# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Fri May  1 17:21:16 2020
#   Inital geometry file: a 158 line input string
#   Ligand name: 2,7,7-trimethyl-9-[8-(2-methylpropyl)-1-oxo-1,2,3,4-tetrahydroisoquinolin-6-yl]-1,2,3,4,6,7,8,9-octahydro-5H-beta-carbolin-5-one
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: CC(C)Cc1cc(cc2CCNC(=O)c12)n3c4CN(C)CCc4c5C(=O)CC(C)(C)Cc35
#
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
 FGH  FGH  2,7,7-trimethyl-9-[8-(2-methylpropyl)-1-oxo-1,2,3,4-tetrahydroisoquinolin-6-yl]-1,2,3,4,6,7,8,9-octahydro-5H-beta-carbolin-5-one  ligand  67  32  .  2022-07-25  2022-07-26
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as OK (reasonable std)
;

data_comp_FGH
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
 FGH  O1   O  O     0  -0.424  -5.4901  -0.7108   0.0446
 FGH  C21  C  C     0   0.311  -4.3562  -1.1282  -0.1215
 FGH  C22  C  CH2   0  -0.530  -4.0734  -2.6034  -0.3397
 FGH  C23  C  CT    0  -0.145  -2.7037  -3.0902   0.1601
 FGH  C26  C  CH3   0  -0.620  -2.5008  -4.5422  -0.2647
 FGH  C25  C  CH3   0  -0.614  -2.6451  -3.0060   1.6873
 FGH  C24  C  CH2   0  -0.464  -1.5908  -2.2279  -0.4619
 FGH  C13  C  CR5   0   0.377  -1.9264  -0.7887  -0.3274
 FGH  C14  C  CR5   0  -0.171  -3.1952  -0.2695  -0.1710
 FGH  C15  C  CR5   0   0.037  -3.0695   1.1489  -0.0483
 FGH  C19  C  CH2   0  -0.499  -4.0785   2.2330   0.1109
 FGH  C18  C  CH2   0  -0.287  -3.3627   3.5322   0.4680
 FGH  N2   N  NT    0  -0.414  -2.2084   3.7591  -0.3885
 FGH  C20  C  CH3   0  -0.498  -1.7022   5.1065  -0.2669
 FGH  C17  C  CH2   0  -0.298  -1.1516   2.7960  -0.1363
 FGH  C16  C  CR5   0   0.263  -1.7440   1.4307  -0.1390
 FGH  N1   N  NR5   0  -0.667  -1.0474   0.2453  -0.3068
 FGH  C6   C  CR6   0   0.331   0.3549   0.1325  -0.4326
 FGH  C5   C  CR16  0  -0.350   1.1756   0.5370   0.6056
 FGH  C7   C  CR16  0  -0.352   0.9074  -0.3702  -1.5974
 FGH  C8   C  CR6   0   0.151   2.2829  -0.4616  -1.7212
 FGH  C12  C  CH2   0  -0.504   2.8870  -0.9714  -2.9958
 FGH  C11  C  CH2   0  -0.248   4.1481  -0.1960  -3.2979
 FGH  N    N  NH1   0  -0.625   5.0131  -0.2525  -2.1399
 FGH  C10  C  C     0   0.490   4.6008  -0.1789  -0.8635
 FGH  O    O  O     0  -0.485   5.4028  -0.2095   0.0650
 FGH  C9   C  CR6   0  -0.140   3.1204  -0.0622  -0.6674
 FGH  C4   C  CR6   0   0.169   2.5622   0.4402   0.5221
 FGH  C3   C  CH2   0  -0.483   3.3459   0.8710   1.7338
 FGH  C1   C  CH1   0  -0.228   3.6802  -0.2746   2.7048
 FGH  C2   C  CH3   0  -0.648   4.5746   0.2521   3.8220
 FGH  C    C  CH3   0  -0.644   2.4294  -0.9273   3.2820
 FGH  H1   H  HCH2  0   0.255  -4.8737  -3.1857   0.1231
 FGH  H2   H  HCH2  0   0.257  -4.1498  -2.7774  -1.4211
 FGH  H3   H  HCH3  0   0.225  -1.5293  -4.9170   0.0644
 FGH  H4   H  HCH3  0   0.228  -3.2666  -5.1888   0.1670
 FGH  H5   H  HCH3  0   0.220  -2.5474  -4.6531  -1.3496
 FGH  H6   H  HCH3  0   0.234  -2.7728  -1.9881   2.0576
 FGH  H7   H  HCH3  0   0.223  -3.4294  -3.6189   2.1347
 FGH  H8   H  HCH3  0   0.219  -1.6874  -3.3733   2.0613
 FGH  H9   H  HCH2  0   0.250  -0.6289  -2.4621   0.0041
 FGH  H10  H  HCH2  0   0.247  -1.4794  -2.4860  -1.5221
 FGH  H11  H  HCH2  0   0.229  -4.6512   2.3591  -0.8123
 FGH  H12  H  HCH2  0   0.236  -4.8044   1.9924   0.8892
 FGH  H13  H  HCH2  0   0.229  -4.0506   4.3704   0.3467
 FGH  H14  H  HCH2  0   0.194  -3.0738   3.5131   1.5329
 FGH  H16  H  HCH3  0   0.190  -1.3453   5.3496   0.7459
 FGH  H17  H  HCH3  0   0.224  -0.8704   5.2592  -0.9562
 FGH  H18  H  HCH3  0   0.228  -2.4805   5.8243  -0.5273
 FGH  H19  H  HCH2  0   0.243  -0.3879   2.8927  -0.9150
 FGH  H20  H  HCH2  0   0.200  -0.6418   3.0011   0.8231
 FGH  H21  H  HCR6  0   0.246   0.7259   0.9204   1.5132
 FGH  H22  H  HCR6  0   0.241   0.2702  -0.6599  -2.4230
 FGH  H23  H  HCH2  0   0.257   3.1239  -2.0352  -2.8998
 FGH  H24  H  HCH2  0   0.257   2.1829  -0.8735  -3.8209
 FGH  H25  H  HCH2  0   0.258   4.6775  -0.6325  -4.1412
 FGH  H26  H  HCH2  0   0.237   3.9063   0.8381  -3.5591
 FGH  H27  H  HNH1  0   0.376   6.0079  -0.2918  -2.2908
 FGH  H28  H  HCH2  0   0.245   4.2692   1.3673   1.4414
 FGH  H29  H  HCH2  0   0.221   2.7521   1.6141   2.2765
 FGH  H30  H  HCH1  0   0.235   4.2390  -1.0291   2.1466
 FGH  H31  H  HCH3  0   0.208   4.0681   1.0284   4.4015
 FGH  H32  H  HCH3  0   0.220   4.8483  -0.5440   4.5169
 FGH  H33  H  HCH3  0   0.221   5.4970   0.6816   3.4268
 FGH  H34  H  HCH3  0   0.223   2.6947  -1.7101   3.9943
 FGH  H35  H  HCH3  0   0.204   1.8071  -0.2012   3.8117
 FGH  H36  H  HCH3  0   0.229   1.8119  -1.3886   2.5108

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
 FGH  C2   C1   single    1.525  0.020  1.525
 FGH  C25  C23  single    1.531  0.020  1.531
 FGH  O    C10  double    1.227  0.020  1.227
 FGH  C3   C1   single    1.538  0.020  1.538
 FGH  C3   C4   single    1.506  0.020  1.506
 FGH  C1   C    single    1.524  0.020  1.524
 FGH  C4   C5   aromatic  1.393  0.020  1.393
 FGH  C4   C9   aromatic  1.407  0.020  1.407
 FGH  C10  C9   single    1.498  0.020  1.498
 FGH  C10  N    single    1.343  0.020  1.343
 FGH  C26  C23  single    1.526  0.020  1.526
 FGH  C23  C24  single    1.539  0.020  1.539
 FGH  C23  C22  single    1.537  0.020  1.537
 FGH  C5   C6   aromatic  1.384  0.020  1.384
 FGH  C9   C8   aromatic  1.404  0.020  1.404
 FGH  C24  C13  single    1.484  0.020  1.484
 FGH  N    C11  single    1.447  0.020  1.447
 FGH  C22  C21  single    1.518  0.020  1.518
 FGH  C6   N1   single    1.412  0.020  1.412
 FGH  C6   C7   aromatic  1.384  0.020  1.384
 FGH  C13  N1   aromatic  1.357  0.020  1.357
 FGH  C13  C14  aromatic  1.380  0.020  1.380
 FGH  C8   C7   aromatic  1.384  0.020  1.384
 FGH  C8   C12  single    1.500  0.020  1.500
 FGH  C21  O1   double    1.220  0.020  1.220
 FGH  C21  C14  single    1.445  0.020  1.445
 FGH  N1   C16  aromatic  1.385  0.020  1.385
 FGH  C14  C15  aromatic  1.429  0.020  1.429
 FGH  C16  C15  aromatic  1.358  0.020  1.358
 FGH  C16  C17  single    1.488  0.020  1.488
 FGH  C12  C11  single    1.511  0.020  1.511
 FGH  C15  C19  single    1.490  0.020  1.490
 FGH  C17  N2   single    1.452  0.020  1.452
 FGH  C19  C18  single    1.526  0.020  1.526
 FGH  C18  N2   single    1.455  0.020  1.455
 FGH  N2   C20  single    1.444  0.020  1.444
 FGH  C22  H1   single    0.970  0.020  1.090
 FGH  C22  H2   single    0.970  0.020  1.090
 FGH  C26  H3   single    0.970  0.020  1.090
 FGH  C26  H4   single    0.970  0.020  1.090
 FGH  C26  H5   single    0.970  0.020  1.090
 FGH  C25  H6   single    0.970  0.020  1.090
 FGH  C25  H7   single    0.970  0.020  1.090
 FGH  C25  H8   single    0.970  0.020  1.090
 FGH  C24  H9   single    0.970  0.020  1.090
 FGH  C24  H10  single    0.970  0.020  1.090
 FGH  C19  H11  single    0.970  0.020  1.090
 FGH  C19  H12  single    0.970  0.020  1.090
 FGH  C18  H13  single    0.970  0.020  1.090
 FGH  C18  H14  single    0.970  0.020  1.090
 FGH  C20  H16  single    0.970  0.020  1.090
 FGH  C20  H17  single    0.970  0.020  1.090
 FGH  C20  H18  single    0.970  0.020  1.090
 FGH  C17  H19  single    0.970  0.020  1.090
 FGH  C17  H20  single    0.970  0.020  1.090
 FGH  C5   H21  single    0.930  0.020  1.080
 FGH  C7   H22  single    0.930  0.020  1.080
 FGH  C12  H23  single    0.970  0.020  1.090
 FGH  C12  H24  single    0.970  0.020  1.090
 FGH  C11  H25  single    0.970  0.020  1.090
 FGH  C11  H26  single    0.970  0.020  1.090
 FGH  N    H27  single    0.860  0.020  1.020
 FGH  C3   H28  single    0.970  0.020  1.090
 FGH  C3   H29  single    0.970  0.020  1.090
 FGH  C1   H30  single    0.970  0.020  1.090
 FGH  C2   H31  single    0.970  0.020  1.090
 FGH  C2   H32  single    0.970  0.020  1.090
 FGH  C2   H33  single    0.970  0.020  1.090
 FGH  C    H34  single    0.970  0.020  1.090
 FGH  C    H35  single    0.970  0.020  1.090
 FGH  C    H36  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
 FGH  C14  C21  C22  115.02  3.000
 FGH  C14  C21  O1   123.25  3.000
 FGH  C22  C21  O1   121.70  3.000
 FGH  H2   C22  H1   106.36  3.000
 FGH  H2   C22  C23  109.39  3.000
 FGH  H1   C22  C23  110.25  3.000
 FGH  H2   C22  C21  106.42  3.000
 FGH  H1   C22  C21  108.70  3.000
 FGH  C23  C22  C21  115.28  3.000
 FGH  C24  C23  C25  110.16  3.000
 FGH  C24  C23  C26  108.92  3.000
 FGH  C25  C23  C26  108.96  3.000
 FGH  C24  C23  C22  109.60  3.000
 FGH  C26  C23  C22  109.22  3.000
 FGH  C25  C23  C22  109.95  3.000
 FGH  H5   C26  H4   107.64  3.000
 FGH  H5   C26  H3   107.61  3.000
 FGH  H4   C26  H3   107.56  3.000
 FGH  H5   C26  C23  111.57  3.000
 FGH  H4   C26  C23  111.12  3.000
 FGH  H3   C26  C23  111.16  3.000
 FGH  H8   C25  H7   107.52  3.000
 FGH  H8   C25  H6   107.48  3.000
 FGH  H7   C25  H6   107.50  3.000
 FGH  H8   C25  C23  110.91  3.000
 FGH  H7   C25  C23  110.53  3.000
 FGH  H6   C25  C23  112.68  3.000
 FGH  H10  C24  H9   105.78  3.000
 FGH  H10  C24  C13  109.80  3.000
 FGH  H9   C24  C13  111.58  3.000
 FGH  H10  C24  C23  109.40  3.000
 FGH  H9   C24  C23  110.10  3.000
 FGH  C13  C24  C23  110.07  3.000
 FGH  N1   C13  C14  107.88  3.000
 FGH  C14  C13  C24  125.68  3.000
 FGH  N1   C13  C24  126.42  3.000
 FGH  C15  C14  C13  107.60  3.000
 FGH  C15  C14  C21  131.11  3.000
 FGH  C13  C14  C21  121.28  3.000
 FGH  C16  C15  C19  121.15  3.000
 FGH  C19  C15  C14  132.21  3.000
 FGH  C16  C15  C14  106.62  3.000
 FGH  H12  C19  H11  106.21  3.000
 FGH  H12  C19  C18  109.45  3.000
 FGH  H11  C19  C18  110.18  3.000
 FGH  H12  C19  C15  111.50  3.000
 FGH  H11  C19  C15  110.39  3.000
 FGH  C18  C19  C15  109.08  3.000
 FGH  H14  C18  H13  106.59  3.000
 FGH  H14  C18  N2   111.28  3.000
 FGH  H13  C18  N2   108.36  3.000
 FGH  H14  C18  C19  109.51  3.000
 FGH  H13  C18  C19  109.42  3.000
 FGH  N2   C18  C19  111.54  3.000
 FGH  C17  N2   C20  110.43  3.000
 FGH  C20  N2   C18  111.95  3.000
 FGH  C17  N2   C18  111.82  3.000
 FGH  H18  C20  H17  107.53  3.000
 FGH  H18  C20  H16  107.80  3.000
 FGH  H17  C20  H16  107.64  3.000
 FGH  H18  C20  N2   110.12  3.000
 FGH  H17  C20  N2   110.16  3.000
 FGH  H16  C20  N2   113.39  3.000
 FGH  H20  C17  H19  106.21  3.000
 FGH  H20  C17  C16  110.81  3.000
 FGH  H19  C17  C16  110.94  3.000
 FGH  H20  C17  N2   111.30  3.000
 FGH  H19  C17  N2   109.00  3.000
 FGH  C16  C17  N2   108.57  3.000
 FGH  N1   C16  C17  125.81  3.000
 FGH  C17  C16  C15  125.36  3.000
 FGH  N1   C16  C15  108.75  3.000
 FGH  C6   N1   C16  125.34  3.000
 FGH  C16  N1   C13  109.16  3.000
 FGH  C6   N1   C13  125.50  3.000
 FGH  C7   C6   C5   120.06  3.000
 FGH  C7   C6   N1   120.03  3.000
 FGH  C5   C6   N1   119.91  3.000
 FGH  H21  C5   C4   119.23  3.000
 FGH  H21  C5   C6   119.07  3.000
 FGH  C4   C5   C6   121.69  3.000
 FGH  H22  C7   C8   119.94  3.000
 FGH  H22  C7   C6   120.28  3.000
 FGH  C8   C7   C6   119.74  3.000
 FGH  C9   C8   C12  119.62  3.000
 FGH  C12  C8   C7   119.92  3.000
 FGH  C9   C8   C7   120.46  3.000
 FGH  H24  C12  H23  107.09  3.000
 FGH  H24  C12  C11  110.00  3.000
 FGH  H23  C12  C11  109.63  3.000
 FGH  H24  C12  C8   110.66  3.000
 FGH  H23  C12  C8   110.07  3.000
 FGH  C11  C12  C8   109.37  3.000
 FGH  H26  C11  H25  107.58  3.000
 FGH  H26  C11  N    111.12  3.000
 FGH  H25  C11  N    108.31  3.000
 FGH  H26  C11  C12  110.40  3.000
 FGH  H25  C11  C12  110.82  3.000
 FGH  N    C11  C12  108.61  3.000
 FGH  H27  N    C10  116.60  3.000
 FGH  H27  N    C11  118.19  3.000
 FGH  C10  N    C11  125.10  3.000
 FGH  C9   C10  O    123.29  3.000
 FGH  C9   C10  N    115.59  3.000
 FGH  O    C10  N    121.12  3.000
 FGH  C4   C9   C10  122.05  3.000
 FGH  C10  C9   C8   117.98  3.000
 FGH  C4   C9   C8   119.97  3.000
 FGH  C3   C4   C9   125.17  3.000
 FGH  C9   C4   C5   118.08  3.000
 FGH  C3   C4   C5   116.74  3.000
 FGH  H29  C3   H28  106.49  3.000
 FGH  H29  C3   C1   108.08  3.000
 FGH  H28  C3   C1   108.95  3.000
 FGH  H29  C3   C4   108.10  3.000
 FGH  H28  C3   C4   110.84  3.000
 FGH  C1   C3   C4   114.07  3.000
 FGH  H30  C1   C    108.51  3.000
 FGH  H30  C1   C2   108.24  3.000
 FGH  C    C1   C2   110.59  3.000
 FGH  H30  C1   C3   107.64  3.000
 FGH  C    C1   C3   112.30  3.000
 FGH  C2   C1   C3   109.43  3.000
 FGH  H33  C2   H32  107.79  3.000
 FGH  H33  C2   H31  107.70  3.000
 FGH  H32  C2   H31  107.25  3.000
 FGH  H33  C2   C1   111.48  3.000
 FGH  H32  C2   C1   111.19  3.000
 FGH  H31  C2   C1   111.22  3.000
 FGH  H36  C    H35  107.54  3.000
 FGH  H36  C    H34  107.20  3.000
 FGH  H35  C    H34  107.38  3.000
 FGH  H36  C    C1   112.21  3.000
 FGH  H35  C    C1   111.48  3.000
 FGH  H34  C    C1   110.78  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
 FGH  CONST_03  C15  C16  N1   C13     0.00   0.0  0
 FGH  CONST_04  C16  C15  C14  C13     0.00   0.0  0
 FGH  CONST_05  C6   N1   C13  C14   180.00   0.0  0
 FGH  CONST_06  C16  N1   C13  C14     0.00   0.0  0
 FGH  CONST_07  N1   C16  C15  C14     0.00   0.0  0
 FGH  CONST_08  N1   C13  C14  C15     0.00   0.0  0
 FGH  CONST_09  C6   N1   C16  C15   180.00   0.0  0
 FGH  CONST_12  C4   C5   C6   N1    180.00   0.0  0
 FGH  CONST_13  C8   C7   C6   N1    180.00   0.0  0
 FGH  CONST_14  C9   C4   C5   C6      0.00   0.0  0
 FGH  CONST_15  C9   C8   C7   C6      0.00   0.0  0
 FGH  CONST_16  C8   C9   C4   C5      0.00   0.0  0
 FGH  CONST_17  C8   C7   C6   C5      0.00   0.0  0
 FGH  CONST_18  C4   C5   C6   C7      0.00   0.0  0
 FGH  CONST_19  C4   C9   C8   C7      0.00   0.0  0
 FGH  CONST_20  C6   N1   C13  C24     0.00   0.0  0
 FGH  CONST_21  C6   N1   C16  C17     0.00   0.0  0
 FGH  CONST_22  C9   C10  N    C11     0.00   0.0  0
 FGH  CONST_23  C3   C4   C5   C6    180.00   0.0  0
 FGH  CONST_24  C3   C4   C9   C8    180.00   0.0  0
 FGH  CONST_25  C3   C4   C9   C10     0.00   0.0  0
 FGH  CONST_26  O    C10  N    C11   180.00   0.0  0
 FGH  CONST_27  H21  C5   C6   N1      0.00   0.0  0
 FGH  CONST_28  H22  C7   C6   N1      0.00   0.0  0
 FGH  CONST_29  H27  N    C10  C9    180.00   0.0  0
 FGH  Var_01    C24  C23  C22  C21   -54.48  30.0  1
 FGH  Var_02    C13  C24  C23  C22    47.80  30.0  1
 FGH  Var_03    C13  C14  C21  C22    -3.65  30.0  1
 FGH  Var_04    N1   C13  C24  C23   155.04  30.0  1
 FGH  Var_05    C14  C21  C22  C23    31.69  30.0  1
 FGH  Var_06    C18  C19  C15  C14   168.86  30.0  1
 FGH  Var_07    N2   C17  C16  C15   -15.36  30.0  1
 FGH  Var_08    N2   C18  C19  C15    46.34  30.0  1
 FGH  Var_09    C17  N2   C18  C19   -68.30  30.0  1
 FGH  Var_10    C16  C17  N2   C18    49.10  30.0  1
 FGH  Var_11    C11  C12  C8   C7    142.42  30.0  1
 FGH  Var_12    N    C10  C9   C8     20.04  30.0  1
 FGH  Var_13    N    C11  C12  C8     53.48  30.0  1
 FGH  Var_14    C10  N    C11  C12   -39.14  30.0  1
 FGH  Var_15    C1   C3   C4   C5     93.29  30.0  2
 FGH  Var_16    H6   C25  C23  C22   -60.95  30.0  3
 FGH  Var_17    H3   C26  C23  C22   179.29  30.0  3
 FGH  Var_18    H16  C20  N2   C18    62.11  30.0  3
 FGH  Var_19    C2   C1   C3   C4    175.01  30.0  3
 FGH  Var_20    H31  C2   C1   C3     61.81  30.0  3
 FGH  Var_21    H34  C    C1   C3   -177.89  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
 FGH  plan-1  N1   0.020
 FGH  plan-1  C6   0.020
 FGH  plan-1  C5   0.020
 FGH  plan-1  C7   0.020
 FGH  plan-1  C8   0.020
 FGH  plan-1  C12  0.020
 FGH  plan-1  C10  0.020
 FGH  plan-1  C9   0.020
 FGH  plan-1  C4   0.020
 FGH  plan-1  C3   0.020
 FGH  plan-1  H21  0.020
 FGH  plan-1  H22  0.020
 FGH  plan-2  C21  0.020
 FGH  plan-2  C24  0.020
 FGH  plan-2  C13  0.020
 FGH  plan-2  C14  0.020
 FGH  plan-2  C15  0.020
 FGH  plan-2  C19  0.020
 FGH  plan-2  C17  0.020
 FGH  plan-2  C16  0.020
 FGH  plan-2  N1   0.020
 FGH  plan-2  C6   0.020
 FGH  plan-3  O1   0.020
 FGH  plan-3  C21  0.020
 FGH  plan-3  C22  0.020
 FGH  plan-3  C14  0.020
 FGH  plan-4  C11  0.020
 FGH  plan-4  N    0.020
 FGH  plan-4  C10  0.020
 FGH  plan-4  O    0.020
 FGH  plan-4  C9   0.020
 FGH  plan-4  H27  0.020

