# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Wed Jul 21 16:19:20 2021
#   Inital geometry file: a 153 line input string
#   Ligand name: ~{N}-[(3-acetamidophenyl)methyl]-1-[(1~{R})-1-naphthalen-1-ylethyl]piperidine-4-carboxamide
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: C[C@@H](N1CCC(CC1)C(=O)NCc2cccc(NC(C)=O)c2)c3cccc4ccccc34
#
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
 GYX  GYX  ~{N}-[(3-acetamidophenyl)methyl]-1-[(1~{R})-1-naphthalen-1-ylethyl]piperidine-4-carboxamide  ligand  63  32  .  2022-03-18  2022-07-25
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as PERFECT
;

data_comp_GYX
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
 GYX  C19  C  CR16  0  -0.376  -10.0774  -31.2463   0.6361
 GYX  C21  C  CH2   0  -0.428  -10.3303  -26.6610  -2.0166
 GYX  C22  C  CH2   0  -0.286  -11.3460  -26.0918  -2.9969
 GYX  C23  C  CR6   0   0.142  -13.9272  -28.0466  -4.8302
 GYX  C24  C  CR16  0  -0.346  -15.2919  -28.1782  -4.8077
 GYX  C25  C  CR16  0  -0.241  -15.9355  -29.3640  -5.2192
 GYX  C26  C  CR16  0  -0.334  -15.2011  -30.4244  -5.6624
 GYX  C27  C  CR66  0   0.105  -13.7894  -30.3400  -5.7128
 GYX  C10  C  CR6   0   0.104   -8.7590  -30.8247   0.7829
 GYX  C11  C  CR16  0  -0.329   -7.7409  -31.7582   0.9305
 GYX  C12  C  CR16  0  -0.230   -8.0467  -33.1123   0.9392
 GYX  C13  C  CR16  0  -0.360   -9.3535  -33.5383   0.7894
 GYX  C14  C  CR6   0   0.393  -10.3843  -32.6072   0.6327
 GYX  C16  C  C     0   0.502  -12.8483  -32.4758   0.2418
 GYX  C17  C  CH3   0  -0.787  -14.0162  -33.4091   0.0415
 GYX  C01  C  CH3   0  -0.696  -14.1822  -25.5745  -4.2198
 GYX  C02  C  CH1   0  -0.183  -13.2400  -26.7675  -4.3855
 GYX  C04  C  CH2   0  -0.277  -13.1353  -27.3500  -2.0047
 GYX  C05  C  CH2   0  -0.412  -12.2002  -27.9509  -0.9662
 GYX  C06  C  CH1   0  -0.397  -11.0182  -27.0115  -0.6979
 GYX  C07  C  C     0   0.552  -10.1193  -27.6080   0.3700
 GYX  C09  C  CH2   0  -0.336   -8.4257  -29.3506   0.8139
 GYX  C28  C  CR66  0   0.085  -13.1394  -29.1480  -5.2911
 GYX  C29  C  CR16  0  -0.311  -11.7241  -29.1051  -5.3681
 GYX  C30  C  CR16  0  -0.256  -11.0057  -30.1721  -5.8370
 GYX  C31  C  CR16  0  -0.263  -11.6565  -31.3519  -6.2486
 GYX  C32  C  CR16  0  -0.312  -13.0197  -31.4294  -6.1862
 GYX  N03  N  NT    0  -0.407  -12.4118  -27.0449  -3.2190
 GYX  N08  N  NH1   0  -0.629   -9.2649  -28.5608  -0.0515
 GYX  N15  N  NH1   0  -0.733  -11.6743  -33.1218   0.4794
 GYX  O18  O  O     0  -0.459  -12.9554  -31.2651   0.1697
 GYX  O20  O  O     0  -0.495  -10.2102  -27.2713   1.5432
 GYX  H1   H  HCR6  0   0.288  -10.8603  -30.5145   0.5240
 GYX  H2   H  HCH2  0   0.219   -9.8824  -27.5458  -2.4792
 GYX  H3   H  HCH2  0   0.245   -9.5299  -25.9361  -1.8539
 GYX  H4   H  HCH2  0   0.237  -10.8519  -25.8887  -3.9509
 GYX  H5   H  HCH2  0   0.199  -11.7090  -25.1204  -2.6182
 GYX  H7   H  HCR6  0   0.254  -17.0155  -29.4224  -5.1812
 GYX  H8   H  HCR6  0   0.252  -15.6857  -31.3374  -5.9876
 GYX  H9   H  HCR6  0   0.250   -6.7134  -31.4317   1.0359
 GYX  H10  H  HCR6  0   0.259   -7.2591  -33.8456   1.0532
 GYX  H11  H  HCR6  0   0.268   -9.5768  -34.5989   0.7871
 GYX  H12  H  HCH3  0   0.267  -14.9509  -32.8640   0.1424
 GYX  H13  H  HCH3  0   0.276  -13.9763  -33.8365  -0.9624
 GYX  H14  H  HCH3  0   0.262  -14.0095  -34.2370   0.7500
 GYX  H15  H  HCH3  0   0.246  -13.6116  -24.6862  -3.9475
 GYX  H16  H  HCH3  0   0.238  -14.7026  -25.3525  -5.1521
 GYX  H17  H  HCH3  0   0.227  -14.9332  -25.7344  -3.4454
 GYX  H18  H  HCH1  0   0.243  -12.5416  -26.4980  -5.1867
 GYX  H19  H  HCH2  0   0.193  -13.6246  -26.4608  -1.5717
 GYX  H20  H  HCH2  0   0.243  -13.9264  -28.0692  -2.2273
 GYX  H21  H  HCH2  0   0.239  -12.7543  -28.1362  -0.0438
 GYX  H22  H  HCH2  0   0.226  -11.8393  -28.9185  -1.3254
 GYX  H23  H  HCH1  0   0.250  -11.4121  -26.0843  -0.2682
 GYX  H24  H  HCH2  0   0.262   -7.3774  -29.2109   0.5403
 GYX  H25  H  HCH2  0   0.270   -8.5367  -28.9669   1.8282
 GYX  H26  H  HCR6  0   0.255  -11.1939  -28.2233  -5.0421
 GYX  H27  H  HCR6  0   0.254   -9.9262  -30.1107  -5.8879
 GYX  H28  H  HCR6  0   0.255  -11.0776  -32.1900  -6.6143
 GYX  H29  H  HCR6  0   0.252  -13.5327  -32.3288  -6.5055
 GYX  H31  H  HNH1  0   0.400   -9.2481  -28.7954  -1.0308
 GYX  H32  H  HNH1  0   0.416  -11.7292  -34.1287   0.5099
 GYX  H6   H  HCR6  0   0.254  -15.9089  -27.3567  -4.4685

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
 GYX  C31  C32  aromatic  1.367  0.020  1.367
 GYX  C31  C30  aromatic  1.409  0.020  1.409
 GYX  C32  C27  aromatic  1.415  0.020  1.415
 GYX  C30  C29  aromatic  1.369  0.020  1.369
 GYX  C26  C27  aromatic  1.415  0.020  1.415
 GYX  C26  C25  aromatic  1.364  0.020  1.364
 GYX  C27  C28  aromatic  1.422  0.020  1.422
 GYX  C29  C28  aromatic  1.418  0.020  1.418
 GYX  C25  C24  aromatic  1.411  0.020  1.411
 GYX  C28  C23  aromatic  1.430  0.020  1.430
 GYX  C24  C23  aromatic  1.371  0.020  1.371
 GYX  C23  C02  single    1.519  0.020  1.519
 GYX  C02  C01  single    1.529  0.020  1.529
 GYX  C02  N03  single    1.457  0.020  1.457
 GYX  N03  C22  single    1.447  0.020  1.447
 GYX  N03  C04  single    1.446  0.020  1.446
 GYX  C22  C21  single    1.522  0.020  1.522
 GYX  C04  C05  single    1.521  0.020  1.521
 GYX  C21  C06  single    1.528  0.020  1.528
 GYX  C05  C06  single    1.534  0.020  1.534
 GYX  C06  C07  single    1.518  0.020  1.518
 GYX  N08  C07  single    1.347  0.020  1.347
 GYX  N08  C09  single    1.441  0.020  1.441
 GYX  C07  O20  double    1.224  0.020  1.224
 GYX  C09  C10  single    1.512  0.020  1.512
 GYX  C10  C11  aromatic  1.389  0.020  1.389
 GYX  C10  C19  aromatic  1.392  0.020  1.392
 GYX  C11  C12  aromatic  1.388  0.020  1.388
 GYX  C19  C14  aromatic  1.395  0.020  1.395
 GYX  C12  C13  aromatic  1.383  0.020  1.383
 GYX  O18  C16  double    1.218  0.020  1.218
 GYX  C14  C13  aromatic  1.398  0.020  1.398
 GYX  C14  N15  single    1.397  0.020  1.397
 GYX  C16  N15  single    1.361  0.020  1.361
 GYX  C16  C17  single    1.508  0.020  1.508
 GYX  C19  H1   single    0.930  0.020  1.080
 GYX  C21  H2   single    0.970  0.020  1.090
 GYX  C21  H3   single    0.970  0.020  1.090
 GYX  C22  H4   single    0.970  0.020  1.090
 GYX  C22  H5   single    0.970  0.020  1.090
 GYX  C24  H6   single    0.930  0.020  1.080
 GYX  C25  H7   single    0.930  0.020  1.080
 GYX  C26  H8   single    0.930  0.020  1.080
 GYX  C11  H9   single    0.930  0.020  1.080
 GYX  C12  H10  single    0.930  0.020  1.080
 GYX  C13  H11  single    0.930  0.020  1.080
 GYX  C17  H12  single    0.970  0.020  1.090
 GYX  C17  H13  single    0.970  0.020  1.090
 GYX  C17  H14  single    0.970  0.020  1.090
 GYX  C01  H15  single    0.970  0.020  1.090
 GYX  C01  H16  single    0.970  0.020  1.090
 GYX  C01  H17  single    0.970  0.020  1.090
 GYX  C02  H18  single    0.970  0.020  1.090
 GYX  C04  H19  single    0.970  0.020  1.090
 GYX  C04  H20  single    0.970  0.020  1.090
 GYX  C05  H21  single    0.970  0.020  1.090
 GYX  C05  H22  single    0.970  0.020  1.090
 GYX  C06  H23  single    0.970  0.020  1.090
 GYX  C09  H24  single    0.970  0.020  1.090
 GYX  C09  H25  single    0.970  0.020  1.090
 GYX  C29  H26  single    0.930  0.020  1.080
 GYX  C30  H27  single    0.930  0.020  1.080
 GYX  C31  H28  single    0.930  0.020  1.080
 GYX  C32  H29  single    0.930  0.020  1.080
 GYX  N08  H31  single    0.860  0.020  1.020
 GYX  N15  H32  single    0.860  0.020  1.020

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
 GYX  H1   C19  C14  120.15  3.000
 GYX  H1   C19  C10  119.57  3.000
 GYX  C14  C19  C10  120.27  3.000
 GYX  H3   C21  H2   107.44  3.000
 GYX  H3   C21  C06  110.71  3.000
 GYX  H2   C21  C06  111.33  3.000
 GYX  H3   C21  C22  109.68  3.000
 GYX  H2   C21  C22  107.65  3.000
 GYX  C06  C21  C22  109.95  3.000
 GYX  H5   C22  H4   106.53  3.000
 GYX  H5   C22  N03  112.95  3.000
 GYX  H4   C22  N03  108.74  3.000
 GYX  H5   C22  C21  109.12  3.000
 GYX  H4   C22  C21  109.27  3.000
 GYX  N03  C22  C21  110.12  3.000
 GYX  C28  C23  C02  119.58  3.000
 GYX  C02  C23  C24  121.76  3.000
 GYX  C28  C23  C24  118.66  3.000
 GYX  H6   C24  C25  118.00  3.000
 GYX  H6   C24  C23  120.00  3.000
 GYX  C25  C24  C23  122.00  3.000
 GYX  H7   C25  C26  120.45  3.000
 GYX  H7   C25  C24  119.37  3.000
 GYX  C26  C25  C24  120.18  3.000
 GYX  H8   C26  C27  119.06  3.000
 GYX  H8   C26  C25  120.79  3.000
 GYX  C27  C26  C25  120.15  3.000
 GYX  C32  C27  C28  119.73  3.000
 GYX  C28  C27  C26  119.71  3.000
 GYX  C32  C27  C26  120.56  3.000
 GYX  C09  C10  C11  119.44  3.000
 GYX  C11  C10  C19  120.12  3.000
 GYX  C09  C10  C19  120.42  3.000
 GYX  H9   C11  C12  120.15  3.000
 GYX  H9   C11  C10  120.20  3.000
 GYX  C12  C11  C10  119.65  3.000
 GYX  H10  C12  C13  119.38  3.000
 GYX  H10  C12  C11  120.09  3.000
 GYX  C13  C12  C11  120.53  3.000
 GYX  H11  C13  C14  119.97  3.000
 GYX  H11  C13  C12  119.77  3.000
 GYX  C14  C13  C12  120.26  3.000
 GYX  N15  C14  C13  116.60  3.000
 GYX  N15  C14  C19  124.24  3.000
 GYX  C13  C14  C19  119.16  3.000
 GYX  O18  C16  N15  123.93  3.000
 GYX  N15  C16  C17  113.42  3.000
 GYX  O18  C16  C17  122.63  3.000
 GYX  H14  C17  H13  107.47  3.000
 GYX  H14  C17  H12  109.03  3.000
 GYX  H13  C17  H12  108.25  3.000
 GYX  H14  C17  C16  112.27  3.000
 GYX  H13  C17  C16  109.64  3.000
 GYX  H12  C17  C16  110.08  3.000
 GYX  H17  C01  H16  107.96  3.000
 GYX  H17  C01  H15  107.61  3.000
 GYX  H16  C01  H15  107.31  3.000
 GYX  H17  C01  C02  112.75  3.000
 GYX  H16  C01  C02  111.11  3.000
 GYX  H15  C01  C02  109.88  3.000
 GYX  H18  C02  N03  105.65  3.000
 GYX  H18  C02  C01  106.25  3.000
 GYX  N03  C02  C01  114.33  3.000
 GYX  H18  C02  C23  106.33  3.000
 GYX  N03  C02  C23  109.35  3.000
 GYX  C01  C02  C23  114.20  3.000
 GYX  H20  C04  H19  106.83  3.000
 GYX  H20  C04  N03  109.28  3.000
 GYX  H19  C04  N03  112.42  3.000
 GYX  H20  C04  C05  108.92  3.000
 GYX  H19  C04  C05  108.85  3.000
 GYX  N03  C04  C05  110.43  3.000
 GYX  H22  C05  H21  107.15  3.000
 GYX  H22  C05  C06  110.19  3.000
 GYX  H21  C05  C06  110.32  3.000
 GYX  H22  C05  C04  109.16  3.000
 GYX  H21  C05  C04  109.38  3.000
 GYX  C06  C05  C04  110.57  3.000
 GYX  H23  C06  C07  105.64  3.000
 GYX  H23  C06  C05  108.06  3.000
 GYX  C07  C06  C05  109.81  3.000
 GYX  H23  C06  C21  107.84  3.000
 GYX  C07  C06  C21  115.51  3.000
 GYX  C05  C06  C21  109.66  3.000
 GYX  O20  C07  N08  122.78  3.000
 GYX  O20  C07  C06  121.48  3.000
 GYX  N08  C07  C06  115.68  3.000
 GYX  H25  C09  H24  106.60  3.000
 GYX  H25  C09  N08  107.85  3.000
 GYX  H24  C09  N08  109.78  3.000
 GYX  H25  C09  C10  109.87  3.000
 GYX  H24  C09  C10  109.34  3.000
 GYX  N08  C09  C10  113.19  3.000
 GYX  C29  C28  C27  117.75  3.000
 GYX  C29  C28  C23  122.95  3.000
 GYX  C27  C28  C23  119.29  3.000
 GYX  H26  C29  C30  118.84  3.000
 GYX  H26  C29  C28  119.91  3.000
 GYX  C30  C29  C28  121.25  3.000
 GYX  H27  C30  C31  119.64  3.000
 GYX  H27  C30  C29  119.68  3.000
 GYX  C31  C30  C29  120.68  3.000
 GYX  H28  C31  C32  120.33  3.000
 GYX  H28  C31  C30  120.01  3.000
 GYX  C32  C31  C30  119.66  3.000
 GYX  H29  C32  C31  120.38  3.000
 GYX  H29  C32  C27  118.69  3.000
 GYX  C31  C32  C27  120.93  3.000
 GYX  C04  N03  C02  115.34  3.000
 GYX  C04  N03  C22  112.25  3.000
 GYX  C02  N03  C22  114.59  3.000
 GYX  H31  N08  C09  116.52  3.000
 GYX  H31  N08  C07  118.65  3.000
 GYX  C09  N08  C07  124.68  3.000
 GYX  H32  N15  C16  115.60  3.000
 GYX  H32  N15  C14  114.49  3.000
 GYX  C16  N15  C14  129.85  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
 GYX  CONST_01  C12  C11  C10  C19    0.00   0.0  0
 GYX  CONST_02  C12  C13  C14  C19    0.00   0.0  0
 GYX  CONST_03  C32  C27  C28  C23  180.00   0.0  0
 GYX  CONST_04  C26  C27  C28  C23    0.00   0.0  0
 GYX  CONST_05  C30  C29  C28  C23  180.00   0.0  0
 GYX  CONST_06  C26  C25  C24  C23    0.00   0.0  0
 GYX  CONST_07  C27  C26  C25  C24    0.00   0.0  0
 GYX  CONST_08  C27  C28  C23  C24    0.00   0.0  0
 GYX  CONST_09  C29  C28  C23  C24  180.00   0.0  0
 GYX  CONST_10  C32  C27  C26  C25  180.00   0.0  0
 GYX  CONST_11  C28  C27  C26  C25    0.00   0.0  0
 GYX  CONST_12  C28  C23  C24  C25    0.00   0.0  0
 GYX  CONST_13  C31  C32  C27  C26  180.00   0.0  0
 GYX  CONST_14  C29  C28  C27  C26  180.00   0.0  0
 GYX  CONST_15  C30  C31  C32  C27    0.00   0.0  0
 GYX  CONST_16  C30  C29  C28  C27    0.00   0.0  0
 GYX  CONST_17  C13  C12  C11  C10    0.00   0.0  0
 GYX  CONST_18  C13  C14  C19  C10    0.00   0.0  0
 GYX  CONST_19  C14  C19  C10  C11    0.00   0.0  0
 GYX  CONST_20  C14  C13  C12  C11    0.00   0.0  0
 GYX  CONST_21  C31  C32  C27  C28    0.00   0.0  0
 GYX  CONST_22  C31  C30  C29  C28    0.00   0.0  0
 GYX  CONST_23  C32  C31  C30  C29    0.00   0.0  0
 GYX  CONST_24  C32  C27  C28  C29    0.00   0.0  0
 GYX  CONST_25  C02  C23  C24  C25  180.00   0.0  0
 GYX  CONST_26  C02  C23  C28  C27  180.00   0.0  0
 GYX  CONST_27  N15  C14  C19  C10  180.00   0.0  0
 GYX  CONST_28  C09  C10  C11  C12  180.00   0.0  0
 GYX  CONST_29  N15  C14  C13  C12  180.00   0.0  0
 GYX  CONST_30  C09  C10  C19  C14  180.00   0.0  0
 GYX  CONST_31  C29  C28  C23  C02    0.00   0.0  0
 GYX  CONST_32  H9   C11  C10  C19  180.00   0.0  0
 GYX  CONST_33  H11  C13  C14  C19  180.00   0.0  0
 GYX  CONST_34  H26  C29  C28  C23    0.00   0.0  0
 GYX  CONST_35  H7   C25  C24  C23  180.00   0.0  0
 GYX  CONST_36  H8   C26  C25  C24  180.00   0.0  0
 GYX  CONST_37  H29  C32  C27  C26    0.00   0.0  0
 GYX  CONST_38  H6   C24  C25  C26  180.00   0.0  0
 GYX  CONST_39  H28  C31  C32  C27  180.00   0.0  0
 GYX  CONST_40  H10  C12  C11  C10  180.00   0.0  0
 GYX  CONST_41  H1   C19  C10  C11  180.00   0.0  0
 GYX  CONST_42  H27  C30  C29  C28  180.00   0.0  0
 GYX  CONST_43  C16  N15  C14  C19    0.00   0.0  0
 GYX  CONST_44  C16  N15  C14  C13  180.00   0.0  0
 GYX  CONST_45  H32  N15  C14  C19  180.00   0.0  0
 GYX  CONST_46  O18  C16  N15  C14    0.00   0.0  0
 GYX  CONST_47  C17  C16  N15  C14  180.00   0.0  0
 GYX  CONST_48  C09  N08  C07  C06  180.00   0.0  0
 GYX  CONST_49  H31  N08  C07  C06    0.00   0.0  0
 GYX  CONST_50  O20  C07  N08  C09    0.00   0.0  0
 GYX  Var_01    C04  N03  C22  C21   61.39  30.0  1
 GYX  Var_02    C05  C04  N03  C22  -60.31  30.0  1
 GYX  Var_03    N03  C22  C21  C06  -58.01  30.0  1
 GYX  Var_04    N03  C04  C05  C06   56.00  30.0  1
 GYX  Var_05    N08  C09  C10  C19  -35.13  30.0  3
 GYX  Var_06    C07  N08  C09  C10  116.07  30.0  3
 GYX  Var_07    H12  C17  C16  N15  163.75  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
 GYX  chir_01  C02  C23  C01  N03  negativ
 GYX  chir_02  C06  C21  C05  C07  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
 GYX  plan-1  C19  0.020
 GYX  plan-1  C10  0.020
 GYX  plan-1  C11  0.020
 GYX  plan-1  C12  0.020
 GYX  plan-1  C13  0.020
 GYX  plan-1  C14  0.020
 GYX  plan-1  C09  0.020
 GYX  plan-1  N15  0.020
 GYX  plan-1  H1   0.020
 GYX  plan-1  H9   0.020
 GYX  plan-1  H10  0.020
 GYX  plan-1  H11  0.020
 GYX  plan-2  C23  0.020
 GYX  plan-2  C24  0.020
 GYX  plan-2  C25  0.020
 GYX  plan-2  C26  0.020
 GYX  plan-2  C27  0.020
 GYX  plan-2  C02  0.020
 GYX  plan-2  C28  0.020
 GYX  plan-2  C29  0.020
 GYX  plan-2  C30  0.020
 GYX  plan-2  C31  0.020
 GYX  plan-2  C32  0.020
 GYX  plan-2  H7   0.020
 GYX  plan-2  H8   0.020
 GYX  plan-2  H26  0.020
 GYX  plan-2  H27  0.020
 GYX  plan-2  H28  0.020
 GYX  plan-2  H29  0.020
 GYX  plan-2  H6   0.020
 GYX  plan-3  C06  0.020
 GYX  plan-3  C07  0.020
 GYX  plan-3  C09  0.020
 GYX  plan-3  N08  0.020
 GYX  plan-3  O20  0.020
 GYX  plan-3  H31  0.020
 GYX  plan-4  C14  0.020
 GYX  plan-4  C16  0.020
 GYX  plan-4  C17  0.020
 GYX  plan-4  N15  0.020
 GYX  plan-4  O18  0.020
 GYX  plan-4  H32  0.020

