# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Fri Mar 25 21:13:48 2022
#   Inital geometry file: a 145 line input string
#   Ligand name: N-[3-(acetylamino)-4-methylphenyl]-3-(4-amino-2-methylphenyl)-1-methyl-1H-indazole-5-carboxamide
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: Cn1nc(c2ccc(N)cc2C)c3cc(ccc13)C(=O)Nc4ccc(C)c(NC(C)=O)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
 XWJ  XWJ  N-[3-(acetylamino)-4-methylphenyl]-3-(4-amino-2-methylphenyl)-1-methyl-1H-indazole-5-carboxamide  ligand  57  32  .  2022-03-29  2022-03-29
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as PERFECT
;

data_comp_XWJ
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
 XWJ  C11  C  CH3   0  -0.730   9.2358   -4.3599  40.8431
 XWJ  C18  C  CR56  0   0.456  12.5717   -2.0459  30.8877
 XWJ  N20  N  N     0  -0.265  12.4851   -3.5196  29.2257
 XWJ  C21  C  CR5   0   0.200  12.2487   -4.1924  30.3279
 XWJ  C22  C  CR56  0  -0.101  12.2829   -3.3022  31.4471
 XWJ  C24  C  CR6   0   0.011  12.0059   -5.6375  30.3435
 XWJ  C25  C  CR16  0  -0.306  12.6396   -6.4099  31.3187
 XWJ  C29  C  CR6   0   0.094  11.1588   -6.2838  29.4263
 XWJ  C30  C  CH3   0  -0.737  10.4139   -5.5391  28.3545
 XWJ  C02  C  C     0   0.503   8.5398   -6.9872  39.1035
 XWJ  C05  C  CR6   0   0.308   9.3347   -4.8071  38.3410
 XWJ  C06  C  CR16  0  -0.403   9.8138   -4.4939  37.0773
 XWJ  C07  C  CR6   0   0.372  10.7528   -3.4816  36.8850
 XWJ  C08  C  CR16  0  -0.306  11.2314   -2.8006  38.0039
 XWJ  C09  C  CR16  0  -0.298  10.7372   -3.1250  39.2580
 XWJ  C10  C  CR6   0   0.085   9.7775   -4.1095  39.4689
 XWJ  C13  C  C     0   0.517  12.0343   -2.3203  35.0962
 XWJ  C15  C  CR6   0  -0.060  12.1959   -2.2924  33.6131
 XWJ  C16  C  CR16  0  -0.274  12.5317   -1.0466  33.0300
 XWJ  C17  C  CR16  0  -0.301  12.7077   -0.8976  31.6779
 XWJ  C23  C  CR16  0  -0.387  12.0761   -3.4214  32.8236
 XWJ  C26  C  CR16  0  -0.332  12.4652   -7.7777  31.4044
 XWJ  C27  C  CR6   0   0.323  11.6301   -8.4325  30.4937
 XWJ  C28  C  CR16  0  -0.373  10.9881   -7.6583  29.5196
 XWJ  N04  N  NH1   0  -0.737   8.3521   -5.8164  38.4437
 XWJ  N12  N  NH1   0  -0.760  11.1365   -3.2251  35.5640
 XWJ  N19  N  NR5   0  -0.389  12.6651   -2.2347  29.5545
 XWJ  N31  N  NH2   0  -0.859  11.4803   -9.7987  30.5184
 XWJ  O03  O  O     0  -0.470   9.5701   -7.2502  39.6984
 XWJ  O14  O  O     0  -0.458  12.6610   -1.5554  35.8104
 XWJ  H1   H  HCH3  0   0.248   9.7480   -5.1888  41.3327
 XWJ  H2   H  HCH3  0   0.246   9.3613   -3.4780  41.4703
 XWJ  H3   H  HCH3  0   0.238   8.1742   -4.6067  40.8184
 XWJ  H4   H  HCR6  0   0.250  13.3088   -5.9311  32.0236
 XWJ  H5   H  HCH3  0   0.239   9.9283   -4.6443  28.7445
 XWJ  H6   H  HCH3  0   0.246  11.0788   -5.2129  27.5551
 XWJ  H7   H  HCH3  0   0.243   9.6467   -6.1726  27.9114
 XWJ  H8   H  HCH3  0   0.263   7.7119   -8.9495  38.9423
 XWJ  H9   H  HCH3  0   0.271   6.8526   -7.8820  40.0423
 XWJ  H10  H  HCH3  0   0.251   6.6333   -7.6972  38.3038
 XWJ  H11  H  HCR6  0   0.273   9.4433   -5.0533  36.2252
 XWJ  H12  H  HCR6  0   0.279  11.9622   -2.0154  37.9119
 XWJ  H13  H  HCR6  0   0.251  11.1024   -2.5662  40.1114
 XWJ  H14  H  HCR6  0   0.263  12.6378   -0.1816  33.6705
 XWJ  H15  H  HCR6  0   0.277  12.9439    0.0684  31.2521
 XWJ  H16  H  HCR6  0   0.267  11.8539   -4.3922  33.2506
 XWJ  H17  H  HCR6  0   0.253  12.9802   -8.3419  32.1727
 XWJ  H18  H  HCR6  0   0.248  10.3256   -8.1514  28.8160
 XWJ  H19  H  HCH3  0   0.266  12.5295   -1.5180  27.6179
 XWJ  H20  H  HCH3  0   0.259  12.7261   -0.2797  28.8600
 XWJ  H21  H  HCH3  0   0.255  14.1132   -1.2703  28.3780
 XWJ  H22  H  HNH1  0   0.407   7.5436   -5.7314  37.8467
 XWJ  H23  H  HNH1  0   0.423  10.6161   -3.7428  34.8723
 XWJ  H24  H  HNH2  0   0.380  11.6777  -10.2523  31.3958
 XWJ  H25  H  HNH2  0   0.380  10.6514  -10.1640  30.0776
 XWJ  C32  C  CH3   0  -0.522  13.0362   -1.2737  28.5476
 XWJ  C01  C  CH3   0  -0.780   7.3626   -7.9278  39.0786

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
 XWJ  C30  C29  single    1.503  0.020  1.503
 XWJ  C32  N19  single    1.441  0.020  1.441
 XWJ  C28  C29  aromatic  1.388  0.020  1.388
 XWJ  C28  C27  aromatic  1.400  0.020  1.400
 XWJ  C29  C24  aromatic  1.406  0.020  1.406
 XWJ  N20  N19  aromatic  1.338  0.020  1.338
 XWJ  N20  C21  aromatic  1.313  0.020  1.313
 XWJ  N19  C18  aromatic  1.350  0.020  1.350
 XWJ  N31  C27  single    1.375  0.020  1.375
 XWJ  C27  C26  aromatic  1.398  0.020  1.398
 XWJ  C24  C21  single    1.465  0.020  1.465
 XWJ  C24  C25  aromatic  1.396  0.020  1.396
 XWJ  C21  C22  aromatic  1.430  0.020  1.430
 XWJ  C18  C22  aromatic  1.405  0.020  1.405
 XWJ  C18  C17  aromatic  1.401  0.020  1.401
 XWJ  C26  C25  aromatic  1.382  0.020  1.382
 XWJ  C22  C23  aromatic  1.397  0.020  1.397
 XWJ  C17  C16  aromatic  1.372  0.020  1.372
 XWJ  C23  C15  aromatic  1.383  0.020  1.383
 XWJ  C16  C15  aromatic  1.416  0.020  1.416
 XWJ  C15  C13  single    1.492  0.020  1.492
 XWJ  C13  N12  single    1.358  0.020  1.358
 XWJ  C13  O14  double    1.220  0.020  1.220
 XWJ  N12  C07  single    1.399  0.020  1.399
 XWJ  C07  C06  aromatic  1.394  0.020  1.394
 XWJ  C07  C08  aromatic  1.395  0.020  1.395
 XWJ  C06  C05  aromatic  1.387  0.020  1.387
 XWJ  C08  C09  aromatic  1.386  0.020  1.386
 XWJ  C05  N04  single    1.412  0.020  1.412
 XWJ  C05  C10  aromatic  1.398  0.020  1.398
 XWJ  N04  C02  single    1.357  0.020  1.357
 XWJ  C09  C10  aromatic  1.391  0.020  1.391
 XWJ  C10  C11  single    1.498  0.020  1.498
 XWJ  C02  C01  single    1.507  0.020  1.507
 XWJ  C02  O03  double    1.218  0.020  1.218
 XWJ  C11  H1   single    0.970  0.020  1.090
 XWJ  C11  H2   single    0.970  0.020  1.090
 XWJ  C11  H3   single    0.970  0.020  1.090
 XWJ  C25  H4   single    0.930  0.020  1.080
 XWJ  C30  H5   single    0.970  0.020  1.090
 XWJ  C30  H6   single    0.970  0.020  1.090
 XWJ  C30  H7   single    0.970  0.020  1.090
 XWJ  C01  H8   single    0.970  0.020  1.090
 XWJ  C01  H9   single    0.970  0.020  1.090
 XWJ  C01  H10  single    0.970  0.020  1.090
 XWJ  C06  H11  single    0.930  0.020  1.080
 XWJ  C08  H12  single    0.930  0.020  1.080
 XWJ  C09  H13  single    0.930  0.020  1.080
 XWJ  C16  H14  single    0.930  0.020  1.080
 XWJ  C17  H15  single    0.930  0.020  1.080
 XWJ  C23  H16  single    0.930  0.020  1.080
 XWJ  C26  H17  single    0.930  0.020  1.080
 XWJ  C28  H18  single    0.930  0.020  1.080
 XWJ  C32  H19  single    0.970  0.020  1.090
 XWJ  C32  H20  single    0.970  0.020  1.090
 XWJ  C32  H21  single    0.970  0.020  1.090
 XWJ  N04  H22  single    0.860  0.020  1.020
 XWJ  N12  H23  single    0.860  0.020  1.020
 XWJ  N31  H24  single    0.890  0.020  1.040
 XWJ  N31  H25  single    0.890  0.020  1.040

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
 XWJ  H3   C11  H2   107.97  3.000
 XWJ  H3   C11  H1   107.18  3.000
 XWJ  H2   C11  H1   107.63  3.000
 XWJ  H3   C11  C10  111.66  3.000
 XWJ  H2   C11  C10  110.56  3.000
 XWJ  H1   C11  C10  111.66  3.000
 XWJ  N19  C18  C17  131.71  3.000
 XWJ  C17  C18  C22  121.89  3.000
 XWJ  N19  C18  C22  106.40  3.000
 XWJ  N19  N20  C21  108.06  3.000
 XWJ  C24  C21  C22  127.54  3.000
 XWJ  C22  C21  N20  109.49  3.000
 XWJ  C24  C21  N20  122.97  3.000
 XWJ  C23  C22  C21  135.59  3.000
 XWJ  C23  C22  C18  119.93  3.000
 XWJ  C21  C22  C18  104.47  3.000
 XWJ  C29  C24  C25  118.35  3.000
 XWJ  C25  C24  C21  118.54  3.000
 XWJ  C29  C24  C21  123.11  3.000
 XWJ  H4   C25  C26  118.37  3.000
 XWJ  H4   C25  C24  119.36  3.000
 XWJ  C26  C25  C24  122.26  3.000
 XWJ  C28  C29  C30  118.53  3.000
 XWJ  C28  C29  C24  119.04  3.000
 XWJ  C30  C29  C24  122.43  3.000
 XWJ  H7   C30  H6   107.79  3.000
 XWJ  H7   C30  H5   108.01  3.000
 XWJ  H6   C30  H5   106.76  3.000
 XWJ  H7   C30  C29  110.56  3.000
 XWJ  H6   C30  C29  111.66  3.000
 XWJ  H5   C30  C29  111.86  3.000
 XWJ  O03  C02  N04  122.73  3.000
 XWJ  O03  C02  C01  122.27  3.000
 XWJ  N04  C02  C01  114.99  3.000
 XWJ  N04  C05  C10  121.22  3.000
 XWJ  C10  C05  C06  120.85  3.000
 XWJ  N04  C05  C06  117.90  3.000
 XWJ  H11  C06  C07  119.76  3.000
 XWJ  H11  C06  C05  118.76  3.000
 XWJ  C07  C06  C05  121.48  3.000
 XWJ  N12  C07  C08  125.02  3.000
 XWJ  C08  C07  C06  118.37  3.000
 XWJ  N12  C07  C06  116.61  3.000
 XWJ  H12  C08  C09  119.34  3.000
 XWJ  H12  C08  C07  121.37  3.000
 XWJ  C09  C08  C07  119.28  3.000
 XWJ  H13  C09  C10  118.57  3.000
 XWJ  H13  C09  C08  118.14  3.000
 XWJ  C10  C09  C08  123.28  3.000
 XWJ  C09  C10  C05  116.71  3.000
 XWJ  C09  C10  C11  120.45  3.000
 XWJ  C05  C10  C11  122.82  3.000
 XWJ  O14  C13  N12  123.77  3.000
 XWJ  O14  C13  C15  120.97  3.000
 XWJ  N12  C13  C15  115.25  3.000
 XWJ  C23  C15  C16  120.25  3.000
 XWJ  C16  C15  C13  116.84  3.000
 XWJ  C23  C15  C13  122.88  3.000
 XWJ  H14  C16  C17  118.96  3.000
 XWJ  H14  C16  C15  118.89  3.000
 XWJ  C17  C16  C15  122.14  3.000
 XWJ  H15  C17  C16  120.87  3.000
 XWJ  H15  C17  C18  122.09  3.000
 XWJ  C16  C17  C18  117.04  3.000
 XWJ  H16  C23  C15  121.61  3.000
 XWJ  H16  C23  C22  119.67  3.000
 XWJ  C15  C23  C22  118.69  3.000
 XWJ  H17  C26  C27  120.12  3.000
 XWJ  H17  C26  C25  119.97  3.000
 XWJ  C27  C26  C25  119.90  3.000
 XWJ  N31  C27  C28  120.81  3.000
 XWJ  N31  C27  C26  121.25  3.000
 XWJ  C28  C27  C26  117.90  3.000
 XWJ  H18  C28  C27  118.67  3.000
 XWJ  H18  C28  C29  118.78  3.000
 XWJ  C27  C28  C29  122.54  3.000
 XWJ  H22  N04  C05  117.02  3.000
 XWJ  H22  N04  C02  118.13  3.000
 XWJ  C05  N04  C02  123.76  3.000
 XWJ  H23  N12  C13  116.54  3.000
 XWJ  H23  N12  C07  114.32  3.000
 XWJ  C13  N12  C07  128.95  3.000
 XWJ  C32  N19  N20  120.22  3.000
 XWJ  N20  N19  C18  111.57  3.000
 XWJ  C32  N19  C18  127.94  3.000
 XWJ  H25  N31  H24  112.28  3.000
 XWJ  H25  N31  C27  116.24  3.000
 XWJ  H24  N31  C27  116.22  3.000
 XWJ  H21  C32  H20  108.89  3.000
 XWJ  H21  C32  H19  109.17  3.000
 XWJ  H20  C32  H19  108.57  3.000
 XWJ  H21  C32  N19  111.42  3.000
 XWJ  H20  C32  N19  109.61  3.000
 XWJ  H19  C32  N19  109.14  3.000
 XWJ  H10  C01  H9   107.85  3.000
 XWJ  H10  C01  H8   108.95  3.000
 XWJ  H9   C01  H8   107.46  3.000
 XWJ  H10  C01  C02  113.75  3.000
 XWJ  H9   C01  C02  108.92  3.000
 XWJ  H8   C01  C02  109.71  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
 XWJ  CONST_01  C21  N20  N19  C18     0.00   0.0  0
 XWJ  CONST_02  N20  C21  C22  C18     0.00   0.0  0
 XWJ  CONST_03  C24  C21  C22  C18   180.00   0.0  0
 XWJ  CONST_04  C15  C23  C22  C18     0.00   0.0  0
 XWJ  CONST_05  C15  C16  C17  C18     0.00   0.0  0
 XWJ  CONST_06  C22  C18  N19  N20     0.00   0.0  0
 XWJ  CONST_07  C17  C18  N19  N20   180.00   0.0  0
 XWJ  CONST_10  C23  C22  C21  N20   180.00   0.0  0
 XWJ  CONST_11  C28  C29  C24  C21   180.00   0.0  0
 XWJ  CONST_12  C26  C25  C24  C21   180.00   0.0  0
 XWJ  CONST_13  N19  C18  C22  C21     0.00   0.0  0
 XWJ  CONST_14  C17  C18  C22  C21   180.00   0.0  0
 XWJ  CONST_15  C15  C23  C22  C21   180.00   0.0  0
 XWJ  CONST_16  N19  N20  C21  C22     0.00   0.0  0
 XWJ  CONST_19  C16  C17  C18  C22     0.00   0.0  0
 XWJ  CONST_20  C16  C15  C23  C22     0.00   0.0  0
 XWJ  CONST_21  C27  C28  C29  C24     0.00   0.0  0
 XWJ  CONST_22  N19  N20  C21  C24   180.00   0.0  0
 XWJ  CONST_23  C23  C22  C21  C24     0.00   0.0  0
 XWJ  CONST_24  C27  C26  C25  C24     0.00   0.0  0
 XWJ  CONST_25  C28  C29  C24  C25     0.00   0.0  0
 XWJ  CONST_26  C28  C27  C26  C25     0.00   0.0  0
 XWJ  CONST_27  C26  C27  C28  C29     0.00   0.0  0
 XWJ  CONST_28  C26  C25  C24  C29     0.00   0.0  0
 XWJ  CONST_29  C08  C07  C06  C05     0.00   0.0  0
 XWJ  CONST_30  C08  C09  C10  C05     0.00   0.0  0
 XWJ  CONST_31  C09  C08  C07  C06     0.00   0.0  0
 XWJ  CONST_32  C09  C10  C05  C06     0.00   0.0  0
 XWJ  CONST_33  C10  C05  C06  C07     0.00   0.0  0
 XWJ  CONST_34  C10  C09  C08  C07     0.00   0.0  0
 XWJ  CONST_35  N19  C18  C17  C16   180.00   0.0  0
 XWJ  CONST_36  C23  C22  C18  C17     0.00   0.0  0
 XWJ  CONST_37  C23  C15  C16  C17     0.00   0.0  0
 XWJ  CONST_38  N19  C18  C22  C23   180.00   0.0  0
 XWJ  CONST_39  C06  C05  C10  C11   180.00   0.0  0
 XWJ  CONST_40  C08  C09  C10  C11   180.00   0.0  0
 XWJ  CONST_41  C32  N19  N20  C21   180.00   0.0  0
 XWJ  CONST_42  C30  C29  C24  C21     0.00   0.0  0
 XWJ  CONST_43  C32  N19  C18  C22   180.00   0.0  0
 XWJ  CONST_44  C13  C15  C23  C22   180.00   0.0  0
 XWJ  CONST_45  C30  C29  C24  C25   180.00   0.0  0
 XWJ  CONST_46  N31  C27  C26  C25   180.00   0.0  0
 XWJ  CONST_47  N31  C27  C28  C29   180.00   0.0  0
 XWJ  CONST_48  C27  C28  C29  C30   180.00   0.0  0
 XWJ  CONST_49  N12  C07  C06  C05   180.00   0.0  0
 XWJ  CONST_50  N04  C05  C06  C07   180.00   0.0  0
 XWJ  CONST_51  N12  C07  C08  C09   180.00   0.0  0
 XWJ  CONST_52  N04  C05  C10  C09   180.00   0.0  0
 XWJ  CONST_53  C17  C16  C15  C13   180.00   0.0  0
 XWJ  CONST_54  C32  N19  C18  C17     0.00   0.0  0
 XWJ  CONST_55  H16  C23  C22  C18   180.00   0.0  0
 XWJ  CONST_56  H14  C16  C17  C18   180.00   0.0  0
 XWJ  CONST_57  H4   C25  C24  C21     0.00   0.0  0
 XWJ  CONST_58  H15  C17  C18  C22   180.00   0.0  0
 XWJ  CONST_59  H18  C28  C29  C24   180.00   0.0  0
 XWJ  CONST_60  H17  C26  C25  C24   180.00   0.0  0
 XWJ  CONST_61  H13  C09  C10  C05   180.00   0.0  0
 XWJ  CONST_62  H12  C08  C07  C06   180.00   0.0  0
 XWJ  CONST_63  H11  C06  C07  C08   180.00   0.0  0
 XWJ  CONST_64  C15  C13  N12  C07   180.00   0.0  0
 XWJ  CONST_67  C13  N12  C07  C06   180.00   0.0  0
 XWJ  CONST_68  C13  N12  C07  C08     0.00   0.0  0
 XWJ  CONST_69  H23  N12  C07  C06     0.00   0.0  0
 XWJ  CONST_73  C05  N04  C02  C01   180.00   0.0  0
 XWJ  CONST_74  O03  C02  N04  C05     0.00   0.0  0
 XWJ  CONST_75  O14  C13  N12  C07     0.00   0.0  0
 XWJ  Var_01    N12  C13  C15  C16   149.10  30.0  2
 XWJ  Var_02    H19  C32  N19  C18  -149.61  30.0  2
 XWJ  Var_03    H5   C30  C29  C24   -46.22  30.0  2
 XWJ  Var_04    H1   C11  C10  C05    84.97  30.0  2
 XWJ  Var_05    H8   C01  C02  N04   139.73  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
 XWJ  plan-1  C11  0.020
 XWJ  plan-1  C05  0.020
 XWJ  plan-1  C06  0.020
 XWJ  plan-1  C07  0.020
 XWJ  plan-1  C08  0.020
 XWJ  plan-1  C09  0.020
 XWJ  plan-1  C10  0.020
 XWJ  plan-1  N04  0.020
 XWJ  plan-1  N12  0.020
 XWJ  plan-1  H11  0.020
 XWJ  plan-1  H12  0.020
 XWJ  plan-1  H13  0.020
 XWJ  plan-2  C21  0.020
 XWJ  plan-2  C24  0.020
 XWJ  plan-2  C25  0.020
 XWJ  plan-2  C29  0.020
 XWJ  plan-2  C30  0.020
 XWJ  plan-2  C26  0.020
 XWJ  plan-2  C27  0.020
 XWJ  plan-2  C28  0.020
 XWJ  plan-2  N31  0.020
 XWJ  plan-2  H4   0.020
 XWJ  plan-2  H17  0.020
 XWJ  plan-2  H18  0.020
 XWJ  plan-3  C18  0.020
 XWJ  plan-3  N20  0.020
 XWJ  plan-3  C21  0.020
 XWJ  plan-3  C22  0.020
 XWJ  plan-3  C24  0.020
 XWJ  plan-3  C13  0.020
 XWJ  plan-3  C15  0.020
 XWJ  plan-3  C16  0.020
 XWJ  plan-3  C17  0.020
 XWJ  plan-3  C23  0.020
 XWJ  plan-3  N19  0.020
 XWJ  plan-3  H14  0.020
 XWJ  plan-3  H15  0.020
 XWJ  plan-3  H16  0.020
 XWJ  plan-3  C32  0.020
 XWJ  plan-4  C02  0.020
 XWJ  plan-4  C05  0.020
 XWJ  plan-4  N04  0.020
 XWJ  plan-4  O03  0.020
 XWJ  plan-4  H22  0.020
 XWJ  plan-4  C01  0.020
 XWJ  plan-5  C07  0.020
 XWJ  plan-5  C13  0.020
 XWJ  plan-5  C15  0.020
 XWJ  plan-5  N12  0.020
 XWJ  plan-5  O14  0.020
 XWJ  plan-5  H23  0.020
 XWJ  plan-6  C27  0.020
 XWJ  plan-6  N31  0.020
 XWJ  plan-6  H24  0.020
 XWJ  plan-6  H25  0.020

