# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Sat Apr 11 20:50:50 2020
#   Inital geometry file: a 137 line input string
#   Ligand name: N~2~-cyclopentyl-6,7-dimethoxy-N~2~-methyl-N~4~-(1-methylpiperidin-4-yl)quinazoline-2,4-diamine
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: COc1cc2nc(nc(NC3CCN(C)CC3)c2cc1OC)N(C)C4CCCC4
#
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
 9HG  9HG  N~2~-cyclopentyl-6,7-dimethoxy-N~2~-methyl-N~4~-(1-methylpiperidin-4-yl)quinazoline-2,4-diamine  ligand  62  29  .  2022-03-11  2022-03-11
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as OK
;

data_comp_9HG
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
 9HG  C4   C  CR66  0   0.264  -1.8715   0.4416   0.0332
 9HG  C5   C  CR66  0  -0.051  -0.7605   1.2907  -0.0914
 9HG  C6   C  CR6   0   0.529   0.5078   0.6226  -0.1761
 9HG  C7   C  CH2   0  -0.446  -1.6582  -6.0700   0.5530
 9HG  C8   C  CH2   0  -0.451  -1.6737  -4.4880  -1.2317
 9HG  N1   N  N     0  -0.529   0.5872  -0.6903  -0.1408
 9HG  C3   C  CH2   0  -0.446  -2.3741  -5.7569  -0.7612
 9HG  N3   N  N     0  -0.556  -1.7689  -0.9045   0.0702
 9HG  C1   C  CH3   0  -0.528   0.9479  -3.3077  -0.1217
 9HG  C2   C  CR6   0   0.608  -0.5493  -1.4033  -0.0190
 9HG  CAB  C  CH3   0  -0.438  -5.6718   2.2427   0.3202
 9HG  CAC  C  CH3   0  -0.441  -1.3875   5.4636  -0.1492
 9HG  CAE  C  CR16  0  -0.484  -3.1579   1.0246   0.1246
 9HG  CAF  C  CR16  0  -0.470  -0.9399   2.6911  -0.1309
 9HG  CAJ  C  CH2   0  -0.469  -1.4615  -4.6974   1.2098
 9HG  CAK  C  CR15  0  -0.087  -1.5074  -3.6600   0.0549
 9HG  CAL  C  CH2   0  -0.434   3.4740   0.3752   1.0716
 9HG  CAM  C  CH2   0  -0.453   3.9516   1.6583  -1.0123
 9HG  CAN  C  CH2   0  -0.284   4.8900  -0.1751   0.9990
 9HG  CAO  C  CH2   0  -0.279   5.3503   1.0618  -0.9987
 9HG  CAW  C  CR6   0   0.333  -3.3234   2.3858   0.0910
 9HG  CAX  C  CR6   0   0.322  -2.1887   3.2433  -0.0391
 9HG  CBB  C  CH1   0  -0.057   2.9668   0.7208  -0.3264
 9HG  NAR  N  NT    0  -0.502  -0.3793  -2.7501   0.0241
 9HG  NAS  N  NH1   0  -0.686   1.6477   1.3191  -0.3134
 9HG  NBC  N  NT    0  -0.409   5.7854   0.7649   0.3519
 9HG  OAT  O  O2    0  -0.457  -4.4990   3.0203   0.1734
 9HG  OAU  O  O2    0  -0.467  -2.4692   4.5611  -0.0581
 9HG  H2   H  HCH2  0   0.220  -0.6889  -6.5274   0.3346
 9HG  H3   H  HCH2  0   0.227  -0.6963  -4.7477  -1.6502
 9HG  H4   H  HCH2  0   0.236  -2.2211  -3.9397  -2.0002
 9HG  H5   H  HCH2  0   0.232  -2.3177  -6.5710  -1.4852
 9HG  H6   H  HCH2  0   0.219  -3.4340  -5.5585  -0.5756
 9HG  H7   H  HCH3  0   0.230   1.3677  -3.1358  -1.1153
 9HG  H8   H  HCH3  0   0.244   1.6428  -2.8904   0.6055
 9HG  H9   H  HCH3  0   0.237   0.8987  -4.3826   0.0386
 9HG  H10  H  HCH3  0   0.263  -6.5025   2.9423   0.3615
 9HG  H11  H  HCH3  0   0.231  -5.8196   1.5674  -0.5259
 9HG  H12  H  HCH3  0   0.232  -5.6556   1.6563   1.2422
 9HG  H13  H  HCH3  0   0.261  -1.8133   6.4632  -0.1123
 9HG  H14  H  HCH3  0   0.227  -0.6873   5.3466   0.6829
 9HG  H15  H  HCH3  0   0.227  -0.8371   5.3513  -1.0879
 9HG  H16  H  HCH3  0   0.231   7.8120   1.0567  -0.0579
 9HG  H17  H  HCH3  0   0.231   7.4747   0.1369   1.4076
 9HG  H18  H  HCH3  0   0.189   7.3115  -0.6363  -0.1763
 9HG  H19  H  HCR6  0   0.275  -4.0011   0.3541   0.2212
 9HG  H20  H  HCR6  0   0.273  -0.0828   3.3429  -0.2317
 9HG  H21  H  HCH2  0   0.240  -2.2682  -4.4919   1.9157
 9HG  H22  H  HCH2  0   0.240  -0.5333  -4.6410   1.7809
 9HG  H23  H  HCR5  0   0.270  -2.3915  -3.0402   0.1780
 9HG  H24  H  HCH2  0   0.243   2.8171  -0.3628   1.5355
 9HG  H25  H  HCH2  0   0.217   3.4584   1.2732   1.6966
 9HG  H26  H  HCH2  0   0.224   3.9684   2.6236  -0.4955
 9HG  H27  H  HCH2  0   0.245   3.6426   1.8451  -2.0432
 9HG  H28  H  HCH2  0   0.236   5.2604  -0.3757   2.0073
 9HG  H29  H  HCH2  0   0.185   4.8735  -1.1474   0.4722
 9HG  H30  H  HCH2  0   0.188   5.3651   0.1584  -1.6349
 9HG  H31  H  HCH2  0   0.238   6.0512   1.7704  -1.4465
 9HG  H32  H  HCH1  0   0.239   2.9064  -0.2044  -0.9064
 9HG  H33  H  HNH1  0   0.401   1.6098   2.3209  -0.2284
 9HG  H1   H  HCH2  0   0.232  -2.2083  -6.7672   1.1862
 9HG  CAD  C  CH3   0  -0.516   7.1538   0.3030   0.3777

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
 9HG  C3   C8   single    1.524  0.020  1.524
 9HG  C3   C7   single    1.529  0.020  1.529
 9HG  C8   CAK  single    1.539  0.020  1.539
 9HG  C7   CAJ  single    1.534  0.020  1.534
 9HG  C1   NAR  single    1.447  0.020  1.447
 9HG  CAK  CAJ  single    1.553  0.020  1.553
 9HG  CAK  NAR  single    1.450  0.020  1.450
 9HG  NAR  C2   single    1.358  0.020  1.358
 9HG  C2   N1   aromatic  1.347  0.020  1.347
 9HG  C2   N3   aromatic  1.321  0.020  1.321
 9HG  CAO  CAM  single    1.521  0.020  1.521
 9HG  CAO  NBC  single    1.450  0.020  1.450
 9HG  N1   C6   aromatic  1.316  0.020  1.316
 9HG  N3   C4   aromatic  1.351  0.020  1.351
 9HG  CAD  NBC  single    1.445  0.020  1.445
 9HG  CAM  CBB  single    1.523  0.020  1.523
 9HG  NBC  CAN  single    1.451  0.020  1.451
 9HG  CBB  NAS  single    1.449  0.020  1.449
 9HG  CBB  CAL  single    1.527  0.020  1.527
 9HG  C6   NAS  single    1.343  0.020  1.343
 9HG  C6   C5   aromatic  1.436  0.020  1.436
 9HG  C4   CAE  aromatic  1.415  0.020  1.415
 9HG  C4   C5   aromatic  1.404  0.020  1.404
 9HG  CAN  CAL  single    1.521  0.020  1.521
 9HG  CAE  CAW  aromatic  1.372  0.020  1.372
 9HG  C5   CAF  aromatic  1.412  0.020  1.412
 9HG  CAW  CAX  aromatic  1.428  0.020  1.428
 9HG  CAW  OAT  single    1.338  0.020  1.338
 9HG  CAB  OAT  single    1.415  0.020  1.415
 9HG  CAF  CAX  aromatic  1.369  0.020  1.369
 9HG  CAX  OAU  single    1.347  0.020  1.347
 9HG  OAU  CAC  single    1.412  0.020  1.412
 9HG  C7   H1   single    0.970  0.020  1.090
 9HG  C7   H2   single    0.970  0.020  1.090
 9HG  C8   H3   single    0.970  0.020  1.090
 9HG  C8   H4   single    0.970  0.020  1.090
 9HG  C3   H5   single    0.970  0.020  1.090
 9HG  C3   H6   single    0.970  0.020  1.090
 9HG  C1   H7   single    0.970  0.020  1.090
 9HG  C1   H8   single    0.970  0.020  1.090
 9HG  C1   H9   single    0.970  0.020  1.090
 9HG  CAB  H10  single    0.970  0.020  1.090
 9HG  CAB  H11  single    0.970  0.020  1.090
 9HG  CAB  H12  single    0.970  0.020  1.090
 9HG  CAC  H13  single    0.970  0.020  1.090
 9HG  CAC  H14  single    0.970  0.020  1.090
 9HG  CAC  H15  single    0.970  0.020  1.090
 9HG  CAD  H16  single    0.970  0.020  1.090
 9HG  CAD  H17  single    0.970  0.020  1.090
 9HG  CAD  H18  single    0.970  0.020  1.090
 9HG  CAE  H19  single    0.930  0.020  1.080
 9HG  CAF  H20  single    0.930  0.020  1.080
 9HG  CAJ  H21  single    0.970  0.020  1.090
 9HG  CAJ  H22  single    0.970  0.020  1.090
 9HG  CAK  H23  single    0.970  0.020  1.090
 9HG  CAL  H24  single    0.970  0.020  1.090
 9HG  CAL  H25  single    0.970  0.020  1.090
 9HG  CAM  H26  single    0.970  0.020  1.090
 9HG  CAM  H27  single    0.970  0.020  1.090
 9HG  CAN  H28  single    0.970  0.020  1.090
 9HG  CAN  H29  single    0.970  0.020  1.090
 9HG  CAO  H30  single    0.970  0.020  1.090
 9HG  CAO  H31  single    0.970  0.020  1.090
 9HG  CBB  H32  single    0.970  0.020  1.090
 9HG  NAS  H33  single    0.860  0.020  1.020

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
 9HG  CAE  C4   N3   118.54  3.000
 9HG  CAE  C4   C5   118.42  3.000
 9HG  N3   C4   C5   123.03  3.000
 9HG  CAF  C5   C6   124.88  3.000
 9HG  CAF  C5   C4   120.11  3.000
 9HG  C6   C5   C4   115.01  3.000
 9HG  NAS  C6   N1   117.97  3.000
 9HG  NAS  C6   C5   120.96  3.000
 9HG  N1   C6   C5   121.06  3.000
 9HG  H2   C7   H1   107.19  3.000
 9HG  H2   C7   CAJ  110.23  3.000
 9HG  H1   C7   CAJ  112.83  3.000
 9HG  H2   C7   C3   109.20  3.000
 9HG  H1   C7   C3   113.19  3.000
 9HG  CAJ  C7   C3   104.17  3.000
 9HG  H4   C8   H3   107.33  3.000
 9HG  H4   C8   CAK  111.88  3.000
 9HG  H3   C8   CAK  110.54  3.000
 9HG  H4   C8   C3   113.90  3.000
 9HG  H3   C8   C3   109.32  3.000
 9HG  CAK  C8   C3   103.86  3.000
 9HG  C2   N1   C6   118.66  3.000
 9HG  H6   C3   H5   107.34  3.000
 9HG  H6   C3   C8   110.28  3.000
 9HG  H5   C3   C8   113.13  3.000
 9HG  H6   C3   C7   110.18  3.000
 9HG  H5   C3   C7   113.16  3.000
 9HG  C8   C3   C7   102.75  3.000
 9HG  C2   N3   C4   116.41  3.000
 9HG  H9   C1   H8   108.00  3.000
 9HG  H9   C1   H7   107.87  3.000
 9HG  H8   C1   H7   107.57  3.000
 9HG  H9   C1   NAR  108.93  3.000
 9HG  H8   C1   NAR  111.74  3.000
 9HG  H7   C1   NAR  112.55  3.000
 9HG  NAR  C2   N3   119.21  3.000
 9HG  N3   C2   N1   125.82  3.000
 9HG  NAR  C2   N1   114.97  3.000
 9HG  H12  CAB  H11  108.89  3.000
 9HG  H12  CAB  H10  108.94  3.000
 9HG  H11  CAB  H10  108.89  3.000
 9HG  H12  CAB  OAT  111.73  3.000
 9HG  H11  CAB  OAT  111.81  3.000
 9HG  H10  CAB  OAT  106.49  3.000
 9HG  H15  CAC  H14  108.65  3.000
 9HG  H15  CAC  H13  108.70  3.000
 9HG  H14  CAC  H13  108.87  3.000
 9HG  H15  CAC  OAU  112.04  3.000
 9HG  H14  CAC  OAU  111.90  3.000
 9HG  H13  CAC  OAU  106.59  3.000
 9HG  H19  CAE  CAW  121.55  3.000
 9HG  H19  CAE  C4   117.32  3.000
 9HG  CAW  CAE  C4   121.12  3.000
 9HG  H20  CAF  CAX  119.09  3.000
 9HG  H20  CAF  C5   119.97  3.000
 9HG  CAX  CAF  C5   120.94  3.000
 9HG  H22  CAJ  H21  106.29  3.000
 9HG  H22  CAJ  CAK  112.32  3.000
 9HG  H21  CAJ  CAK  109.47  3.000
 9HG  H22  CAJ  C7   112.29  3.000
 9HG  H21  CAJ  C7   110.52  3.000
 9HG  CAK  CAJ  C7   105.99  3.000
 9HG  H23  CAK  NAR  106.11  3.000
 9HG  H23  CAK  CAJ  108.71  3.000
 9HG  NAR  CAK  CAJ  114.34  3.000
 9HG  H23  CAK  C8   108.28  3.000
 9HG  NAR  CAK  C8   113.83  3.000
 9HG  CAJ  CAK  C8   105.40  3.000
 9HG  H25  CAL  H24  107.67  3.000
 9HG  H25  CAL  CBB  109.43  3.000
 9HG  H24  CAL  CBB  110.02  3.000
 9HG  H25  CAL  CAN  109.72  3.000
 9HG  H24  CAL  CAN  109.63  3.000
 9HG  CBB  CAL  CAN  110.33  3.000
 9HG  H27  CAM  H26  107.40  3.000
 9HG  H27  CAM  CBB  110.33  3.000
 9HG  H26  CAM  CBB  109.88  3.000
 9HG  H27  CAM  CAO  109.61  3.000
 9HG  H26  CAM  CAO  109.11  3.000
 9HG  CBB  CAM  CAO  110.44  3.000
 9HG  H29  CAN  H28  106.45  3.000
 9HG  H29  CAN  NBC  111.50  3.000
 9HG  H28  CAN  NBC  108.75  3.000
 9HG  H29  CAN  CAL  109.08  3.000
 9HG  H28  CAN  CAL  109.75  3.000
 9HG  NBC  CAN  CAL  111.20  3.000
 9HG  H31  CAO  H30  106.60  3.000
 9HG  H31  CAO  NBC  108.79  3.000
 9HG  H30  CAO  NBC  111.40  3.000
 9HG  H31  CAO  CAM  109.39  3.000
 9HG  H30  CAO  CAM  109.14  3.000
 9HG  NBC  CAO  CAM  111.39  3.000
 9HG  OAT  CAW  CAX  114.76  3.000
 9HG  OAT  CAW  CAE  125.10  3.000
 9HG  CAX  CAW  CAE  120.14  3.000
 9HG  OAU  CAX  CAW  115.03  3.000
 9HG  OAU  CAX  CAF  125.71  3.000
 9HG  CAW  CAX  CAF  119.26  3.000
 9HG  H32  CBB  NAS  107.69  3.000
 9HG  H32  CBB  CAM  108.52  3.000
 9HG  NAS  CBB  CAM  109.79  3.000
 9HG  H32  CBB  CAL  108.21  3.000
 9HG  NAS  CBB  CAL  112.82  3.000
 9HG  CAM  CBB  CAL  109.69  3.000
 9HG  CAK  NAR  C2   121.71  3.000
 9HG  C2   NAR  C1   119.59  3.000
 9HG  CAK  NAR  C1   118.30  3.000
 9HG  H33  NAS  CBB  116.51  3.000
 9HG  H33  NAS  C6   118.42  3.000
 9HG  CBB  NAS  C6   124.03  3.000
 9HG  CAO  NBC  CAN  111.29  3.000
 9HG  CAN  NBC  CAD  111.69  3.000
 9HG  CAO  NBC  CAD  111.50  3.000
 9HG  CAW  OAT  CAB  118.29  3.000
 9HG  CAX  OAU  CAC  117.82  3.000
 9HG  H18  CAD  H17  107.62  3.000
 9HG  H18  CAD  H16  107.57  3.000
 9HG  H17  CAD  H16  107.72  3.000
 9HG  H18  CAD  NBC  113.52  3.000
 9HG  H17  CAD  NBC  110.12  3.000
 9HG  H16  CAD  NBC  110.08  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
 9HG  CONST_01  N1   C2   N3   C4      0.00   0.0  0
 9HG  CONST_02  CAX  CAW  CAE  C4      0.00   0.0  0
 9HG  CONST_03  N1   C6   C5   C4      0.00   0.0  0
 9HG  CONST_04  CAX  CAF  C5   C4      0.00   0.0  0
 9HG  CONST_05  C2   N1   C6   C5      0.00   0.0  0
 9HG  CONST_06  C2   N3   C4   C5      0.00   0.0  0
 9HG  CONST_07  CAW  CAE  C4   C5      0.00   0.0  0
 9HG  CONST_08  CAW  CAX  CAF  C5      0.00   0.0  0
 9HG  CONST_09  N3   C2   N1   C6      0.00   0.0  0
 9HG  CONST_10  N3   C4   C5   C6      0.00   0.0  0
 9HG  CONST_11  CAE  C4   C5   C6    180.00   0.0  0
 9HG  CONST_12  CAX  CAF  C5   C6    180.00   0.0  0
 9HG  CONST_13  CAF  C5   C6   N1    180.00   0.0  0
 9HG  CONST_14  CAW  CAE  C4   N3    180.00   0.0  0
 9HG  CONST_15  CAF  C5   C4   N3    180.00   0.0  0
 9HG  CONST_16  CAE  C4   N3   C2    180.00   0.0  0
 9HG  CONST_17  CAF  C5   C4   CAE     0.00   0.0  0
 9HG  CONST_18  CAF  CAX  CAW  CAE     0.00   0.0  0
 9HG  CONST_19  NAR  C2   N3   C4    180.00   0.0  0
 9HG  CONST_20  OAT  CAW  CAE  C4    180.00   0.0  0
 9HG  CONST_21  NAS  C6   C5   C4    180.00   0.0  0
 9HG  CONST_22  OAU  CAX  CAF  C5    180.00   0.0  0
 9HG  CONST_23  NAR  C2   N1   C6    180.00   0.0  0
 9HG  CONST_24  NAS  C6   N1   C2    180.00   0.0  0
 9HG  CONST_25  OAU  CAX  CAW  CAE   180.00   0.0  0
 9HG  CONST_26  NAS  C6   C5   CAF     0.00   0.0  0
 9HG  CONST_27  OAT  CAW  CAX  CAF   180.00   0.0  0
 9HG  CONST_28  CBB  NAS  C6   C5    180.00   0.0  0
 9HG  CONST_29  CAK  NAR  C2   N1    180.00   0.0  0
 9HG  CONST_30  CBB  NAS  C6   N1      0.00   0.0  0
 9HG  CONST_31  CAK  NAR  C2   N3      0.00   0.0  0
 9HG  CONST_32  H20  CAF  C5   C4    180.00   0.0  0
 9HG  CONST_33  H19  CAE  C4   C5    180.00   0.0  0
 9HG  CONST_34  C1   NAR  C2   N1      0.00   0.0  0
 9HG  CONST_35  C1   NAR  C2   N3    180.00   0.0  0
 9HG  CONST_36  H33  NAS  C6   C5      0.00   0.0  0
 9HG  Var_01    CAK  C8   C3   C7    -41.26  30.0  1
 9HG  Var_02    CAJ  C7   C3   C8     39.88  30.0  1
 9HG  Var_03    CAK  CAJ  C7   C3    -23.12  30.0  1
 9HG  Var_04    CAO  NBC  CAN  CAL   -59.54  30.0  1
 9HG  Var_05    CAN  NBC  CAO  CAM    59.37  30.0  1
 9HG  Var_06    NBC  CAO  CAM  CBB   -56.70  30.0  1
 9HG  Var_07    NBC  CAN  CAL  CBB    57.04  30.0  1
 9HG  Var_08    CAE  CAW  OAT  CAB     0.66  30.0  1
 9HG  Var_09    CAW  CAX  OAU  CAC   178.37  30.0  1
 9HG  Var_10    H16  CAD  NBC  CAN  -176.40  30.0  3
 9HG  Var_11    H7   C1   NAR  C2    -66.04  30.0  3
 9HG  Var_12    H10  CAB  OAT  CAW  -179.70  30.0  3
 9HG  Var_13    H13  CAC  OAU  CAX  -177.90  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
 9HG  chir_01  CAK  C8   CAJ  NAR  negativ
 9HG  chir_02  CBB  NAS  CAM  CAL  negativ

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
 9HG  plan-1  C1   0.020
 9HG  plan-1  C2   0.020
 9HG  plan-1  CAK  0.020
 9HG  plan-1  NAR  0.020
 9HG  plan-2  C4   0.020
 9HG  plan-2  C5   0.020
 9HG  plan-2  C6   0.020
 9HG  plan-2  N1   0.020
 9HG  plan-2  N3   0.020
 9HG  plan-2  C2   0.020
 9HG  plan-2  CAE  0.020
 9HG  plan-2  CAF  0.020
 9HG  plan-2  CAW  0.020
 9HG  plan-2  CAX  0.020
 9HG  plan-2  NAR  0.020
 9HG  plan-2  NAS  0.020
 9HG  plan-2  OAT  0.020
 9HG  plan-2  OAU  0.020
 9HG  plan-2  H19  0.020
 9HG  plan-2  H20  0.020
 9HG  plan-3  C6   0.020
 9HG  plan-3  CBB  0.020
 9HG  plan-3  NAS  0.020
 9HG  plan-3  H33  0.020

