# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Sat Apr 25 09:28:38 2020
#   Inital geometry file: a 160 line input string
#   Ligand name: 3'-amino-5'-[(2S,4R)-6-carbamimidoyl-4-phenyl-1,2,3,4-tetrahydroquinolin-2-yl]biphenyl-2-carboxylic acid
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: NC(=N)c1ccc2N[C@@H](C[C@H](c3ccccc3)c2c1)c4cc(N)cc(c4)c5ccccc5C(O)=O
#
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
 1T7  1T7  '3'-amino-5'-[(2S,4R)-6-carbamimidoyl-4-phenyl-1,2,3,4-tetrahydroquinolin-2-yl]biphenyl-2-carboxylic acid'  ligand  61  35  .  2021-08-03  2021-08-03  
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as PERFECT
;

data_comp_1T7
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
 1T7  C1   C  CR6   0   0.092  -4.6924   0.7256   0.4716
 1T7  C2   C  CR16  0  -0.290  -4.6294   2.0406   0.9268
 1T7  C3   C  CR16  0  -0.232  -5.7089   2.6354   1.5627
 1T7  C4   C  CR16  0  -0.255  -6.8864   1.9244   1.7397
 1T7  C5   C  CR16  0  -0.248  -6.9701   0.6170   1.2890
 1T7  C6   C  CR6   0  -0.091  -5.8789   0.0065   0.6717
 1T7  C7   C  CR6   0   0.098   3.0425  -0.4395   0.4086
 1T7  C8   C  CR6   0   0.346   2.2779  -1.5934   0.1560
 1T7  N9   N  NH1   0  -0.710   0.9244  -1.5258  -0.0417
 1T7  C10  C  CH1   0  -0.123   0.1789  -0.3378   0.3043
 1T7  C11  C  CH2   0  -0.423   0.9835   0.8816  -0.1354
 1T7  C12  C  CH1   0  -0.369   2.3593   0.9074   0.5358
 1T7  C13  C  CR6   0   0.033   5.0655  -1.7961   0.5176
 1T7  C14  C  CR16  0  -0.302   4.2948  -2.9302   0.2574
 1T7  C15  C  CR16  0  -0.350   2.9300  -2.8318   0.0790
 1T7  C16  C  CR16  0  -0.337   4.4106  -0.5676   0.5768
 1T7  C17  C  C     0   0.328   6.5354  -1.8529   0.7040
 1T7  N18  N  NH2   0  -0.828   7.0478  -3.0917   0.9839
 1T7  N19  N  N     0  -0.659   7.2259  -0.7861   0.5503
 1T7  C20  C  CR6   0   0.159   3.1920   2.0436  -0.0070
 1T7  C21  C  CR6   0   0.142  -1.1794  -0.3457  -0.3540
 1T7  C22  C  CR16  0  -0.406  -2.2777   0.1404   0.3463
 1T7  C23  C  CR6   0   0.103  -3.5291   0.1754  -0.2614
 1T7  C24  C  CR16  0  -0.381  -3.6762  -0.2587  -1.5716
 1T7  C25  C  CR6   0   0.346  -2.5806  -0.7479  -2.2887
 1T7  C26  C  CR16  0  -0.393  -1.3313  -0.7887  -1.6596
 1T7  C27  C  CR16  0  -0.335   3.5240   3.1271   0.7984
 1T7  C28  C  CR16  0  -0.240   4.2723   4.1870   0.2975
 1T7  C29  C  CR16  0  -0.273   4.6972   4.1745  -1.0223
 1T7  C30  C  CR16  0  -0.240   4.3706   3.0955  -1.8369
 1T7  C31  C  CR16  0  -0.295   3.6262   2.0407  -1.3325
 1T7  N32  N  NH2   0  -0.866  -2.7145  -1.1262  -3.6074
 1T7  C33  C  C     0   0.463  -5.9584  -1.4425   0.3426
 1T7  O34  O  OH1   0  -0.590  -7.1623  -1.7939  -0.0936
 1T7  O35  O  O     0  -0.422  -5.0505  -2.2211   0.4866
 1T7  H36  H  HCR6  0   0.262  -3.7247   2.6121   0.7622
 1T7  H37  H  HCR6  0   0.267  -5.6308   3.6575   1.9091
 1T7  H38  H  HCR6  0   0.266  -7.7354   2.3815   2.2298
 1T7  H39  H  HCR6  0   0.271  -7.8847   0.0618   1.4486
 1T7  H41  H  HCH1  0   0.245   0.0277  -0.2717   1.3917
 1T7  H42  H  HCH2  0   0.243   1.0925   0.8610  -1.2231
 1T7  H43  H  HCH2  0   0.261   0.4356   1.7895   0.1199
 1T7  H44  H  HCH1  0   0.271   2.1945   1.1014   1.6023
 1T7  H45  H  HCR6  0   0.249   4.7524  -3.9078   0.1684
 1T7  H46  H  HCR6  0   0.256   2.3504  -3.7230  -0.1320
 1T7  H47  H  HCR6  0   0.243   5.0011   0.3203   0.7656
 1T7  H48  H  HNH2  0   0.391   6.4685  -3.7424   1.4881
 1T7  H50  H  H     0   0.318   8.2089  -0.9583   0.7434
 1T7  H51  H  HCR6  0   0.240  -2.1628   0.4686   1.3728
 1T7  H52  H  HCR6  0   0.249  -4.6484  -0.2154  -2.0508
 1T7  H53  H  HCR6  0   0.251  -0.4737  -1.1692  -2.2035
 1T7  H54  H  HCR6  0   0.248   3.1966   3.1442   1.8316
 1T7  H55  H  HCR6  0   0.253   4.5239   5.0190   0.9428
 1T7  H56  H  HCR6  0   0.253   5.2798   4.9972  -1.4160
 1T7  H57  H  HCR6  0   0.253   4.6996   3.0760  -2.8680
 1T7  H58  H  HCR6  0   0.245   3.3899   1.2011  -1.9767
 1T7  H60  H  HNH2  0   0.378  -3.6448  -1.3812  -3.8975
 1T7  H59  H  HNH2  0   0.379  -2.0261  -1.7790  -3.9458
 1T7  H61  H  HOH1  0   0.487  -7.1982  -2.7533  -0.2259
 1T7  H49  H  HNH2  0   0.387   8.0166  -3.1301   1.2585
 1T7  H40  H  HNH1  0   0.382   0.4256  -2.3962   0.0585

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
 1T7  O35  C33  double    1.205  0.020  1.205
 1T7  N32  C25  single    1.378  0.020  1.378
 1T7  C33  C6   single    1.488  0.020  1.488
 1T7  C33  O34  single    1.328  0.020  1.328
 1T7  C5   C4   aromatic  1.385  0.020  1.385
 1T7  C5   C6   aromatic  1.394  0.020  1.394
 1T7  C4   C3   aromatic  1.387  0.020  1.387
 1T7  C24  C25  aromatic  1.398  0.020  1.398
 1T7  C24  C23  aromatic  1.388  0.020  1.388
 1T7  C6   C1   aromatic  1.402  0.020  1.402
 1T7  C3   C2   aromatic  1.387  0.020  1.387
 1T7  C25  C26  aromatic  1.399  0.020  1.399
 1T7  C1   C2   aromatic  1.393  0.020  1.393
 1T7  C1   C23  single    1.481  0.020  1.481
 1T7  C23  C22  aromatic  1.392  0.020  1.392
 1T7  C26  C21  aromatic  1.387  0.020  1.387
 1T7  C22  C21  aromatic  1.390  0.020  1.390
 1T7  C21  C10  single    1.509  0.020  1.509
 1T7  N9   C10  single    1.445  0.020  1.445
 1T7  N9   C8   single    1.370  0.020  1.370
 1T7  C10  C11  single    1.526  0.020  1.526
 1T7  C15  C8   aromatic  1.402  0.020  1.402
 1T7  C15  C14  aromatic  1.380  0.020  1.380
 1T7  C8   C7   aromatic  1.407  0.020  1.407
 1T7  C11  C12  single    1.531  0.020  1.531
 1T7  C14  C13  aromatic  1.396  0.020  1.396
 1T7  C7   C12  single    1.516  0.020  1.516
 1T7  C7   C16  aromatic  1.384  0.020  1.384
 1T7  C12  C20  single    1.510  0.020  1.510
 1T7  C13  C16  aromatic  1.393  0.020  1.393
 1T7  C13  C17  single    1.483  0.020  1.483
 1T7  C20  C27  aromatic  1.390  0.020  1.390
 1T7  C20  C31  aromatic  1.395  0.020  1.395
 1T7  C27  C28  aromatic  1.391  0.020  1.391
 1T7  N18  C17  single    1.369  0.020  1.369
 1T7  C31  C30  aromatic  1.386  0.020  1.386
 1T7  C17  N19  double    1.280  0.020  1.280
 1T7  C28  C29  aromatic  1.387  0.020  1.387
 1T7  C30  C29  aromatic  1.391  0.020  1.391
 1T7  C2   H36  single    0.930  0.020  1.080
 1T7  C3   H37  single    0.930  0.020  1.080
 1T7  C4   H38  single    0.930  0.020  1.080
 1T7  C5   H39  single    0.930  0.020  1.080
 1T7  N9   H40  single    0.890  0.020  1.040
 1T7  C10  H41  single    0.970  0.020  1.090
 1T7  C11  H42  single    0.970  0.020  1.090
 1T7  C11  H43  single    0.970  0.020  1.090
 1T7  C12  H44  single    0.970  0.020  1.090
 1T7  C14  H45  single    0.930  0.020  1.080
 1T7  C15  H46  single    0.930  0.020  1.080
 1T7  C16  H47  single    0.930  0.020  1.080
 1T7  N18  H48  single    0.890  0.020  1.040
 1T7  N19  H50  single    0.890  0.020  1.040
 1T7  C22  H51  single    0.930  0.020  1.080
 1T7  C24  H52  single    0.930  0.020  1.080
 1T7  C26  H53  single    0.930  0.020  1.080
 1T7  C27  H54  single    0.930  0.020  1.080
 1T7  C28  H55  single    0.930  0.020  1.080
 1T7  C29  H56  single    0.930  0.020  1.080
 1T7  C30  H57  single    0.930  0.020  1.080
 1T7  C31  H58  single    0.930  0.020  1.080
 1T7  N32  H60  single    0.890  0.020  1.040
 1T7  N32  H59  single    0.890  0.020  1.040
 1T7  O34  H61  single    0.850  0.020  0.980
 1T7  N18  H49  single    0.890  0.020  1.040

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
 1T7  C23  C1   C6   123.02  3.000
 1T7  C23  C1   C2   118.49  3.000
 1T7  C6   C1   C2   118.42  3.000
 1T7  H36  C2   C3   119.59  3.000
 1T7  H36  C2   C1   119.10  3.000
 1T7  C3   C2   C1   121.30  3.000
 1T7  H37  C3   C4   120.31  3.000
 1T7  H37  C3   C2   119.71  3.000
 1T7  C4   C3   C2   119.97  3.000
 1T7  H38  C4   C5   119.92  3.000
 1T7  H38  C4   C3   120.51  3.000
 1T7  C5   C4   C3   119.57  3.000
 1T7  H39  C5   C6   120.15  3.000
 1T7  H39  C5   C4   119.17  3.000
 1T7  C6   C5   C4   120.66  3.000
 1T7  C33  C6   C5   118.84  3.000
 1T7  C5   C6   C1   120.07  3.000
 1T7  C33  C6   C1   120.88  3.000
 1T7  C16  C7   C12  121.17  3.000
 1T7  C16  C7   C8   118.87  3.000
 1T7  C12  C7   C8   119.93  3.000
 1T7  C15  C8   N9   119.70  3.000
 1T7  C15  C8   C7   118.79  3.000
 1T7  N9   C8   C7   121.49  3.000
 1T7  H40  N9   C10  115.52  3.000
 1T7  H40  N9   C8   115.59  3.000
 1T7  C10  N9   C8   121.07  3.000
 1T7  H41  C10  C21  107.93  3.000
 1T7  H41  C10  C11  108.02  3.000
 1T7  C21  C10  C11  110.68  3.000
 1T7  H41  C10  N9   110.92  3.000
 1T7  C11  C10  N9   108.42  3.000
 1T7  C21  C10  N9   110.83  3.000
 1T7  H43  C11  H42  107.37  3.000
 1T7  H43  C11  C12  109.56  3.000
 1T7  H42  C11  C12  110.30  3.000
 1T7  H43  C11  C10  109.45  3.000
 1T7  H42  C11  C10  108.92  3.000
 1T7  C12  C11  C10  111.17  3.000
 1T7  H44  C12  C20  107.43  3.000
 1T7  H44  C12  C11  107.12  3.000
 1T7  C20  C12  C11  110.53  3.000
 1T7  H44  C12  C7   107.85  3.000
 1T7  C20  C12  C7   112.96  3.000
 1T7  C11  C12  C7   110.69  3.000
 1T7  C17  C13  C16  119.63  3.000
 1T7  C17  C13  C14  122.66  3.000
 1T7  C16  C13  C14  117.70  3.000
 1T7  H45  C14  C15  118.15  3.000
 1T7  H45  C14  C13  121.03  3.000
 1T7  C15  C14  C13  120.81  3.000
 1T7  H46  C15  C14  119.70  3.000
 1T7  H46  C15  C8   119.23  3.000
 1T7  C14  C15  C8   121.07  3.000
 1T7  H47  C16  C13  118.29  3.000
 1T7  H47  C16  C7   118.96  3.000
 1T7  C13  C16  C7   122.75  3.000
 1T7  N19  C17  N18  125.21  3.000
 1T7  N19  C17  C13  119.19  3.000
 1T7  N18  C17  C13  115.55  3.000
 1T7  H49  N18  H48  113.09  3.000
 1T7  H49  N18  C17  116.74  3.000
 1T7  H48  N18  C17  118.15  3.000
 1T7  H50  N19  C17  110.96  3.000
 1T7  C31  C20  C27  118.55  3.000
 1T7  C31  C20  C12  120.78  3.000
 1T7  C27  C20  C12  120.66  3.000
 1T7  C26  C21  C22  119.95  3.000
 1T7  C22  C21  C10  119.30  3.000
 1T7  C26  C21  C10  120.71  3.000
 1T7  H51  C22  C23  120.09  3.000
 1T7  H51  C22  C21  119.95  3.000
 1T7  C23  C22  C21  119.95  3.000
 1T7  C24  C23  C22  119.98  3.000
 1T7  C22  C23  C1   119.98  3.000
 1T7  C24  C23  C1   120.00  3.000
 1T7  H52  C24  C25  119.33  3.000
 1T7  H52  C24  C23  119.97  3.000
 1T7  C25  C24  C23  120.70  3.000
 1T7  N32  C25  C26  120.58  3.000
 1T7  C26  C25  C24  118.65  3.000
 1T7  N32  C25  C24  120.71  3.000
 1T7  H53  C26  C25  119.39  3.000
 1T7  H53  C26  C21  119.84  3.000
 1T7  C25  C26  C21  120.77  3.000
 1T7  H54  C27  C28  119.59  3.000
 1T7  H54  C27  C20  119.50  3.000
 1T7  C28  C27  C20  120.91  3.000
 1T7  H55  C28  C29  120.21  3.000
 1T7  H55  C28  C27  119.74  3.000
 1T7  C29  C28  C27  120.05  3.000
 1T7  H56  C29  C30  120.21  3.000
 1T7  H56  C29  C28  120.29  3.000
 1T7  C30  C29  C28  119.51  3.000
 1T7  H57  C30  C31  119.74  3.000
 1T7  H57  C30  C29  120.03  3.000
 1T7  C31  C30  C29  120.23  3.000
 1T7  H58  C31  C30  119.35  3.000
 1T7  H58  C31  C20  119.89  3.000
 1T7  C30  C31  C20  120.75  3.000
 1T7  H59  N32  H60  111.73  3.000
 1T7  H59  N32  C25  115.65  3.000
 1T7  H60  N32  C25  115.77  3.000
 1T7  O35  C33  O34  123.47  3.000
 1T7  O34  C33  C6   112.26  3.000
 1T7  O35  C33  C6   124.24  3.000
 1T7  H61  O34  C33  109.90  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
 1T7  CONST_01  C4   C5   C6   C1     0.00   0.0  0
 1T7  CONST_02  C4   C3   C2   C1     0.00   0.0  0
 1T7  CONST_03  C25  C24  C23  C1   180.00   0.0  0
 1T7  CONST_04  C21  C22  C23  C1   180.00   0.0  0
 1T7  CONST_05  C5   C4   C3   C2     0.00   0.0  0
 1T7  CONST_06  C5   C6   C1   C2     0.00   0.0  0
 1T7  CONST_09  C6   C5   C4   C3     0.00   0.0  0
 1T7  CONST_10  C6   C1   C2   C3     0.00   0.0  0
 1T7  CONST_11  C23  C1   C2   C3   180.00   0.0  0
 1T7  CONST_12  C23  C1   C6   C5   180.00   0.0  0
 1T7  CONST_15  C14  C15  C8   C7     0.00   0.0  0
 1T7  CONST_16  C14  C13  C16  C7     0.00   0.0  0
 1T7  CONST_17  C13  C14  C15  C8     0.00   0.0  0
 1T7  CONST_18  C13  C16  C7   C8     0.00   0.0  0
 1T7  CONST_19  C16  C7   C8   C15    0.00   0.0  0
 1T7  CONST_20  C16  C13  C14  C15    0.00   0.0  0
 1T7  CONST_21  C29  C28  C27  C20    0.00   0.0  0
 1T7  CONST_22  C29  C30  C31  C20    0.00   0.0  0
 1T7  CONST_23  C24  C25  C26  C21    0.00   0.0  0
 1T7  CONST_24  C24  C23  C22  C21    0.00   0.0  0
 1T7  CONST_25  C25  C24  C23  C22    0.00   0.0  0
 1T7  CONST_26  C25  C26  C21  C22    0.00   0.0  0
 1T7  CONST_27  C26  C25  C24  C23    0.00   0.0  0
 1T7  CONST_28  C26  C21  C22  C23    0.00   0.0  0
 1T7  CONST_29  C30  C31  C20  C27    0.00   0.0  0
 1T7  CONST_30  C30  C29  C28  C27    0.00   0.0  0
 1T7  CONST_31  C31  C20  C27  C28    0.00   0.0  0
 1T7  CONST_32  C31  C30  C29  C28    0.00   0.0  0
 1T7  CONST_33  C25  C26  C21  C10  180.00   0.0  0
 1T7  CONST_34  C23  C22  C21  C10  180.00   0.0  0
 1T7  CONST_35  C28  C27  C20  C12  180.00   0.0  0
 1T7  CONST_36  C30  C31  C20  C12  180.00   0.0  0
 1T7  CONST_37  C33  C6   C1   C2   180.00   0.0  0
 1T7  CONST_38  C33  C6   C5   C4   180.00   0.0  0
 1T7  CONST_39  C17  C13  C16  C7   180.00   0.0  0
 1T7  CONST_40  C17  C13  C14  C15  180.00   0.0  0
 1T7  CONST_41  N32  C25  C26  C21  180.00   0.0  0
 1T7  CONST_42  N32  C25  C24  C23  180.00   0.0  0
 1T7  CONST_43  C33  C6   C1   C23    0.00   0.0  0
 1T7  CONST_44  H39  C5   C6   C1   180.00   0.0  0
 1T7  CONST_45  H37  C3   C2   C1   180.00   0.0  0
 1T7  CONST_46  H52  C24  C23  C1     0.00   0.0  0
 1T7  CONST_47  H51  C22  C23  C1     0.00   0.0  0
 1T7  CONST_48  H38  C4   C3   C2   180.00   0.0  0
 1T7  CONST_49  H36  C2   C3   C4   180.00   0.0  0
 1T7  CONST_50  H46  C15  C8   C7   180.00   0.0  0
 1T7  CONST_51  H45  C14  C15  C8   180.00   0.0  0
 1T7  CONST_52  H47  C16  C7   C8   180.00   0.0  0
 1T7  CONST_53  H53  C26  C21  C10    0.00   0.0  0
 1T7  CONST_54  H54  C27  C20  C12    0.00   0.0  0
 1T7  CONST_55  H58  C31  C20  C12    0.00   0.0  0
 1T7  CONST_56  H55  C28  C27  C20  180.00   0.0  0
 1T7  CONST_57  H57  C30  C31  C20  180.00   0.0  0
 1T7  CONST_58  H56  C29  C28  C27  180.00   0.0  0
 1T7  CONST_61  H61  O34  C33  C6   180.00   0.0  0
 1T7  CONST_63  H49  N18  C17  C13  180.00   0.0  0
 1T7  CONST_64  H50  N19  C17  C13  180.00   0.0  0
 1T7  Var_01    C10  N9   C8   C7   -14.66  30.0  1
 1T7  Var_02    O35  C33  C6   C1    35.44  30.0  2
 1T7  Var_03    N18  C17  C13  C14  -17.82  30.0  2

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
 1T7  chir_01  C10  C21  N9  C11  negativ
 1T7  chir_02  C12  C20  C7  C11  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
 1T7  plan-1  C1   0.020
 1T7  plan-1  C2   0.020
 1T7  plan-1  C3   0.020
 1T7  plan-1  C4   0.020
 1T7  plan-1  C5   0.020
 1T7  plan-1  C6   0.020
 1T7  plan-1  C23  0.020
 1T7  plan-1  C33  0.020
 1T7  plan-1  H36  0.020
 1T7  plan-1  H37  0.020
 1T7  plan-1  H38  0.020
 1T7  plan-1  H39  0.020
 1T7  plan-2  C12  0.020
 1T7  plan-2  C20  0.020
 1T7  plan-2  C27  0.020
 1T7  plan-2  C28  0.020
 1T7  plan-2  C29  0.020
 1T7  plan-2  C30  0.020
 1T7  plan-2  C31  0.020
 1T7  plan-2  H54  0.020
 1T7  plan-2  H55  0.020
 1T7  plan-2  H56  0.020
 1T7  plan-2  H57  0.020
 1T7  plan-2  H58  0.020
 1T7  plan-3  C7   0.020
 1T7  plan-3  C8   0.020
 1T7  plan-3  N9   0.020
 1T7  plan-3  C12  0.020
 1T7  plan-3  C13  0.020
 1T7  plan-3  C14  0.020
 1T7  plan-3  C15  0.020
 1T7  plan-3  C16  0.020
 1T7  plan-3  C17  0.020
 1T7  plan-3  H45  0.020
 1T7  plan-3  H46  0.020
 1T7  plan-3  H47  0.020
 1T7  plan-4  C1   0.020
 1T7  plan-4  C10  0.020
 1T7  plan-4  C21  0.020
 1T7  plan-4  C22  0.020
 1T7  plan-4  C23  0.020
 1T7  plan-4  C24  0.020
 1T7  plan-4  C25  0.020
 1T7  plan-4  C26  0.020
 1T7  plan-4  N32  0.020
 1T7  plan-4  H51  0.020
 1T7  plan-4  H52  0.020
 1T7  plan-4  H53  0.020
 1T7  plan-5  C25  0.020
 1T7  plan-5  N32  0.020
 1T7  plan-5  H60  0.020
 1T7  plan-5  H59  0.020
 1T7  plan-6  C13  0.020
 1T7  plan-6  C17  0.020
 1T7  plan-6  N18  0.020
 1T7  plan-6  N19  0.020
 1T7  plan-6  H48  0.020
 1T7  plan-6  H50  0.020
 1T7  plan-6  H49  0.020
 1T7  plan-7  C6   0.020
 1T7  plan-7  C33  0.020
 1T7  plan-7  O34  0.020
 1T7  plan-7  O35  0.020
 1T7  plan-7  H61  0.020

