# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Wed Apr 29 15:51:42 2020
#   Inital geometry file: a 171 line input string
#   Ligand name: 6-[2-({benzyl[4-(furan-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: OC(=O)CCCCCOc1ccccc1CN(Cc2ccccc2)C(=O)c3ccc(cc3)c4cocc4
#
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
 7UD  7UD  '6-[2-({benzyl[4-(furan-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid'  ligand  68  37  .  2021-08-05  2023-02-16
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as PERFECT
;

data_comp_7UD
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
 7UD  C4   C  CR16  0  -0.274   2.3829   4.5578   1.0347
 7UD  C5   C  CR6   0   0.032   1.3569   3.6412   1.1852
 7UD  C6   C  CH2   0  -0.385   1.4095   2.5945   2.2656
 7UD  C7   C  CH2   0  -0.172  -1.7460   2.6356  -0.4266
 7UD  C8   C  CH2   0  -0.450  -2.5113   1.3753  -0.0810
 7UD  C10  C  CH2   0  -0.418  -4.4267  -0.1466  -0.7059
 7UD  C13  C  CH2   0  -0.367   2.8168   0.8175   1.3074
 7UD  C15  C  CR6   0  -0.107   0.6227  -1.0510   1.5496
 7UD  C17  C  CR16  0  -0.238   0.6197  -1.3185   0.1850
 7UD  C20  C  CR16  0  -0.323   0.5647  -3.4236   1.9783
 7UD  C21  C  CR6   0   0.124   3.2757   1.4319   0.0075
 7UD  C22  C  CR5   0   0.021   0.5492  -5.0754   0.1128
 7UD  C24  C  CR16  0  -0.222   2.8731   2.1948  -2.2467
 7UD  C26  C  CR16  0  -0.240   5.0945   2.2692  -1.3474
 7UD  C28  C  CR15  0  -0.408   0.1932  -5.5235  -1.2041
 7UD  O3   O  O     0  -0.477  -0.4147   0.6146   2.8206
 7UD  C14  C  C     0   0.552   0.5308   0.3393   2.0984
 7UD  C18  C  CR16  0  -0.317   0.5875  -2.6243  -0.2780
 7UD  C19  C  CR6   0   0.095   0.5693  -3.7007   0.6083
 7UD  C29  C  CR15  0  -0.034   0.8659  -6.2052   0.8014
 7UD  O4   O  O     0  -0.390   0.7281  -7.2903   0.0202
 7UD  C30  C  CR15  0   0.019   0.3176  -6.8678  -1.1934
 7UD  C16  C  CR16  0  -0.249   0.5773  -2.1207   2.4410
 7UD  N    N  NT    0  -0.451   1.5022   1.2268   1.7667
 7UD  C27  C  CR16  0  -0.313   4.6215   1.7445  -0.1520
 7UD  C25  C  CR16  0  -0.273   4.2196   2.4980  -2.3998
 7UD  C23  C  CR16  0  -0.280   2.4086   1.6603  -1.0551
 7UD  C3   C  CR16  0  -0.262   2.3467   5.5326   0.0443
 7UD  C2   C  CR16  0  -0.252   1.2553   5.5894  -0.8044
 7UD  C1   C  CR16  0  -0.373   0.2071   4.6845  -0.6734
 7UD  C    C  CR6   0   0.369   0.2593   3.7085   0.3154
 7UD  O    O  O2    0  -0.470  -0.6879   2.7717   0.5052
 7UD  C9   C  CH2   0  -0.426  -3.6909   1.1505  -1.0180
 7UD  C11  C  CH2   0  -0.581  -5.6067  -0.3666  -1.6377
 7UD  C12  C  C     0   0.551  -6.3567  -1.6421  -1.3720
 7UD  O1   O  O     0  -0.446  -6.0755  -2.4507  -0.5226
 7UD  O2   O  OH1   0  -0.598  -7.3904  -1.7916  -2.1965
 7UD  H3   H  HCR6  0   0.243   3.2367   4.4989   1.6996
 7UD  H5   H  HCH2  0   0.259   2.2768   2.7860   2.9041
 7UD  H4   H  HCH2  0   0.276   0.5295   2.6620   2.9017
 7UD  H7   H  HCH2  0   0.215  -1.3496   2.5667  -1.4468
 7UD  H6   H  HCH2  0   0.221  -2.4055   3.5113  -0.3899
 7UD  H8   H  HCH2  0   0.222  -1.8335   0.5183  -0.1351
 7UD  H9   H  HCH2  0   0.231  -2.8648   1.4321   0.9520
 7UD  H13  H  HCH2  0   0.226  -3.7307  -0.9858  -0.7846
 7UD  H12  H  HCH2  0   0.229  -4.7724  -0.1269   0.3308
 7UD  H16  H  HCH2  0   0.286   2.8402  -0.2682   1.2154
 7UD  H17  H  HCH2  0   0.265   3.5450   1.0623   2.0885
 7UD  H19  H  HCR6  0   0.260   0.6340  -0.5105  -0.5340
 7UD  H21  H  HCR6  0   0.256   0.5299  -4.2331   2.6964
 7UD  H23  H  HCR6  0   0.246   2.1787   2.3786  -3.0564
 7UD  H25  H  HCR6  0   0.251   6.1453   2.5078  -1.4516
 7UD  H27  H  HCR5  0   0.265  -0.1286  -4.9220  -2.0392
 7UD  H20  H  HCR6  0   0.257   0.5867  -2.7985  -1.3461
 7UD  H28  H  HCR5  0   0.289   1.2056  -6.3763   1.8103
 7UD  H29  H  HCR5  0   0.289   0.1497  -7.6260  -1.9407
 7UD  H18  H  HCR6  0   0.263   0.5575  -1.9376   3.5078
 7UD  H26  H  HCR6  0   0.245   5.3085   1.5868   0.6719
 7UD  H24  H  HCR6  0   0.250   4.5824   2.9162  -3.3299
 7UD  H22  H  HCR6  0   0.246   1.3531   1.4494  -0.9484
 7UD  H2   H  HCR6  0   0.244   3.1635   6.2338  -0.0610
 7UD  H1   H  HCR6  0   0.253   1.2075   6.3408  -1.5821
 7UD  H    H  HCR6  0   0.270  -0.6340   4.7511  -1.3506
 7UD  H11  H  HCH2  0   0.223  -4.3848   1.9943  -0.9461
 7UD  H10  H  HCH2  0   0.221  -3.3396   1.1303  -2.0552
 7UD  H15  H  HCH2  0   0.277  -6.3127   0.4667  -1.5674
 7UD  H14  H  HCH2  0   0.277  -5.2747  -0.3792  -2.6810
 7UD  H30  H  HOH1  0   0.478  -7.8443  -2.6255  -2.0046

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
 7UD  C25  C26  aromatic  1.388  0.020  1.388
 7UD  C25  C24  aromatic  1.389  0.020  1.389
 7UD  C26  C27  aromatic  1.389  0.020  1.389
 7UD  C24  C23  aromatic  1.386  0.020  1.386
 7UD  C27  C21  aromatic  1.391  0.020  1.391
 7UD  O1   C12  double    1.206  0.020  1.206
 7UD  C23  C21  aromatic  1.390  0.020  1.390
 7UD  C21  C13  single    1.509  0.020  1.509
 7UD  O2   C12  single    1.331  0.020  1.331
 7UD  C12  C11  single    1.503  0.020  1.503
 7UD  C13  N    single    1.451  0.020  1.451
 7UD  C2   C3   aromatic  1.384  0.020  1.384
 7UD  C2   C1   aromatic  1.391  0.020  1.391
 7UD  C3   C4   aromatic  1.390  0.020  1.390
 7UD  C1   C    aromatic  1.390  0.020  1.390
 7UD  C11  C10  single    1.520  0.020  1.520
 7UD  C4   C5   aromatic  1.384  0.020  1.384
 7UD  C9   C10  single    1.524  0.020  1.524
 7UD  C9   C8   single    1.523  0.020  1.523
 7UD  C    C5   aromatic  1.402  0.020  1.402
 7UD  C    O    single    1.346  0.020  1.346
 7UD  N    C6   single    1.459  0.020  1.459
 7UD  N    C14  single    1.357  0.020  1.357
 7UD  C5   C6   single    1.505  0.020  1.505
 7UD  O    C7   single    1.416  0.020  1.416
 7UD  C7   C8   single    1.514  0.020  1.514
 7UD  O3   C14  double    1.221  0.020  1.221
 7UD  C14  C15  single    1.498  0.020  1.498
 7UD  C15  C16  aromatic  1.393  0.020  1.393
 7UD  C15  C17  aromatic  1.391  0.020  1.391
 7UD  C16  C20  aromatic  1.383  0.020  1.383
 7UD  C17  C18  aromatic  1.386  0.020  1.386
 7UD  C20  C19  aromatic  1.398  0.020  1.398
 7UD  C18  C19  aromatic  1.394  0.020  1.394
 7UD  C19  C22  single    1.461  0.020  1.461
 7UD  C22  C29  aromatic  1.360  0.020  1.360
 7UD  C22  C28  aromatic  1.436  0.020  1.436
 7UD  C29  O4   aromatic  1.344  0.020  1.344
 7UD  C28  C30  aromatic  1.350  0.020  1.350
 7UD  O4   C30  aromatic  1.349  0.020  1.349
 7UD  C4   H3   single    0.930  0.020  1.080
 7UD  C6   H5   single    0.970  0.020  1.090
 7UD  C6   H4   single    0.970  0.020  1.090
 7UD  C7   H7   single    0.970  0.020  1.090
 7UD  C7   H6   single    0.970  0.020  1.090
 7UD  C8   H8   single    0.970  0.020  1.090
 7UD  C8   H9   single    0.970  0.020  1.090
 7UD  C10  H13  single    0.970  0.020  1.090
 7UD  C10  H12  single    0.970  0.020  1.090
 7UD  C13  H16  single    0.970  0.020  1.090
 7UD  C13  H17  single    0.970  0.020  1.090
 7UD  C17  H19  single    0.930  0.020  1.080
 7UD  C20  H21  single    0.930  0.020  1.080
 7UD  C24  H23  single    0.930  0.020  1.080
 7UD  C26  H25  single    0.930  0.020  1.080
 7UD  C28  H27  single    0.930  0.020  1.080
 7UD  C18  H20  single    0.930  0.020  1.080
 7UD  C29  H28  single    0.930  0.020  1.080
 7UD  C30  H29  single    0.930  0.020  1.080
 7UD  C16  H18  single    0.930  0.020  1.080
 7UD  C27  H26  single    0.930  0.020  1.080
 7UD  C25  H24  single    0.930  0.020  1.080
 7UD  C23  H22  single    0.930  0.020  1.080
 7UD  C3   H2   single    0.930  0.020  1.080
 7UD  C2   H1   single    0.930  0.020  1.080
 7UD  C1   H    single    0.930  0.020  1.080
 7UD  C9   H11  single    0.970  0.020  1.090
 7UD  C9   H10  single    0.970  0.020  1.090
 7UD  C11  H15  single    0.970  0.020  1.090
 7UD  C11  H14  single    0.970  0.020  1.090
 7UD  O2   H30  single    0.850  0.020  0.980

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
 7UD  H3   C4   C3   119.72  3.000
 7UD  H3   C4   C5   118.77  3.000
 7UD  C3   C4   C5   121.50  3.000
 7UD  C    C5   C6   120.40  3.000
 7UD  C6   C5   C4   120.84  3.000
 7UD  C    C5   C4   118.76  3.000
 7UD  H4   C6   H5   106.81  3.000
 7UD  H4   C6   N    108.03  3.000
 7UD  H5   C6   N    108.26  3.000
 7UD  H4   C6   C5   110.39  3.000
 7UD  H5   C6   C5   108.96  3.000
 7UD  N    C6   C5   114.12  3.000
 7UD  H6   C7   H7   107.37  3.000
 7UD  H6   C7   O    110.52  3.000
 7UD  H7   C7   O    110.36  3.000
 7UD  H6   C7   C8   110.67  3.000
 7UD  H7   C7   C8   110.04  3.000
 7UD  O    C7   C8   107.90  3.000
 7UD  H9   C8   H8   106.72  3.000
 7UD  H9   C8   C9   109.79  3.000
 7UD  H8   C8   C9   109.50  3.000
 7UD  H9   C8   C7   109.62  3.000
 7UD  H8   C8   C7   109.12  3.000
 7UD  C9   C8   C7   111.95  3.000
 7UD  H12  C10  H13  106.47  3.000
 7UD  H12  C10  C11  109.79  3.000
 7UD  H13  C10  C11  109.82  3.000
 7UD  H12  C10  C9   109.37  3.000
 7UD  H13  C10  C9   109.35  3.000
 7UD  C11  C10  C9   111.88  3.000
 7UD  H17  C13  H16  105.57  3.000
 7UD  H17  C13  N    108.26  3.000
 7UD  H16  C13  N    109.09  3.000
 7UD  H17  C13  C21  108.72  3.000
 7UD  H16  C13  C21  109.05  3.000
 7UD  N    C13  C21  115.67  3.000
 7UD  C16  C15  C14  118.45  3.000
 7UD  C16  C15  C17  118.69  3.000
 7UD  C14  C15  C17  122.55  3.000
 7UD  H19  C17  C18  118.82  3.000
 7UD  H19  C17  C15  120.57  3.000
 7UD  C18  C17  C15  120.61  3.000
 7UD  H21  C20  C16  118.88  3.000
 7UD  H21  C20  C19  120.13  3.000
 7UD  C16  C20  C19  120.98  3.000
 7UD  C23  C21  C27  118.62  3.000
 7UD  C23  C21  C13  122.38  3.000
 7UD  C27  C21  C13  118.98  3.000
 7UD  C29  C22  C19  127.33  3.000
 7UD  C29  C22  C28  105.23  3.000
 7UD  C19  C22  C28  127.44  3.000
 7UD  H23  C24  C23  119.58  3.000
 7UD  H23  C24  C25  120.17  3.000
 7UD  C23  C24  C25  120.25  3.000
 7UD  H25  C26  C25  120.17  3.000
 7UD  H25  C26  C27  119.79  3.000
 7UD  C25  C26  C27  120.03  3.000
 7UD  H27  C28  C30  126.09  3.000
 7UD  H27  C28  C22  127.60  3.000
 7UD  C30  C28  C22  106.30  3.000
 7UD  N    C14  O3   123.46  3.000
 7UD  O3   C14  C15  118.27  3.000
 7UD  N    C14  C15  118.27  3.000
 7UD  H20  C18  C19  120.20  3.000
 7UD  H20  C18  C17  118.78  3.000
 7UD  C19  C18  C17  121.02  3.000
 7UD  C18  C19  C22  120.72  3.000
 7UD  C22  C19  C20  121.25  3.000
 7UD  C18  C19  C20  118.03  3.000
 7UD  H28  C29  O4   116.62  3.000
 7UD  H28  C29  C22  132.74  3.000
 7UD  O4   C29  C22  110.64  3.000
 7UD  C30  O4   C29  107.53  3.000
 7UD  H29  C30  O4   116.80  3.000
 7UD  H29  C30  C28  132.90  3.000
 7UD  O4   C30  C28  110.30  3.000
 7UD  H18  C16  C20  119.28  3.000
 7UD  H18  C16  C15  120.08  3.000
 7UD  C20  C16  C15  120.64  3.000
 7UD  C14  N    C13  122.78  3.000
 7UD  C14  N    C6   118.95  3.000
 7UD  C13  N    C6   115.48  3.000
 7UD  H26  C27  C26  119.55  3.000
 7UD  H26  C27  C21  119.56  3.000
 7UD  C26  C27  C21  120.88  3.000
 7UD  H24  C25  C26  120.27  3.000
 7UD  H24  C25  C24  120.27  3.000
 7UD  C26  C25  C24  119.46  3.000
 7UD  H22  C23  C24  119.14  3.000
 7UD  H22  C23  C21  120.08  3.000
 7UD  C24  C23  C21  120.75  3.000
 7UD  H2   C3   C2   120.61  3.000
 7UD  H2   C3   C4   120.29  3.000
 7UD  C2   C3   C4   119.10  3.000
 7UD  H1   C2   C1   119.07  3.000
 7UD  H1   C2   C3   120.27  3.000
 7UD  C1   C2   C3   120.66  3.000
 7UD  H    C1   C    121.17  3.000
 7UD  H    C1   C2   119.13  3.000
 7UD  C    C1   C2   119.69  3.000
 7UD  O    C    C1   124.23  3.000
 7UD  O    C    C5   115.48  3.000
 7UD  C1   C    C5   120.29  3.000
 7UD  C    O    C7   120.00  3.000
 7UD  H10  C9   H11  106.25  3.000
 7UD  H10  C9   C10  109.46  3.000
 7UD  H11  C9   C10  109.67  3.000
 7UD  H10  C9   C8   109.69  3.000
 7UD  H11  C9   C8   109.67  3.000
 7UD  C10  C9   C8   111.94  3.000
 7UD  H14  C11  H15  105.40  3.000
 7UD  H14  C11  C12  108.05  3.000
 7UD  H15  C11  C12  108.23  3.000
 7UD  H14  C11  C10  110.52  3.000
 7UD  H15  C11  C10  110.57  3.000
 7UD  C12  C11  C10  113.70  3.000
 7UD  O2   C12  O1   122.83  3.000
 7UD  O2   C12  C11  111.92  3.000
 7UD  O1   C12  C11  125.25  3.000
 7UD  H30  O2   C12  109.76  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
 7UD  CONST_01  C1   C2   C3   C4      0.00   0.0  0
 7UD  CONST_02  C1   C    C5   C4      0.00   0.0  0
 7UD  CONST_03  C2   C3   C4   C5      0.00   0.0  0
 7UD  CONST_04  C2   C1   C    C5      0.00   0.0  0
 7UD  CONST_05  C19  C20  C16  C15     0.00   0.0  0
 7UD  CONST_06  C19  C18  C17  C15     0.00   0.0  0
 7UD  CONST_07  C20  C16  C15  C17     0.00   0.0  0
 7UD  CONST_08  C20  C19  C18  C17     0.00   0.0  0
 7UD  CONST_09  C22  C19  C18  C17   180.00   0.0  0
 7UD  CONST_12  C25  C26  C27  C21     0.00   0.0  0
 7UD  CONST_13  C25  C24  C23  C21     0.00   0.0  0
 7UD  CONST_14  C16  C20  C19  C22   180.00   0.0  0
 7UD  CONST_15  C30  O4   C29  C22     0.00   0.0  0
 7UD  CONST_16  O4   C30  C28  C22     0.00   0.0  0
 7UD  CONST_17  C27  C26  C25  C24     0.00   0.0  0
 7UD  CONST_18  C27  C21  C23  C24     0.00   0.0  0
 7UD  CONST_19  C23  C24  C25  C26     0.00   0.0  0
 7UD  CONST_20  C23  C21  C27  C26     0.00   0.0  0
 7UD  CONST_22  O4   C29  C22  C28     0.00   0.0  0
 7UD  CONST_23  C29  O4   C30  C28     0.00   0.0  0
 7UD  CONST_24  C16  C15  C17  C18     0.00   0.0  0
 7UD  CONST_25  C16  C20  C19  C18     0.00   0.0  0
 7UD  CONST_27  O4   C29  C22  C19   180.00   0.0  0
 7UD  CONST_28  C30  C28  C22  C19   180.00   0.0  0
 7UD  CONST_29  C30  C28  C22  C29     0.00   0.0  0
 7UD  CONST_30  C    C1   C2   C3      0.00   0.0  0
 7UD  CONST_31  C    C5   C4   C3      0.00   0.0  0
 7UD  CONST_32  O    C    C5   C4    180.00   0.0  0
 7UD  CONST_33  C3   C4   C5   C6    180.00   0.0  0
 7UD  CONST_34  C1   C    C5   C6    180.00   0.0  0
 7UD  CONST_35  C26  C27  C21  C13   180.00   0.0  0
 7UD  CONST_36  C24  C23  C21  C13   180.00   0.0  0
 7UD  CONST_37  C14  C15  C16  C20   180.00   0.0  0
 7UD  CONST_38  C18  C17  C15  C14   180.00   0.0  0
 7UD  CONST_39  O    C    C1   C2    180.00   0.0  0
 7UD  CONST_40  H1   C2   C3   C4    180.00   0.0  0
 7UD  CONST_41  H2   C3   C4   C5    180.00   0.0  0
 7UD  CONST_42  H    C1   C    C5    180.00   0.0  0
 7UD  CONST_43  H21  C20  C16  C15   180.00   0.0  0
 7UD  CONST_44  H20  C18  C17  C15   180.00   0.0  0
 7UD  CONST_45  H18  C16  C15  C17   180.00   0.0  0
 7UD  CONST_46  H25  C26  C27  C21   180.00   0.0  0
 7UD  CONST_47  H23  C24  C23  C21   180.00   0.0  0
 7UD  CONST_48  H29  C30  C28  C22   180.00   0.0  0
 7UD  CONST_49  H28  C29  C22  C28   180.00   0.0  0
 7UD  CONST_50  H19  C17  C18  C19   180.00   0.0  0
 7UD  CONST_51  H27  C28  C22  C19     0.00   0.0  0
 7UD  CONST_52  H24  C25  C26  C27   180.00   0.0  0
 7UD  CONST_53  H22  C23  C21  C27   180.00   0.0  0
 7UD  CONST_54  H26  C27  C26  C25   180.00   0.0  0
 7UD  CONST_55  H3   C4   C3   C2    180.00   0.0  0
 7UD  CONST_56  C15  C14  N    C6    180.00   0.0  0
 7UD  CONST_58  O3   C14  N    C6      0.00   0.0  0
 7UD  CONST_60  H30  O2   C12  C11   180.00   0.0  0
 7UD  Var_01    N    C6   C5   C4   -114.67  30.0  2
 7UD  Var_02    C1   C    O    C7      7.62  30.0  2
 7UD  Var_03    N    C14  C15  C17   -60.33  30.0  2
 7UD  Var_04    C27  C21  C13  N     144.20  30.0  2
 7UD  Var_05    C13  N    C6   C5     77.72  30.0  1
 7UD  Var_06    C21  C13  N    C6    -71.80  30.0  2
 7UD  Var_07    H7   C7   O    C      50.55  30.0  3
 7UD  Var_08    C10  C9   C8   C7    177.68  30.0  2
 7UD  Var_09    C11  C10  C9   C8    179.76  30.0  3
 7UD  Var_10    O1   C12  C11  C10    -0.86  30.0  2
 7UD  Var_11    C9   C8   C7   O     179.08  30.0  3
 7UD  Var_12    C12  C11  C10  C9    179.56  30.0  1

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
 7UD  plan-1  C22  0.020
 7UD  plan-1  C28  0.020
 7UD  plan-1  C19  0.020
 7UD  plan-1  C29  0.020
 7UD  plan-1  O4   0.020
 7UD  plan-1  C30  0.020
 7UD  plan-1  H27  0.020
 7UD  plan-1  H28  0.020
 7UD  plan-1  H29  0.020
 7UD  plan-2  C15  0.020
 7UD  plan-2  C17  0.020
 7UD  plan-2  C20  0.020
 7UD  plan-2  C22  0.020
 7UD  plan-2  C14  0.020
 7UD  plan-2  C18  0.020
 7UD  plan-2  C19  0.020
 7UD  plan-2  C16  0.020
 7UD  plan-2  H19  0.020
 7UD  plan-2  H21  0.020
 7UD  plan-2  H20  0.020
 7UD  plan-2  H18  0.020
 7UD  plan-3  C13  0.020
 7UD  plan-3  C21  0.020
 7UD  plan-3  C24  0.020
 7UD  plan-3  C26  0.020
 7UD  plan-3  C27  0.020
 7UD  plan-3  C25  0.020
 7UD  plan-3  C23  0.020
 7UD  plan-3  H23  0.020
 7UD  plan-3  H25  0.020
 7UD  plan-3  H26  0.020
 7UD  plan-3  H24  0.020
 7UD  plan-3  H22  0.020
 7UD  plan-4  C4   0.020
 7UD  plan-4  C5   0.020
 7UD  plan-4  C6   0.020
 7UD  plan-4  C3   0.020
 7UD  plan-4  C2   0.020
 7UD  plan-4  C1   0.020
 7UD  plan-4  C    0.020
 7UD  plan-4  O    0.020
 7UD  plan-4  H3   0.020
 7UD  plan-4  H2   0.020
 7UD  plan-4  H1   0.020
 7UD  plan-4  H    0.020
 7UD  plan-5  C6   0.020
 7UD  plan-5  C13  0.020
 7UD  plan-5  C15  0.020
 7UD  plan-5  O3   0.020
 7UD  plan-5  C14  0.020
 7UD  plan-5  N    0.020
 7UD  plan-6  C11  0.020
 7UD  plan-6  C12  0.020
 7UD  plan-6  O1   0.020
 7UD  plan-6  O2   0.020
 7UD  plan-6  H30  0.020

