# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Fri Apr 10 17:53:32 2020
#   Inital geometry file: a 147 line input string
#   Ligand name: N-[(3-{4-amino-5-[3-(benzyloxy)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-7-yl}cyclobutyl)methyl]acetamide
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: CC(=O)NCC1CC(C1)n2cc(c3cccc(OCc4ccccc4)c3)c5c(N)ncnc25
#
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
 6LO  6LO  N-[(3-{4-amino-5-[3-(benzyloxy)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-7-yl}cyclobutyl)methyl]acetamide  ligand  60  33  .  2021-08-05  2023-02-02
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as OK (reasonable std)
;

data_comp_6LO
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
 6LO  C4   C  CR56  0   0.509   2.9292   1.9473  -0.6795
 6LO  C5   C  CR56  0  -0.104   1.8239   2.6351  -0.1644
 6LO  C6   C  CR6   0   0.397   1.9373   4.0423  -0.1871
 6LO  N1   N  N     0  -0.475   3.0761   4.5989  -0.6097
 6LO  N3   N  N     0  -0.466   4.0666   2.4950  -1.1132
 6LO  CAD  C  C     0  -0.112   3.6187  -0.3944  -1.0592
 6LO  NAE  N  NR5   0  -0.520   2.6540   0.6177  -0.6772
 6LO  CAF  C  CR15  0  -0.050   1.3995   0.4420  -0.1518
 6LO  C2   C  CR16  0   0.036   4.0599   3.8092  -1.0325
 6LO  NAX  N  NH2   0  -0.824   0.9567   4.8682   0.2078
 6LO  CAG  C  CR5   0  -0.016   0.8424   1.6478   0.1790
 6LO  CAH  C  CR6   0   0.044  -0.4820   1.8209   0.7849
 6LO  CAM  C  CR16  0  -0.422  -1.5799   1.1459   0.2642
 6LO  CAI  C  CR16  0  -0.369  -0.6571   2.6366   1.9090
 6LO  CAJ  C  CR16  0  -0.221  -1.9122   2.7656   2.4765
 6LO  CAK  C  CR16  0  -0.397  -3.0128   2.0919   1.9588
 6LO  CAL  C  CR6   0   0.412  -2.8420   1.2712   0.8467
 6LO  OAN  O  O2    0  -0.470  -3.8314   0.5719   0.2564
 6LO  CAO  C  CH2   0  -0.269  -5.1486   0.6771   0.7827
 6LO  CAP  C  CR6   0   0.101  -6.0365  -0.1817  -0.0651
 6LO  CAQ  C  CR16  0  -0.293  -6.2576  -1.5143   0.2691
 6LO  CAR  C  CR16  0  -0.242  -7.0559  -2.3191  -0.5324
 6LO  CAS  C  CR16  0  -0.261  -7.6383  -1.7963  -1.6798
 6LO  CAT  C  CR16  0  -0.243  -7.4206  -0.4676  -2.0219
 6LO  CAU  C  CR16  0  -0.291  -6.6225   0.3340  -1.2175
 6LO  H4   H  HCR5  0   0.296   0.9787  -0.5416  -0.0196
 6LO  H5   H  HCR6  0   0.246   4.9615   4.3179  -1.3585
 6LO  H6   H  HNH2  0   0.409   0.0254   4.5286   0.3717
 6LO  H7   H  HNH2  0   0.397   1.0640   5.8556   0.0486
 6LO  H8   H  HCR6  0   0.254  -1.4669   0.5228  -0.6150
 6LO  H9   H  HCR6  0   0.260   0.1909   3.1434   2.3512
 6LO  H10  H  HCR6  0   0.262  -2.0432   3.3940   3.3479
 6LO  H11  H  HCR6  0   0.282  -3.9775   2.2174   2.4308
 6LO  H12  H  HCH2  0   0.242  -5.1711   0.3418   1.8249
 6LO  H13  H  HCH2  0   0.242  -5.4848   1.7189   0.7587
 6LO  H14  H  HCR6  0   0.255  -5.8071  -1.9243   1.1654
 6LO  H15  H  HCR6  0   0.258  -7.2252  -3.3529  -0.2608
 6LO  H16  H  HCR6  0   0.259  -8.2645  -2.4213  -2.3031
 6LO  H17  H  HCR6  0   0.258  -7.8749  -0.0550  -2.9132
 6LO  H18  H  HCR6  0   0.255  -6.4597   1.3717  -1.4845
 6LO  C1   C  C     0  -0.429   4.5198  -0.8641   0.1053
 6LO  C3   C  C     0  -0.291   3.6360  -2.1178   0.2512
 6LO  C7   C  C     0  -0.469   3.0584  -1.8245  -1.1478
 6LO  C8   C  CH2   0  -0.244   4.3307  -3.4426   0.4641
 6LO  N2   N  NH1   0  -0.630   3.3689  -4.5223   0.3988
 6LO  C10  C  C     0   0.521   3.7076  -5.8084   0.2198
 6LO  O1   O  O     0  -0.512   4.8678  -6.1706   0.0668
 6LO  C12  C  CH3   0  -0.777   2.5601  -6.7880   0.2184
 6LO  H1   H  H     0   0.269   4.1376  -0.0305  -1.9439
 6LO  H2   H  H     0   0.246   5.5233  -1.1063  -0.2480
 6LO  H3   H  H     0   0.256   4.5993  -0.1969   0.9629
 6LO  H19  H  H     0   0.257   2.8803  -1.9664   1.0282
 6LO  H20  H  H     0   0.259   1.9896  -1.9588  -1.3128
 6LO  H21  H  H     0   0.263   3.5886  -2.3784  -1.9242
 6LO  H22  H  HCH2  0   0.234   5.0873  -3.5883  -0.3099
 6LO  H23  H  HCH2  0   0.243   4.8527  -3.4408   1.4274
 6LO  H24  H  HNH1  0   0.400   2.4055  -4.3018   0.5919
 6LO  H25  H  HCH3  0   0.247   1.5817  -6.3141   0.2746
 6LO  H26  H  HCH3  0   0.264   2.6001  -7.3929  -0.6868
 6LO  H27  H  HCH3  0   0.266   2.6625  -7.4654   1.0664

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
 6LO  CAD  NAE  single    1.449  0.020  1.449
 6LO  N3   C2   aromatic  1.317  0.020  1.317
 6LO  N3   C4   aromatic  1.335  0.020  1.335
 6LO  C2   N1   aromatic  1.331  0.020  1.331
 6LO  NAE  C4   aromatic  1.358  0.020  1.358
 6LO  NAE  CAF  aromatic  1.371  0.020  1.371
 6LO  C4   C5   aromatic  1.400  0.020  1.400
 6LO  CAT  CAS  aromatic  1.389  0.020  1.389
 6LO  CAT  CAU  aromatic  1.388  0.020  1.388
 6LO  N1   C6   aromatic  1.336  0.020  1.336
 6LO  CAF  CAG  aromatic  1.369  0.020  1.369
 6LO  CAS  CAR  aromatic  1.389  0.020  1.389
 6LO  C5   C6   aromatic  1.412  0.020  1.412
 6LO  C5   CAG  aromatic  1.434  0.020  1.434
 6LO  C6   NAX  single    1.341  0.020  1.341
 6LO  CAU  CAP  aromatic  1.392  0.020  1.392
 6LO  CAG  CAH  single    1.467  0.020  1.467
 6LO  CAM  CAH  aromatic  1.390  0.020  1.390
 6LO  CAM  CAL  aromatic  1.396  0.020  1.396
 6LO  OAN  CAL  single    1.348  0.020  1.348
 6LO  OAN  CAO  single    1.422  0.020  1.422
 6LO  CAR  CAQ  aromatic  1.388  0.020  1.388
 6LO  CAP  CAQ  aromatic  1.392  0.020  1.392
 6LO  CAP  CAO  single    1.498  0.020  1.498
 6LO  CAH  CAI  aromatic  1.400  0.020  1.400
 6LO  CAL  CAK  aromatic  1.393  0.020  1.393
 6LO  CAI  CAJ  aromatic  1.383  0.020  1.383
 6LO  CAK  CAJ  aromatic  1.390  0.020  1.390
 6LO  CAF  H4   single    0.930  0.020  1.080
 6LO  C2   H5   single    0.930  0.020  1.080
 6LO  NAX  H6   single    0.890  0.020  1.040
 6LO  NAX  H7   single    0.890  0.020  1.040
 6LO  CAM  H8   single    0.930  0.020  1.080
 6LO  CAI  H9   single    0.930  0.020  1.080
 6LO  CAJ  H10  single    0.930  0.020  1.080
 6LO  CAK  H11  single    0.930  0.020  1.080
 6LO  CAO  H12  single    0.970  0.020  1.090
 6LO  CAO  H13  single    0.970  0.020  1.090
 6LO  CAQ  H14  single    0.930  0.020  1.080
 6LO  CAR  H15  single    0.930  0.020  1.080
 6LO  CAS  H16  single    0.930  0.020  1.080
 6LO  CAT  H17  single    0.930  0.020  1.080
 6LO  CAU  H18  single    0.930  0.020  1.080
 6LO  CAD  C1   single    1.546  0.020  1.546
 6LO  C1   C3   single    1.541  0.020  1.541
 6LO  C3   C7   single    1.542  0.020  1.542
 6LO  C7   CAD  single    1.538  0.020  1.538
 6LO  C3   C8   single    1.511  0.020  1.511
 6LO  C8   N2   single    1.447  0.020  1.447
 6LO  N2   C10  single    1.342  0.020  1.342
 6LO  C10  O1   double    1.225  0.020  1.225
 6LO  C10  C12  single    1.509  0.020  1.509
 6LO  CAD  H1   single    0.970  0.020  1.090
 6LO  C1   H2   single    0.970  0.020  1.090
 6LO  C1   H3   single    0.970  0.020  1.090
 6LO  C3   H19  single    0.970  0.020  1.090
 6LO  C7   H20  single    0.970  0.020  1.090
 6LO  C7   H21  single    0.970  0.020  1.090
 6LO  C8   H22  single    0.970  0.020  1.090
 6LO  C8   H23  single    0.970  0.020  1.090
 6LO  N2   H24  single    0.860  0.020  1.020
 6LO  C12  H25  single    0.970  0.020  1.090
 6LO  C12  H26  single    0.970  0.020  1.090
 6LO  C12  H27  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
 6LO  NAE  C4   N3   125.10  3.000
 6LO  NAE  C4   C5   108.69  3.000
 6LO  N3   C4   C5   126.21  3.000
 6LO  CAG  C5   C6   138.16  3.000
 6LO  CAG  C5   C4   106.88  3.000
 6LO  C6   C5   C4   114.85  3.000
 6LO  NAX  C6   N1   117.37  3.000
 6LO  NAX  C6   C5   123.38  3.000
 6LO  N1   C6   C5   119.25  3.000
 6LO  C2   N1   C6   118.92  3.000
 6LO  C2   N3   C4   112.66  3.000
 6LO  H1   CAD  C7   115.96  3.000
 6LO  H1   CAD  C1   115.86  3.000
 6LO  C7   CAD  C1    88.47  3.000
 6LO  H1   CAD  NAE  107.34  3.000
 6LO  C7   CAD  NAE  114.95  3.000
 6LO  C1   CAD  NAE  113.68  3.000
 6LO  CAF  NAE  CAD  128.34  3.000
 6LO  CAF  NAE  C4   108.15  3.000
 6LO  CAD  NAE  C4   123.26  3.000
 6LO  H4   CAF  CAG  127.97  3.000
 6LO  H4   CAF  NAE  121.40  3.000
 6LO  CAG  CAF  NAE  110.61  3.000
 6LO  H5   C2   N3   116.44  3.000
 6LO  H5   C2   N1   115.56  3.000
 6LO  N3   C2   N1   127.99  3.000
 6LO  H7   NAX  H6   117.16  3.000
 6LO  H7   NAX  C6   118.67  3.000
 6LO  H6   NAX  C6   121.17  3.000
 6LO  CAH  CAG  CAF  124.84  3.000
 6LO  CAH  CAG  C5   129.48  3.000
 6LO  CAF  CAG  C5   105.67  3.000
 6LO  CAI  CAH  CAM  119.01  3.000
 6LO  CAI  CAH  CAG  120.90  3.000
 6LO  CAM  CAH  CAG  120.07  3.000
 6LO  H8   CAM  CAL  118.99  3.000
 6LO  H8   CAM  CAH  120.06  3.000
 6LO  CAL  CAM  CAH  120.95  3.000
 6LO  H9   CAI  CAJ  119.97  3.000
 6LO  H9   CAI  CAH  120.19  3.000
 6LO  CAJ  CAI  CAH  119.82  3.000
 6LO  H10  CAJ  CAK  119.03  3.000
 6LO  H10  CAJ  CAI  119.62  3.000
 6LO  CAK  CAJ  CAI  121.35  3.000
 6LO  H11  CAK  CAL  121.76  3.000
 6LO  H11  CAK  CAJ  119.17  3.000
 6LO  CAL  CAK  CAJ  119.06  3.000
 6LO  OAN  CAL  CAK  124.43  3.000
 6LO  CAK  CAL  CAM  119.81  3.000
 6LO  OAN  CAL  CAM  115.76  3.000
 6LO  CAO  OAN  CAL  118.65  3.000
 6LO  H13  CAO  H12  107.81  3.000
 6LO  H13  CAO  CAP  110.55  3.000
 6LO  H12  CAO  CAP  110.54  3.000
 6LO  H13  CAO  OAN  110.28  3.000
 6LO  H12  CAO  OAN  110.40  3.000
 6LO  CAP  CAO  OAN  107.28  3.000
 6LO  CAU  CAP  CAQ  119.13  3.000
 6LO  CAQ  CAP  CAO  120.47  3.000
 6LO  CAU  CAP  CAO  120.37  3.000
 6LO  H14  CAQ  CAR  119.81  3.000
 6LO  H14  CAQ  CAP  119.66  3.000
 6LO  CAR  CAQ  CAP  120.52  3.000
 6LO  H15  CAR  CAS  120.09  3.000
 6LO  H15  CAR  CAQ  119.92  3.000
 6LO  CAS  CAR  CAQ  119.99  3.000
 6LO  H16  CAS  CAT  120.08  3.000
 6LO  H16  CAS  CAR  120.07  3.000
 6LO  CAT  CAS  CAR  119.85  3.000
 6LO  H17  CAT  CAU  119.90  3.000
 6LO  H17  CAT  CAS  120.11  3.000
 6LO  CAU  CAT  CAS  119.99  3.000
 6LO  H18  CAU  CAT  119.78  3.000
 6LO  H18  CAU  CAP  119.70  3.000
 6LO  CAT  CAU  CAP  120.52  3.000
 6LO  H3   C1   H2   108.88  3.000
 6LO  H3   C1   C3   117.75  3.000
 6LO  H2   C1   C3   112.19  3.000
 6LO  H3   C1   CAD  116.71  3.000
 6LO  H2   C1   CAD  111.08  3.000
 6LO  C3   C1   CAD   89.09  3.000
 6LO  H19  C3   C8   109.79  3.000
 6LO  H19  C3   C7   111.05  3.000
 6LO  C8   C3   C7   117.84  3.000
 6LO  H19  C3   C1   110.53  3.000
 6LO  C8   C3   C1   117.58  3.000
 6LO  C7   C3   C1    88.52  3.000
 6LO  H21  C7   H20  107.84  3.000
 6LO  H21  C7   C3   111.53  3.000
 6LO  H20  C7   C3   118.77  3.000
 6LO  H21  C7   CAD  109.63  3.000
 6LO  H20  C7   CAD  118.72  3.000
 6LO  C3   C7   CAD   89.32  3.000
 6LO  H23  C8   H22  107.05  3.000
 6LO  H23  C8   N2   110.94  3.000
 6LO  H22  C8   N2   109.20  3.000
 6LO  H23  C8   C3   109.97  3.000
 6LO  H22  C8   C3   109.61  3.000
 6LO  N2   C8   C3   110.01  3.000
 6LO  H24  N2   C10  118.48  3.000
 6LO  H24  N2   C8   117.63  3.000
 6LO  C10  N2   C8   123.58  3.000
 6LO  C12  C10  O1   121.89  3.000
 6LO  C12  C10  N2   115.49  3.000
 6LO  O1   C10  N2   122.62  3.000
 6LO  H27  C12  H26  107.33  3.000
 6LO  H27  C12  H25  108.35  3.000
 6LO  H26  C12  H25  108.52  3.000
 6LO  H27  C12  C10  109.35  3.000
 6LO  H26  C12  C10  109.47  3.000
 6LO  H25  C12  C10  113.64  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
 6LO  CONST_01  N1   C2   N3   C4     0.00   0.0  0
 6LO  CONST_02  CAG  CAF  NAE  C4     0.00   0.0  0
 6LO  CONST_03  N1   C6   C5   C4     0.00   0.0  0
 6LO  CONST_04  CAF  CAG  C5   C4     0.00   0.0  0
 6LO  CONST_05  CAH  CAG  C5   C4   180.00   0.0  0
 6LO  CONST_06  C2   N3   C4   C5     0.00   0.0  0
 6LO  CONST_07  CAF  NAE  C4   C5     0.00   0.0  0
 6LO  CONST_08  C2   N1   C6   C5     0.00   0.0  0
 6LO  CONST_09  NAE  CAF  CAG  C5     0.00   0.0  0
 6LO  CONST_12  N3   C2   N1   C6     0.00   0.0  0
 6LO  CONST_13  N3   C4   C5   C6     0.00   0.0  0
 6LO  CONST_14  NAE  C4   C5   C6   180.00   0.0  0
 6LO  CONST_15  CAF  CAG  C5   C6   180.00   0.0  0
 6LO  CONST_16  CAH  CAG  C5   C6     0.00   0.0  0
 6LO  CONST_17  CAG  C5   C6   N1   180.00   0.0  0
 6LO  CONST_18  CAF  NAE  C4   N3   180.00   0.0  0
 6LO  CONST_19  CAG  C5   C4   N3   180.00   0.0  0
 6LO  CONST_20  C2   N3   C4   NAE  180.00   0.0  0
 6LO  CONST_21  CAG  C5   C4   NAE    0.00   0.0  0
 6LO  CONST_22  CAH  CAG  CAF  NAE  180.00   0.0  0
 6LO  CONST_25  CAL  CAM  CAH  CAG  180.00   0.0  0
 6LO  CONST_26  CAJ  CAI  CAH  CAG  180.00   0.0  0
 6LO  CONST_27  CAK  CAL  CAM  CAH    0.00   0.0  0
 6LO  CONST_28  CAK  CAJ  CAI  CAH    0.00   0.0  0
 6LO  CONST_29  CAJ  CAI  CAH  CAM    0.00   0.0  0
 6LO  CONST_30  CAJ  CAK  CAL  CAM    0.00   0.0  0
 6LO  CONST_31  CAL  CAM  CAH  CAI    0.00   0.0  0
 6LO  CONST_32  CAL  CAK  CAJ  CAI    0.00   0.0  0
 6LO  CONST_33  CAS  CAT  CAU  CAP    0.00   0.0  0
 6LO  CONST_34  CAS  CAR  CAQ  CAP    0.00   0.0  0
 6LO  CONST_35  CAT  CAS  CAR  CAQ    0.00   0.0  0
 6LO  CONST_36  CAT  CAU  CAP  CAQ    0.00   0.0  0
 6LO  CONST_37  CAU  CAT  CAS  CAR    0.00   0.0  0
 6LO  CONST_38  CAU  CAP  CAQ  CAR    0.00   0.0  0
 6LO  CONST_39  CAD  NAE  C4   C5   180.00   0.0  0
 6LO  CONST_40  CAD  NAE  C4   N3     0.00   0.0  0
 6LO  CONST_41  CAG  CAF  NAE  CAD  180.00   0.0  0
 6LO  CONST_42  NAX  C6   C5   C4   180.00   0.0  0
 6LO  CONST_43  NAX  C6   N1   C2   180.00   0.0  0
 6LO  CONST_44  CAG  C5   C6   NAX    0.00   0.0  0
 6LO  CONST_45  OAN  CAL  CAM  CAH  180.00   0.0  0
 6LO  CONST_46  OAN  CAL  CAK  CAJ  180.00   0.0  0
 6LO  CONST_47  CAT  CAU  CAP  CAO  180.00   0.0  0
 6LO  CONST_48  CAR  CAQ  CAP  CAO  180.00   0.0  0
 6LO  CONST_49  H5   C2   N3   C4   180.00   0.0  0
 6LO  CONST_50  H4   CAF  NAE  C4   180.00   0.0  0
 6LO  CONST_51  H8   CAM  CAH  CAG    0.00   0.0  0
 6LO  CONST_52  H9   CAI  CAH  CAG    0.00   0.0  0
 6LO  CONST_53  H10  CAJ  CAI  CAH  180.00   0.0  0
 6LO  CONST_54  H11  CAK  CAL  CAM  180.00   0.0  0
 6LO  CONST_55  H17  CAT  CAU  CAP  180.00   0.0  0
 6LO  CONST_56  H15  CAR  CAQ  CAP  180.00   0.0  0
 6LO  CONST_57  H16  CAS  CAR  CAQ  180.00   0.0  0
 6LO  CONST_58  H18  CAU  CAP  CAQ  180.00   0.0  0
 6LO  CONST_59  H14  CAQ  CAR  CAS  180.00   0.0  0
 6LO  CONST_60  H6   NAX  C6   C5     0.00   0.0  0
 6LO  CONST_61  H7   NAX  C6   C5   180.00   0.0  0
 6LO  CONST_62  O1   C10  N2   C8     0.00   0.0  0
 6LO  CONST_63  C12  C10  N2   C8   180.00   0.0  0
 6LO  CONST_64  H24  N2   C10  O1   180.00   0.0  0
 6LO  Var_01    CAP  CAO  OAN  CAL  179.38  30.0  3
 6LO  Var_02    CAU  CAP  CAO  OAN  -87.26  30.0  3
 6LO  Var_03    C10  N2   C8   C3   162.93  30.0  3
 6LO  Var_04    H25  C12  C10  N2     5.22  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
 6LO  chir_01  CAD  NAE  C1  C7  negativ
 6LO  chir_02  C3   C1   C7  C8  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
 6LO  plan-1  CAG  0.020
 6LO  plan-1  CAH  0.020
 6LO  plan-1  CAM  0.020
 6LO  plan-1  CAI  0.020
 6LO  plan-1  CAJ  0.020
 6LO  plan-1  CAK  0.020
 6LO  plan-1  CAL  0.020
 6LO  plan-1  OAN  0.020
 6LO  plan-1  H8   0.020
 6LO  plan-1  H9   0.020
 6LO  plan-1  H10  0.020
 6LO  plan-1  H11  0.020
 6LO  plan-2  CAO  0.020
 6LO  plan-2  CAP  0.020
 6LO  plan-2  CAQ  0.020
 6LO  plan-2  CAR  0.020
 6LO  plan-2  CAS  0.020
 6LO  plan-2  CAT  0.020
 6LO  plan-2  CAU  0.020
 6LO  plan-2  H14  0.020
 6LO  plan-2  H15  0.020
 6LO  plan-2  H16  0.020
 6LO  plan-2  H17  0.020
 6LO  plan-2  H18  0.020
 6LO  plan-3  C4   0.020
 6LO  plan-3  C5   0.020
 6LO  plan-3  C6   0.020
 6LO  plan-3  N1   0.020
 6LO  plan-3  N3   0.020
 6LO  plan-3  CAD  0.020
 6LO  plan-3  NAE  0.020
 6LO  plan-3  CAF  0.020
 6LO  plan-3  C2   0.020
 6LO  plan-3  NAX  0.020
 6LO  plan-3  CAG  0.020
 6LO  plan-3  CAH  0.020
 6LO  plan-3  H4   0.020
 6LO  plan-3  H5   0.020
 6LO  plan-4  C6   0.020
 6LO  plan-4  NAX  0.020
 6LO  plan-4  H6   0.020
 6LO  plan-4  H7   0.020
 6LO  plan-5  C8   0.020
 6LO  plan-5  N2   0.020
 6LO  plan-5  C10  0.020
 6LO  plan-5  O1   0.020
 6LO  plan-5  C12  0.020
 6LO  plan-5  H24  0.020

