# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Thu Apr  2 22:11:33 2020
#   Inital geometry file: a 158 line input string
#   Ligand name: N-{[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl}-N-(2-methoxyethyl)naphthalene-2-carboxamide
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: COCCN(C[C@@H]1CCCN(C1)C2Cc3ccccc3C2)C(=O)c4ccc5ccccc5c4
#
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
 3F9  3F9  N-{[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl}-N-(2-methoxyethyl)naphthalene-2-carboxamide  ligand  67  33  .  2021-08-04  2021-08-04  
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as OK
;

data_comp_3F9
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
 3F9  N1   N  NT    0  -0.441  -1.1217   0.3486   0.6051
 3F9  C4   C  CR16  0  -0.263   6.5650   2.0541  -1.6882
 3F9  C5   C  CR16  0  -0.310  -7.1054  -0.8771  -1.6044
 3F9  C6   C  CR16  0  -0.314  -6.9300   0.8746   0.5649
 3F9  C7   C  CR16  0  -0.305  -4.7110  -1.4426  -1.3355
 3F9  C8   C  CR16  0  -0.264  -3.5245  -1.2736  -0.6797
 3F9  C10  C  CR16  0  -0.340   6.0304   1.9504  -0.4051
 3F9  C13  C  CR66  0   0.127  -5.7776   0.1580   0.1648
 3F9  C15  C  CR56  0   0.120   6.2178  -0.4508  -0.5621
 3F9  C17  C  C     0   0.512  -2.1526  -0.2907   1.1925
 3F9  C20  C  CH2   0  -0.434   1.8263  -2.8909  -0.0385
 3F9  C21  C  CH2   0  -0.429   0.7231  -2.0141   0.5329
 3F9  C22  C  CH2   0  -0.290   3.1243  -2.6804   0.7211
 3F9  C24  C  CH1   0  -0.254   1.1908  -0.5662   0.5790
 3F9  C26  C  CH2   0  -0.300   0.1836   0.3669   1.2501
 3F9  C28  C  CH2   0  -0.119  -1.8252   2.5062  -0.4260
 3F9  C1   C  CR16  0  -0.256  -8.2040  -0.1714  -1.1952
 3F9  C2   C  CR16  0  -0.256  -8.1149   0.7144  -0.1002
 3F9  C3   C  CR16  0  -0.262   6.9253   0.9138  -2.3959
 3F9  C9   C  CR16  0  -0.336   6.7541  -0.3504  -1.8341
 3F9  C11  C  CR16  0  -0.339  -4.5413   0.2999   0.8363
 3F9  C12  C  CR66  0   0.114  -5.8668  -0.7306  -0.9374
 3F9  C14  C  CR6   0  -0.079  -3.4334  -0.3866   0.4183
 3F9  C16  C  CR56  0   0.118   5.8600   0.6934   0.1478
 3F9  C18  C  CH2   0  -0.501   5.9344  -1.6694   0.2694
 3F9  C19  C  CH2   0  -0.528   5.3433   0.2909   1.4986
 3F9  C23  C  CH2   0  -0.255   2.5275  -0.4565   1.3105
 3F9  C25  C  CR15  0  -0.093   4.8836  -1.1627   1.2832
 3F9  C27  C  CH2   0  -0.370  -1.2626   1.1131  -0.6264
 3F9  N2   N  NT    0  -0.418   3.5485  -1.2867   0.6942
 3F9  O1   O  O     0  -0.484  -2.0904  -0.8090   2.2994
 3F9  O2   O  O2    0  -0.479  -0.9736   3.2547   0.4001
 3F9  C33  C  CH3   0  -0.393  -1.4709   4.5417   0.6648
 3F9  H2   H  HCR6  0   0.259  -7.1716  -1.5561  -2.4459
 3F9  H3   H  HCR6  0   0.258  -6.8603   1.5550   1.4048
 3F9  H4   H  HCR6  0   0.261  -4.7757  -2.1281  -2.1714
 3F9  H5   H  HCR6  0   0.267  -2.6491  -1.8263  -0.9994
 3F9  H6   H  HCR6  0   0.244   5.7513   2.8428   0.1424
 3F9  H7   H  HCH2  0   0.231   1.5471  -3.9456   0.0128
 3F9  H8   H  HCH2  0   0.216   1.9825  -2.6509  -1.0945
 3F9  H9   H  HCH2  0   0.232  -0.1855  -2.1091  -0.0665
 3F9  H10  H  HCH2  0   0.212   0.4742  -2.3476   1.5468
 3F9  H11  H  HCH2  0   0.186   2.9944  -3.0274   1.7632
 3F9  H12  H  HCH2  0   0.238   3.9022  -3.3074   0.2844
 3F9  H13  H  HCH1  0   0.224   1.3605  -0.2256  -0.4507
 3F9  H14  H  HCH2  0   0.256   0.5593   1.3913   1.2391
 3F9  H15  H  HCH2  0   0.252   0.0543   0.0834   2.2938
 3F9  H16  H  HCH2  0   0.212  -1.9363   2.9760  -1.4140
 3F9  H17  H  HCH2  0   0.203  -2.8333   2.4437   0.0073
 3F9  H18  H  HCR6  0   0.261  -9.1477  -0.2888  -1.7117
 3F9  H19  H  HCR6  0   0.261  -8.9902   1.2695   0.2109
 3F9  H20  H  HCR6  0   0.249   7.3372   1.0085  -3.3927
 3F9  H21  H  HCR6  0   0.243   7.0305  -1.2372  -2.3923
 3F9  H22  H  HCR6  0   0.264  -4.4814   0.9743   1.6833
 3F9  H23  H  HCH2  0   0.254   5.6040  -2.5264  -0.3164
 3F9  H24  H  HCH2  0   0.249   6.8389  -1.9841   0.8007
 3F9  H25  H  HCH2  0   0.262   6.1733   0.2728   2.2132
 3F9  H26  H  HCH2  0   0.257   4.5987   0.9624   1.9209
 3F9  H27  H  HCH2  0   0.237   2.8367   0.5880   1.2816
 3F9  H28  H  HCH2  0   0.182   2.3764  -0.7189   2.3752
 3F9  H29  H  HCR5  0   0.215   4.9378  -1.7213   2.2307
 3F9  H30  H  HCH2  0   0.267  -0.2797   1.1765  -1.0954
 3F9  H31  H  HCH2  0   0.276  -1.8980   0.5914  -1.3409
 3F9  H33  H  HCH3  0   0.234  -0.7708   5.0423   1.3322
 3F9  H34  H  HCH3  0   0.205  -1.5689   5.1412  -0.2480
 3F9  H35  H  HCH3  0   0.205  -2.4529   4.5092   1.1518
 3F9  H1   H  HCR6  0   0.249   6.6982   3.0298  -2.1381

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
 3F9  C4   C10  aromatic  1.394  0.020  1.394
 3F9  C4   C3   aromatic  1.390  0.020  1.390
 3F9  C10  C16  aromatic  1.384  0.020  1.384
 3F9  C3   C9   aromatic  1.394  0.020  1.394
 3F9  C16  C15  aromatic  1.393  0.020  1.393
 3F9  C16  C19  single    1.501  0.020  1.501
 3F9  C9   C15  aromatic  1.384  0.020  1.384
 3F9  C15  C18  single    1.502  0.020  1.502
 3F9  C19  C25  single    1.540  0.020  1.540
 3F9  C18  C25  single    1.546  0.020  1.546
 3F9  C25  N2   single    1.465  0.020  1.465
 3F9  C27  C28  single    1.516  0.020  1.516
 3F9  C27  N1   single    1.456  0.020  1.456
 3F9  O1   C17  double    1.224  0.020  1.224
 3F9  N2   C23  single    1.453  0.020  1.453
 3F9  N2   C22  single    1.457  0.020  1.457
 3F9  C23  C24  single    1.528  0.020  1.528
 3F9  C28  O2   single    1.403  0.020  1.403
 3F9  N1   C17  single    1.348  0.020  1.348
 3F9  N1   C26  single    1.456  0.020  1.456
 3F9  C17  C14  single    1.500  0.020  1.500
 3F9  C33  O2   single    1.405  0.020  1.405
 3F9  C24  C26  single    1.528  0.020  1.528
 3F9  C24  C21  single    1.522  0.020  1.522
 3F9  C22  C20  single    1.519  0.020  1.519
 3F9  C8   C14  aromatic  1.414  0.020  1.414
 3F9  C8   C7   aromatic  1.366  0.020  1.366
 3F9  C14  C11  aromatic  1.369  0.020  1.369
 3F9  C20  C21  single    1.521  0.020  1.521
 3F9  C7   C12  aromatic  1.415  0.020  1.415
 3F9  C11  C13  aromatic  1.414  0.020  1.414
 3F9  C12  C13  aromatic  1.419  0.020  1.419
 3F9  C12  C5   aromatic  1.414  0.020  1.414
 3F9  C13  C6   aromatic  1.415  0.020  1.415
 3F9  C5   C1   aromatic  1.368  0.020  1.368
 3F9  C6   C2   aromatic  1.368  0.020  1.368
 3F9  C1   C2   aromatic  1.411  0.020  1.411
 3F9  C4   H1   single    0.930  0.020  1.080
 3F9  C5   H2   single    0.930  0.020  1.080
 3F9  C6   H3   single    0.930  0.020  1.080
 3F9  C7   H4   single    0.930  0.020  1.080
 3F9  C8   H5   single    0.930  0.020  1.080
 3F9  C10  H6   single    0.930  0.020  1.080
 3F9  C20  H7   single    0.970  0.020  1.090
 3F9  C20  H8   single    0.970  0.020  1.090
 3F9  C21  H9   single    0.970  0.020  1.090
 3F9  C21  H10  single    0.970  0.020  1.090
 3F9  C22  H11  single    0.970  0.020  1.090
 3F9  C22  H12  single    0.970  0.020  1.090
 3F9  C24  H13  single    0.970  0.020  1.090
 3F9  C26  H14  single    0.970  0.020  1.090
 3F9  C26  H15  single    0.970  0.020  1.090
 3F9  C28  H16  single    0.970  0.020  1.090
 3F9  C28  H17  single    0.970  0.020  1.090
 3F9  C1   H18  single    0.930  0.020  1.080
 3F9  C2   H19  single    0.930  0.020  1.080
 3F9  C3   H20  single    0.930  0.020  1.080
 3F9  C9   H21  single    0.930  0.020  1.080
 3F9  C11  H22  single    0.930  0.020  1.080
 3F9  C18  H23  single    0.970  0.020  1.090
 3F9  C18  H24  single    0.970  0.020  1.090
 3F9  C19  H25  single    0.970  0.020  1.090
 3F9  C19  H26  single    0.970  0.020  1.090
 3F9  C23  H27  single    0.970  0.020  1.090
 3F9  C23  H28  single    0.970  0.020  1.090
 3F9  C25  H29  single    0.970  0.020  1.090
 3F9  C27  H30  single    0.970  0.020  1.090
 3F9  C27  H31  single    0.970  0.020  1.090
 3F9  C33  H33  single    0.970  0.020  1.090
 3F9  C33  H34  single    0.970  0.020  1.090
 3F9  C33  H35  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
 3F9  C27  N1   C26  117.04  3.000
 3F9  C26  N1   C17  119.91  3.000
 3F9  C27  N1   C17  122.92  3.000
 3F9  H1   C4   C3   119.74  3.000
 3F9  H1   C4   C10  119.79  3.000
 3F9  C3   C4   C10  120.47  3.000
 3F9  H2   C5   C12  119.00  3.000
 3F9  H2   C5   C1   120.43  3.000
 3F9  C12  C5   C1   120.57  3.000
 3F9  H3   C6   C2   120.41  3.000
 3F9  H3   C6   C13  119.01  3.000
 3F9  C2   C6   C13  120.57  3.000
 3F9  H4   C7   C12  119.15  3.000
 3F9  H4   C7   C8   120.04  3.000
 3F9  C12  C7   C8   120.81  3.000
 3F9  H5   C8   C14  119.79  3.000
 3F9  H5   C8   C7   119.80  3.000
 3F9  C14  C8   C7   120.41  3.000
 3F9  H6   C10  C16  120.97  3.000
 3F9  H6   C10  C4   120.17  3.000
 3F9  C16  C10  C4   118.86  3.000
 3F9  C12  C13  C11  119.13  3.000
 3F9  C12  C13  C6   119.06  3.000
 3F9  C11  C13  C6   121.80  3.000
 3F9  C18  C15  C16  109.62  3.000
 3F9  C18  C15  C9   129.84  3.000
 3F9  C16  C15  C9   120.54  3.000
 3F9  O1   C17  C14  118.90  3.000
 3F9  C14  C17  N1   117.30  3.000
 3F9  O1   C17  N1   123.79  3.000
 3F9  H8   C20  H7   107.08  3.000
 3F9  H8   C20  C22  109.29  3.000
 3F9  H7   C20  C22  109.20  3.000
 3F9  H8   C20  C21  109.87  3.000
 3F9  H7   C20  C21  110.71  3.000
 3F9  C22  C20  C21  110.62  3.000
 3F9  H10  C21  H9   107.00  3.000
 3F9  H10  C21  C24  109.34  3.000
 3F9  H9   C21  C24  110.78  3.000
 3F9  H10  C21  C20  109.69  3.000
 3F9  H9   C21  C20  110.31  3.000
 3F9  C24  C21  C20  109.69  3.000
 3F9  H12  C22  H11  106.31  3.000
 3F9  H12  C22  N2   109.57  3.000
 3F9  H11  C22  N2   110.58  3.000
 3F9  H12  C22  C20  109.25  3.000
 3F9  H11  C22  C20  109.12  3.000
 3F9  N2   C22  C20  111.85  3.000
 3F9  H13  C24  C23  106.95  3.000
 3F9  H13  C24  C26  108.93  3.000
 3F9  C23  C24  C26  108.82  3.000
 3F9  H13  C24  C21  108.31  3.000
 3F9  C26  C24  C21  113.05  3.000
 3F9  C23  C24  C21  110.58  3.000
 3F9  H15  C26  H14  107.15  3.000
 3F9  H15  C26  C24  109.88  3.000
 3F9  H14  C26  C24  109.99  3.000
 3F9  H15  C26  N1   108.35  3.000
 3F9  H14  C26  N1   108.42  3.000
 3F9  C24  C26  N1   112.87  3.000
 3F9  H17  C28  H16  106.62  3.000
 3F9  H17  C28  O2   110.79  3.000
 3F9  H16  C28  O2   111.26  3.000
 3F9  H17  C28  C27  109.89  3.000
 3F9  H16  C28  C27  108.14  3.000
 3F9  O2   C28  C27  110.05  3.000
 3F9  H18  C1   C2   119.57  3.000
 3F9  H18  C1   C5   120.09  3.000
 3F9  C2   C1   C5   120.33  3.000
 3F9  H19  C2   C1   119.60  3.000
 3F9  H19  C2   C6   120.05  3.000
 3F9  C1   C2   C6   120.36  3.000
 3F9  H20  C3   C9   119.80  3.000
 3F9  H20  C3   C4   119.72  3.000
 3F9  C9   C3   C4   120.47  3.000
 3F9  H21  C9   C3   120.21  3.000
 3F9  H21  C9   C15  120.86  3.000
 3F9  C3   C9   C15  118.93  3.000
 3F9  H22  C11  C14  120.39  3.000
 3F9  H22  C11  C13  118.79  3.000
 3F9  C14  C11  C13  120.82  3.000
 3F9  C13  C12  C7   118.85  3.000
 3F9  C13  C12  C5   119.10  3.000
 3F9  C7   C12  C5   122.05  3.000
 3F9  C11  C14  C17  120.10  3.000
 3F9  C11  C14  C8   119.96  3.000
 3F9  C17  C14  C8   119.73  3.000
 3F9  C19  C16  C15  109.07  3.000
 3F9  C19  C16  C10  130.20  3.000
 3F9  C15  C16  C10  120.72  3.000
 3F9  H24  C18  H23  106.57  3.000
 3F9  H24  C18  C25  109.73  3.000
 3F9  H23  C18  C25  113.86  3.000
 3F9  H24  C18  C15  110.23  3.000
 3F9  H23  C18  C15  113.44  3.000
 3F9  C25  C18  C15  103.03  3.000
 3F9  H26  C19  H25  105.99  3.000
 3F9  H26  C19  C25  115.63  3.000
 3F9  H25  C19  C25  107.58  3.000
 3F9  H26  C19  C16  114.79  3.000
 3F9  H25  C19  C16  109.31  3.000
 3F9  C25  C19  C16  103.30  3.000
 3F9  H28  C23  H27  106.95  3.000
 3F9  H28  C23  N2   111.62  3.000
 3F9  H27  C23  N2   109.69  3.000
 3F9  H28  C23  C24  108.91  3.000
 3F9  H27  C23  C24  107.72  3.000
 3F9  N2   C23  C24  111.76  3.000
 3F9  H29  C25  N2   110.36  3.000
 3F9  H29  C25  C19  110.11  3.000
 3F9  N2   C25  C19  114.11  3.000
 3F9  H29  C25  C18  111.38  3.000
 3F9  N2   C25  C18  109.16  3.000
 3F9  C19  C25  C18  101.43  3.000
 3F9  H31  C27  H30  105.75  3.000
 3F9  H31  C27  C28  108.08  3.000
 3F9  H30  C27  C28  109.75  3.000
 3F9  H31  C27  N1   111.08  3.000
 3F9  H30  C27  N1   107.87  3.000
 3F9  C28  C27  N1   113.99  3.000
 3F9  C25  N2   C23  114.93  3.000
 3F9  C23  N2   C22  109.52  3.000
 3F9  C25  N2   C22  109.82  3.000
 3F9  C33  O2   C28  112.63  3.000
 3F9  H35  C33  H34  107.81  3.000
 3F9  H35  C33  H33  108.49  3.000
 3F9  H34  C33  H33  108.44  3.000
 3F9  H35  C33  O2   111.93  3.000
 3F9  H34  C33  O2   112.07  3.000
 3F9  H33  C33  O2   108.00  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
 3F9  CONST_01  C15  C16  C10  C4      0.00   0.0  0
 3F9  CONST_02  C15  C9   C3   C4      0.00   0.0  0
 3F9  CONST_03  C8   C7   C12  C5    180.00   0.0  0
 3F9  CONST_04  C11  C13  C12  C5    180.00   0.0  0
 3F9  CONST_05  C6   C13  C12  C5      0.00   0.0  0
 3F9  CONST_06  C6   C2   C1   C5      0.00   0.0  0
 3F9  CONST_07  C14  C11  C13  C6    180.00   0.0  0
 3F9  CONST_08  C7   C12  C13  C6    180.00   0.0  0
 3F9  CONST_09  C11  C14  C8   C7      0.00   0.0  0
 3F9  CONST_10  C11  C13  C12  C7      0.00   0.0  0
 3F9  CONST_11  C1   C5   C12  C7    180.00   0.0  0
 3F9  CONST_12  C13  C11  C14  C8      0.00   0.0  0
 3F9  CONST_13  C13  C12  C7   C8      0.00   0.0  0
 3F9  CONST_14  C9   C3   C4   C10     0.00   0.0  0
 3F9  CONST_15  C9   C15  C16  C10     0.00   0.0  0
 3F9  CONST_16  C1   C5   C12  C13     0.00   0.0  0
 3F9  CONST_17  C1   C2   C6   C13     0.00   0.0  0
 3F9  CONST_18  C11  C13  C6   C2    180.00   0.0  0
 3F9  CONST_19  C12  C13  C6   C2      0.00   0.0  0
 3F9  CONST_20  C12  C5   C1   C2      0.00   0.0  0
 3F9  CONST_21  C16  C10  C4   C3      0.00   0.0  0
 3F9  CONST_22  C16  C15  C9   C3      0.00   0.0  0
 3F9  CONST_23  C14  C8   C7   C12     0.00   0.0  0
 3F9  CONST_24  C14  C11  C13  C12     0.00   0.0  0
 3F9  CONST_25  C17  C14  C8   C7    180.00   0.0  0
 3F9  CONST_26  C17  C14  C11  C13   180.00   0.0  0
 3F9  CONST_27  H21  C9   C3   C4    180.00   0.0  0
 3F9  CONST_28  H4   C7   C12  C5      0.00   0.0  0
 3F9  CONST_29  H19  C2   C1   C5    180.00   0.0  0
 3F9  CONST_30  H22  C11  C13  C6      0.00   0.0  0
 3F9  CONST_31  H18  C1   C2   C6    180.00   0.0  0
 3F9  CONST_32  H2   C5   C12  C7      0.00   0.0  0
 3F9  CONST_33  H20  C3   C4   C10   180.00   0.0  0
 3F9  CONST_34  H6   C10  C16  C15   180.00   0.0  0
 3F9  CONST_35  H3   C6   C2   C1    180.00   0.0  0
 3F9  CONST_36  H1   C4   C3   C9    180.00   0.0  0
 3F9  CONST_37  H5   C8   C14  C11   180.00   0.0  0
 3F9  CONST_38  C14  C17  N1   C26   180.00   0.0  0
 3F9  CONST_39  C27  N1   C17  C14     0.00   0.0  0
 3F9  CONST_40  O1   C17  N1   C26     0.00   0.0  0
 3F9  CONST_41  O1   C17  N1   C27   180.00   0.0  0
 3F9  Var_01    C25  C19  C16  C10   158.16  30.0  1
 3F9  Var_02    C25  N2   C22  C20  -172.61  30.0  1
 3F9  Var_03    N2   C22  C20  C21   -57.68  30.0  1
 3F9  Var_04    C24  C23  N2   C22   -59.95  30.0  1
 3F9  Var_05    C24  C21  C20  C22    53.17  30.0  1
 3F9  Var_06    C25  C18  C15  C9   -158.93  30.0  1
 3F9  Var_07    C8   C14  C17  N1     73.51  30.0  2
 3F9  Var_08    C24  C26  N1   C17   105.40  30.0  3
 3F9  Var_09    O2   C28  C27  N1     61.00  30.0  3
 3F9  Var_10    C28  C27  N1   C17    80.50  30.0  1
 3F9  Var_11    H33  C33  O2   C28   178.30  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
 3F9  chir_01  C24  C23  C26  C21  positiv
 3F9  chir_02  C25  N2   C18  C19  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
 3F9  plan-1  C4   0.020
 3F9  plan-1  C10  0.020
 3F9  plan-1  C15  0.020
 3F9  plan-1  C3   0.020
 3F9  plan-1  C9   0.020
 3F9  plan-1  C16  0.020
 3F9  plan-1  C18  0.020
 3F9  plan-1  C19  0.020
 3F9  plan-1  H6   0.020
 3F9  plan-1  H20  0.020
 3F9  plan-1  H21  0.020
 3F9  plan-1  H1   0.020
 3F9  plan-2  C5   0.020
 3F9  plan-2  C6   0.020
 3F9  plan-2  C7   0.020
 3F9  plan-2  C8   0.020
 3F9  plan-2  C13  0.020
 3F9  plan-2  C17  0.020
 3F9  plan-2  C1   0.020
 3F9  plan-2  C2   0.020
 3F9  plan-2  C11  0.020
 3F9  plan-2  C12  0.020
 3F9  plan-2  C14  0.020
 3F9  plan-2  H2   0.020
 3F9  plan-2  H3   0.020
 3F9  plan-2  H4   0.020
 3F9  plan-2  H5   0.020
 3F9  plan-2  H18  0.020
 3F9  plan-2  H19  0.020
 3F9  plan-2  H22  0.020
 3F9  plan-3  N1   0.020
 3F9  plan-3  C17  0.020
 3F9  plan-3  C26  0.020
 3F9  plan-3  C14  0.020
 3F9  plan-3  C27  0.020
 3F9  plan-3  O1   0.020

