# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Wed Mar  9 09:01:47 2022
#   Inital geometry file: a 147 line input string
#   Ligand name: 4-{[bis(2,4,6-trimethylphenyl)boranyl](2,2,2-trifluoroethyl)amino}phenol
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: Cc1cc(C)c(B(N(CC(F)(F)F)c2ccc(O)cc2)c3c(C)cc(C)cc3C)c(C)c1
#
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
 A48  A48  4-{[bis(2,4,6-trimethylphenyl)boranyl](2,2,2-trifluoroethyl)amino}phenol  ligand  61  32  .  2022-03-11  2022-03-11
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as PERFECT
;

data_comp_A48
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
 A48  CAD   C  CH3   0  -0.755   1.2832  -1.2845   2.3657
 A48  CAE   C  CR6   0   0.045   1.2029  -2.0459   1.0688
 A48  CAA   C  CR16  0  -0.339   1.9238  -3.2367   1.0115
 A48  CAB   C  CR6   0   0.106   1.9278  -4.0418  -0.1170
 A48  CAC   C  CH3   0  -0.726   2.6978  -5.3301  -0.1468
 A48  CAF   C  CR16  0  -0.358   1.1753  -3.6236  -1.2078
 A48  CAI   C  CR6   0   0.037   0.4337  -2.4477  -1.1804
 A48  CAJ   C  CH3   0  -0.773  -0.3250  -2.0703  -2.4223
 A48  CAH   C  CR6   0  -0.154   0.4380  -1.6283  -0.0352
 A48  B     B  B     0   0.614  -0.4194  -0.2958   0.0219
 A48  N     N  NT    0  -0.521   0.2447   0.9440   0.1888
 A48  CAW   C  CH2   0  -0.528  -0.4627   2.1582   0.5407
 A48  CBD   C  CT    0   0.994  -0.1099   3.3741  -0.3044
 A48  FBF   F  F     0  -0.299   0.0898   3.0842  -1.5933
 A48  FBE   F  F     0  -0.312  -1.1054   4.2726  -0.2475
 A48  FBC   F  F     0  -0.305   0.9923   4.0091   0.1179
 A48  CAP   C  CR6   0   0.277   1.6649   1.0480   0.1400
 A48  CAQ   C  CR16  0  -0.263   2.3959   1.5677   1.2003
 A48  CAR   C  CR16  0  -0.381   3.7774   1.6552   1.1370
 A48  CAZ   C  CR6   0   0.344   4.4550   1.2183   0.0028
 A48  OBA   O  OH1   0  -0.635   5.7980   1.2769  -0.1131
 A48  CAY   C  CR16  0  -0.342   3.7285   0.7039  -1.0681
 A48  CAX   C  CR16  0  -0.250   2.3490   0.6338  -0.9971
 A48  CAM   C  CR6   0  -0.188  -2.0049  -0.3568  -0.0626
 A48  CAL   C  CR6   0   0.020  -2.7104   0.1535  -1.1634
 A48  CAG   C  CH3   0  -0.757  -2.0414   0.8418  -2.3227
 A48  CAK   C  CR16  0  -0.341  -4.0997   0.0328  -1.2277
 A48  CAT   C  CR6   0   0.106  -4.8305  -0.5742  -0.2209
 A48  CAS   C  CH3   0  -0.726  -6.3215  -0.7183  -0.3116
 A48  CAU   C  CR16  0  -0.351  -4.1299  -1.0674   0.8767
 A48  CAV   C  CR6   0   0.039  -2.7477  -0.9744   0.9664
 A48  CBB   C  CH3   0  -0.769  -2.0817  -1.5215   2.1976
 A48  HAD1  H  HCH3  0   0.247   1.0194  -1.9316   3.2046
 A48  HAD2  H  HCH3  0   0.254   2.2991  -0.9298   2.5437
 A48  HAD3  H  HCH3  0   0.245   0.6251  -0.4212   2.4084
 A48  HAA   H  HCR6  0   0.227   2.4995  -3.5414   1.8807
 A48  HAC1  H  HCH3  0   0.245   2.1943  -6.1028   0.4379
 A48  HAC2  H  HCH3  0   0.240   2.8067  -5.7094  -1.1626
 A48  HAC3  H  HCH3  0   0.241   3.6957  -5.2102   0.2767
 A48  HAF   H  HCR6  0   0.231   1.1648  -4.2315  -2.1067
 A48  HAJ1  H  HCH3  0   0.255  -1.3823  -1.8954  -2.2224
 A48  HAJ2  H  HCH3  0   0.236   0.0688  -1.1586  -2.8780
 A48  HAJ3  H  HCH3  0   0.254  -0.2585  -2.8540  -3.1759
 A48  HAW1  H  HCH2  0   0.306  -1.5323   1.9796   0.4415
 A48  HAW2  H  HCH2  0   0.293  -0.2904   2.4325   1.5866
 A48  HAQ   H  HCR6  0   0.267   1.8959   1.9038   2.0997
 A48  HAR   H  HCR6  0   0.269   4.3239   2.0634   1.9795
 A48  HOBA  H  HOH1  0   0.473   6.1878   1.6429   0.6886
 A48  HAY   H  HCR6  0   0.261   4.2435   0.3701  -1.9601
 A48  HAX   H  HCR6  0   0.258   1.7974   0.2449  -1.8431
 A48  HAG1  H  HCH3  0   0.250  -2.3465   0.3865  -3.2661
 A48  HAG2  H  HCH3  0   0.251  -2.3340   1.8920  -2.3733
 A48  HAG3  H  HCH3  0   0.249  -0.9572   0.8042  -2.2793
 A48  HAK   H  HCR6  0   0.232  -4.6184   0.4297  -2.0948
 A48  HAS1  H  HCH3  0   0.246  -6.6020  -1.7485  -0.5405
 A48  HAS2  H  HCH3  0   0.242  -6.8083  -0.4562   0.6284
 A48  HAS3  H  HCH3  0   0.241  -6.7379  -0.0852  -1.0944
 A48  HAU   H  HCR6  0   0.232  -4.6773  -1.5398   1.6860
 A48  HBB1  H  HCH3  0   0.241  -1.5798  -0.7386   2.7686
 A48  HBB2  H  HCH3  0   0.253  -2.8090  -1.9867   2.8620
 A48  HBB3  H  HCH3  0   0.253  -1.3305  -2.2740   1.9551

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
 A48  CAD  CAE   single    1.506  0.020  1.506
 A48  CAD  HAD1  single    0.970  0.020  1.090
 A48  CAD  HAD2  single    0.970  0.020  1.090
 A48  CAD  HAD3  single    0.970  0.020  1.090
 A48  CAE  CAH   aromatic  1.407  0.020  1.407
 A48  CAE  CAA   aromatic  1.393  0.020  1.393
 A48  CAA  CAB   aromatic  1.386  0.020  1.386
 A48  CAA  HAA   single    0.930  0.020  1.080
 A48  CAB  CAF   aromatic  1.390  0.020  1.390
 A48  CAB  CAC   single    1.501  0.020  1.501
 A48  CAC  HAC1  single    0.970  0.020  1.090
 A48  CAC  HAC2  single    0.970  0.020  1.090
 A48  CAC  HAC3  single    0.970  0.020  1.090
 A48  CAF  CAI   aromatic  1.391  0.020  1.391
 A48  CAF  HAF   single    0.930  0.020  1.080
 A48  CAI  CAJ   single    1.503  0.020  1.503
 A48  CAI  CAH   aromatic  1.408  0.020  1.408
 A48  CAJ  HAJ1  single    0.970  0.020  1.090
 A48  CAJ  HAJ2  single    0.970  0.020  1.090
 A48  CAJ  HAJ3  single    0.970  0.020  1.090
 A48  CAH  B     single    1.586  0.020  1.586
 A48  B    CAM   single    1.589  0.020  1.589
 A48  B    N     single    1.416  0.020  1.416
 A48  N    CAP   single    1.425  0.020  1.425
 A48  N    CAW   single    1.449  0.020  1.449
 A48  CAW  CBD   single    1.522  0.020  1.522
 A48  CAW  HAW1  single    0.970  0.020  1.090
 A48  CAW  HAW2  single    0.970  0.020  1.090
 A48  CBD  FBF   single    1.336  0.020  1.336
 A48  CBD  FBC   single    1.340  0.020  1.340
 A48  CBD  FBE   single    1.342  0.020  1.342
 A48  CAP  CAQ   aromatic  1.389  0.020  1.389
 A48  CAP  CAX   aromatic  1.390  0.020  1.390
 A48  CAQ  CAR   aromatic  1.386  0.020  1.386
 A48  CAQ  HAQ   single    0.930  0.020  1.080
 A48  CAR  CAZ   aromatic  1.392  0.020  1.392
 A48  CAR  HAR   single    0.930  0.020  1.080
 A48  CAZ  OBA   single    1.349  0.020  1.349
 A48  CAZ  CAY   aromatic  1.393  0.020  1.393
 A48  OBA  HOBA  single    0.850  0.020  0.980
 A48  CAY  CAX   aromatic  1.383  0.020  1.383
 A48  CAY  HAY   single    0.930  0.020  1.080
 A48  CAX  HAX   single    0.930  0.020  1.080
 A48  CAM  CAL   aromatic  1.403  0.020  1.403
 A48  CAM  CAV   aromatic  1.411  0.020  1.411
 A48  CAL  CAK   aromatic  1.396  0.020  1.396
 A48  CAL  CAG   single    1.505  0.020  1.505
 A48  CAG  HAG1  single    0.970  0.020  1.090
 A48  CAG  HAG2  single    0.970  0.020  1.090
 A48  CAG  HAG3  single    0.970  0.020  1.090
 A48  CAK  CAT   aromatic  1.384  0.020  1.384
 A48  CAK  HAK   single    0.930  0.020  1.080
 A48  CAT  CAS   single    1.501  0.020  1.501
 A48  CAT  CAU   aromatic  1.392  0.020  1.392
 A48  CAS  HAS1  single    0.970  0.020  1.090
 A48  CAS  HAS2  single    0.970  0.020  1.090
 A48  CAS  HAS3  single    0.970  0.020  1.090
 A48  CAU  CAV   aromatic  1.388  0.020  1.388
 A48  CAU  HAU   single    0.930  0.020  1.080
 A48  CAV  CBB   single    1.503  0.020  1.503
 A48  CBB  HBB1  single    0.970  0.020  1.090
 A48  CBB  HBB2  single    0.970  0.020  1.090
 A48  CBB  HBB3  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
 A48  HAD3  CAD  HAD2  107.42  3.000
 A48  HAD3  CAD  HAD1  107.12  3.000
 A48  HAD2  CAD  HAD1  107.01  3.000
 A48  HAD3  CAD  CAE   113.78  3.000
 A48  HAD2  CAD  CAE   110.77  3.000
 A48  HAD1  CAD  CAE   110.43  3.000
 A48  CAH   CAE  CAA   120.20  3.000
 A48  CAA   CAE  CAD   116.10  3.000
 A48  CAH   CAE  CAD   123.69  3.000
 A48  HAA   CAA  CAB   119.14  3.000
 A48  HAA   CAA  CAE   118.76  3.000
 A48  CAB   CAA  CAE   122.10  3.000
 A48  CAF   CAB  CAC   121.36  3.000
 A48  CAC   CAB  CAA   121.07  3.000
 A48  CAF   CAB  CAA   117.56  3.000
 A48  HAC3  CAC  HAC2  107.98  3.000
 A48  HAC3  CAC  HAC1  106.96  3.000
 A48  HAC2  CAC  HAC1  107.40  3.000
 A48  HAC3  CAC  CAB   111.54  3.000
 A48  HAC2  CAC  CAB   111.62  3.000
 A48  HAC1  CAC  CAB   111.11  3.000
 A48  HAF   CAF  CAI   119.01  3.000
 A48  HAF   CAF  CAB   119.14  3.000
 A48  CAI   CAF  CAB   121.86  3.000
 A48  CAH   CAI  CAJ   121.82  3.000
 A48  CAH   CAI  CAF   120.43  3.000
 A48  CAJ   CAI  CAF   117.72  3.000
 A48  HAJ3  CAJ  HAJ2  106.85  3.000
 A48  HAJ3  CAJ  HAJ1  107.55  3.000
 A48  HAJ2  CAJ  HAJ1  106.99  3.000
 A48  HAJ3  CAJ  CAI   111.10  3.000
 A48  HAJ2  CAJ  CAI   111.84  3.000
 A48  HAJ1  CAJ  CAI   112.23  3.000
 A48  B     CAH  CAI   121.11  3.000
 A48  B     CAH  CAE   121.02  3.000
 A48  CAI   CAH  CAE   117.85  3.000
 A48  CAM   B    N     120.52  3.000
 A48  N     B    CAH   119.10  3.000
 A48  CAM   B    CAH   120.36  3.000
 A48  CAP   N    CAW   115.71  3.000
 A48  CAW   N    B     122.23  3.000
 A48  CAP   N    B     121.82  3.000
 A48  HAW2  CAW  HAW1  106.42  3.000
 A48  HAW2  CAW  CBD   107.08  3.000
 A48  HAW1  CAW  CBD   107.94  3.000
 A48  HAW2  CAW  N     111.42  3.000
 A48  HAW1  CAW  N     108.67  3.000
 A48  CBD   CAW  N     114.93  3.000
 A48  FBC   CBD  FBE   106.23  3.000
 A48  FBE   CBD  FBF   107.28  3.000
 A48  FBC   CBD  FBF   106.48  3.000
 A48  FBE   CBD  CAW   109.84  3.000
 A48  FBC   CBD  CAW   113.21  3.000
 A48  FBF   CBD  CAW   113.38  3.000
 A48  CAX   CAP  CAQ   118.48  3.000
 A48  CAX   CAP  N     119.79  3.000
 A48  CAQ   CAP  N     121.72  3.000
 A48  HAQ   CAQ  CAR   118.61  3.000
 A48  HAQ   CAQ  CAP   120.49  3.000
 A48  CAR   CAQ  CAP   120.90  3.000
 A48  HAR   CAR  CAZ   120.41  3.000
 A48  HAR   CAR  CAQ   119.40  3.000
 A48  CAZ   CAR  CAQ   120.19  3.000
 A48  CAY   CAZ  OBA   117.99  3.000
 A48  CAY   CAZ  CAR   119.26  3.000
 A48  OBA   CAZ  CAR   122.75  3.000
 A48  HOBA  OBA  CAZ   110.34  3.000
 A48  HAY   CAY  CAX   120.07  3.000
 A48  HAY   CAY  CAZ   119.96  3.000
 A48  CAX   CAY  CAZ   119.97  3.000
 A48  HAX   CAX  CAY   119.11  3.000
 A48  HAX   CAX  CAP   119.71  3.000
 A48  CAY   CAX  CAP   121.18  3.000
 A48  CAV   CAM  CAL   117.80  3.000
 A48  CAV   CAM  B     120.21  3.000
 A48  CAL   CAM  B     121.96  3.000
 A48  CAK   CAL  CAG   116.51  3.000
 A48  CAG   CAL  CAM   123.16  3.000
 A48  CAK   CAL  CAM   120.33  3.000
 A48  HAG3  CAG  HAG2  107.63  3.000
 A48  HAG3  CAG  HAG1  107.42  3.000
 A48  HAG2  CAG  HAG1  106.65  3.000
 A48  HAG3  CAG  CAL   113.41  3.000
 A48  HAG2  CAG  CAL   110.89  3.000
 A48  HAG1  CAG  CAL   110.54  3.000
 A48  HAK   CAK  CAT   119.28  3.000
 A48  HAK   CAK  CAL   118.73  3.000
 A48  CAT   CAK  CAL   121.99  3.000
 A48  CAU   CAT  CAS   120.90  3.000
 A48  CAU   CAT  CAK   117.58  3.000
 A48  CAS   CAT  CAK   121.51  3.000
 A48  HAS3  CAS  HAS2  108.00  3.000
 A48  HAS3  CAS  HAS1  107.43  3.000
 A48  HAS2  CAS  HAS1  107.03  3.000
 A48  HAS3  CAS  CAT   111.55  3.000
 A48  HAS2  CAS  CAT   111.60  3.000
 A48  HAS1  CAS  CAT   111.01  3.000
 A48  HAU   CAU  CAV   118.89  3.000
 A48  HAU   CAU  CAT   119.23  3.000
 A48  CAV   CAU  CAT   121.89  3.000
 A48  CBB   CAV  CAU   118.03  3.000
 A48  CBB   CAV  CAM   121.55  3.000
 A48  CAU   CAV  CAM   120.41  3.000
 A48  HBB3  CBB  HBB2  107.50  3.000
 A48  HBB3  CBB  HBB1  107.14  3.000
 A48  HBB2  CBB  HBB1  107.11  3.000
 A48  HBB3  CBB  CAV   111.98  3.000
 A48  HBB2  CBB  CAV   111.05  3.000
 A48  HBB1  CBB  CAV   111.80  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
 A48  CONST_01  CAF   CAI  CAH  CAE     0.00   0.0  0
 A48  CONST_02  CAF   CAB  CAA  CAE     0.00   0.0  0
 A48  CONST_03  CAI   CAH  CAE  CAA     0.00   0.0  0
 A48  CONST_04  CAI   CAF  CAB  CAA     0.00   0.0  0
 A48  CONST_05  CAH   CAE  CAA  CAB     0.00   0.0  0
 A48  CONST_06  CAH   CAI  CAF  CAB     0.00   0.0  0
 A48  CONST_07  CAZ   CAR  CAQ  CAP     0.00   0.0  0
 A48  CONST_08  CAZ   CAY  CAX  CAP     0.00   0.0  0
 A48  CONST_09  CAY   CAX  CAP  CAQ     0.00   0.0  0
 A48  CONST_10  CAY   CAZ  CAR  CAQ     0.00   0.0  0
 A48  CONST_11  CAX   CAP  CAQ  CAR     0.00   0.0  0
 A48  CONST_12  CAX   CAY  CAZ  CAR     0.00   0.0  0
 A48  CONST_13  CAT   CAK  CAL  CAM     0.00   0.0  0
 A48  CONST_14  CAT   CAU  CAV  CAM     0.00   0.0  0
 A48  CONST_15  CAU   CAV  CAM  CAL     0.00   0.0  0
 A48  CONST_16  CAU   CAT  CAK  CAL     0.00   0.0  0
 A48  CONST_17  CAV   CAM  CAL  CAK     0.00   0.0  0
 A48  CONST_18  CAV   CAU  CAT  CAK     0.00   0.0  0
 A48  CONST_19  CAI   CAH  CAE  CAD   180.00   0.0  0
 A48  CONST_20  CAB   CAA  CAE  CAD   180.00   0.0  0
 A48  CONST_21  CAJ   CAI  CAH  CAE   180.00   0.0  0
 A48  CONST_22  CAC   CAB  CAA  CAE   180.00   0.0  0
 A48  CONST_23  B     CAH  CAE  CAA   180.00   0.0  0
 A48  CONST_24  CAJ   CAI  CAF  CAB   180.00   0.0  0
 A48  CONST_25  CAI   CAF  CAB  CAC   180.00   0.0  0
 A48  CONST_26  B     CAH  CAI  CAF   180.00   0.0  0
 A48  CONST_27  CAK   CAL  CAM  B     180.00   0.0  0
 A48  CONST_28  CAU   CAV  CAM  B     180.00   0.0  0
 A48  CONST_29  CAR   CAQ  CAP  N     180.00   0.0  0
 A48  CONST_30  CAY   CAX  CAP  N     180.00   0.0  0
 A48  CONST_31  OBA   CAZ  CAR  CAQ   180.00   0.0  0
 A48  CONST_32  CAX   CAY  CAZ  OBA   180.00   0.0  0
 A48  CONST_33  CBB   CAV  CAM  CAL   180.00   0.0  0
 A48  CONST_34  CAS   CAT  CAK  CAL   180.00   0.0  0
 A48  CONST_35  CAV   CAM  CAL  CAG   180.00   0.0  0
 A48  CONST_36  CAT   CAK  CAL  CAG   180.00   0.0  0
 A48  CONST_37  CBB   CAV  CAU  CAT   180.00   0.0  0
 A48  CONST_38  CAV   CAU  CAT  CAS   180.00   0.0  0
 A48  CONST_39  HAF   CAF  CAB  CAA   180.00   0.0  0
 A48  CONST_40  HAA   CAA  CAB  CAF   180.00   0.0  0
 A48  CONST_41  HAR   CAR  CAQ  CAP   180.00   0.0  0
 A48  CONST_42  HAY   CAY  CAX  CAP   180.00   0.0  0
 A48  CONST_43  HAX   CAX  CAP  CAQ   180.00   0.0  0
 A48  CONST_44  HAQ   CAQ  CAR  CAZ   180.00   0.0  0
 A48  CONST_45  HAK   CAK  CAL  CAM   180.00   0.0  0
 A48  CONST_46  HAU   CAU  CAV  CAM   180.00   0.0  0
 A48  CONST_47  CAP   N    B    CAH     0.00   0.0  0
 A48  CONST_52  CAM   B    N    CAP   180.00   0.0  0
 A48  Var_01    CAM   B    CAH  CAE  -115.00  30.0  2
 A48  Var_02    CAL   CAM  B    CAH  -112.62  30.0  2
 A48  Var_03    HAD1  CAD  CAE  CAA   -53.24  30.0  2
 A48  Var_04    HAC1  CAC  CAB  CAA    74.60  30.0  2
 A48  Var_05    HAJ1  CAJ  CAI  CAF   125.91  30.0  2
 A48  Var_06    HAG1  CAG  CAL  CAM   127.31  30.0  2
 A48  Var_07    HBB1  CBB  CAV  CAM    62.22  30.0  2
 A48  Var_08    HAS1  CAS  CAT  CAK   105.26  30.0  2
 A48  Var_09    FBF   CBD  CAW  N      37.93  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
 A48  plan-1  CAD  0.020
 A48  plan-1  CAE  0.020
 A48  plan-1  CAA  0.020
 A48  plan-1  CAB  0.020
 A48  plan-1  CAC  0.020
 A48  plan-1  CAF  0.020
 A48  plan-1  CAI  0.020
 A48  plan-1  CAJ  0.020
 A48  plan-1  CAH  0.020
 A48  plan-1  B    0.020
 A48  plan-1  HAA  0.020
 A48  plan-1  HAF  0.020
 A48  plan-2  N    0.020
 A48  plan-2  CAP  0.020
 A48  plan-2  CAQ  0.020
 A48  plan-2  CAR  0.020
 A48  plan-2  CAZ  0.020
 A48  plan-2  OBA  0.020
 A48  plan-2  CAY  0.020
 A48  plan-2  CAX  0.020
 A48  plan-2  HAQ  0.020
 A48  plan-2  HAR  0.020
 A48  plan-2  HAY  0.020
 A48  plan-2  HAX  0.020
 A48  plan-3  B    0.020
 A48  plan-3  CAM  0.020
 A48  plan-3  CAL  0.020
 A48  plan-3  CAG  0.020
 A48  plan-3  CAK  0.020
 A48  plan-3  CAT  0.020
 A48  plan-3  CAS  0.020
 A48  plan-3  CAU  0.020
 A48  plan-3  CAV  0.020
 A48  plan-3  CBB  0.020
 A48  plan-3  HAK  0.020
 A48  plan-3  HAU  0.020
 A48  plan-4  B    0.020
 A48  plan-4  N    0.020
 A48  plan-4  CAW  0.020
 A48  plan-4  CAP  0.020

