# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Fri Apr 17 18:51:04 2020
#   Inital geometry file: a 131 line input string
#   Ligand name: 3-(6-ethoxynaphthalen-2-yl)-1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: CCOc1ccc2cc(ccc2c1)c3nn(CC4CCNCC4)c5ncnc(N)c35
#
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
 BK7  BK7  3-(6-ethoxynaphthalen-2-yl)-1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine  ligand  56  30  .  2021-08-06  2021-08-06  
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as PERFECT
;

data_comp_BK7
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
 BK7  N1    N  N     0  -0.479   2.5566  -3.8925  -1.1018
 BK7  C2    C  CR16  0   0.051   3.7363  -3.3981  -0.7302
 BK7  N3    N  N     0  -0.467   3.9915  -2.2738  -0.0940
 BK7  C4    C  CR56  0   0.579   2.8741  -1.6076   0.2134
 BK7  C5    C  CR56  0  -0.260   1.5662  -2.0085  -0.0693
 BK7  C6    C  CR6   0   0.435   1.4459  -3.2120  -0.8039
 BK7  CAA   C  CH3   0  -0.682  -9.0144   1.6845  -0.2269
 BK7  NAB   N  NH2   0  -0.817   0.2821  -3.7052  -1.2256
 BK7  CAC   C  CR16  0  -0.377  -4.7035   1.7997  -0.3294
 BK7  CAD   C  CR16  0  -0.336  -1.5237  -1.9180   0.8528
 BK7  CAE   C  CR16  0  -0.297  -3.3400   1.6845  -0.3178
 BK7  CAF   C  CR16  0  -0.301  -2.8850  -1.8125   0.8561
 BK7  CAH   C  CR16  0  -0.435  -4.9213  -0.4768   0.4464
 BK7  CAI   C  CR16  0  -0.354  -1.3007   0.3493   0.0794
 BK7  CAJ   C  CH2   0  -0.191  -7.5290   1.9377  -0.3208
 BK7  CAK   C  CH2   0  -0.293   6.2024   3.0402  -0.2979
 BK7  CAL   C  CH2   0  -0.292   4.0193   3.3398  -1.2479
 BK7  CAM   C  CH2   0  -0.418   5.6737   2.0513   0.7295
 BK7  CAN   C  CH2   0  -0.412   3.3954   2.3649  -0.2588
 BK7  NAR   N  N     0  -0.272   1.5135  -0.0368   0.9891
 BK7  NAS   N  NH1   0  -0.596   5.1660   3.9952  -0.6453
 BK7  CAU   C  CR6   0   0.406  -5.5135   0.7040   0.0567
 BK7  CAV   C  CR6   0   0.030  -0.7059  -0.8307   0.4501
 BK7  CAX   C  CR5   0   0.255   0.7535  -0.9651   0.4545
 BK7  CAY   C  CR66  0   0.136  -3.5207  -0.6093   0.4612
 BK7  CAZ   C  CR66  0   0.117  -2.7058   0.4865   0.0743
 BK7  CBC   C  CH1   0  -0.265   4.4250   1.3387   0.2103
 BK7  NBD   N  NR5   0  -0.373   2.7901  -0.4242   0.8463
 BK7  H2    H  HCR6  0   0.253   4.5965  -4.0027  -0.9986
 BK7  HAA   H  HCH3  0   0.236  -9.3243   0.8801  -0.8939
 BK7  HAAA  H  HCH3  0   0.236  -9.3118   1.4291   0.7899
 BK7  HAAB  H  HCH3  0   0.238  -9.5530   2.5862  -0.5169
 BK7  HNAB  H  HNH2  0   0.406   0.2695  -4.5468  -1.7769
 BK7  HNAA  H  HNH2  0   0.417  -0.5834  -3.2096  -1.1050
 BK7  HAC   H  HCR6  0   0.286  -5.1449   2.7361  -0.6403
 BK7  HAD   H  HCR6  0   0.274  -1.0604  -2.8371   1.1913
 BK7  HAE   H  HCR6  0   0.263  -2.7334   2.5299  -0.6187
 BK7  HAF   H  HCR6  0   0.258  -3.4914  -2.6522   1.1726
 BK7  HAH   H  HCR6  0   0.259  -5.5394  -1.3165   0.7425
 BK7  HAI   H  HCR6  0   0.252  -0.6921   1.1894  -0.2343
 BK7  HAJ   H  HCH2  0   0.227  -7.2540   2.2165  -1.3433
 BK7  HAJA  H  HCH2  0   0.227  -7.2416   2.7640   0.3375
 BK7  HAK   H  HCH2  0   0.231   7.0596   3.5796   0.1106
 BK7  HAKA  H  HCH2  0   0.186   6.5663   2.4766  -1.1736
 BK7  HAL   H  HCH2  0   0.185   4.2855   2.7880  -2.1658
 BK7  HALA  H  HCH2  0   0.231   3.2882   4.0986  -1.5343
 BK7  HAM   H  HCH2  0   0.232   6.4515   1.3217   0.9693
 BK7  HAMA  H  HCH2  0   0.216   5.4334   2.5854   1.6549
 BK7  HAN   H  HCH2  0   0.212   3.0143   2.9196   0.6053
 BK7  HANA  H  HCH2  0   0.234   2.5404   1.8735  -0.7276
 BK7  HAO   H  HCH2  0   0.264   4.6784  -0.2538   1.6445
 BK7  HAOA  H  HCH2  0   0.262   3.5301   0.9799   2.1483
 BK7  HNAS  H  HNH1  0   0.351   5.5419   4.6801  -1.2880
 BK7  HBC   H  HCH1  0   0.229   4.7218   0.7285  -0.6526
 BK7  CAO   C  CH2   0  -0.286   3.8858   0.4071   1.2907
 BK7  OAT   O  O2    0  -0.472  -6.8569   0.7438   0.0637

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
 BK7  N1   C6    aromatic  1.336  0.020  1.336
 BK7  C2   N1    aromatic  1.332  0.020  1.332
 BK7  C2   N3    aromatic  1.317  0.020  1.317
 BK7  N3   C4    aromatic  1.337  0.020  1.337
 BK7  C4   NBD   aromatic  1.345  0.020  1.345
 BK7  C4   C5    aromatic  1.397  0.020  1.397
 BK7  C5   CAX   aromatic  1.423  0.020  1.423
 BK7  C6   C5    aromatic  1.415  0.020  1.415
 BK7  C6   NAB   single    1.332  0.020  1.332
 BK7  CAD  CAF   aromatic  1.365  0.020  1.365
 BK7  CAD  CAV   aromatic  1.419  0.020  1.419
 BK7  CAE  CAC   aromatic  1.368  0.020  1.368
 BK7  CAF  CAY   aromatic  1.417  0.020  1.417
 BK7  CAH  CAU   aromatic  1.377  0.020  1.377
 BK7  CAI  CAZ   aromatic  1.412  0.020  1.412
 BK7  CAJ  CAA   single    1.510  0.020  1.510
 BK7  CAJ  OAT   single    1.423  0.020  1.423
 BK7  CAK  CAM   single    1.521  0.020  1.521
 BK7  CAL  NAS   single    1.452  0.020  1.452
 BK7  CAL  CAN   single    1.522  0.020  1.522
 BK7  CAM  CBC   single    1.529  0.020  1.529
 BK7  CAN  CBC   single    1.528  0.020  1.528
 BK7  CAO  NBD   single    1.445  0.020  1.445
 BK7  NAR  CAX   aromatic  1.313  0.020  1.313
 BK7  NAS  CAK   single    1.451  0.020  1.451
 BK7  CAU  CAC   aromatic  1.416  0.020  1.416
 BK7  CAU  OAT   single    1.344  0.020  1.344
 BK7  CAV  CAI   aromatic  1.372  0.020  1.372
 BK7  CAX  CAV   single    1.466  0.020  1.466
 BK7  CAY  CAH   aromatic  1.407  0.020  1.407
 BK7  CAY  CAZ   aromatic  1.419  0.020  1.419
 BK7  CAZ  CAE   aromatic  1.411  0.020  1.411
 BK7  CBC  CAO   single    1.525  0.020  1.525
 BK7  NBD  NAR   aromatic  1.342  0.020  1.342
 BK7  C2   H2    single    0.930  0.020  1.080
 BK7  CAA  HAA   single    0.970  0.020  1.090
 BK7  CAA  HAAA  single    0.970  0.020  1.090
 BK7  CAA  HAAB  single    0.970  0.020  1.090
 BK7  NAB  HNAB  single    0.860  0.020  1.020
 BK7  NAB  HNAA  single    0.860  0.020  1.020
 BK7  CAC  HAC   single    0.930  0.020  1.080
 BK7  CAD  HAD   single    0.930  0.020  1.080
 BK7  CAE  HAE   single    0.930  0.020  1.080
 BK7  CAF  HAF   single    0.930  0.020  1.080
 BK7  CAH  HAH   single    0.930  0.020  1.080
 BK7  CAI  HAI   single    0.930  0.020  1.080
 BK7  CAJ  HAJ   single    0.970  0.020  1.090
 BK7  CAJ  HAJA  single    0.970  0.020  1.090
 BK7  CAK  HAK   single    0.970  0.020  1.090
 BK7  CAK  HAKA  single    0.970  0.020  1.090
 BK7  CAL  HAL   single    0.970  0.020  1.090
 BK7  CAL  HALA  single    0.970  0.020  1.090
 BK7  CAM  HAM   single    0.970  0.020  1.090
 BK7  CAM  HAMA  single    0.970  0.020  1.090
 BK7  CAN  HAN   single    0.970  0.020  1.090
 BK7  CAN  HANA  single    0.970  0.020  1.090
 BK7  CAO  HAO   single    0.970  0.020  1.090
 BK7  CAO  HAOA  single    0.970  0.020  1.090
 BK7  NAS  HNAS  single    0.890  0.020  1.040
 BK7  CBC  HBC   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
 BK7  C6    N1   C2    119.01  3.000
 BK7  H2    C2   N3    116.20  3.000
 BK7  H2    C2   N1    115.24  3.000
 BK7  N3    C2   N1    128.56  3.000
 BK7  C4    N3   C2    112.00  3.000
 BK7  NBD   C4   C5    106.82  3.000
 BK7  C5    C4   N3    126.37  3.000
 BK7  NBD   C4   N3    126.81  3.000
 BK7  CAX   C5   C6    140.03  3.000
 BK7  C6    C5   C4    115.39  3.000
 BK7  CAX   C5   C4    104.47  3.000
 BK7  NAB   C6   C5    123.60  3.000
 BK7  NAB   C6   N1    117.84  3.000
 BK7  C5    C6   N1    118.57  3.000
 BK7  HAAB  CAA  HAAA  107.90  3.000
 BK7  HAAB  CAA  HAA   107.90  3.000
 BK7  HAAA  CAA  HAA   108.69  3.000
 BK7  HAAB  CAA  CAJ   109.33  3.000
 BK7  HAAA  CAA  CAJ   111.46  3.000
 BK7  HAA   CAA  CAJ   111.44  3.000
 BK7  HNAA  NAB  HNAB  117.88  3.000
 BK7  HNAA  NAB  C6    122.14  3.000
 BK7  HNAB  NAB  C6    119.60  3.000
 BK7  HAC   CAC  CAU   121.01  3.000
 BK7  HAC   CAC  CAE   118.83  3.000
 BK7  CAU   CAC  CAE   120.16  3.000
 BK7  HAD   CAD  CAV   119.49  3.000
 BK7  HAD   CAD  CAF   119.41  3.000
 BK7  CAV   CAD  CAF   121.07  3.000
 BK7  HAE   CAE  CAZ   119.21  3.000
 BK7  HAE   CAE  CAC   119.34  3.000
 BK7  CAZ   CAE  CAC   121.44  3.000
 BK7  HAF   CAF  CAY   119.25  3.000
 BK7  HAF   CAF  CAD   119.93  3.000
 BK7  CAY   CAF  CAD   120.81  3.000
 BK7  HAH   CAH  CAY   119.46  3.000
 BK7  HAH   CAH  CAU   119.76  3.000
 BK7  CAY   CAH  CAU   120.78  3.000
 BK7  HAI   CAI  CAZ   118.85  3.000
 BK7  HAI   CAI  CAV   120.09  3.000
 BK7  CAZ   CAI  CAV   121.06  3.000
 BK7  HAJA  CAJ  HAJ   107.66  3.000
 BK7  HAJA  CAJ  OAT   110.29  3.000
 BK7  HAJ   CAJ  OAT   110.32  3.000
 BK7  HAJA  CAJ  CAA   110.33  3.000
 BK7  HAJ   CAJ  CAA   110.36  3.000
 BK7  OAT   CAJ  CAA   107.89  3.000
 BK7  HAKA  CAK  HAK   106.88  3.000
 BK7  HAKA  CAK  NAS   112.44  3.000
 BK7  HAK   CAK  NAS   108.97  3.000
 BK7  HAKA  CAK  CAM   108.58  3.000
 BK7  HAK   CAK  CAM   109.96  3.000
 BK7  NAS   CAK  CAM   109.95  3.000
 BK7  HALA  CAL  HAL   106.91  3.000
 BK7  HALA  CAL  NAS   108.90  3.000
 BK7  HAL   CAL  NAS   112.36  3.000
 BK7  HALA  CAL  CAN   109.94  3.000
 BK7  HAL   CAL  CAN   108.61  3.000
 BK7  NAS   CAL  CAN   110.07  3.000
 BK7  HAMA  CAM  HAM   107.24  3.000
 BK7  HAMA  CAM  CBC   109.58  3.000
 BK7  HAM   CAM  CBC   110.16  3.000
 BK7  HAMA  CAM  CAK   109.27  3.000
 BK7  HAM   CAM  CAK   109.56  3.000
 BK7  CBC   CAM  CAK   110.95  3.000
 BK7  HANA  CAN  HAN   107.11  3.000
 BK7  HANA  CAN  CBC   110.93  3.000
 BK7  HAN   CAN  CBC   109.42  3.000
 BK7  HANA  CAN  CAL   109.28  3.000
 BK7  HAN   CAN  CAL   109.32  3.000
 BK7  CBC   CAN  CAL   110.70  3.000
 BK7  NBD   NAR  CAX   107.65  3.000
 BK7  HNAS  NAS  CAL   109.60  3.000
 BK7  HNAS  NAS  CAK   109.40  3.000
 BK7  CAL   NAS  CAK   111.49  3.000
 BK7  OAT   CAU  CAH   116.98  3.000
 BK7  OAT   CAU  CAC   123.38  3.000
 BK7  CAH   CAU  CAC   119.64  3.000
 BK7  CAX   CAV  CAI   120.75  3.000
 BK7  CAX   CAV  CAD   120.18  3.000
 BK7  CAI   CAV  CAD   119.06  3.000
 BK7  CAV   CAX  NAR   120.84  3.000
 BK7  CAV   CAX  C5    129.43  3.000
 BK7  NAR   CAX  C5    109.73  3.000
 BK7  CAZ   CAY  CAH   119.73  3.000
 BK7  CAZ   CAY  CAF   118.29  3.000
 BK7  CAH   CAY  CAF   121.97  3.000
 BK7  CAY   CAZ  CAI   119.70  3.000
 BK7  CAY   CAZ  CAE   118.24  3.000
 BK7  CAI   CAZ  CAE   122.06  3.000
 BK7  HBC   CBC  CAO   108.24  3.000
 BK7  HBC   CBC  CAN   108.32  3.000
 BK7  CAO   CBC  CAN   112.93  3.000
 BK7  HBC   CBC  CAM   107.77  3.000
 BK7  CAO   CBC  CAM   109.44  3.000
 BK7  CAN   CBC  CAM   109.98  3.000
 BK7  NAR   NBD  CAO   121.50  3.000
 BK7  NAR   NBD  C4    111.33  3.000
 BK7  CAO   NBD  C4    127.12  3.000
 BK7  HAOA  CAO  HAO   107.46  3.000
 BK7  HAOA  CAO  NBD   107.25  3.000
 BK7  HAO   CAO  NBD   107.59  3.000
 BK7  HAOA  CAO  CBC   110.57  3.000
 BK7  HAO   CAO  CBC   110.05  3.000
 BK7  NBD   CAO  CBC   113.67  3.000
 BK7  CAU   OAT  CAJ   119.70  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
 BK7  CONST_01  C4    C5   C6   N1     0.00   0.0  0
 BK7  CONST_02  CAX   C5   C6   N1   180.00   0.0  0
 BK7  CONST_03  C4    N3   C2   N1     0.00   0.0  0
 BK7  CONST_04  C5    C6   N1   C2     0.00   0.0  0
 BK7  CONST_05  NBD   C4   N3   C2   180.00   0.0  0
 BK7  CONST_06  C5    C4   N3   C2     0.00   0.0  0
 BK7  CONST_07  C6    N1   C2   N3     0.00   0.0  0
 BK7  CONST_08  NAR   NBD  C4   N3   180.00   0.0  0
 BK7  CONST_09  CAX   C5   C4   N3   180.00   0.0  0
 BK7  CONST_10  C6    C5   C4   N3     0.00   0.0  0
 BK7  CONST_11  CAX   NAR  NBD  C4     0.00   0.0  0
 BK7  CONST_12  NAR   CAX  C5   C4     0.00   0.0  0
 BK7  CONST_13  CAV   CAX  C5   C4   180.00   0.0  0
 BK7  CONST_14  NAR   NBD  C4   C5     0.00   0.0  0
 BK7  CONST_15  NBD   NAR  CAX  C5     0.00   0.0  0
 BK7  CONST_18  NBD   C4   C5   C6   180.00   0.0  0
 BK7  CONST_19  NAR   CAX  C5   C6   180.00   0.0  0
 BK7  CONST_20  CAV   CAX  C5   C6     0.00   0.0  0
 BK7  CONST_21  CAI   CAZ  CAE  CAC  180.00   0.0  0
 BK7  CONST_22  CAY   CAZ  CAE  CAC    0.00   0.0  0
 BK7  CONST_23  CAY   CAH  CAU  CAC    0.00   0.0  0
 BK7  CONST_24  CAH   CAY  CAF  CAD  180.00   0.0  0
 BK7  CONST_25  CAZ   CAY  CAF  CAD    0.00   0.0  0
 BK7  CONST_26  CAZ   CAI  CAV  CAD    0.00   0.0  0
 BK7  CONST_28  CAH   CAU  CAC  CAE    0.00   0.0  0
 BK7  CONST_29  CAV   CAI  CAZ  CAE  180.00   0.0  0
 BK7  CONST_30  CAF   CAY  CAZ  CAE  180.00   0.0  0
 BK7  CONST_31  CAH   CAY  CAZ  CAE    0.00   0.0  0
 BK7  CONST_32  CAI   CAV  CAD  CAF    0.00   0.0  0
 BK7  CONST_33  CAX   CAV  CAD  CAF  180.00   0.0  0
 BK7  CONST_34  CAU   CAH  CAY  CAF  180.00   0.0  0
 BK7  CONST_35  CAI   CAZ  CAY  CAF    0.00   0.0  0
 BK7  CONST_36  CAI   CAZ  CAY  CAH  180.00   0.0  0
 BK7  CONST_38  CAZ   CAY  CAH  CAU    0.00   0.0  0
 BK7  CONST_39  CAZ   CAE  CAC  CAU    0.00   0.0  0
 BK7  CONST_40  CAY   CAF  CAD  CAV    0.00   0.0  0
 BK7  CONST_41  CAY   CAZ  CAI  CAV    0.00   0.0  0
 BK7  CONST_42  NBD   NAR  CAX  CAV  180.00   0.0  0
 BK7  CONST_43  NBD   C4   C5   CAX    0.00   0.0  0
 BK7  CONST_44  CAZ   CAI  CAV  CAX  180.00   0.0  0
 BK7  CONST_45  NAB   C6   N1   C2   180.00   0.0  0
 BK7  CONST_46  CAO   NBD  C4   N3     0.00   0.0  0
 BK7  CONST_47  NAB   C6   C5   C4   180.00   0.0  0
 BK7  CONST_48  CAO   NBD  C4   C5   180.00   0.0  0
 BK7  CONST_49  CAX   C5   C6   NAB    0.00   0.0  0
 BK7  CONST_50  OAT   CAU  CAC  CAE  180.00   0.0  0
 BK7  CONST_51  CAX   NAR  NBD  CAO  180.00   0.0  0
 BK7  CONST_52  CAY   CAH  CAU  OAT  180.00   0.0  0
 BK7  CONST_53  H2    C2   N3   C4   180.00   0.0  0
 BK7  CONST_54  HAH   CAH  CAU  CAC  180.00   0.0  0
 BK7  CONST_55  HAI   CAI  CAV  CAD  180.00   0.0  0
 BK7  CONST_56  HAC   CAC  CAU  CAH  180.00   0.0  0
 BK7  CONST_57  HAF   CAF  CAY  CAH    0.00   0.0  0
 BK7  CONST_58  HAE   CAE  CAZ  CAI    0.00   0.0  0
 BK7  CONST_59  HAD   CAD  CAV  CAI  180.00   0.0  0
 BK7  CONST_60  HNAB  NAB  C6   N1     0.00   0.0  0
 BK7  CONST_61  HNAA  NAB  C6   N1   180.00   0.0  0
 BK7  Var_01    CAN   CAL  NAS  CAK   62.04  30.0  1
 BK7  Var_02    CAM   CAK  NAS  CAL  -61.84  30.0  1
 BK7  Var_03    CBC   CAN  CAL  NAS  -57.05  30.0  1
 BK7  Var_04    CBC   CAM  CAK  NAS   56.86  30.0  1
 BK7  Var_05    CBC   CAO  NBD  C4    85.27  30.0  1
 BK7  Var_06    HAJ   CAJ  OAT  CAU   58.92  30.0  1
 BK7  Var_07    HAA   CAA  CAJ  OAT  -60.82  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
 BK7  chir_01  CBC  CAM  CAN  CAO  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
 BK7  plan-1  N1    0.020
 BK7  plan-1  C2    0.020
 BK7  plan-1  N3    0.020
 BK7  plan-1  C4    0.020
 BK7  plan-1  C5    0.020
 BK7  plan-1  C6    0.020
 BK7  plan-1  NAB   0.020
 BK7  plan-1  NAR   0.020
 BK7  plan-1  CAV   0.020
 BK7  plan-1  CAX   0.020
 BK7  plan-1  NBD   0.020
 BK7  plan-1  H2    0.020
 BK7  plan-1  CAO   0.020
 BK7  plan-2  CAC   0.020
 BK7  plan-2  CAD   0.020
 BK7  plan-2  CAE   0.020
 BK7  plan-2  CAF   0.020
 BK7  plan-2  CAH   0.020
 BK7  plan-2  CAI   0.020
 BK7  plan-2  CAU   0.020
 BK7  plan-2  CAV   0.020
 BK7  plan-2  CAX   0.020
 BK7  plan-2  CAY   0.020
 BK7  plan-2  CAZ   0.020
 BK7  plan-2  HAC   0.020
 BK7  plan-2  HAD   0.020
 BK7  plan-2  HAE   0.020
 BK7  plan-2  HAF   0.020
 BK7  plan-2  HAH   0.020
 BK7  plan-2  HAI   0.020
 BK7  plan-2  OAT   0.020
 BK7  plan-3  C6    0.020
 BK7  plan-3  NAB   0.020
 BK7  plan-3  HNAB  0.020
 BK7  plan-3  HNAA  0.020

