# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Sat Apr 11 20:46:30 2020
#   Inital geometry file: a 161 line input string
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: C1CCN(C1)CCOc2ccc3Nc4nccc(n4)c5cccc(COC/C=C/COCc2c3)c5
#
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
 6T3  6T3  'None                     '  ligand  67  35  .  2021-08-05  2021-08-05  
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as PERFECT
;

data_comp_6T3
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
 6T3  C2   C  CR6   0   0.316  -4.0416   1.8622  -0.1360
 6T3  O1   O  O2    0  -0.460   3.5798   1.1473   1.1171
 6T3  N3   N  N     0  -0.500  -2.7663   2.1978   0.0436
 6T3  C4   C  CR6   0   0.593  -2.4600   3.4884   0.0543
 6T3  N2   N  N     0  -0.462  -3.3283   4.4974  -0.1023
 6T3  C6   C  CR16  0  -0.019  -4.5885   4.1513  -0.2829
 6T3  C7   C  CR16  0  -0.405  -5.0203   2.8340  -0.3087
 6T3  N14  N  NH1   0  -0.776  -1.1728   3.8809   0.2377
 6T3  C15  C  CR6   0   0.353  -0.0037   3.1446   0.4350
 6T3  C16  C  CR16  0  -0.356   0.0407   1.7853   0.7513
 6T3  C17  C  CR6   0  -0.009   1.2472   1.1325   0.9574
 6T3  C18  C  CR6   0   0.351   2.4507   1.8366   0.8618
 6T3  C19  C  CR16  0  -0.359   2.4168   3.1909   0.5461
 6T3  C20  C  CR16  0  -0.347   1.2054   3.8305   0.3338
 6T3  C22  C  CR6   0   0.077  -4.3537   0.4185  -0.1603
 6T3  C23  C  CR16  0  -0.324  -5.6297  -0.0481   0.1472
 6T3  C24  C  CR16  0  -0.226  -5.9042  -1.4080   0.1121
 6T3  C25  C  CR16  0  -0.288  -4.9156  -2.3119  -0.2437
 6T3  C26  C  CR6   0   0.108  -3.6344  -1.8637  -0.5606
 6T3  C27  C  CR16  0  -0.347  -3.3627  -0.5045  -0.4997
 6T3  C28  C  CH2   0  -0.191   1.2489  -0.3431   1.2233
 6T3  C29  C  CH2   0  -0.203  -2.5665  -2.8377  -0.9656
 6T3  O30  O  O2    0  -0.477  -2.2754  -3.6786   0.1276
 6T3  O31  O  O2    0  -0.472   1.6510  -0.9993   0.0409
 6T3  C32  C  CH2   0  -0.224   1.9141  -2.3765   0.2091
 6T3  C33  C  C1    0  -0.193   0.6655  -3.1564   0.4875
 6T3  C34  C  C1    0  -0.298   0.0825  -3.9554  -0.3996
 6T3  C35  C  CH2   0  -0.216  -1.2521  -4.6127  -0.1520
 6T3  C8   C  CH2   0  -0.208   4.7982   1.5996   0.5607
 6T3  C9   C  CH2   0  -0.294   5.8571   0.5395   0.7803
 6T3  N4   N  NR5   0  -0.404   5.4929  -0.7621   0.2845
 6T3  C11  C  CH2   0  -0.268   6.5118  -1.7690   0.4971
 6T3  C12  C  CH2   0  -0.453   5.9817  -2.9547  -0.2947
 6T3  C13  C  CH2   0  -0.485   5.3342  -2.2942  -1.5227
 6T3  C14  C  CH2   0  -0.272   5.1610  -0.8153  -1.1299
 6T3  H1   H  HCR6  0   0.276  -5.2975   4.9605  -0.4186
 6T3  H2   H  HCR6  0   0.272  -6.0590   2.5969  -0.4802
 6T3  H3   H  HNH1  0   0.406  -1.0499   4.8802   0.1743
 6T3  H4   H  HCR6  0   0.282  -0.8736   1.2179   0.8282
 6T3  H5   H  HCR6  0   0.275   3.3263   3.7716   0.4665
 6T3  H6   H  HCR6  0   0.270   1.2081   4.8872   0.0924
 6T3  H7   H  HCR6  0   0.259  -6.4137   0.6416   0.4327
 6T3  H8   H  HCR6  0   0.263  -6.8959  -1.7603   0.3627
 6T3  H9   H  HCR6  0   0.258  -5.1436  -3.3703  -0.2842
 6T3  H10  H  HCR6  0   0.252  -2.3697  -0.1469  -0.7433
 6T3  H11  H  HCH2  0   0.209   1.9198  -0.5969   2.0544
 6T3  H12  H  HCH2  0   0.213   0.2394  -0.6489   1.5252
 6T3  H13  H  HCH2  0   0.215  -2.9116  -3.4333  -1.8229
 6T3  H14  H  HCH2  0   0.225  -1.6764  -2.2899  -1.2971
 6T3  H15  H  HCH2  0   0.234   2.3630  -2.7178  -0.7262
 6T3  H16  H  HCH2  0   0.208   2.6595  -2.5268   1.0025
 6T3  H17  H  H     0   0.250   0.1922  -3.0043   1.4545
 6T3  H18  H  H     0   0.253   0.5485  -4.1092  -1.3690
 6T3  H19  H  HCH2  0   0.246  -1.2003  -5.2654   0.7218
 6T3  H20  H  HCH2  0   0.217  -1.5230  -5.2423  -1.0089
 6T3  H21  H  HCH2  0   0.224   4.6707   1.8096  -0.5071
 6T3  H22  H  HCH2  0   0.235   5.1374   2.5251   1.0391
 6T3  H23  H  HCH2  0   0.194   6.7798   0.9237   0.3074
 6T3  H24  H  HCH2  0   0.236   6.0708   0.4586   1.8502
 6T3  H26  H  HCH2  0   0.182   7.4968  -1.4573   0.1046
 6T3  H27  H  HCH2  0   0.228   6.6384  -1.9827   1.5613
 6T3  H28  H  HCH2  0   0.230   6.7653  -3.6657  -0.5561
 6T3  H29  H  HCH2  0   0.227   5.2357  -3.4887   0.2963
 6T3  H30  H  HCH2  0   0.234   5.9741  -2.3813  -2.4010
 6T3  H31  H  HCH2  0   0.236   4.3830  -2.7621  -1.7761
 6T3  H32  H  HCH2  0   0.234   4.1453  -0.4548  -1.2995
 6T3  H33  H  HCH2  0   0.192   5.8407  -0.1859  -1.7286

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
 6T3  C6   C7   aromatic  1.387  0.020  1.387
 6T3  C6   N2   aromatic  1.319  0.020  1.319
 6T3  C7   C2   single    1.390  0.020  1.390
 6T3  C23  C24  aromatic  1.388  0.020  1.388
 6T3  C23  C22  single    1.393  0.020  1.393
 6T3  C24  C25  aromatic  1.386  0.020  1.386
 6T3  N2   C4   single    1.340  0.020  1.340
 6T3  C2   C22  aromatic  1.477  0.020  1.477
 6T3  C2   N3   aromatic  1.331  0.020  1.331
 6T3  C22  C27  aromatic  1.396  0.020  1.396
 6T3  C25  C26  single    1.394  0.020  1.394
 6T3  C4   N3   aromatic  1.326  0.020  1.326
 6T3  C4   N14  single    1.358  0.020  1.358
 6T3  C35  C34  single    1.508  0.020  1.508
 6T3  C35  O30  single    1.413  0.020  1.413
 6T3  C33  C34  double    1.329  0.020  1.329
 6T3  C33  C32  single    1.498  0.020  1.498
 6T3  C27  C26  aromatic  1.387  0.020  1.387
 6T3  C26  C29  single    1.501  0.020  1.501
 6T3  N14  C15  single    1.396  0.020  1.396
 6T3  C32  O31  single    1.412  0.020  1.412
 6T3  O30  C29  single    1.410  0.020  1.410
 6T3  O31  C28  single    1.411  0.020  1.411
 6T3  C15  C16  aromatic  1.396  0.020  1.396
 6T3  C15  C20  single    1.394  0.020  1.394
 6T3  C16  C17  aromatic  1.387  0.020  1.387
 6T3  C28  C17  single    1.499  0.020  1.499
 6T3  C17  C18  single    1.398  0.020  1.398
 6T3  C20  C19  aromatic  1.386  0.020  1.386
 6T3  C18  C19  aromatic  1.391  0.020  1.391
 6T3  C18  O1   single    1.347  0.020  1.347
 6T3  C12  C11  single    1.521  0.020  1.521
 6T3  C12  C13  single    1.537  0.020  1.537
 6T3  C11  N4   single    1.448  0.020  1.448
 6T3  C14  N4   single    1.454  0.020  1.454
 6T3  C14  C13  single    1.540  0.020  1.540
 6T3  N4   C9   single    1.440  0.020  1.440
 6T3  O1   C8   single    1.414  0.020  1.414
 6T3  C8   C9   single    1.514  0.020  1.514
 6T3  C6   H1   single    0.930  0.020  1.080
 6T3  C7   H2   single    0.930  0.020  1.080
 6T3  N14  H3   single    0.860  0.020  1.020
 6T3  C16  H4   single    0.930  0.020  1.080
 6T3  C19  H5   single    0.930  0.020  1.080
 6T3  C20  H6   single    0.930  0.020  1.080
 6T3  C23  H7   single    0.930  0.020  1.080
 6T3  C24  H8   single    0.930  0.020  1.080
 6T3  C25  H9   single    0.930  0.020  1.080
 6T3  C27  H10  single    0.930  0.020  1.080
 6T3  C28  H11  single    0.970  0.020  1.090
 6T3  C28  H12  single    0.970  0.020  1.090
 6T3  C29  H13  single    0.970  0.020  1.090
 6T3  C29  H14  single    0.970  0.020  1.090
 6T3  C32  H15  single    0.970  0.020  1.090
 6T3  C32  H16  single    0.970  0.020  1.090
 6T3  C33  H17  single    0.930  0.020  1.080
 6T3  C34  H18  single    0.930  0.020  1.080
 6T3  C35  H19  single    0.970  0.020  1.090
 6T3  C35  H20  single    0.970  0.020  1.090
 6T3  C8   H21  single    0.970  0.020  1.090
 6T3  C8   H22  single    0.970  0.020  1.090
 6T3  C9   H23  single    0.970  0.020  1.090
 6T3  C9   H24  single    0.970  0.020  1.090
 6T3  C11  H26  single    0.970  0.020  1.090
 6T3  C11  H27  single    0.970  0.020  1.090
 6T3  C12  H28  single    0.970  0.020  1.090
 6T3  C12  H29  single    0.970  0.020  1.090
 6T3  C13  H30  single    0.970  0.020  1.090
 6T3  C13  H31  single    0.970  0.020  1.090
 6T3  C14  H32  single    0.970  0.020  1.090
 6T3  C14  H33  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
 6T3  C22  C2   C7   122.17  3.000
 6T3  C22  C2   N3   116.82  3.000
 6T3  C7   C2   N3   121.01  3.000
 6T3  C8   O1   C18  118.95  3.000
 6T3  C4   N3   C2   117.89  3.000
 6T3  N14  C4   N2   114.34  3.000
 6T3  N14  C4   N3   120.08  3.000
 6T3  N2   C4   N3   125.58  3.000
 6T3  C6   N2   C4   115.93  3.000
 6T3  H1   C6   C7   120.20  3.000
 6T3  H1   C6   N2   116.48  3.000
 6T3  C7   C6   N2   123.32  3.000
 6T3  H2   C7   C6   120.77  3.000
 6T3  H2   C7   C2   122.95  3.000
 6T3  C6   C7   C2   116.27  3.000
 6T3  H3   N14  C15  115.43  3.000
 6T3  H3   N14  C4   113.16  3.000
 6T3  C15  N14  C4   131.34  3.000
 6T3  C20  C15  C16  117.90  3.000
 6T3  C20  C15  N14  117.18  3.000
 6T3  C16  C15  N14  124.91  3.000
 6T3  H4   C16  C17  118.62  3.000
 6T3  H4   C16  C15  120.08  3.000
 6T3  C17  C16  C15  121.30  3.000
 6T3  C28  C17  C18  120.46  3.000
 6T3  C18  C17  C16  120.11  3.000
 6T3  C28  C17  C16  119.37  3.000
 6T3  C19  C18  C17  119.01  3.000
 6T3  C19  C18  O1   124.16  3.000
 6T3  C17  C18  O1   116.81  3.000
 6T3  H5   C19  C20  118.40  3.000
 6T3  H5   C19  C18  121.24  3.000
 6T3  C20  C19  C18  120.35  3.000
 6T3  H6   C20  C19  118.80  3.000
 6T3  H6   C20  C15  119.87  3.000
 6T3  C19  C20  C15  121.33  3.000
 6T3  C27  C22  C23  118.85  3.000
 6T3  C27  C22  C2   120.01  3.000
 6T3  C23  C22  C2   121.15  3.000
 6T3  H7   C23  C24  119.20  3.000
 6T3  H7   C23  C22  120.55  3.000
 6T3  C24  C23  C22  120.25  3.000
 6T3  H8   C24  C25  120.06  3.000
 6T3  H8   C24  C23  119.64  3.000
 6T3  C25  C24  C23  120.30  3.000
 6T3  H9   C25  C26  119.94  3.000
 6T3  H9   C25  C24  119.78  3.000
 6T3  C26  C25  C24  120.28  3.000
 6T3  C29  C26  C27  120.55  3.000
 6T3  C29  C26  C25  120.44  3.000
 6T3  C27  C26  C25  119.02  3.000
 6T3  H10  C27  C26  119.54  3.000
 6T3  H10  C27  C22  119.15  3.000
 6T3  C26  C27  C22  121.29  3.000
 6T3  H12  C28  H11  106.83  3.000
 6T3  H12  C28  O31  111.30  3.000
 6T3  H11  C28  O31  110.66  3.000
 6T3  H12  C28  C17  108.79  3.000
 6T3  H11  C28  C17  111.25  3.000
 6T3  O31  C28  C17  108.03  3.000
 6T3  H14  C29  H13  106.84  3.000
 6T3  H14  C29  O30  111.40  3.000
 6T3  H13  C29  O30  110.27  3.000
 6T3  H14  C29  C26  109.56  3.000
 6T3  H13  C29  C26  109.79  3.000
 6T3  O30  C29  C26  108.95  3.000
 6T3  C35  O30  C29  112.97  3.000
 6T3  C32  O31  C28  114.01  3.000
 6T3  H16  C32  H15  107.26  3.000
 6T3  H16  C32  C33  111.09  3.000
 6T3  H15  C32  C33  109.82  3.000
 6T3  H16  C32  O31  110.23  3.000
 6T3  H15  C32  O31  106.23  3.000
 6T3  C33  C32  O31  112.00  3.000
 6T3  H17  C33  C34  119.15  3.000
 6T3  H17  C33  C32  117.08  3.000
 6T3  C34  C33  C32  123.68  3.000
 6T3  H18  C34  C35  117.66  3.000
 6T3  H18  C34  C33  119.52  3.000
 6T3  C35  C34  C33  122.73  3.000
 6T3  H20  C35  H19  107.07  3.000
 6T3  H20  C35  C34  109.90  3.000
 6T3  H19  C35  C34  110.48  3.000
 6T3  H20  C35  O30  110.79  3.000
 6T3  H19  C35  O30  105.73  3.000
 6T3  C34  C35  O30  112.65  3.000
 6T3  H22  C8   H21  107.44  3.000
 6T3  H22  C8   C9   108.15  3.000
 6T3  H21  C8   C9   110.91  3.000
 6T3  H22  C8   O1   111.42  3.000
 6T3  H21  C8   O1   110.15  3.000
 6T3  C9   C8   O1   108.76  3.000
 6T3  H24  C9   H23  106.32  3.000
 6T3  H24  C9   N4   108.62  3.000
 6T3  H23  C9   N4   112.21  3.000
 6T3  H24  C9   C8   109.28  3.000
 6T3  H23  C9   C8   106.15  3.000
 6T3  N4   C9   C8   113.96  3.000
 6T3  C14  N4   C11  106.14  3.000
 6T3  C14  N4   C9   115.21  3.000
 6T3  C11  N4   C9   113.58  3.000
 6T3  H27  C11  H26  107.32  3.000
 6T3  H27  C11  C12  113.26  3.000
 6T3  H26  C11  C12  110.21  3.000
 6T3  H27  C11  N4   111.13  3.000
 6T3  H26  C11  N4   112.26  3.000
 6T3  C12  C11  N4   102.73  3.000
 6T3  H29  C12  H28  107.58  3.000
 6T3  H29  C12  C13  110.79  3.000
 6T3  H28  C12  C13  113.05  3.000
 6T3  H29  C12  C11  109.74  3.000
 6T3  H28  C12  C11  112.51  3.000
 6T3  C13  C12  C11  103.16  3.000
 6T3  H31  C13  H30  106.90  3.000
 6T3  H31  C13  C14  111.93  3.000
 6T3  H30  C13  C14  110.38  3.000
 6T3  H31  C13  C12  111.64  3.000
 6T3  H30  C13  C12  111.22  3.000
 6T3  C14  C13  C12  104.85  3.000
 6T3  H33  C14  H32  107.50  3.000
 6T3  H33  C14  C13  109.89  3.000
 6T3  H32  C14  C13  112.48  3.000
 6T3  H33  C14  N4   111.50  3.000
 6T3  H32  C14  N4   110.59  3.000
 6T3  C13  C14  N4   104.93  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
 6T3  CONST_01  N2   C6   C7   C2      0.00   0.0  0
 6T3  CONST_02  C24  C23  C22  C2    180.00   0.0  0
 6T3  CONST_03  C26  C27  C22  C2    180.00   0.0  0
 6T3  CONST_04  N2   C4   N3   C2      0.00   0.0  0
 6T3  CONST_05  C6   C7   C2   N3      0.00   0.0  0
 6T3  CONST_08  C6   N2   C4   N3      0.00   0.0  0
 6T3  CONST_09  C7   C6   N2   C4      0.00   0.0  0
 6T3  CONST_10  C7   C2   N3   C4      0.00   0.0  0
 6T3  CONST_11  C22  C2   N3   C4    180.00   0.0  0
 6T3  CONST_12  C22  C2   C7   C6    180.00   0.0  0
 6T3  CONST_15  C18  C17  C16  C15     0.00   0.0  0
 6T3  CONST_16  C18  C19  C20  C15     0.00   0.0  0
 6T3  CONST_17  C19  C20  C15  C16     0.00   0.0  0
 6T3  CONST_18  C19  C18  C17  C16     0.00   0.0  0
 6T3  CONST_19  C20  C15  C16  C17     0.00   0.0  0
 6T3  CONST_20  C20  C19  C18  C17     0.00   0.0  0
 6T3  CONST_21  C25  C24  C23  C22     0.00   0.0  0
 6T3  CONST_22  C25  C26  C27  C22     0.00   0.0  0
 6T3  CONST_23  C26  C25  C24  C23     0.00   0.0  0
 6T3  CONST_24  C26  C27  C22  C23     0.00   0.0  0
 6T3  CONST_25  C27  C22  C23  C24     0.00   0.0  0
 6T3  CONST_26  C27  C26  C25  C24     0.00   0.0  0
 6T3  CONST_27  C16  C17  C18  O1    180.00   0.0  0
 6T3  CONST_28  C28  C17  C18  O1      0.00   0.0  0
 6T3  CONST_29  C20  C19  C18  O1    180.00   0.0  0
 6T3  CONST_30  H1   C6   C7   C2    180.00   0.0  0
 6T3  CONST_31  H7   C23  C22  C2      0.00   0.0  0
 6T3  CONST_32  H10  C27  C22  C2      0.00   0.0  0
 6T3  CONST_33  H2   C7   C2   N3    180.00   0.0  0
 6T3  CONST_34  H4   C16  C15  N14     0.00   0.0  0
 6T3  CONST_35  H6   C20  C15  N14     0.00   0.0  0
 6T3  CONST_36  H5   C19  C20  C15   180.00   0.0  0
 6T3  CONST_37  H8   C24  C23  C22   180.00   0.0  0
 6T3  CONST_38  H9   C25  C24  C23   180.00   0.0  0
 6T3  Var_01    C35  C34  C33  C32  -173.14   0.0  0
 6T3  Var_02    C15  N14  C4   N3     -0.04  30.0  1
 6T3  Var_03    C16  C15  N14  C4    -13.55  30.0  1
 6T3  Var_04    O31  C28  C17  C16   103.29  30.0  1
 6T3  Var_05    O30  C29  C26  C25   -65.14  30.0  1
 6T3  Var_06    C33  C32  O31  C28    69.00  30.0  1
 6T3  Var_07    C34  C35  O30  C29    65.31  30.0  1
 6T3  Var_08    C33  C34  C35  O30    57.24  30.0  1
 6T3  Var_09    C34  C33  C32  O31   106.37  30.0  1
 6T3  Var_10    C13  C12  C11  N4     36.60  30.0  1
 6T3  Var_11    C12  C13  C14  N4     -8.57  30.0  1
 6T3  Var_12    C14  C13  C12  C11   -16.92  30.0  1
 6T3  Var_13    C13  C14  N4   C11    32.70  30.0  1
 6T3  Var_14    C14  N4   C11  C12   -43.84  30.0  1
 6T3  Var_15    H17  C33  C34  C35     3.18   0.0  0
 6T3  Var_16    C11  N4   C9   C8    179.93  30.0  2
 6T3  Var_17    N4   C9   C8   O1     54.51  30.0  3
 6T3  Var_18    C9   C8   O1   C18  -169.99  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
 6T3  plan-1  C2   0.020
 6T3  plan-1  N3   0.020
 6T3  plan-1  C4   0.020
 6T3  plan-1  N2   0.020
 6T3  plan-1  C6   0.020
 6T3  plan-1  C7   0.020
 6T3  plan-1  N14  0.020
 6T3  plan-1  C22  0.020
 6T3  plan-1  H1   0.020
 6T3  plan-1  H2   0.020
 6T3  plan-2  O1   0.020
 6T3  plan-2  N14  0.020
 6T3  plan-2  C15  0.020
 6T3  plan-2  C16  0.020
 6T3  plan-2  C17  0.020
 6T3  plan-2  C18  0.020
 6T3  plan-2  C19  0.020
 6T3  plan-2  C20  0.020
 6T3  plan-2  C28  0.020
 6T3  plan-2  H4   0.020
 6T3  plan-2  H5   0.020
 6T3  plan-2  H6   0.020
 6T3  plan-3  C2   0.020
 6T3  plan-3  C22  0.020
 6T3  plan-3  C23  0.020
 6T3  plan-3  C24  0.020
 6T3  plan-3  C25  0.020
 6T3  plan-3  C26  0.020
 6T3  plan-3  C27  0.020
 6T3  plan-3  C29  0.020
 6T3  plan-3  H7   0.020
 6T3  plan-3  H8   0.020
 6T3  plan-3  H9   0.020
 6T3  plan-3  H10  0.020
 6T3  plan-4  C32  0.020
 6T3  plan-4  C33  0.020
 6T3  plan-4  C34  0.020
 6T3  plan-4  C35  0.020
 6T3  plan-4  H17  0.020
 6T3  plan-4  H18  0.020

