# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version 1.18.1-3865-
#   - file written: Wed Jun 17 21:23:52 2020
#   Inital geometry file: a 159 line input string
#   Ligand name: (4~{S})-5-(5-chloranyl-1-methyl-2-oxidanylidene-pyridin-3-yl)-4-(4-chlorophenyl)-2-(2,4-dimethoxypyrimidin-5-yl)-3-propan-2-yl-4~{H}-pyrrolo[3,4-d]imidazol-6-one
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: COc1ncc(c(OC)n1)c2nc3C(=O)N([C@@H](c4ccc(Cl)cc4)c3n2C(C)C)C5=CC(=CN(C)C5=O)Cl
#
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
 9QW  9QW  (4~{S})-5-(5-chloranyl-1-methyl-2-oxidanylidene-pyridin-3-yl)-4-(4-chlorophenyl)-2-(2,4-dimethoxypyrimidin-5-yl)-3-propan-2-yl-4~{H}-pyrrolo[3,4-d]imidazol-6-one  ligand  62  38  .  2021-08-06  2021-08-06  
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as OK
;

data_comp_9QW
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
 9QW  C1   C   CR55  0  -0.062  -0.5110  -1.5071   0.4520
 9QW  C2   C   CR55  0   0.382  -0.4385  -0.1641   0.6071
 9QW  C12  C   CR15  0  -0.214   0.9658   0.3069   0.7605
 9QW  C13  C   CR6   0   0.168   1.4481   1.2891  -0.2749
 9QW  C14  C   CR6   0   0.124   3.0547  -1.0753   0.7018
 9QW  C16  C   CR16  0  -0.313   2.0614   2.4679   0.1207
 9QW  C17  C   CR16  0  -0.198   2.5077   3.3883  -0.8191
 9QW  C18  C   CR6   0  -0.049   2.3390   3.1062  -2.1633
 9QW  C19  C   CR16  0  -0.196   1.7409   1.9245  -2.5817
 9QW  C20  C   CR16  0  -0.290   1.2998   1.0203  -1.6321
 9QW  C21  C   CR6   0   0.571   3.6944  -0.6248   1.9193
 9QW  C23  C   CR16  0   0.082   5.7887  -1.2667   0.9097
 9QW  C24  C   CR6   0  -0.183   5.1741  -1.6990  -0.2198
 9QW  C25  C   CR16  0  -0.091   3.7760  -1.5857  -0.3329
 9QW  C27  C   CR16  0   0.002  -4.6757  -1.3823   1.4982
 9QW  C29  C   CR6   0   0.608  -6.6244  -0.8674   0.5149
 9QW  N3   N   NR5   0  -0.517  -1.7096   0.2927   0.6110
 9QW  C4   C   CR5   0   0.441  -2.4976  -0.8291   0.4571
 9QW  N5   N   N     0  -0.438  -1.7942  -1.9328   0.3600
 9QW  C6   C   CH1   0  -0.136  -2.1766   1.6653   0.8276
 9QW  C7   C   CH3   0  -0.660  -1.6162   2.2186   2.1291
 9QW  C8   C   CH3   0  -0.654  -1.8677   2.5609  -0.3625
 9QW  C9   C   CR6   0  -0.291  -3.9608  -0.7988   0.4748
 9QW  C10  C   CR5   0   0.509   0.8309  -2.0805   0.4648
 9QW  N11  N   NR5   0  -0.613   1.6615  -0.9870   0.6388
 9QW  O15  O   O     0  -0.457   1.1954  -3.2325   0.3585
 9QW  N22  N   NR6   0  -0.514   5.0753  -0.7397   1.9310
 9QW  CL2  CL  CL    0  -0.122   2.8852   4.2447  -3.3488
 9QW  N28  N   N     0  -0.479  -6.0052  -1.4252   1.5362
 9QW  N30  N   N     0  -0.487  -6.0567  -0.2916  -0.5400
 9QW  C31  C   CR6   0   0.575  -4.7452  -0.2636  -0.5660
 9QW  O32  O   O2    0  -0.447  -4.1133   0.2710  -1.5893
 9QW  C33  C   CH3   0  -0.425  -4.8789   0.8346  -2.6545
 9QW  C35  C   CH3   0  -0.518   5.7658  -0.2893   3.1341
 9QW  O36  O   O     0  -0.490   3.1014  -0.1622   2.8876
 9QW  CL3  CL  CL    0  -0.111   6.0994  -2.3637  -1.5155
 9QW  C38  C   CH3   0  -0.417  -8.6590  -1.4468   1.5569
 9QW  H1   H   HCR5  0   0.313   1.1369   0.7156   1.7597
 9QW  H2   H   HCR6  0   0.270   2.1958   2.6829   1.1739
 9QW  H3   H   HCR6  0   0.285   2.9787   4.3082  -0.5012
 9QW  H4   H   HCR6  0   0.285   1.6184   1.7127  -3.6350
 9QW  H5   H   HCR6  0   0.268   0.8292   0.1016  -1.9615
 9QW  H6   H   HCR6  0   0.331   6.8590  -1.3240   1.0441
 9QW  H7   H   HCR6  0   0.302   3.2800  -1.9019  -1.2409
 9QW  H8   H   HCR6  0   0.282  -4.1506  -1.8344   2.3321
 9QW  H9   H   HCH1  0   0.274  -3.2589   1.5889   0.9343
 9QW  H10  H   HCH3  0   0.229  -0.5415   2.3982   2.0702
 9QW  H11  H   HCH3  0   0.257  -2.0908   3.1747   2.3464
 9QW  H12  H   HCH3  0   0.251  -1.8113   1.5467   2.9645
 9QW  H13  H   HCH3  0   0.249  -2.2391   2.1349  -1.2922
 9QW  H14  H   HCH3  0   0.248  -2.3492   3.5275  -0.2150
 9QW  H15  H   HCH3  0   0.236  -0.7982   2.7378  -0.4699
 9QW  H16  H   HCH3  0   0.246  -5.4960   0.0802  -3.1411
 9QW  H17  H   HCH3  0   0.243  -5.5139   1.6458  -2.3005
 9QW  H18  H   HCH3  0   0.256  -4.1521   1.2225  -3.3619
 9QW  H19  H   HCH3  0   0.263   6.8311  -0.4547   3.0110
 9QW  H20  H   HCH3  0   0.268   5.5869   0.7709   3.2978
 9QW  H21  H   HCH3  0   0.268   5.4187  -0.8455   4.0019
 9QW  H22  H   HCH3  0   0.238  -8.4521  -2.5142   1.6316
 9QW  H23  H   HCH3  0   0.238  -8.4207  -0.9707   2.5076
 9QW  H24  H   HCH3  0   0.253  -9.7106  -1.2969   1.3300
 9QW  O34  O   O2    0  -0.441  -7.9434  -0.8507   0.4786

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
 9QW  CL3  C24  single    1.725  0.020  1.725
 9QW  O15  C10  double    1.213  0.020  1.213
 9QW  C24  C25  single    1.407  0.020  1.407
 9QW  C24  C23  double    1.357  0.020  1.357
 9QW  C25  C14  double    1.361  0.020  1.361
 9QW  C23  N22  single    1.353  0.020  1.353
 9QW  C10  N11  single    1.384  0.020  1.384
 9QW  C10  C1   single    1.459  0.020  1.459
 9QW  C14  N11  single    1.397  0.020  1.397
 9QW  C14  C21  single    1.447  0.020  1.447
 9QW  N22  C21  single    1.386  0.020  1.386
 9QW  N22  C35  single    1.458  0.020  1.458
 9QW  N11  C12  single    1.474  0.020  1.474
 9QW  C21  O36  double    1.226  0.020  1.226
 9QW  C1   N5   aromatic  1.355  0.020  1.355
 9QW  C1   C2   aromatic  1.354  0.020  1.354
 9QW  N5   C4   aromatic  1.312  0.020  1.312
 9QW  C20  C19  aromatic  1.383  0.020  1.383
 9QW  C20  C13  aromatic  1.391  0.020  1.391
 9QW  C19  C18  aromatic  1.389  0.020  1.389
 9QW  C4   C9   single    1.464  0.020  1.464
 9QW  C4   N3   aromatic  1.379  0.020  1.379
 9QW  C2   C12  single    1.489  0.020  1.489
 9QW  C2   N3   aromatic  1.351  0.020  1.351
 9QW  O32  C33  single    1.428  0.020  1.428
 9QW  O32  C31  single    1.316  0.020  1.316
 9QW  C12  C13  single    1.506  0.020  1.506
 9QW  C13  C16  aromatic  1.387  0.020  1.387
 9QW  C9   C31  aromatic  1.409  0.020  1.409
 9QW  C9   C27  aromatic  1.378  0.020  1.378
 9QW  C31  N30  aromatic  1.312  0.020  1.312
 9QW  C18  CL2  single    1.732  0.020  1.732
 9QW  C18  C17  aromatic  1.384  0.020  1.384
 9QW  N3   C6   single    1.466  0.020  1.466
 9QW  C27  N28  aromatic  1.331  0.020  1.331
 9QW  N30  C29  aromatic  1.329  0.020  1.329
 9QW  N28  C29  aromatic  1.318  0.020  1.318
 9QW  C29  O34  single    1.320  0.020  1.320
 9QW  C16  C17  aromatic  1.389  0.020  1.389
 9QW  O34  C38  single    1.425  0.020  1.425
 9QW  C8   C6   single    1.521  0.020  1.521
 9QW  C6   C7   single    1.521  0.020  1.521
 9QW  C12  H1   single    0.970  0.020  1.090
 9QW  C16  H2   single    0.930  0.020  1.080
 9QW  C17  H3   single    0.930  0.020  1.080
 9QW  C19  H4   single    0.930  0.020  1.080
 9QW  C20  H5   single    0.930  0.020  1.080
 9QW  C23  H6   single    0.930  0.020  1.080
 9QW  C25  H7   single    0.930  0.020  1.080
 9QW  C27  H8   single    0.930  0.020  1.080
 9QW  C6   H9   single    0.970  0.020  1.090
 9QW  C7   H10  single    0.970  0.020  1.090
 9QW  C7   H11  single    0.970  0.020  1.090
 9QW  C7   H12  single    0.970  0.020  1.090
 9QW  C8   H13  single    0.970  0.020  1.090
 9QW  C8   H14  single    0.970  0.020  1.090
 9QW  C8   H15  single    0.970  0.020  1.090
 9QW  C33  H16  single    0.970  0.020  1.090
 9QW  C33  H17  single    0.970  0.020  1.090
 9QW  C33  H18  single    0.970  0.020  1.090
 9QW  C35  H19  single    0.970  0.020  1.090
 9QW  C35  H20  single    0.970  0.020  1.090
 9QW  C35  H21  single    0.970  0.020  1.090
 9QW  C38  H22  single    0.970  0.020  1.090
 9QW  C38  H23  single    0.970  0.020  1.090
 9QW  C38  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
 9QW  C10  C1   N5   138.41  3.000
 9QW  N5   C1   C2   111.73  3.000
 9QW  C10  C1   C2   109.84  3.000
 9QW  N3   C2   C12  141.28  3.000
 9QW  N3   C2   C1   106.58  3.000
 9QW  C12  C2   C1   112.09  3.000
 9QW  H1   C12  N11  109.25  3.000
 9QW  H1   C12  C13  109.54  3.000
 9QW  N11  C12  C13  111.37  3.000
 9QW  H1   C12  C2   111.11  3.000
 9QW  C13  C12  C2   115.93  3.000
 9QW  N11  C12  C2    99.14  3.000
 9QW  C20  C13  C16  119.31  3.000
 9QW  C16  C13  C12  119.99  3.000
 9QW  C20  C13  C12  120.69  3.000
 9QW  N11  C14  C25  121.20  3.000
 9QW  N11  C14  C21  117.31  3.000
 9QW  C25  C14  C21  121.48  3.000
 9QW  H2   C16  C17  119.11  3.000
 9QW  H2   C16  C13  120.06  3.000
 9QW  C17  C16  C13  120.83  3.000
 9QW  H3   C17  C18  120.80  3.000
 9QW  H3   C17  C16  120.31  3.000
 9QW  C18  C17  C16  118.88  3.000
 9QW  CL2  C18  C19  119.27  3.000
 9QW  CL2  C18  C17  119.50  3.000
 9QW  C19  C18  C17  121.23  3.000
 9QW  H4   C19  C20  120.30  3.000
 9QW  H4   C19  C18  120.58  3.000
 9QW  C20  C19  C18  119.12  3.000
 9QW  H5   C20  C19  118.94  3.000
 9QW  H5   C20  C13  120.43  3.000
 9QW  C19  C20  C13  120.62  3.000
 9QW  O36  C21  N22  120.44  3.000
 9QW  O36  C21  C14  124.61  3.000
 9QW  N22  C21  C14  114.94  3.000
 9QW  H6   C23  N22  116.69  3.000
 9QW  H6   C23  C24  122.39  3.000
 9QW  N22  C23  C24  120.92  3.000
 9QW  CL3  C24  C25  120.23  3.000
 9QW  C25  C24  C23  119.43  3.000
 9QW  CL3  C24  C23  120.33  3.000
 9QW  H7   C25  C24  119.96  3.000
 9QW  H7   C25  C14  120.32  3.000
 9QW  C24  C25  C14  119.72  3.000
 9QW  H8   C27  N28  116.65  3.000
 9QW  H8   C27  C9   119.77  3.000
 9QW  N28  C27  C9   123.58  3.000
 9QW  O34  C29  N30  113.55  3.000
 9QW  O34  C29  N28  119.75  3.000
 9QW  N30  C29  N28  126.69  3.000
 9QW  C6   N3   C4   126.58  3.000
 9QW  C6   N3   C2   128.09  3.000
 9QW  C4   N3   C2   105.20  3.000
 9QW  C9   C4   N5   123.65  3.000
 9QW  C9   C4   N3   123.56  3.000
 9QW  N5   C4   N3   112.71  3.000
 9QW  C4   N5   C1   103.78  3.000
 9QW  H9   C6   C8   108.63  3.000
 9QW  H9   C6   C7   107.91  3.000
 9QW  C8   C6   C7   112.36  3.000
 9QW  H9   C6   N3   105.38  3.000
 9QW  C7   C6   N3   110.46  3.000
 9QW  C8   C6   N3   111.78  3.000
 9QW  H12  C7   H11  108.07  3.000
 9QW  H12  C7   H10  108.62  3.000
 9QW  H11  C7   H10  107.18  3.000
 9QW  H12  C7   C6   111.45  3.000
 9QW  H11  C7   C6   109.23  3.000
 9QW  H10  C7   C6   112.12  3.000
 9QW  H15  C8   H14  107.65  3.000
 9QW  H15  C8   H13  108.33  3.000
 9QW  H14  C8   H13  108.18  3.000
 9QW  H15  C8   C6   111.84  3.000
 9QW  H14  C8   C6   109.06  3.000
 9QW  H13  C8   C6   111.63  3.000
 9QW  C31  C9   C4   123.75  3.000
 9QW  C31  C9   C27  114.88  3.000
 9QW  C4   C9   C27  121.26  3.000
 9QW  O15  C10  N11  125.52  3.000
 9QW  N11  C10  C1   104.04  3.000
 9QW  O15  C10  C1   130.44  3.000
 9QW  C10  N11  C14  123.64  3.000
 9QW  C14  N11  C12  121.49  3.000
 9QW  C10  N11  C12  114.87  3.000
 9QW  C35  N22  C23  119.57  3.000
 9QW  C35  N22  C21  116.94  3.000
 9QW  C23  N22  C21  123.47  3.000
 9QW  C29  N28  C27  115.70  3.000
 9QW  C31  N30  C29  116.87  3.000
 9QW  O32  C31  N30  120.27  3.000
 9QW  N30  C31  C9   122.26  3.000
 9QW  O32  C31  C9   117.48  3.000
 9QW  C33  O32  C31  118.88  3.000
 9QW  H18  C33  H17  109.63  3.000
 9QW  H18  C33  H16  109.60  3.000
 9QW  H17  C33  H16  109.31  3.000
 9QW  H18  C33  O32  105.56  3.000
 9QW  H17  C33  O32  111.35  3.000
 9QW  H16  C33  O32  111.32  3.000
 9QW  H21  C35  H20  109.02  3.000
 9QW  H21  C35  H19  109.02  3.000
 9QW  H20  C35  H19  109.09  3.000
 9QW  H21  C35  N22  110.45  3.000
 9QW  H20  C35  N22  110.32  3.000
 9QW  H19  C35  N22  108.91  3.000
 9QW  H24  C38  H23  109.49  3.000
 9QW  H24  C38  H22  109.48  3.000
 9QW  H23  C38  H22  109.07  3.000
 9QW  H24  C38  O34  105.69  3.000
 9QW  H23  C38  O34  111.56  3.000
 9QW  H22  C38  O34  111.49  3.000
 9QW  C38  O34  C29  118.42  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
 9QW  CONST_01  C9   C4   N5   C1    180.00   0.0  0
 9QW  CONST_02  N3   C4   N5   C1      0.00   0.0  0
 9QW  CONST_03  C4   N3   C2   C1      0.00   0.0  0
 9QW  CONST_04  C4   N5   C1   C2      0.00   0.0  0
 9QW  CONST_05  N5   C4   N3   C2      0.00   0.0  0
 9QW  CONST_06  C9   C4   N3   C2    180.00   0.0  0
 9QW  CONST_07  C18  C19  C20  C13     0.00   0.0  0
 9QW  CONST_08  C18  C17  C16  C13     0.00   0.0  0
 9QW  CONST_09  C19  C20  C13  C16     0.00   0.0  0
 9QW  CONST_10  C19  C18  C17  C16     0.00   0.0  0
 9QW  CONST_11  C20  C19  C18  C17     0.00   0.0  0
 9QW  CONST_12  C20  C13  C16  C17     0.00   0.0  0
 9QW  CONST_15  N30  C31  C9   C27     0.00   0.0  0
 9QW  CONST_16  N30  C29  N28  C27     0.00   0.0  0
 9QW  CONST_17  C9   C31  N30  C29     0.00   0.0  0
 9QW  CONST_18  C9   C27  N28  C29     0.00   0.0  0
 9QW  CONST_20  N5   C1   C2   N3      0.00   0.0  0
 9QW  CONST_21  N30  C31  C9   C4    180.00   0.0  0
 9QW  CONST_22  N28  C27  C9   C4    180.00   0.0  0
 9QW  CONST_24  C31  C9   C27  N28     0.00   0.0  0
 9QW  CONST_25  C31  N30  C29  N28     0.00   0.0  0
 9QW  CONST_26  C19  C20  C13  C12   180.00   0.0  0
 9QW  CONST_27  C17  C16  C13  C12   180.00   0.0  0
 9QW  CONST_28  C14  N11  C10  C1    180.00   0.0  0
 9QW  CONST_29  C12  N11  C10  C1      0.00   0.0  0
 9QW  CONST_30  C23  N22  C21  C14     0.00   0.0  0
 9QW  CONST_31  C6   N3   C2   C1    180.00   0.0  0
 9QW  CONST_32  C6   N3   C2   C12     0.00   0.0  0
 9QW  CONST_33  CL2  C18  C17  C16   180.00   0.0  0
 9QW  CONST_34  CL2  C18  C19  C20   180.00   0.0  0
 9QW  CONST_35  O32  C31  C9   C27   180.00   0.0  0
 9QW  CONST_36  O34  C29  N28  C27   180.00   0.0  0
 9QW  CONST_37  O32  C31  N30  C29   180.00   0.0  0
 9QW  CONST_38  O32  C31  C9   C4      0.00   0.0  0
 9QW  CONST_39  C6   N3   C4   N5    180.00   0.0  0
 9QW  CONST_40  C9   C4   N3   C6      0.00   0.0  0
 9QW  CONST_41  O34  C29  N30  C31   180.00   0.0  0
 9QW  CONST_42  O15  C10  N11  C12   180.00   0.0  0
 9QW  CONST_43  O15  C10  N11  C14     0.00   0.0  0
 9QW  CONST_44  C35  N22  C21  C14   180.00   0.0  0
 9QW  CONST_45  O36  C21  N22  C23   180.00   0.0  0
 9QW  CONST_46  H5   C20  C13  C12     0.00   0.0  0
 9QW  CONST_47  H2   C16  C13  C12     0.00   0.0  0
 9QW  CONST_48  H4   C19  C20  C13   180.00   0.0  0
 9QW  CONST_49  H3   C17  C16  C13   180.00   0.0  0
 9QW  CONST_50  H8   C27  N28  C29   180.00   0.0  0
 9QW  CONST_51  O36  C21  N22  C35     0.00   0.0  0
 9QW  Var_01    C25  C14  N11  C12  -120.63  30.0  3
 9QW  Var_02    C8   C6   N3   C2     72.23  30.0  2
 9QW  Var_03    H19  C35  N22  C21   178.94  30.0  3
 9QW  Var_04    H22  C38  O34  C29   -62.46  30.0  3
 9QW  Var_05    H13  C8   C6   N3     52.88  30.0  3
 9QW  Var_06    H10  C7   C6   N3     69.83  30.0  3
 9QW  Var_07    H16  C33  O32  C31   -62.11  30.0  3

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
 9QW  chir_01  C12  N11  C2  C13  positiv

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
 9QW  plan-1  C12  0.020
 9QW  plan-1  C13  0.020
 9QW  plan-1  C16  0.020
 9QW  plan-1  C17  0.020
 9QW  plan-1  C18  0.020
 9QW  plan-1  C19  0.020
 9QW  plan-1  C20  0.020
 9QW  plan-1  CL2  0.020
 9QW  plan-1  H2   0.020
 9QW  plan-1  H3   0.020
 9QW  plan-1  H4   0.020
 9QW  plan-1  H5   0.020
 9QW  plan-2  C14  0.020
 9QW  plan-2  C21  0.020
 9QW  plan-2  C23  0.020
 9QW  plan-2  C24  0.020
 9QW  plan-2  C25  0.020
 9QW  plan-2  N11  0.020
 9QW  plan-2  N22  0.020
 9QW  plan-2  C35  0.020
 9QW  plan-2  O36  0.020
 9QW  plan-2  CL3  0.020
 9QW  plan-2  H6   0.020
 9QW  plan-2  H7   0.020
 9QW  plan-3  C27  0.020
 9QW  plan-3  C29  0.020
 9QW  plan-3  C4   0.020
 9QW  plan-3  C9   0.020
 9QW  plan-3  N28  0.020
 9QW  plan-3  N30  0.020
 9QW  plan-3  C31  0.020
 9QW  plan-3  O32  0.020
 9QW  plan-3  H8   0.020
 9QW  plan-3  O34  0.020
 9QW  plan-4  C1   0.020
 9QW  plan-4  C2   0.020
 9QW  plan-4  C12  0.020
 9QW  plan-4  C14  0.020
 9QW  plan-4  N3   0.020
 9QW  plan-4  C4   0.020
 9QW  plan-4  N5   0.020
 9QW  plan-4  C6   0.020
 9QW  plan-4  C9   0.020
 9QW  plan-4  C10  0.020
 9QW  plan-4  N11  0.020
 9QW  plan-4  O15  0.020

