# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Thu Jul 22 02:33:07 2021
#   Inital geometry file: a 148 line input string
#   Ligand name: ~{N}-[3-[2-[(3-methoxy-1-methyl-pyrazol-4-yl)amino]-5-methyl-pyrimidin-4-yl]-1~{H}-indol-7-yl]-2-methyl-pyridine-3-carboxamide
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: COc1nn(C)cc1Nc2ncc(C)c(n2)c3c[nH]c4c(NC(=O)c5cccnc5C)cccc34
#
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
 LKQ  LKQ  ~{N}-[3-[2-[(3-methoxy-1-methyl-pyrazol-4-yl)amino]-5-methyl-pyrimidin-4-yl]-1~{H}-indol-7-yl]-2-methyl-pyridine-3-carboxamide  ligand  59  35  .  2022-07-25  2022-07-25
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as OK (reasonable std)
;

data_comp_LKQ
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
 LKQ  C1   C  CR5   0   0.460  10.7321  -5.0625  -2.5482
 LKQ  C2   C  CH3   0  -0.504   9.7753  -1.9373  -1.3766
 LKQ  C3   C  CR15  0   0.047  11.4841  -3.7145  -0.9909
 LKQ  N6   N  NH1   0  -0.751  15.7127   1.8146   1.3391
 LKQ  C7   C  CR6   0  -0.039  16.3467  -5.2533   0.4017
 LKQ  C8   C  CH3   0  -0.768  17.7115  -5.1167   1.0006
 LKQ  C9   C  CR6   0   0.244  15.4247  -4.2074   0.2368
 LKQ  C10  C  CR5   0  -0.074  15.6727  -2.8326   0.6500
 LKQ  C11  C  CR15  0  -0.044  16.4806  -2.3943   1.6742
 LKQ  C12  C  CR56  0   0.329  15.5593  -0.5571   0.8290
 LKQ  C13  C  CR6   0   0.313  15.1985   0.7623   0.5536
 LKQ  C14  C  C     0   0.490  16.5124   2.7892   0.8404
 LKQ  C15  C  CR6   0  -0.153  16.8740   3.8522   1.8244
 LKQ  C16  C  CR16  0  -0.157  15.8851   4.4275   2.6122
 LKQ  C19  C  CR6   0   0.245  18.1892   4.3290   1.9371
 LKQ  C20  C  CH3   0  -0.731  19.3287   3.7537   1.1505
 LKQ  C21  C  CR16  0  -0.319  14.3338   0.9795  -0.5012
 LKQ  C22  C  CR16  0  -0.269  13.8525  -0.0916  -1.2654
 LKQ  C24  C  CR56  0   0.055  15.0639  -1.6498   0.0908
 LKQ  O1   O  O     0  -0.449  16.8935   2.8135  -0.3149
 LKQ  N7   N  N     0  -0.423  18.4931   5.3122   2.7783
 LKQ  C18  C  CR16  0  -0.061  17.5367   5.8640   3.5163
 LKQ  C17  C  CR16  0  -0.326  16.2151   5.4587   3.4756
 LKQ  C23  C  CR16  0  -0.374  14.2037  -1.3978  -0.9836
 LKQ  N5   N  NR15  0  -0.685  16.4066  -1.0465   1.7815
 LKQ  C6   C  CR16  0  -0.066  15.9184  -6.4863  -0.0751
 LKQ  N3   N  N     0  -0.466  14.7487  -6.7124  -0.6449
 LKQ  N4   N  N     0  -0.498  14.2411  -4.4203  -0.3439
 LKQ  C5   C  CR6   0   0.570  13.9532  -5.6450  -0.7582
 LKQ  N2   N  NH1   0  -0.758  12.7516  -5.8661  -1.3486
 LKQ  C4   C  CR5   0   0.008  11.7561  -4.9279  -1.5862
 LKQ  N1   N  NR5   0  -0.289  10.3830  -3.2240  -1.5909
 LKQ  N    N  N     0  -0.322   9.9127  -4.0359  -2.5415
 LKQ  O    O  O2    0  -0.479  10.6084  -6.1215  -3.3524
 LKQ  C    C  CH3   0  -0.419   9.5249  -6.1012  -4.2684
 LKQ  H1   H  HCH3  0   0.256   8.7093  -2.0486  -1.1864
 LKQ  H2   H  HCH3  0   0.254  10.2360  -1.4711  -0.5097
 LKQ  H3   H  HCH3  0   0.252   9.9163  -1.2871  -2.2397
 LKQ  H4   H  HCR5  0   0.298  11.9978  -3.1796  -0.2125
 LKQ  H5   H  HNH1  0   0.418  15.5283   1.8013   2.3315
 LKQ  H6   H  HCH3  0   0.247  18.2327  -4.2330   0.6288
 LKQ  H7   H  HCH3  0   0.248  17.6858  -5.0465   2.0897
 LKQ  H8   H  HCH3  0   0.258  18.3207  -5.9863   0.7545
 LKQ  H9   H  HCR5  0   0.298  17.0845  -2.9507   2.3706
 LKQ  H10  H  HCR6  0   0.282  14.8591   4.0886   2.5413
 LKQ  H11  H  HCH3  0   0.250  20.2696   4.1174   1.5567
 LKQ  H12  H  HCH3  0   0.246  19.3373   2.6642   1.1804
 LKQ  H13  H  HCH3  0   0.259  19.2737   4.0459   0.1022
 LKQ  H14  H  HCR6  0   0.262  14.0226   1.9892  -0.7347
 LKQ  H15  H  HCR6  0   0.252  13.1855   0.1141  -2.0923
 LKQ  H16  H  HCR6  0   0.269  17.8431   6.6696   4.1747
 LKQ  H17  H  HCR6  0   0.276  15.4702   5.9344   4.0973
 LKQ  H18  H  HCR6  0   0.258  13.8184  -2.2112  -1.5807
 LKQ  H19  H  HNR5  0   0.416  16.9069  -0.5015   2.4643
 LKQ  H20  H  HCR6  0   0.260  16.5807  -7.3437   0.0079
 LKQ  H21  H  HNH1  0   0.401  12.5811  -6.8125  -1.6487
 LKQ  H22  H  HCH3  0   0.248   9.5868  -7.0247  -4.8383
 LKQ  H23  H  HCH3  0   0.227   8.5629  -6.0617  -3.7535
 LKQ  H24  H  HCH3  0   0.227   9.5912  -5.2517  -4.9508

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
 LKQ  C    O    single    1.419  0.020  1.419
 LKQ  O    C1   single    1.335  0.020  1.335
 LKQ  N    C1   aromatic  1.314  0.020  1.314
 LKQ  N    N1   aromatic  1.336  0.020  1.336
 LKQ  C1   C4   aromatic  1.411  0.020  1.411
 LKQ  N1   C2   single    1.439  0.020  1.439
 LKQ  N1   C3   aromatic  1.346  0.020  1.346
 LKQ  C4   N2   single    1.388  0.020  1.388
 LKQ  C4   C3   aromatic  1.379  0.020  1.379
 LKQ  N2   C5   single    1.357  0.020  1.357
 LKQ  C22  C23  aromatic  1.382  0.020  1.382
 LKQ  C22  C21  aromatic  1.401  0.020  1.401
 LKQ  C5   N3   aromatic  1.336  0.020  1.336
 LKQ  C5   N4   aromatic  1.324  0.020  1.324
 LKQ  C23  C24  aromatic  1.399  0.020  1.399
 LKQ  N3   C6   aromatic  1.321  0.020  1.321
 LKQ  C21  C13  aromatic  1.381  0.020  1.381
 LKQ  N4   C9   aromatic  1.335  0.020  1.335
 LKQ  O1   C14  double    1.217  0.020  1.217
 LKQ  C6   C7   aromatic  1.390  0.020  1.390
 LKQ  C20  C19  single    1.499  0.020  1.499
 LKQ  C24  C10  aromatic  1.443  0.020  1.443
 LKQ  C24  C12  aromatic  1.409  0.020  1.409
 LKQ  C9   C7   aromatic  1.404  0.020  1.404
 LKQ  C9   C10  single    1.457  0.020  1.457
 LKQ  C13  C12  aromatic  1.395  0.020  1.395
 LKQ  C13  N6   single    1.410  0.020  1.410
 LKQ  C7   C8   single    1.497  0.020  1.497
 LKQ  C10  C11  aromatic  1.376  0.020  1.376
 LKQ  C12  N5   aromatic  1.366  0.020  1.366
 LKQ  C14  N6   single    1.356  0.020  1.356
 LKQ  C14  C15  single    1.493  0.020  1.493
 LKQ  C19  C15  aromatic  1.403  0.020  1.403
 LKQ  C19  N7   aromatic  1.329  0.020  1.329
 LKQ  C11  N5   aromatic  1.354  0.020  1.354
 LKQ  C15  C16  aromatic  1.389  0.020  1.389
 LKQ  N7   C18  aromatic  1.328  0.020  1.328
 LKQ  C16  C17  aromatic  1.385  0.020  1.385
 LKQ  C18  C17  aromatic  1.383  0.020  1.383
 LKQ  C2   H1   single    0.970  0.020  1.090
 LKQ  C2   H2   single    0.970  0.020  1.090
 LKQ  C2   H3   single    0.970  0.020  1.090
 LKQ  C3   H4   single    0.930  0.020  1.080
 LKQ  N6   H5   single    0.860  0.020  1.020
 LKQ  C8   H6   single    0.970  0.020  1.090
 LKQ  C8   H7   single    0.970  0.020  1.090
 LKQ  C8   H8   single    0.970  0.020  1.090
 LKQ  C11  H9   single    0.930  0.020  1.080
 LKQ  C16  H10  single    0.930  0.020  1.080
 LKQ  C20  H11  single    0.970  0.020  1.090
 LKQ  C20  H12  single    0.970  0.020  1.090
 LKQ  C20  H13  single    0.970  0.020  1.090
 LKQ  C21  H14  single    0.930  0.020  1.080
 LKQ  C22  H15  single    0.930  0.020  1.080
 LKQ  C18  H16  single    0.930  0.020  1.080
 LKQ  C17  H17  single    0.930  0.020  1.080
 LKQ  C23  H18  single    0.930  0.020  1.080
 LKQ  N5   H19  single    0.860  0.020  1.020
 LKQ  C6   H20  single    0.930  0.020  1.080
 LKQ  N2   H21  single    0.860  0.020  1.020
 LKQ  C    H22  single    0.970  0.020  1.090
 LKQ  C    H23  single    0.970  0.020  1.090
 LKQ  C    H24  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
 LKQ  O    C1   N    124.41  3.000
 LKQ  N    C1   C4   111.99  3.000
 LKQ  O    C1   C4   123.59  3.000
 LKQ  H3   C2   H2   108.72  3.000
 LKQ  H3   C2   H1   109.03  3.000
 LKQ  H2   C2   H1   108.64  3.000
 LKQ  H3   C2   N1   111.15  3.000
 LKQ  H2   C2   N1   108.87  3.000
 LKQ  H1   C2   N1   110.38  3.000
 LKQ  H4   C3   N1   122.15  3.000
 LKQ  H4   C3   C4   131.01  3.000
 LKQ  N1   C3   C4   106.83  3.000
 LKQ  H5   N6   C14  118.61  3.000
 LKQ  H5   N6   C13  118.11  3.000
 LKQ  C14  N6   C13  123.13  3.000
 LKQ  C6   C7   C9   114.73  3.000
 LKQ  C9   C7   C8   125.29  3.000
 LKQ  C6   C7   C8   119.96  3.000
 LKQ  H8   C8   H7   106.84  3.000
 LKQ  H8   C8   H6   107.59  3.000
 LKQ  H7   C8   H6   107.40  3.000
 LKQ  H8   C8   C7   110.27  3.000
 LKQ  H7   C8   C7   112.55  3.000
 LKQ  H6   C8   C7   111.91  3.000
 LKQ  N4   C9   C10  115.13  3.000
 LKQ  C10  C9   C7   123.91  3.000
 LKQ  N4   C9   C7   120.95  3.000
 LKQ  C24  C10  C11  105.96  3.000
 LKQ  C11  C10  C9   127.71  3.000
 LKQ  C24  C10  C9   126.28  3.000
 LKQ  H9   C11  N5   119.59  3.000
 LKQ  H9   C11  C10  130.24  3.000
 LKQ  N5   C11  C10  110.12  3.000
 LKQ  N5   C12  C24  107.80  3.000
 LKQ  N5   C12  C13  129.57  3.000
 LKQ  C24  C12  C13  122.63  3.000
 LKQ  C21  C13  C12  117.48  3.000
 LKQ  C12  C13  N6   120.09  3.000
 LKQ  C21  C13  N6   122.43  3.000
 LKQ  O1   C14  C15  122.39  3.000
 LKQ  C15  C14  N6   114.34  3.000
 LKQ  O1   C14  N6   123.26  3.000
 LKQ  C19  C15  C16  118.74  3.000
 LKQ  C16  C15  C14  119.75  3.000
 LKQ  C19  C15  C14  121.45  3.000
 LKQ  H10  C16  C17  119.98  3.000
 LKQ  H10  C16  C15  120.52  3.000
 LKQ  C17  C16  C15  119.50  3.000
 LKQ  N7   C19  C20  116.24  3.000
 LKQ  N7   C19  C15  121.09  3.000
 LKQ  C20  C19  C15  122.66  3.000
 LKQ  H13  C20  H12  107.15  3.000
 LKQ  H13  C20  H11  108.26  3.000
 LKQ  H12  C20  H11  108.50  3.000
 LKQ  H13  C20  C19  111.31  3.000
 LKQ  H12  C20  C19  112.03  3.000
 LKQ  H11  C20  C19  109.46  3.000
 LKQ  H14  C21  C22  119.79  3.000
 LKQ  H14  C21  C13  119.45  3.000
 LKQ  C22  C21  C13  120.76  3.000
 LKQ  H15  C22  C23  119.49  3.000
 LKQ  H15  C22  C21  118.90  3.000
 LKQ  C23  C22  C21  121.61  3.000
 LKQ  C23  C24  C12  118.61  3.000
 LKQ  C12  C24  C10  106.52  3.000
 LKQ  C23  C24  C10  134.79  3.000
 LKQ  C18  N7   C19  119.63  3.000
 LKQ  H16  C18  C17  120.37  3.000
 LKQ  H16  C18  N7   116.27  3.000
 LKQ  C17  C18  N7   123.37  3.000
 LKQ  H17  C17  C18  120.85  3.000
 LKQ  H17  C17  C16  121.48  3.000
 LKQ  C18  C17  C16  117.67  3.000
 LKQ  H18  C23  C24  120.53  3.000
 LKQ  H18  C23  C22  120.57  3.000
 LKQ  C24  C23  C22  118.89  3.000
 LKQ  H19  N5   C12  125.97  3.000
 LKQ  H19  N5   C11  124.44  3.000
 LKQ  C12  N5   C11  109.60  3.000
 LKQ  H20  C6   N3   115.96  3.000
 LKQ  H20  C6   C7   119.08  3.000
 LKQ  N3   C6   C7   124.95  3.000
 LKQ  C5   N3   C6   115.29  3.000
 LKQ  C5   N4   C9   118.43  3.000
 LKQ  N2   C5   N4   118.64  3.000
 LKQ  N4   C5   N3   125.64  3.000
 LKQ  N2   C5   N3   115.72  3.000
 LKQ  H21  N2   C4   117.54  3.000
 LKQ  H21  N2   C5   115.63  3.000
 LKQ  C4   N2   C5   126.82  3.000
 LKQ  N2   C4   C3   131.47  3.000
 LKQ  C3   C4   C1   103.60  3.000
 LKQ  N2   C4   C1   124.92  3.000
 LKQ  N    N1   C3   112.56  3.000
 LKQ  C3   N1   C2   127.20  3.000
 LKQ  N    N1   C2   120.05  3.000
 LKQ  N1   N    C1   105.02  3.000
 LKQ  C    O    C1   116.62  3.000
 LKQ  H24  C    H23  108.67  3.000
 LKQ  H24  C    H22  109.27  3.000
 LKQ  H23  C    H22  109.16  3.000
 LKQ  H24  C    O    111.61  3.000
 LKQ  H23  C    O    111.64  3.000
 LKQ  H22  C    O    106.43  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
 LKQ  CONST_01  C3   N1   N    C1      0.00   0.0  0
 LKQ  CONST_02  N1   C3   C4   C1      0.00   0.0  0
 LKQ  CONST_03  N    C1   C4   C3      0.00   0.0  0
 LKQ  CONST_04  C5   N3   C6   C7      0.00   0.0  0
 LKQ  CONST_05  C5   N4   C9   C7      0.00   0.0  0
 LKQ  CONST_08  N3   C5   N4   C9      0.00   0.0  0
 LKQ  CONST_09  N3   C6   C7   C9      0.00   0.0  0
 LKQ  CONST_10  C23  C24  C10  C9      0.00   0.0  0
 LKQ  CONST_11  C12  C24  C10  C9    180.00   0.0  0
 LKQ  CONST_12  N5   C11  C10  C9    180.00   0.0  0
 LKQ  CONST_13  C22  C23  C24  C10   180.00   0.0  0
 LKQ  CONST_14  C13  C12  C24  C10   180.00   0.0  0
 LKQ  CONST_15  N5   C12  C24  C10     0.00   0.0  0
 LKQ  CONST_16  C5   N4   C9   C10   180.00   0.0  0
 LKQ  CONST_17  C6   C7   C9   C10   180.00   0.0  0
 LKQ  CONST_18  C12  N5   C11  C10     0.00   0.0  0
 LKQ  CONST_19  C23  C24  C10  C11   180.00   0.0  0
 LKQ  CONST_20  C12  C24  C10  C11     0.00   0.0  0
 LKQ  CONST_22  C24  C12  N5   C11     0.00   0.0  0
 LKQ  CONST_23  C13  C12  N5   C11   180.00   0.0  0
 LKQ  CONST_24  C22  C23  C24  C12     0.00   0.0  0
 LKQ  CONST_25  C22  C21  C13  C12     0.00   0.0  0
 LKQ  CONST_26  C23  C22  C21  C13     0.00   0.0  0
 LKQ  CONST_27  C23  C24  C12  C13     0.00   0.0  0
 LKQ  CONST_28  C18  N7   C19  C15     0.00   0.0  0
 LKQ  CONST_29  C18  C17  C16  C15     0.00   0.0  0
 LKQ  CONST_30  N7   C19  C15  C16     0.00   0.0  0
 LKQ  CONST_31  N7   C18  C17  C16     0.00   0.0  0
 LKQ  CONST_32  C17  C16  C15  C19     0.00   0.0  0
 LKQ  CONST_33  C17  C18  N7   C19     0.00   0.0  0
 LKQ  CONST_34  C24  C23  C22  C21     0.00   0.0  0
 LKQ  CONST_35  C24  C12  C13  C21     0.00   0.0  0
 LKQ  CONST_36  N5   C12  C13  C21   180.00   0.0  0
 LKQ  CONST_38  N5   C11  C10  C24     0.00   0.0  0
 LKQ  CONST_39  N5   C12  C24  C23   180.00   0.0  0
 LKQ  CONST_40  N4   C5   N3   C6      0.00   0.0  0
 LKQ  CONST_41  N4   C9   C7   C6      0.00   0.0  0
 LKQ  CONST_42  N1   N    C1   C4      0.00   0.0  0
 LKQ  CONST_43  N    N1   C3   C4      0.00   0.0  0
 LKQ  CONST_44  C2   N1   N    C1    180.00   0.0  0
 LKQ  CONST_45  C4   C3   N1   C2    180.00   0.0  0
 LKQ  CONST_46  O    C1   C4   C3    180.00   0.0  0
 LKQ  CONST_47  C22  C21  C13  N6    180.00   0.0  0
 LKQ  CONST_48  C24  C12  C13  N6    180.00   0.0  0
 LKQ  CONST_49  N5   C12  C13  N6      0.00   0.0  0
 LKQ  CONST_50  N3   C6   C7   C8    180.00   0.0  0
 LKQ  CONST_51  N4   C9   C7   C8    180.00   0.0  0
 LKQ  CONST_52  C10  C9   C7   C8      0.00   0.0  0
 LKQ  CONST_53  N2   C5   N4   C9    180.00   0.0  0
 LKQ  CONST_54  N7   C19  C15  C14   180.00   0.0  0
 LKQ  CONST_55  C17  C16  C15  C14   180.00   0.0  0
 LKQ  CONST_56  C20  C19  C15  C16   180.00   0.0  0
 LKQ  CONST_57  C18  N7   C19  C20   180.00   0.0  0
 LKQ  CONST_58  N2   C5   N3   C6    180.00   0.0  0
 LKQ  CONST_59  N    C1   C4   N2    180.00   0.0  0
 LKQ  CONST_60  N1   C3   C4   N2    180.00   0.0  0
 LKQ  CONST_61  O    C1   N    N1    180.00   0.0  0
 LKQ  CONST_62  H4   C3   C4   C1    180.00   0.0  0
 LKQ  CONST_63  H20  C6   C7   C9    180.00   0.0  0
 LKQ  CONST_64  H9   C11  C10  C9      0.00   0.0  0
 LKQ  CONST_65  H18  C23  C24  C10     0.00   0.0  0
 LKQ  CONST_66  H19  N5   C11  C10   180.00   0.0  0
 LKQ  CONST_67  H14  C21  C13  C12   180.00   0.0  0
 LKQ  CONST_68  H15  C22  C21  C13   180.00   0.0  0
 LKQ  CONST_69  H17  C17  C16  C15   180.00   0.0  0
 LKQ  CONST_70  H16  C18  C17  C16   180.00   0.0  0
 LKQ  CONST_71  H10  C16  C15  C19   180.00   0.0  0
 LKQ  CONST_72  C15  C14  N6   C13   180.00   0.0  0
 LKQ  CONST_76  O1   C14  N6   C13     0.00   0.0  0
 LKQ  Var_01    C5   N2   C4   C1    158.68  30.0  2
 LKQ  Var_02    C4   N2   C5   N3   -179.77  30.0  1
 LKQ  Var_03    C19  C15  C14  N6    135.29  30.0  2
 LKQ  Var_04    H1   C2   N1   C3   -129.52  30.0  2
 LKQ  Var_05    H6   C8   C7   C9    -43.93  30.0  2
 LKQ  Var_06    H11  C20  C19  C15  -167.37  30.0  2
 LKQ  Var_07    H22  C    O    C1    179.46  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
 LKQ  plan-1  C1   0.020
 LKQ  plan-1  C2   0.020
 LKQ  plan-1  C3   0.020
 LKQ  plan-1  N2   0.020
 LKQ  plan-1  C4   0.020
 LKQ  plan-1  N1   0.020
 LKQ  plan-1  N    0.020
 LKQ  plan-1  O    0.020
 LKQ  plan-1  H4   0.020
 LKQ  plan-2  C14  0.020
 LKQ  plan-2  C15  0.020
 LKQ  plan-2  C16  0.020
 LKQ  plan-2  C19  0.020
 LKQ  plan-2  C20  0.020
 LKQ  plan-2  N7   0.020
 LKQ  plan-2  C18  0.020
 LKQ  plan-2  C17  0.020
 LKQ  plan-2  H10  0.020
 LKQ  plan-2  H16  0.020
 LKQ  plan-2  H17  0.020
 LKQ  plan-3  C7   0.020
 LKQ  plan-3  C8   0.020
 LKQ  plan-3  C9   0.020
 LKQ  plan-3  C10  0.020
 LKQ  plan-3  C6   0.020
 LKQ  plan-3  N3   0.020
 LKQ  plan-3  N4   0.020
 LKQ  plan-3  C5   0.020
 LKQ  plan-3  N2   0.020
 LKQ  plan-3  H20  0.020
 LKQ  plan-4  N6   0.020
 LKQ  plan-4  C9   0.020
 LKQ  plan-4  C10  0.020
 LKQ  plan-4  C11  0.020
 LKQ  plan-4  C12  0.020
 LKQ  plan-4  C13  0.020
 LKQ  plan-4  C21  0.020
 LKQ  plan-4  C22  0.020
 LKQ  plan-4  C24  0.020
 LKQ  plan-4  C23  0.020
 LKQ  plan-4  N5   0.020
 LKQ  plan-4  H9   0.020
 LKQ  plan-4  H14  0.020
 LKQ  plan-4  H15  0.020
 LKQ  plan-4  H18  0.020
 LKQ  plan-4  H19  0.020
 LKQ  plan-5  N6   0.020
 LKQ  plan-5  C13  0.020
 LKQ  plan-5  C14  0.020
 LKQ  plan-5  C15  0.020
 LKQ  plan-5  O1   0.020
 LKQ  plan-5  H5   0.020

