# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Mon May  4 22:25:34 2020
#   Inital geometry file: a 165 line input string
#   Ligand name: 4-(4-oxidanylidene-1'-propan-2-yl-spiro[3~{H}-chromene-2,4'-piperidine]-6-yl)-~{N}-(phenylmethyl)benzamide
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: CC(C)N1CCC2(CC1)CC(=O)c3cc(ccc3O2)c4ccc(cc4)C(=O)NCc5ccccc5
#
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
 GH8  GH8  4-(4-oxidanylidene-1'-propan-2-yl-spiro[3~{H}-chromene-2,4'-piperidine]-6-yl)-~{N}-(phenylmethyl)benzamide  ligand  67  35  .  2021-08-10  2021-08-10  
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as PERFECT
;

data_comp_GH8
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
 GH8  N1   N  NT    0  -0.420   -7.3965  -1.1357  -0.5664
 GH8  C4   C  CH2   0  -0.301   -7.4799  -0.2295   0.5683
 GH8  C5   C  CH2   0  -0.456   -6.4903   0.9187   0.4524
 GH8  C6   C  CT    0   0.174   -5.0575   0.4372   0.3046
 GH8  C7   C  CH2   0  -0.450   -5.0108  -0.5702  -0.8416
 GH8  C8   C  CH2   0  -0.291   -6.0491  -1.6720  -0.6749
 GH8  C10  C  C     0   0.395   -3.0274  -0.4054   1.5268
 GH8  C13  C  CR6   0   0.091   -0.1515   1.5310   0.0359
 GH8  C15  C  CR16  0  -0.343   -2.2467   2.5167  -0.7008
 GH8  C17  C  CR6   0   0.096    1.3219   1.5525   0.0714
 GH8  C20  C  CR6   0  -0.049    4.1310   1.6007   0.1784
 GH8  C21  C  CR16  0  -0.273    3.4423   0.3900   0.1387
 GH8  C22  C  CR16  0  -0.299    2.0586   0.3675   0.0859
 GH8  C24  C  CH2   0  -0.335    7.7496   0.5599  -0.2176
 GH8  C26  C  CR16  0  -0.292    8.5760  -1.5151  -1.3713
 GH8  C28  C  CR16  0  -0.264    8.9367  -3.5679  -0.1711
 GH8  C1   C  CH3   0  -0.684   -9.8252  -1.5872  -0.4718
 GH8  C2   C  CH1   0  -0.043   -8.4195  -2.1851  -0.5110
 GH8  C3   C  CH3   0  -0.688   -8.3284  -3.1268  -1.7106
 GH8  C9   C  CH2   0  -0.598   -4.5073  -0.1379   1.6062
 GH8  O1   O  O     0  -0.393   -2.4939  -1.3173   2.1239
 GH8  C11  C  CR6   0  -0.116   -2.2710   0.5641   0.7185
 GH8  C12  C  CR16  0  -0.350   -0.8751   0.5676   0.7194
 GH8  C14  C  CR16  0  -0.287   -0.8692   2.5077  -0.6710
 GH8  C16  C  CR6   0   0.396   -2.9625   1.5429  -0.0030
 GH8  O2   O  O2    0  -0.483   -4.2964   1.6074  -0.0491
 GH8  C18  C  CR16  0  -0.303    2.0187   2.7619   0.1112
 GH8  C19  C  CR16  0  -0.252    3.4002   2.7858   0.1741
 GH8  C23  C  C     0   0.534    5.6194   1.6870   0.2719
 GH8  O3   O  O     0  -0.491    6.1660   2.6575   0.7806
 GH8  N2   N  NH1   0  -0.642    6.3019   0.6454  -0.2319
 GH8  C25  C  CR6   0   0.073    8.1803  -0.8809  -0.1983
 GH8  C27  C  CR16  0  -0.242    8.9539  -2.8523  -1.3600
 GH8  C29  C  CR16  0  -0.241    8.5369  -2.9430   1.0047
 GH8  C30  C  CR16  0  -0.288    8.1572  -1.6091   0.9890
 GH8  H2   H  HCH2  0   0.255   -8.4729   0.2139   0.6106
 GH8  H3   H  HCH2  0   0.197   -7.3427  -0.7638   1.5255
 GH8  H4   H  HCH2  0   0.248   -6.7475   1.5159  -0.4266
 GH8  H5   H  HCH2  0   0.250   -6.5861   1.5682   1.3259
 GH8  H6   H  HCH2  0   0.251   -5.2080  -0.0424  -1.7783
 GH8  H7   H  HCH2  0   0.249   -4.0248  -1.0332  -0.9387
 GH8  H8   H  HCH2  0   0.196   -5.7959  -2.3120   0.1887
 GH8  H9   H  HCH2  0   0.256   -5.9773  -2.3102  -1.5532
 GH8  H10  H  HCR6  0   0.275   -2.7787   3.2706  -1.2664
 GH8  H11  H  HCR6  0   0.258    3.9726  -0.5534   0.1729
 GH8  H12  H  HCR6  0   0.262    1.5497  -0.5869   0.0408
 GH8  H13  H  HCH2  0   0.256    8.1742   1.0661  -1.0896
 GH8  H14  H  HCH2  0   0.264    8.1127   1.0816   0.6673
 GH8  H16  H  HCR6  0   0.258    9.2314  -4.6093  -0.1585
 GH8  H17  H  HCH3  0   0.221   -9.9717  -0.8969  -1.3051
 GH8  H18  H  HCH3  0   0.234  -10.5654  -2.3824  -0.5583
 GH8  H19  H  HCH3  0   0.235  -10.0447  -1.0542   0.4524
 GH8  H20  H  HCH1  0   0.188   -8.2863  -2.7931   0.4026
 GH8  H21  H  HCH3  0   0.236   -7.4304  -3.7430  -1.7076
 GH8  H22  H  HCH3  0   0.235   -9.1783  -3.8088  -1.7031
 GH8  H23  H  HCH3  0   0.222   -8.3551  -2.5654  -2.6468
 GH8  H24  H  HCH2  0   0.300   -4.6580   0.5849   2.4179
 GH8  H25  H  HCH2  0   0.284   -5.0336  -1.0479   1.8945
 GH8  H26  H  HCR6  0   0.267   -0.3618  -0.1868   1.3028
 GH8  H27  H  HCR6  0   0.269   -0.3369   3.2678  -1.2290
 GH8  H28  H  HCR6  0   0.261    1.4770   3.6994   0.1191
 GH8  H29  H  HCR6  0   0.261    3.9146   3.7363   0.2201
 GH8  H30  H  HNH1  0   0.406    5.8108  -0.0423  -0.7798
 GH8  H31  H  HCR6  0   0.257    9.2624  -3.3325  -2.2794
 GH8  H32  H  HCR6  0   0.257    8.5254  -3.4960   1.9352
 GH8  H33  H  HCR6  0   0.253    7.8500  -1.1269   1.9095
 GH8  H15  H  HCR6  0   0.254    8.5934  -0.9573  -2.3006

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
 GH8  C29  C28  aromatic  1.390  0.020  1.390
 GH8  C29  C30  aromatic  1.387  0.020  1.387
 GH8  C28  C27  aromatic  1.388  0.020  1.388
 GH8  C30  C25  aromatic  1.393  0.020  1.393
 GH8  O3   C23  double    1.224  0.020  1.224
 GH8  C27  C26  aromatic  1.390  0.020  1.390
 GH8  C25  C26  aromatic  1.391  0.020  1.391
 GH8  C25  C24  single    1.504  0.020  1.504
 GH8  C21  C22  aromatic  1.385  0.020  1.385
 GH8  C21  C20  aromatic  1.393  0.020  1.393
 GH8  C23  C20  single    1.494  0.020  1.494
 GH8  C23  N2   single    1.343  0.020  1.343
 GH8  C22  C17  aromatic  1.395  0.020  1.395
 GH8  O1   C10  double    1.214  0.020  1.214
 GH8  C24  N2   single    1.450  0.020  1.450
 GH8  C20  C19  aromatic  1.392  0.020  1.392
 GH8  C5   C4   single    1.520  0.020  1.520
 GH8  C5   C6   single    1.519  0.020  1.519
 GH8  C4   N1   single    1.455  0.020  1.455
 GH8  C10  C11  single    1.472  0.020  1.472
 GH8  C10  C9   single    1.506  0.020  1.506
 GH8  C12  C11  aromatic  1.396  0.020  1.396
 GH8  C12  C13  aromatic  1.385  0.020  1.385
 GH8  C3   C2   single    1.528  0.020  1.528
 GH8  C17  C13  single    1.474  0.020  1.474
 GH8  C17  C18  aromatic  1.396  0.020  1.396
 GH8  C11  C16  aromatic  1.399  0.020  1.399
 GH8  C9   C6   single    1.526  0.020  1.526
 GH8  C19  C18  aromatic  1.383  0.020  1.383
 GH8  C13  C14  aromatic  1.403  0.020  1.403
 GH8  C6   C7   single    1.527  0.020  1.527
 GH8  C6   O2   single    1.440  0.020  1.440
 GH8  N1   C2   single    1.467  0.020  1.467
 GH8  N1   C8   single    1.454  0.020  1.454
 GH8  C2   C1   single    1.528  0.020  1.528
 GH8  C16  O2   single    1.336  0.020  1.336
 GH8  C16  C15  aromatic  1.396  0.020  1.396
 GH8  C14  C15  aromatic  1.378  0.020  1.378
 GH8  C7   C8   single    1.523  0.020  1.523
 GH8  C4   H2   single    0.970  0.020  1.090
 GH8  C4   H3   single    0.970  0.020  1.090
 GH8  C5   H4   single    0.970  0.020  1.090
 GH8  C5   H5   single    0.970  0.020  1.090
 GH8  C7   H6   single    0.970  0.020  1.090
 GH8  C7   H7   single    0.970  0.020  1.090
 GH8  C8   H8   single    0.970  0.020  1.090
 GH8  C8   H9   single    0.970  0.020  1.090
 GH8  C15  H10  single    0.930  0.020  1.080
 GH8  C21  H11  single    0.930  0.020  1.080
 GH8  C22  H12  single    0.930  0.020  1.080
 GH8  C24  H13  single    0.970  0.020  1.090
 GH8  C24  H14  single    0.970  0.020  1.090
 GH8  C26  H15  single    0.930  0.020  1.080
 GH8  C28  H16  single    0.930  0.020  1.080
 GH8  C1   H17  single    0.970  0.020  1.090
 GH8  C1   H18  single    0.970  0.020  1.090
 GH8  C1   H19  single    0.970  0.020  1.090
 GH8  C2   H20  single    0.970  0.020  1.090
 GH8  C3   H21  single    0.970  0.020  1.090
 GH8  C3   H22  single    0.970  0.020  1.090
 GH8  C3   H23  single    0.970  0.020  1.090
 GH8  C9   H24  single    0.970  0.020  1.090
 GH8  C9   H25  single    0.970  0.020  1.090
 GH8  C12  H26  single    0.930  0.020  1.080
 GH8  C14  H27  single    0.930  0.020  1.080
 GH8  C18  H28  single    0.930  0.020  1.080
 GH8  C19  H29  single    0.930  0.020  1.080
 GH8  N2   H30  single    0.860  0.020  1.020
 GH8  C27  H31  single    0.930  0.020  1.080
 GH8  C29  H32  single    0.930  0.020  1.080
 GH8  C30  H33  single    0.930  0.020  1.080

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
 GH8  C2   N1   C8   112.66  3.000
 GH8  C8   N1   C4   109.94  3.000
 GH8  C2   N1   C4   112.11  3.000
 GH8  H3   C4   H2   106.06  3.000
 GH8  H3   C4   C5   110.52  3.000
 GH8  H2   C4   C5   106.81  3.000
 GH8  H3   C4   N1   111.56  3.000
 GH8  H2   C4   N1   109.66  3.000
 GH8  C5   C4   N1   111.95  3.000
 GH8  H5   C5   H4   107.29  3.000
 GH8  H5   C5   C6   110.43  3.000
 GH8  H4   C5   C6   108.47  3.000
 GH8  H5   C5   C4   109.32  3.000
 GH8  H4   C5   C4   108.71  3.000
 GH8  C6   C5   C4   112.47  3.000
 GH8  O2   C6   C9   108.98  3.000
 GH8  O2   C6   C7   109.61  3.000
 GH8  C9   C6   C7   112.38  3.000
 GH8  O2   C6   C5   105.36  3.000
 GH8  C7   C6   C5   108.13  3.000
 GH8  C9   C6   C5   112.13  3.000
 GH8  H7   C7   H6   106.92  3.000
 GH8  H7   C7   C8   108.54  3.000
 GH8  H6   C7   C8   108.67  3.000
 GH8  H7   C7   C6   111.94  3.000
 GH8  H6   C7   C6   108.62  3.000
 GH8  C8   C7   C6   111.98  3.000
 GH8  H9   C8   H8   106.03  3.000
 GH8  H9   C8   C7   106.92  3.000
 GH8  H8   C8   C7   110.40  3.000
 GH8  H9   C8   N1   109.73  3.000
 GH8  H8   C8   N1   111.58  3.000
 GH8  C7   C8   N1   111.90  3.000
 GH8  C11  C10  O1   122.64  3.000
 GH8  C11  C10  C9   114.65  3.000
 GH8  O1   C10  C9   122.65  3.000
 GH8  C14  C13  C12  117.74  3.000
 GH8  C14  C13  C17  120.88  3.000
 GH8  C12  C13  C17  121.36  3.000
 GH8  H10  C15  C16  119.69  3.000
 GH8  H10  C15  C14  120.49  3.000
 GH8  C16  C15  C14  119.83  3.000
 GH8  C18  C17  C22  118.15  3.000
 GH8  C18  C17  C13  120.80  3.000
 GH8  C22  C17  C13  121.04  3.000
 GH8  C23  C20  C19  118.29  3.000
 GH8  C19  C20  C21  118.69  3.000
 GH8  C23  C20  C21  122.99  3.000
 GH8  H11  C21  C22  118.45  3.000
 GH8  H11  C21  C20  120.94  3.000
 GH8  C22  C21  C20  120.60  3.000
 GH8  H12  C22  C21  119.05  3.000
 GH8  H12  C22  C17  120.00  3.000
 GH8  C21  C22  C17  120.94  3.000
 GH8  H14  C24  H13  107.24  3.000
 GH8  H14  C24  C25  110.66  3.000
 GH8  H13  C24  C25  110.02  3.000
 GH8  H14  C24  N2   108.20  3.000
 GH8  H13  C24  N2   110.63  3.000
 GH8  C25  C24  N2   110.03  3.000
 GH8  H15  C26  C27  119.85  3.000
 GH8  H15  C26  C25  119.54  3.000
 GH8  C27  C26  C25  120.61  3.000
 GH8  H16  C28  C29  120.06  3.000
 GH8  H16  C28  C27  120.18  3.000
 GH8  C29  C28  C27  119.76  3.000
 GH8  H19  C1   H18  106.72  3.000
 GH8  H19  C1   H17  108.13  3.000
 GH8  H18  C1   H17  108.03  3.000
 GH8  H19  C1   C2   113.49  3.000
 GH8  H18  C1   C2   109.71  3.000
 GH8  H17  C1   C2   110.56  3.000
 GH8  H20  C2   C3   107.62  3.000
 GH8  H20  C2   C1   107.75  3.000
 GH8  C3   C2   C1   108.43  3.000
 GH8  H20  C2   N1   109.92  3.000
 GH8  C1   C2   N1   111.27  3.000
 GH8  C3   C2   N1   111.70  3.000
 GH8  H23  C3   H22  107.97  3.000
 GH8  H23  C3   H21  108.27  3.000
 GH8  H22  C3   H21  106.79  3.000
 GH8  H23  C3   C2   110.79  3.000
 GH8  H22  C3   C2   109.50  3.000
 GH8  H21  C3   C2   113.32  3.000
 GH8  H25  C9   H24  106.73  3.000
 GH8  H25  C9   C10  109.89  3.000
 GH8  H24  C9   C10  106.91  3.000
 GH8  H25  C9   C6   111.48  3.000
 GH8  H24  C9   C6   109.47  3.000
 GH8  C10  C9   C6   112.11  3.000
 GH8  C16  C11  C12  119.54  3.000
 GH8  C16  C11  C10  119.35  3.000
 GH8  C12  C11  C10  121.02  3.000
 GH8  H26  C12  C11  118.20  3.000
 GH8  H26  C12  C13  120.18  3.000
 GH8  C11  C12  C13  121.59  3.000
 GH8  H27  C14  C15  118.41  3.000
 GH8  H27  C14  C13  119.78  3.000
 GH8  C15  C14  C13  121.80  3.000
 GH8  O2   C16  C11  123.03  3.000
 GH8  O2   C16  C15  117.46  3.000
 GH8  C11  C16  C15  119.51  3.000
 GH8  C16  O2   C6   118.68  3.000
 GH8  H28  C18  C19  118.97  3.000
 GH8  H28  C18  C17  120.03  3.000
 GH8  C19  C18  C17  120.97  3.000
 GH8  H29  C19  C18  119.48  3.000
 GH8  H29  C19  C20  119.88  3.000
 GH8  C18  C19  C20  120.64  3.000
 GH8  N2   C23  O3   122.93  3.000
 GH8  N2   C23  C20  115.97  3.000
 GH8  O3   C23  C20  121.10  3.000
 GH8  H30  N2   C23  119.06  3.000
 GH8  H30  N2   C24  116.86  3.000
 GH8  C23  N2   C24  123.31  3.000
 GH8  C30  C25  C26  119.03  3.000
 GH8  C26  C25  C24  120.49  3.000
 GH8  C30  C25  C24  120.46  3.000
 GH8  H31  C27  C28  120.17  3.000
 GH8  H31  C27  C26  119.84  3.000
 GH8  C28  C27  C26  119.99  3.000
 GH8  H32  C29  C30  119.88  3.000
 GH8  H32  C29  C28  120.03  3.000
 GH8  C30  C29  C28  120.10  3.000
 GH8  H33  C30  C29  119.73  3.000
 GH8  H33  C30  C25  119.75  3.000
 GH8  C29  C30  C25  120.52  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
 GH8  CONST_01  C16  C11  C12  C13     0.00   0.0  0
 GH8  CONST_02  C21  C22  C17  C13   180.00   0.0  0
 GH8  CONST_03  C19  C18  C17  C13   180.00   0.0  0
 GH8  CONST_04  C16  C15  C14  C13     0.00   0.0  0
 GH8  CONST_05  C12  C11  C16  C15     0.00   0.0  0
 GH8  CONST_06  C12  C13  C14  C15     0.00   0.0  0
 GH8  CONST_07  C17  C13  C14  C15   180.00   0.0  0
 GH8  CONST_08  C20  C21  C22  C17     0.00   0.0  0
 GH8  CONST_09  C11  C12  C13  C17   180.00   0.0  0
 GH8  CONST_10  C20  C19  C18  C17     0.00   0.0  0
 GH8  CONST_11  C18  C17  C22  C21     0.00   0.0  0
 GH8  CONST_12  C18  C19  C20  C21     0.00   0.0  0
 GH8  CONST_13  C19  C20  C21  C22     0.00   0.0  0
 GH8  CONST_16  C19  C18  C17  C22     0.00   0.0  0
 GH8  CONST_17  C29  C28  C27  C26     0.00   0.0  0
 GH8  CONST_18  C29  C30  C25  C26     0.00   0.0  0
 GH8  CONST_19  C25  C30  C29  C28     0.00   0.0  0
 GH8  CONST_20  C25  C26  C27  C28     0.00   0.0  0
 GH8  CONST_21  C14  C13  C12  C11     0.00   0.0  0
 GH8  CONST_22  C14  C15  C16  C11     0.00   0.0  0
 GH8  CONST_25  C30  C29  C28  C27     0.00   0.0  0
 GH8  CONST_26  C30  C25  C26  C27     0.00   0.0  0
 GH8  CONST_27  C23  C20  C21  C22   180.00   0.0  0
 GH8  CONST_28  C29  C30  C25  C24   180.00   0.0  0
 GH8  CONST_29  C27  C26  C25  C24   180.00   0.0  0
 GH8  CONST_30  C23  C20  C19  C18   180.00   0.0  0
 GH8  CONST_31  H26  C12  C11  C10     0.00   0.0  0
 GH8  CONST_32  H12  C22  C17  C13     0.00   0.0  0
 GH8  CONST_33  H28  C18  C17  C13     0.00   0.0  0
 GH8  CONST_34  H10  C15  C14  C13   180.00   0.0  0
 GH8  CONST_35  H11  C21  C22  C17   180.00   0.0  0
 GH8  CONST_36  H27  C14  C13  C17     0.00   0.0  0
 GH8  CONST_37  H29  C19  C18  C17   180.00   0.0  0
 GH8  CONST_38  H16  C28  C27  C26   180.00   0.0  0
 GH8  CONST_39  H33  C30  C25  C26   180.00   0.0  0
 GH8  CONST_40  H15  C26  C27  C28   180.00   0.0  0
 GH8  CONST_41  H32  C29  C30  C25   180.00   0.0  0
 GH8  CONST_42  H31  C27  C26  C25   180.00   0.0  0
 GH8  CONST_43  C24  N2   C23  C20   180.00   0.0  0
 GH8  CONST_44  H30  N2   C23  C20     0.00   0.0  0
 GH8  CONST_45  O3   C23  N2   C24     0.00   0.0  0
 GH8  Var_01    C6   C5   C4   N1    -56.72  30.0  1
 GH8  Var_02    C6   C7   C8   N1     57.10  30.0  1
 GH8  Var_03    C9   C6   C5   C4    -72.39  30.0  3
 GH8  Var_04    C7   C8   N1   C4    -58.68  30.0  1
 GH8  Var_05    C8   N1   C4   C5     58.33  30.0  1
 GH8  Var_06    C10  C9   C6   C5   -170.61  30.0  1
 GH8  Var_07    C8   C7   C6   C5    -52.14  30.0  3
 GH8  Var_08    C11  C10  C9   C6     35.14  30.0  1
 GH8  Var_09    C11  C16  O2   C6    -18.99  30.0  1
 GH8  Var_10    C12  C11  C10  C9    170.10  30.0  1
 GH8  Var_11    C3   C2   N1   C4    179.69  30.0  3
 GH8  Var_12    O3   C23  C20  C21  -152.98  30.0  2
 GH8  Var_13    N2   C24  C25  C26    99.16  30.0  2
 GH8  Var_14    C25  C24  N2   C23   152.34  30.0  1
 GH8  Var_15    H21  C3   C2   N1     68.23  30.0  3
 GH8  Var_16    H17  C1   C2   N1     53.83  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
 GH8  plan-1  C13  0.020
 GH8  plan-1  C17  0.020
 GH8  plan-1  C20  0.020
 GH8  plan-1  C21  0.020
 GH8  plan-1  C22  0.020
 GH8  plan-1  C18  0.020
 GH8  plan-1  C19  0.020
 GH8  plan-1  C23  0.020
 GH8  plan-1  H11  0.020
 GH8  plan-1  H12  0.020
 GH8  plan-1  H28  0.020
 GH8  plan-1  H29  0.020
 GH8  plan-2  C10  0.020
 GH8  plan-2  C13  0.020
 GH8  plan-2  C15  0.020
 GH8  plan-2  C17  0.020
 GH8  plan-2  C11  0.020
 GH8  plan-2  C12  0.020
 GH8  plan-2  C14  0.020
 GH8  plan-2  C16  0.020
 GH8  plan-2  O2   0.020
 GH8  plan-2  H10  0.020
 GH8  plan-2  H26  0.020
 GH8  plan-2  H27  0.020
 GH8  plan-3  C24  0.020
 GH8  plan-3  C26  0.020
 GH8  plan-3  C28  0.020
 GH8  plan-3  C25  0.020
 GH8  plan-3  C27  0.020
 GH8  plan-3  C29  0.020
 GH8  plan-3  C30  0.020
 GH8  plan-3  H16  0.020
 GH8  plan-3  H31  0.020
 GH8  plan-3  H32  0.020
 GH8  plan-3  H33  0.020
 GH8  plan-3  H15  0.020
 GH8  plan-4  C20  0.020
 GH8  plan-4  C24  0.020
 GH8  plan-4  C23  0.020
 GH8  plan-4  O3   0.020
 GH8  plan-4  N2   0.020
 GH8  plan-4  H30  0.020
 GH8  plan-5  C10  0.020
 GH8  plan-5  C9   0.020
 GH8  plan-5  O1   0.020
 GH8  plan-5  C11  0.020

