
 QQM  C34  H21  single    0.970  0.020  1.090
 QQM  C35  H22  single    0.970  0.020  1.090
 QQM  C35  H23  single    0.970  0.020  1.090
 QQM  C35  H24  single    0.970  0.020  1.090
 QQM  N02  H25  single    0.860  0.020  1.020
 QQM  N11  H27  single    0.860  0.020  1.020
 QQM  N13  H28  single    0.860  0.020  1.020
 QQM  O03  H29  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
 QQM  H1   C10  C12  120.75  3.000
 QQM  H1   C10  C07  120.59  3.000
 QQM  C12  C10  C07  118.65  3.000
 QQM  C15  C14  C12  122.04  3.000
 QQM  C15  C14  C01  119.62  3.000
 QQM  C12  C14  C01  118.31  3.000
 QQM  H2   C01  C04  119.15  3.000
 QQM  H2   C01  C14  119.60  3.000
 QQM  C04  C01  C14  121.25  3.000
 QQM  H3   C04  C07  120.56  3.000
 QQM  H3   C04  C01  120.83  3.000
 QQM  C07  C04  C01  118.61  3.000
 QQM  F36  C07  C04  119.04  3.000
 QQM  C04  C07  C10  121.95  3.000
 QQM  F36  C07  C10  119.01  3.000
 QQM  H4   C12  C14  120.15  3.000
 QQM  H4   C12  C10  118.64  3.000
 QQM  C14  C12  C10  121.21  3.000
 QQM  N05  C15  C16  109.73  3.000
 QQM  N05  C15  C14  120.09  3.000
 QQM  C16  C15  C14  130.15  3.000
 QQM  N02  C16  C23  120.89  3.000
 QQM  N02  C16  C15  104.53  3.000
 QQM  C23  C16  C15  134.56  3.000
 QQM  N05  C17  N02  110.80  3.000
 QQM  N05  C17  C18  126.84  3.000
 QQM  N02  C17  C18  122.33  3.000
 QQM  H6   C18  H5   107.37  3.000
 QQM  H6   C18  C19  109.24  3.000
 QQM  H5   C18  C19  110.55  3.000
 QQM  H6   C18  C17  109.11  3.000
 QQM  H5   C18  C17  108.45  3.000
 QQM  C19  C18  C17  111.99  3.000
 QQM  H8   C19  H7   106.66  3.000
 QQM  H8   C19  C20  109.82  3.000
 QQM  H7   C19  C20  107.59  3.000
 QQM  H8   C19  C18  109.79  3.000
 QQM  H7   C19  C18  109.43  3.000
 QQM  C20  C19  C18  113.31  3.000
 QQM  H10  C20  H9   106.60  3.000
 QQM  H10  C20  O03  111.42  3.000
 QQM  H9   C20  O03  111.33  3.000
 QQM  H10  C20  C19  108.85  3.000
 QQM  H9   C20  C19  109.25  3.000
 QQM  O03  C20  C19  109.31  3.000
 QQM  N11  C21  N08  115.43  3.000
 QQM  N11  C21  C22  122.41  3.000
 QQM  N08  C21  C22  122.15  3.000
 QQM  H11  C22  C23  120.20  3.000
 QQM  H11  C22  C21  120.38  3.000
 QQM  C23  C22  C21  119.41  3.000
 QQM  C24  C23  C22  118.06  3.000
 QQM  C22  C23  C16  119.43  3.000
 QQM  C24  C23  C16  122.47  3.000
 QQM  H12  C24  C25  120.37  3.000
 QQM  H12  C24  C23  121.78  3.000
 QQM  C25  C24  C23  117.85  3.000
 QQM  H13  C25  N08  115.80  3.000
 QQM  H13  C25  C24  119.63  3.000
 QQM  N08  C25  C24  124.56  3.000
 QQM  H14  C26  C30  120.38  3.000
 QQM  H14  C26  C27  119.35  3.000
 QQM  C30  C26  C27  120.27  3.000
 QQM  H15  C27  C28  120.79  3.000
 QQM  H15  C27  C26  118.44  3.000
 QQM  C28  C27  C26  120.72  3.000
 QQM  O06  C28  C29  115.95  3.000
 QQM  C29  C28  C27  119.09  3.000
 QQM  O06  C28  C27  124.96  3.000
 QQM  N11  C29  C32  121.04  3.000
 QQM  C32  C29  C28  119.55  3.000
 QQM  N11  C29  C28  119.40  3.000
 QQM  N13  C30  C32  121.65  3.000
 QQM  N13  C30  C26  119.17  3.000
 QQM  C32  C30  C26  119.16  3.000
 QQM  H18  C31  H17  108.87  3.000
 QQM  H18  C31  H16  108.77  3.000
 QQM  H17  C31  H16  108.89  3.000
 QQM  H18  C31  O06  111.84  3.000
 QQM  H17  C31  O06  111.88  3.000
 QQM  H16  C31  O06  106.48  3.000
 QQM  H19  C32  C30  120.32  3.000
 QQM  H19  C32  C29  118.73  3.000
 QQM  C30  C32  C29  120.95  3.000
 QQM  H21  C34  H20  106.95  3.000
 QQM  H21  C34  C35  109.95  3.000
 QQM  H20  C34  C35  109.83  3.000
 QQM  H21  C34  C33  111.46  3.000
 QQM  H20  C34  C33  107.27  3.000
 QQM  C35  C34  C33  111.25  3.000
 QQM  H24  C35  H23  108.06  3.000
 QQM  H24  C35  H22  107.95  3.000
 QQM  H23  C35  H22  107.84  3.000
 QQM  H24  C35  C34  111.41  3.000
 QQM  H23  C35  C34  111.18  3.000
 QQM  H22  C35  C34  110.26  3.000
 QQM  H25  N02  C17  124.47  3.000
 QQM  H25  N02  C16  126.94  3.000
 QQM  C17  N02  C16  108.52  3.000
 QQM  C17  N05  C15  106.42  3.000
 QQM  C25  N08  C21  117.84  3.000
 QQM  H28  N13  C33  116.86  3.000
 QQM  H28  N13  C30  116.03  3.000
 QQM  C33  N13  C30  126.47  3.000
 QQM  H29  O03  C20  108.24  3.000
 QQM  H27  N11  C29  118.23  3.000
 QQM  H27  N11  C21  115.30  3.000
 QQM  C29  N11  C21  126.46  3.000
 QQM  C31  O06  C28  118.46  3.000
 QQM  O09  C33  N13  123.34  3.000
 QQM  N13  C33  C34  115.39  3.000
 QQM  O09  C33  C34  121.26  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
 QQM  CONST_01  C01  C04  C07  C10     0.00   0.0  0
 QQM  CONST_02  C01  C14  C12  C10     0.00   0.0  0
 QQM  CONST_03  C15  C14  C12  C10   180.00   0.0  0
 QQM  CONST_04  C07  C10  C12  C14     0.00   0.0  0
 QQM  CONST_05  C07  C04  C01  C14     0.00   0.0  0
 QQM  CONST_06  C23  C16  C15  C14     0.00   0.0  0
 QQM  CONST_07  N02  C16  C15  C14   180.00   0.0  0
 QQM  CONST_08  C17  N05  C15  C14   180.00   0.0  0
 QQM  CONST_11  C12  C10  C07  C04     0.00   0.0  0
 QQM  CONST_12  C12  C14  C01  C04     0.00   0.0  0
 QQM  CONST_13  C15  C14  C01  C04   180.00   0.0  0
 QQM  CONST_18  C17  N02  C16  C15     0.00   0.0  0
 QQM  CONST_19  N02  C17  N05  C15     0.00   0.0  0
 QQM  CONST_20  C25  C24  C23  C16   180.00   0.0  0
 QQM  CONST_21  C21  C22  C23  C16   180.00   0.0  0
 QQM  CONST_22  C17  N05  C15  C16     0.00   0.0  0
 QQM  CONST_23  N05  C17  N02  C16     0.00   0.0  0
 QQM  CONST_24  C23  C16  N02  C17   180.00   0.0  0
 QQM  CONST_25  C24  C25  N08  C21     0.00   0.0  0
 QQM  CONST_26  C24  C23  C22  C21     0.00   0.0  0
 QQM  CONST_27  C25  N08  C21  C22     0.00   0.0  0
 QQM  CONST_28  C25  C24  C23  C22     0.00   0.0  0
 QQM  CONST_30  N08  C25  C24  C23     0.00   0.0  0
 QQM  CONST_31  N08  C21  C22  C23     0.00   0.0  0
 QQM  CONST_32  N05  C15  C16  C23   180.00   0.0  0
 QQM  CONST_34  C29  C28  C27  C26     0.00   0.0  0
 QQM  CONST_35  C29  C32  C30  C26     0.00   0.0  0
 QQM  CONST_36  C32  C29  C28  C27     0.00   0.0  0
 QQM  CONST_37  C32  C30  C26  C27     0.00   0.0  0
 QQM  CONST_38  C30  C32  C29  C28     0.00   0.0  0
 QQM  CONST_39  C30  C26  C27  C28     0.00   0.0  0
 QQM  CONST_40  N05  C15  C16  N02     0.00   0.0  0
 QQM  CONST_41  F36  C07  C04  C01   180.00   0.0  0
 QQM  CONST_42  F36  C07  C10  C12   180.00   0.0  0
 QQM  CONST_43  C18  C17  N05  C15   180.00   0.0  0
 QQM  CONST_44  C18  C17  N02  C16   180.00   0.0  0
 QQM  CONST_45  N11  C21  C22  C23   180.00   0.0  0
 QQM  CONST_46  N11  C21  N08  C25   180.00   0.0  0
 QQM  CONST_47  O06  C28  C27  C26   180.00   0.0  0
 QQM  CONST_48  N11  C29  C28  C27   180.00   0.0  0
 QQM  CONST_49  N13  C30  C26  C27   180.00   0.0  0
 QQM  CONST_50  N13  C30  C32  C29   180.00   0.0  0
 QQM  CONST_51  N11  C29  C32  C30   180.00   0.0  0
 QQM  CONST_52  O06  C28  C29  C32   180.00   0.0  0
 QQM  CONST_53  H3   C04  C07  C10   180.00   0.0  0
 QQM  CONST_54  H1   C10  C12  C14   180.00   0.0  0
 QQM  CONST_55  H4   C12  C14  C01   180.00   0.0  0
 QQM  CONST_56  H2   C01  C04  C07   180.00   0.0  0
 QQM  CONST_57  H25  N02  C16  C15   180.00   0.0  0
 QQM  CONST_58  H12  C24  C23  C16     0.00   0.0  0
 QQM  CONST_59  H11  C22  C23  C16     0.00   0.0  0
 QQM  CONST_60  H13  C25  N08  C21   180.00   0.0  0
 QQM  CONST_61  H19  C32  C30  C26   180.00   0.0  0
 QQM  CONST_62  H14  C26  C27  C28   180.00   0.0  0
 QQM  CONST_63  H15  C27  C28  C29   180.00   0.0  0
 QQM  CONST_67  O09  C33  N13  C30     0.00   0.0  0
 QQM  CONST_68  C34  C33  N13  C30   180.00   0.0  0
 QQM  Var_01    C28  C29  N11  C21   142.48  30.0  2
 QQM  Var_02    C29  N11  C21  C22   -13.36  30.0  1
 QQM  Var_03    N02  C17  C18  C19    75.27  30.0  1
 QQM  Var_04    C20  C19  C18  C17  -176.04  30.0  3
 QQM  Var_05    H16  C31  O06  C28  -179.65  30.0  3
 QQM  Var_06    O03  C20  C19  C18   -60.88  30.0  3
 QQM  Var_07    O09  C33  C34  C35   -64.88  30.0  2
 QQM  Var_08    H22  C35  C34  C33   176.87  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
 QQM  plan-1  C14  0.020
 QQM  plan-1  C15  0.020
 QQM  plan-1  C16  0.020
 QQM  plan-1  C17  0.020
 QQM  plan-1  C18  0.020
 QQM  plan-1  C23  0.020
 QQM  plan-1  N02  0.020
 QQM  plan-1  N05  0.020
 QQM  plan-1  H25  0.020
 QQM  plan-2  C10  0.020
 QQM  plan-2  C14  0.020
 QQM  plan-2  C01  0.020
 QQM  plan-2  C04  0.020
 QQM  plan-2  C07  0.020
 QQM  plan-2  C12  0.020
 QQM  plan-2  C15  0.020
 QQM  plan-2  F36  0.020
 QQM  plan-2  H1   0.020
 QQM  plan-2  H2   0.020
 QQM  plan-2  H3   0.020
 QQM  plan-2  H4   0.020
 QQM  plan-3  C26  0.020
 QQM  plan-3  C27  0.020
 QQM  plan-3  C28  0.020
 QQM  plan-3  C29  0.020
 QQM  plan-3  C30  0.020
 QQM  plan-3  C32  0.020
 QQM  plan-3  N13  0.020
 QQM  plan-3  H14  0.020
 QQM  plan-3  H15  0.020
 QQM  plan-3  H19  0.020
 QQM  plan-3  N11  0.020
 QQM  plan-3  O06  0.020
 QQM  plan-4  C16  0.020
 QQM  plan-4  C21  0.020
 QQM  plan-4  C22  0.020
 QQM  plan-4  C23  0.020
 QQM  plan-4  C24  0.020
 QQM  plan-4  C25  0.020
 QQM  plan-4  N08  0.020
 QQM  plan-4  H11  0.020
 QQM  plan-4  H12  0.020
 QQM  plan-4  H13  0.020
 QQM  plan-4  N11  0.020
 QQM  plan-5  C30  0.020
 QQM  plan-5  C34  0.020
 QQM  plan-5  N13  0.020
 QQM  plan-5  O09  0.020
 QQM  plan-5  H28  0.020
 QQM  plan-5  C33  0.020

