# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Thu Apr  2 22:47:12 2020
#   Inital geometry file: a 173 line input string
#   Ligand name: 3-(5'-{2-[3,4-bis(hydroxymethyl)phenyl]ethyl}-2'-methyl-2-propylbiphenyl-4-yl)pentan-3-ol
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: CCCc1cc(ccc1c2cc(CCc3ccc(CO)c(CO)c3)ccc2C)C(O)(CC)CC
#
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
 484  484  3-(5'-{2-[3,4-bis(hydroxymethyl)phenyl]ethyl}-2'-methyl-2-propylbiphenyl-4-yl)pentan-3-ol  ligand  74  34  .  2021-08-04  2021-08-04  
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as PERFECT
;

data_comp_484
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
 484  C1   C  CR16  0  -0.286  -5.6512   2.0800  -0.7507
 484  C2   C  CR6   0  -0.003  -6.8460   1.3998  -0.5520
 484  C3   C  CR6   0   0.035  -6.8295   0.1956   0.1665
 484  C4   C  CR16  0  -0.366  -5.6255  -0.2891   0.6612
 484  C5   C  CR6   0   0.145  -4.4263   0.3920   0.4640
 484  C6   C  CR16  0  -0.313  -4.4556   1.5823  -0.2498
 484  C48  C  CH2   0  -0.192  -8.1199  -0.5478   0.3862
 484  O49  O  OH1   0  -0.665  -7.9010  -1.7079   1.1433
 484  C52  C  CH2   0  -0.192  -8.1512   1.9321  -1.0795
 484  O53  O  OH1   0  -0.666  -7.9417   3.1115  -1.8097
 484  C10  C  CH2   0  -0.507  -3.1289  -0.1745   0.9678
 484  C27  C  CH2   0  -0.509  -2.4319  -1.0396  -0.0925
 484  C14  C  CR6   0   0.142  -1.1376  -1.6129   0.4108
 484  C17  C  CR16  0  -0.342   0.0617  -0.9266   0.2451
 484  C18  C  CR6   0   0.039   1.2655  -1.4215   0.7357
 484  C19  C  CR6   0   0.049   1.2885  -2.6410   1.4234
 484  C20  C  CR16  0  -0.283   0.0878  -3.3255   1.5905
 484  C21  C  CR16  0  -0.312  -1.1067  -2.8230   1.0947
 484  C8   C  CH3   0  -0.738   2.5711  -3.1984   1.9693
 484  C7   C  CR6   0  -0.013   2.5197  -0.6493   0.5349
 484  C9   C  CR16  0  -0.260   2.9516   0.2302   1.5253
 484  C11  C  CR6   0   0.143   3.2943  -0.8015  -0.6164
 484  C12  C  CR16  0  -0.386   4.4700  -0.0615  -0.7424
 484  C13  C  CR16  0  -0.318   4.1204   0.9581   1.3819
 484  C16  C  CR6   0   0.127   4.9024   0.8246   0.2353
 484  C15  C  CH2   0  -0.519   2.8840  -1.7158  -1.7375
 484  C24  C  CT    0   0.184   6.2053   1.6053   0.0853
 484  C25  C  CH2   0  -0.446   5.9162   3.1111   0.2442
 484  C26  C  CH2   0  -0.427   7.2154   1.1191   1.1338
 484  O2   O  OH1   0  -0.670   6.8011   1.3636  -1.1734
 484  C28  C  CH3   0  -0.662   7.5234  -0.3705   1.0716
 484  C29  C  CH3   0  -0.673   7.1247   4.0224   0.0702
 484  C22  C  CH2   0  -0.416   2.0651  -0.9938  -2.8105
 484  C23  C  CH3   0  -0.667   1.6833  -1.9137  -3.9604
 484  H1   H  HCR6  0   0.250  -5.6431   3.0116  -1.2991
 484  H2   H  HCR6  0   0.243  -5.6112  -1.2172   1.2186
 484  H3   H  HCR6  0   0.240  -3.5365   2.1332  -0.4147
 484  H4   H  HCH2  0   0.215  -8.8373   0.1224   0.8821
 484  H5   H  HCH2  0   0.216  -8.5602  -0.7889  -0.5926
 484  H6   H  HOH1  0   0.463  -8.7474  -2.1477   1.2632
 484  H7   H  HCH2  0   0.212  -8.6304   1.1600  -1.7001
 484  H8   H  HCH2  0   0.217  -8.8350   2.1034  -0.2348
 484  H9   H  HOH1  0   0.463  -8.8001   3.4560  -2.0708
 484  H10  H  HCH2  0   0.247  -2.4588   0.6368   1.2642
 484  H11  H  HCH2  0   0.247  -3.3052  -0.7793   1.8607
 484  H12  H  HCH2  0   0.248  -3.1041  -1.8483  -0.3910
 484  H13  H  HCH2  0   0.246  -2.2517  -0.4349  -0.9848
 484  H14  H  HCR6  0   0.233   0.0622   0.0195  -0.2864
 484  H15  H  HCR6  0   0.243   0.0874  -4.2734   2.1163
 484  H16  H  HCR6  0   0.242  -2.0243  -3.3825   1.2372
 484  H17  H  HCH3  0   0.245   2.9530  -2.5889   2.7906
 484  H18  H  HCH3  0   0.245   2.4305  -4.2103   2.3478
 484  H19  H  HCH3  0   0.243   3.3558  -3.2282   1.2118
 484  H20  H  HCR6  0   0.240   2.3611   0.3409   2.4271
 484  H21  H  HCR6  0   0.232   5.0691  -0.2068  -1.6334
 484  H22  H  HCR6  0   0.241   4.4196   1.6230   2.1831
 484  H23  H  HCH2  0   0.236   3.7782  -2.1411  -2.2024
 484  H24  H  HCH2  0   0.236   2.3031  -2.5585  -1.3529
 484  H25  H  HCH2  0   0.232   5.1443   3.3879  -0.4825
 484  H26  H  HCH2  0   0.228   5.4752   3.2934   1.2265
 484  H27  H  HCH2  0   0.235   8.1433   1.6846   1.0143
 484  H28  H  HCH2  0   0.222   6.8317   1.3730   2.1253
 484  H29  H  HOH1  0   0.446   6.2439   1.7504  -1.8577
 484  H30  H  HCH3  0   0.222   7.9224  -0.6600   0.0997
 484  H31  H  HCH3  0   0.228   8.2676  -0.6344   1.8238
 484  H32  H  HCH3  0   0.223   6.6350  -0.9739   1.2601
 484  H33  H  HCH3  0   0.225   7.8591   3.8827   0.8633
 484  H34  H  HCH3  0   0.221   7.6252   3.8570  -0.8836
 484  H35  H  HCH3  0   0.232   6.8111   5.0662   0.1003
 484  H36  H  HCH2  0   0.224   1.1629  -0.5772  -2.3548
 484  H37  H  HCH2  0   0.221   2.6401  -0.1429  -3.1871
 484  H38  H  HCH3  0   0.230   1.1041  -1.3854  -4.7183
 484  H39  H  HCH3  0   0.218   2.5691  -2.3265  -4.4469
 484  H40  H  HCH3  0   0.219   1.0799  -2.7533  -3.6096

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
 484  C28  C26  single    1.522  0.020  1.522
 484  C29  C25  single    1.524  0.020  1.524
 484  C26  C24  single    1.535  0.020  1.535
 484  C25  C24  single    1.541  0.020  1.541
 484  C24  O2   single    1.413  0.020  1.413
 484  C24  C16  single    1.526  0.020  1.526
 484  C13  C16  aromatic  1.394  0.020  1.394
 484  C13  C9   aromatic  1.384  0.020  1.384
 484  C16  C12  aromatic  1.388  0.020  1.388
 484  C9   C7   aromatic  1.393  0.020  1.393
 484  C12  C11  aromatic  1.395  0.020  1.395
 484  C7   C11  aromatic  1.396  0.020  1.396
 484  C7   C18  single    1.487  0.020  1.487
 484  C11  C15  single    1.504  0.020  1.504
 484  C17  C18  aromatic  1.391  0.020  1.391
 484  C17  C14  aromatic  1.392  0.020  1.392
 484  C18  C19  aromatic  1.400  0.020  1.400
 484  C27  C14  single    1.502  0.020  1.502
 484  C27  C10  single    1.536  0.020  1.536
 484  C15  C22  single    1.531  0.020  1.531
 484  C14  C21  aromatic  1.390  0.020  1.390
 484  C6   C1   aromatic  1.389  0.020  1.389
 484  C6   C5   aromatic  1.388  0.020  1.388
 484  C1   C2   aromatic  1.389  0.020  1.389
 484  O53  C52  single    1.403  0.020  1.403
 484  C5   C4   aromatic  1.393  0.020  1.393
 484  C5   C10  single    1.503  0.020  1.503
 484  C19  C8   single    1.501  0.020  1.501
 484  C19  C20  aromatic  1.392  0.020  1.392
 484  C2   C52  single    1.505  0.020  1.505
 484  C2   C3   aromatic  1.402  0.020  1.402
 484  C4   C3   aromatic  1.389  0.020  1.389
 484  C3   C48  single    1.505  0.020  1.505
 484  C21  C20  aromatic  1.387  0.020  1.387
 484  C22  C23  single    1.521  0.020  1.521
 484  C48  O49  single    1.402  0.020  1.402
 484  C1   H1   single    0.930  0.020  1.080
 484  C4   H2   single    0.930  0.020  1.080
 484  C6   H3   single    0.930  0.020  1.080
 484  C48  H4   single    0.970  0.020  1.090
 484  C48  H5   single    0.970  0.020  1.090
 484  O49  H6   single    0.850  0.020  0.980
 484  C52  H7   single    0.970  0.020  1.090
 484  C52  H8   single    0.970  0.020  1.090
 484  O53  H9   single    0.850  0.020  0.980
 484  C10  H10  single    0.970  0.020  1.090
 484  C10  H11  single    0.970  0.020  1.090
 484  C27  H12  single    0.970  0.020  1.090
 484  C27  H13  single    0.970  0.020  1.090
 484  C17  H14  single    0.930  0.020  1.080
 484  C20  H15  single    0.930  0.020  1.080
 484  C21  H16  single    0.930  0.020  1.080
 484  C8   H17  single    0.970  0.020  1.090
 484  C8   H18  single    0.970  0.020  1.090
 484  C8   H19  single    0.970  0.020  1.090
 484  C9   H20  single    0.930  0.020  1.080
 484  C12  H21  single    0.930  0.020  1.080
 484  C13  H22  single    0.930  0.020  1.080
 484  C15  H23  single    0.970  0.020  1.090
 484  C15  H24  single    0.970  0.020  1.090
 484  C25  H25  single    0.970  0.020  1.090
 484  C25  H26  single    0.970  0.020  1.090
 484  C26  H27  single    0.970  0.020  1.090
 484  C26  H28  single    0.970  0.020  1.090
 484  O2   H29  single    0.850  0.020  0.980
 484  C28  H30  single    0.970  0.020  1.090
 484  C28  H31  single    0.970  0.020  1.090
 484  C28  H32  single    0.970  0.020  1.090
 484  C29  H33  single    0.970  0.020  1.090
 484  C29  H34  single    0.970  0.020  1.090
 484  C29  H35  single    0.970  0.020  1.090
 484  C22  H36  single    0.970  0.020  1.090
 484  C22  H37  single    0.970  0.020  1.090
 484  C23  H38  single    0.970  0.020  1.090
 484  C23  H39  single    0.970  0.020  1.090
 484  C23  H40  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
 484  H1   C1   C6   119.04  3.000
 484  H1   C1   C2   120.06  3.000
 484  C6   C1   C2   120.90  3.000
 484  C52  C2   C3   119.57  3.000
 484  C3   C2   C1   118.92  3.000
 484  C52  C2   C1   121.51  3.000
 484  C48  C3   C4   121.25  3.000
 484  C48  C3   C2   119.25  3.000
 484  C4   C3   C2   119.49  3.000
 484  H2   C4   C5   118.72  3.000
 484  H2   C4   C3   119.60  3.000
 484  C5   C4   C3   121.68  3.000
 484  C10  C5   C6   120.92  3.000
 484  C10  C5   C4   120.76  3.000
 484  C6   C5   C4   118.28  3.000
 484  H3   C6   C5   119.73  3.000
 484  H3   C6   C1   119.54  3.000
 484  C5   C6   C1   120.73  3.000
 484  H5   C48  H4   105.88  3.000
 484  H5   C48  O49  111.20  3.000
 484  H4   C48  O49  111.25  3.000
 484  H5   C48  C3   108.75  3.000
 484  H4   C48  C3   108.91  3.000
 484  O49  C48  C3   110.70  3.000
 484  H6   O49  C48  107.96  3.000
 484  H8   C52  H7   105.76  3.000
 484  H8   C52  O53  111.19  3.000
 484  H7   C52  O53  111.19  3.000
 484  H8   C52  C2   108.96  3.000
 484  H7   C52  C2   109.10  3.000
 484  O53  C52  C2   110.50  3.000
 484  H9   O53  C52  108.02  3.000
 484  H11  C10  H10  106.74  3.000
 484  H11  C10  C27  109.00  3.000
 484  H10  C10  C27  109.09  3.000
 484  H11  C10  C5   110.08  3.000
 484  H10  C10  C5   109.90  3.000
 484  C27  C10  C5   111.89  3.000
 484  H13  C27  H12  106.72  3.000
 484  H13  C27  C14  110.03  3.000
 484  H12  C27  C14  109.81  3.000
 484  H13  C27  C10  109.08  3.000
 484  H12  C27  C10  109.04  3.000
 484  C14  C27  C10  112.01  3.000
 484  C21  C14  C17  117.94  3.000
 484  C21  C14  C27  121.07  3.000
 484  C17  C14  C27  120.96  3.000
 484  H14  C17  C18  118.85  3.000
 484  H14  C17  C14  119.25  3.000
 484  C18  C17  C14  121.90  3.000
 484  C7   C18  C19  120.32  3.000
 484  C19  C18  C17  119.82  3.000
 484  C7   C18  C17  119.85  3.000
 484  C8   C19  C20  120.71  3.000
 484  C20  C19  C18  118.23  3.000
 484  C8   C19  C18  121.06  3.000
 484  H15  C20  C21  119.32  3.000
 484  H15  C20  C19  119.24  3.000
 484  C21  C20  C19  121.43  3.000
 484  H16  C21  C20  119.65  3.000
 484  H16  C21  C14  119.67  3.000
 484  C20  C21  C14  120.67  3.000
 484  H19  C8   H18  107.97  3.000
 484  H19  C8   H17  106.62  3.000
 484  H18  C8   H17  107.60  3.000
 484  H19  C8   C19  111.85  3.000
 484  H18  C8   C19  111.16  3.000
 484  H17  C8   C19  111.42  3.000
 484  C11  C7   C9   118.89  3.000
 484  C11  C7   C18  121.53  3.000
 484  C9   C7   C18  119.57  3.000
 484  H20  C9   C13  119.51  3.000
 484  H20  C9   C7   119.16  3.000
 484  C13  C9   C7   121.33  3.000
 484  C15  C11  C12  119.03  3.000
 484  C15  C11  C7   121.99  3.000
 484  C12  C11  C7   118.97  3.000
 484  H21  C12  C16  119.50  3.000
 484  H21  C12  C11  117.98  3.000
 484  C16  C12  C11  122.51  3.000
 484  H22  C13  C16  120.80  3.000
 484  H22  C13  C9   118.64  3.000
 484  C16  C13  C9   120.56  3.000
 484  C24  C16  C13  120.70  3.000
 484  C13  C16  C12  117.74  3.000
 484  C24  C16  C12  121.54  3.000
 484  H24  C15  H23  106.50  3.000
 484  H24  C15  C22  109.02  3.000
 484  H23  C15  C22  108.83  3.000
 484  H24  C15  C11  110.57  3.000
 484  H23  C15  C11  109.28  3.000
 484  C22  C15  C11  112.45  3.000
 484  O2   C24  C26  106.06  3.000
 484  O2   C24  C25  109.75  3.000
 484  C26  C24  C25  111.25  3.000
 484  O2   C24  C16  111.09  3.000
 484  C25  C24  C16  109.24  3.000
 484  C26  C24  C16  109.43  3.000
 484  H26  C25  H25  105.65  3.000
 484  H26  C25  C29  108.86  3.000
 484  H25  C25  C29  109.39  3.000
 484  H26  C25  C24  109.36  3.000
 484  H25  C25  C24  108.09  3.000
 484  C29  C25  C24  115.07  3.000
 484  H28  C26  H27  106.08  3.000
 484  H28  C26  C28  109.59  3.000
 484  H27  C26  C28  109.27  3.000
 484  H28  C26  C24  108.36  3.000
 484  H27  C26  C24  108.67  3.000
 484  C28  C26  C24  114.53  3.000
 484  H29  O2   C24  108.67  3.000
 484  H32  C28  H31  107.63  3.000
 484  H32  C28  H30  107.79  3.000
 484  H31  C28  H30  107.52  3.000
 484  H32  C28  C26  111.69  3.000
 484  H31  C28  C26  110.28  3.000
 484  H30  C28  C26  111.74  3.000
 484  H35  C29  H34  107.55  3.000
 484  H35  C29  H33  107.24  3.000
 484  H34  C29  H33  107.94  3.000
 484  H35  C29  C25  109.96  3.000
 484  H34  C29  C25  111.93  3.000
 484  H33  C29  C25  112.01  3.000
 484  H37  C22  H36  106.31  3.000
 484  H37  C22  C23  110.01  3.000
 484  H36  C22  C23  109.78  3.000
 484  H37  C22  C15  109.09  3.000
 484  H36  C22  C15  109.20  3.000
 484  C23  C22  C15  112.27  3.000
 484  H40  C23  H39  107.51  3.000
 484  H40  C23  H38  107.60  3.000
 484  H39  C23  H38  107.73  3.000
 484  H40  C23  C22  111.15  3.000
 484  H39  C23  C22  111.21  3.000
 484  H38  C23  C22  111.45  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
 484  CONST_01  C4   C5   C6   C1      0.00   0.0  0
 484  CONST_02  C4   C3   C2   C1      0.00   0.0  0
 484  CONST_03  C5   C6   C1   C2      0.00   0.0  0
 484  CONST_04  C5   C4   C3   C2      0.00   0.0  0
 484  CONST_05  C6   C1   C2   C3      0.00   0.0  0
 484  CONST_06  C6   C5   C4   C3      0.00   0.0  0
 484  CONST_07  C7   C18  C17  C14   180.00   0.0  0
 484  CONST_08  C19  C18  C17  C14     0.00   0.0  0
 484  CONST_09  C19  C20  C21  C14     0.00   0.0  0
 484  CONST_12  C20  C19  C18  C17     0.00   0.0  0
 484  CONST_13  C20  C21  C14  C17     0.00   0.0  0
 484  CONST_14  C13  C9   C7   C18   180.00   0.0  0
 484  CONST_15  C12  C11  C7   C18   180.00   0.0  0
 484  CONST_16  C21  C14  C17  C18     0.00   0.0  0
 484  CONST_17  C21  C20  C19  C18     0.00   0.0  0
 484  CONST_20  C7   C18  C19  C20   180.00   0.0  0
 484  CONST_21  C16  C13  C9   C7      0.00   0.0  0
 484  CONST_22  C16  C12  C11  C7      0.00   0.0  0
 484  CONST_23  C12  C16  C13  C9      0.00   0.0  0
 484  CONST_24  C12  C11  C7   C9      0.00   0.0  0
 484  CONST_25  C13  C16  C12  C11     0.00   0.0  0
 484  CONST_26  C13  C9   C7   C11     0.00   0.0  0
 484  CONST_27  C10  C5   C6   C1    180.00   0.0  0
 484  CONST_28  C48  C3   C2   C1    180.00   0.0  0
 484  CONST_29  C10  C5   C4   C3    180.00   0.0  0
 484  CONST_30  C52  C2   C3   C4    180.00   0.0  0
 484  CONST_31  C48  C3   C4   C5    180.00   0.0  0
 484  CONST_32  C52  C2   C1   C6    180.00   0.0  0
 484  CONST_33  C18  C17  C14  C27   180.00   0.0  0
 484  CONST_34  C20  C21  C14  C27   180.00   0.0  0
 484  CONST_35  C8   C19  C18  C17   180.00   0.0  0
 484  CONST_36  C15  C11  C7   C18     0.00   0.0  0
 484  CONST_37  C8   C19  C20  C21   180.00   0.0  0
 484  CONST_38  C7   C18  C19  C8      0.00   0.0  0
 484  CONST_39  C24  C16  C13  C9    180.00   0.0  0
 484  CONST_40  C15  C11  C7   C9    180.00   0.0  0
 484  CONST_41  C24  C16  C12  C11   180.00   0.0  0
 484  CONST_42  C15  C11  C12  C16   180.00   0.0  0
 484  CONST_43  H3   C6   C1   C2    180.00   0.0  0
 484  CONST_44  H2   C4   C3   C2    180.00   0.0  0
 484  CONST_45  H1   C1   C2   C3    180.00   0.0  0
 484  CONST_46  H15  C20  C21  C14   180.00   0.0  0
 484  CONST_47  H16  C21  C14  C17   180.00   0.0  0
 484  CONST_48  H20  C9   C7   C18     0.00   0.0  0
 484  CONST_49  H14  C17  C18  C19   180.00   0.0  0
 484  CONST_50  H22  C13  C9   C7    180.00   0.0  0
 484  CONST_51  H21  C12  C11  C7    180.00   0.0  0
 484  Var_01    O53  C52  C2   C1      2.84  30.0  2
 484  Var_02    O49  C48  C3   C2   -178.88  30.0  2
 484  Var_03    C27  C10  C5   C4     91.60  30.0  2
 484  Var_04    C14  C27  C10  C5   -179.72  30.0  1
 484  Var_05    C17  C14  C27  C10   -90.20  30.0  2
 484  Var_06    C22  C15  C11  C7     92.02  30.0  2
 484  Var_07    C26  C24  C16  C12  -112.67  30.0  2
 484  Var_08    H17  C8   C19  C18    67.94  30.0  2
 484  Var_09    C23  C22  C15  C11   178.50  30.0  3
 484  Var_10    C28  C26  C24  C16    57.43  30.0  3
 484  Var_11    C29  C25  C24  C16  -178.00  30.0  1
 484  Var_12    H38  C23  C22  C15  -179.79  30.0  3
 484  Var_13    H30  C28  C26  C24    58.79  30.0  3
 484  Var_14    H33  C29  C25  C24   -66.47  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
 484  plan-1  C1   0.020
 484  plan-1  C2   0.020
 484  plan-1  C3   0.020
 484  plan-1  C4   0.020
 484  plan-1  C5   0.020
 484  plan-1  C6   0.020
 484  plan-1  C48  0.020
 484  plan-1  C52  0.020
 484  plan-1  C10  0.020
 484  plan-1  H1   0.020
 484  plan-1  H2   0.020
 484  plan-1  H3   0.020
 484  plan-2  C27  0.020
 484  plan-2  C14  0.020
 484  plan-2  C17  0.020
 484  plan-2  C18  0.020
 484  plan-2  C19  0.020
 484  plan-2  C20  0.020
 484  plan-2  C21  0.020
 484  plan-2  C8   0.020
 484  plan-2  C7   0.020
 484  plan-2  H14  0.020
 484  plan-2  H15  0.020
 484  plan-2  H16  0.020
 484  plan-3  C18  0.020
 484  plan-3  C7   0.020
 484  plan-3  C9   0.020
 484  plan-3  C11  0.020
 484  plan-3  C12  0.020
 484  plan-3  C13  0.020
 484  plan-3  C16  0.020
 484  plan-3  C15  0.020
 484  plan-3  C24  0.020
 484  plan-3  H20  0.020
 484  plan-3  H21  0.020
 484  plan-3  H22  0.020

