# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Sat Apr  4 17:32:18 2020
#   Inital geometry file: a 158 line input string
#   Ligand name: (5R,7S)-8-benzyl-4-(cyclohexylamino)-1-(3-fluorophenyl)-7-methyl-1,3,8-triazaspiro[4.5]dec-3-en-2-one
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: C[C@H]1C[C@@]2(CCN1Cc3ccccc3)N(C(=O)N=C2NC4CCCCC4)c5cccc(F)c5
#
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
 4QF  4QF  (5R,7S)-8-benzyl-4-(cyclohexylamino)-1-(3-fluorophenyl)-7-methyl-1,3,8-triazaspiro[4.5]dec-3-en-2-one  ligand  66  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_4QF
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
 4QF  C1   C  CH2   0  -0.414  -0.1470   0.5204   1.0397
 4QF  C2   C  CH2   0  -0.295  -1.6076   0.6748   0.6576
 4QF  C4   C  CH1   0  -0.061  -1.2152   0.0350  -1.6223
 4QF  C5   C  CH2   0  -0.411   0.2799  -0.1250  -1.3358
 4QF  C6   C  CR5   0  -0.012   0.6252  -0.4377   0.1246
 4QF  C7   C  CR5   0   0.545   2.1224  -0.3194   0.3701
 4QF  C9   C  CR5   0   0.570   1.7081  -2.3853   0.8178
 4QF  C12  C  CR6   0   0.328  -0.6521  -2.6613   0.3382
 4QF  C13  C  CR16  0  -0.274  -1.5796  -2.7484   1.3685
 4QF  C14  C  CR16  0  -0.249  -2.6968  -3.5594   1.2269
 4QF  C15  C  CR16  0  -0.404  -2.8924  -4.3008   0.0707
 4QF  C16  C  CR6   0   0.530  -1.9441  -4.2121  -0.9302
 4QF  C17  C  CR16  0  -0.427  -0.8256  -3.4108  -0.8209
 4QF  C20  C  CH1   0  -0.060   4.1889   0.9965   0.3859
 4QF  C21  C  CH2   0  -0.452   4.4908   2.4498   0.7335
 4QF  C22  C  CH2   0  -0.439   5.9888   2.6648   0.9247
 4QF  N3   N  NT    0  -0.418  -1.7666   1.0568  -0.7351
 4QF  N8   N  N     0  -0.535   2.6926  -1.4186   0.7618
 4QF  N10  N  NR5   0  -0.631   0.4909  -1.8457   0.4741
 4QF  O11  O  O     0  -0.495   1.8814  -3.5495   1.1225
 4QF  F18  F  F     0  -0.314  -2.1144  -4.9297  -2.0515
 4QF  N19  N  NH1   0  -0.648   2.7545   0.8281   0.2059
 4QF  C23  C  CH2   0  -0.431   6.7789   2.2162  -0.3004
 4QF  C24  C  CH2   0  -0.441   6.4641   0.7665  -0.6533
 4QF  C25  C  CH2   0  -0.431   4.9667   0.5548  -0.8524
 4QF  C26  C  CH2   0  -0.329  -3.1580   1.3699  -1.0062
 4QF  C27  C  CR6   0   0.084  -3.6189   2.6002  -0.2674
 4QF  C28  C  CR16  0  -0.314  -4.7995   2.5970   0.4668
 4QF  C29  C  CR16  0  -0.242  -5.2362   3.7454   1.1180
 4QF  C30  C  CR16  0  -0.271  -4.4890   4.9121   1.0454
 4QF  C31  C  CR16  0  -0.243  -3.3051   4.9241   0.3152
 4QF  C32  C  CR16  0  -0.279  -2.8746   3.7770  -0.3345
 4QF  C33  C  CH3   0  -0.697  -1.3710   0.3888  -3.0966
 4QF  H1   H  HCH2  0   0.240   0.3188   1.5071   0.9776
 4QF  H2   H  HCH2  0   0.259  -0.0595   0.1958   2.0783
 4QF  H3   H  HCH2  0   0.210  -2.1725  -0.2402   0.8899
 4QF  H4   H  HCH2  0   0.257  -2.0295   1.4587   1.2885
 4QF  H5   H  HCH1  0   0.211  -1.7176  -0.9311  -1.4525
 4QF  H6   H  HCH2  0   0.257   0.6989  -0.8992  -1.9819
 4QF  H7   H  HCH2  0   0.243   0.7654   0.8152  -1.6143
 4QF  H8   H  HCR6  0   0.272  -1.4280  -2.1814   2.2774
 4QF  H9   H  HCR6  0   0.274  -3.4212  -3.6214   2.0272
 4QF  H10  H  HCR6  0   0.284  -3.7588  -4.9380  -0.0475
 4QF  H11  H  HCR6  0   0.286  -0.1030  -3.3642  -1.6256
 4QF  H12  H  HCH1  0   0.245   4.4828   0.3647   1.2294
 4QF  H14  H  HCH2  0   0.246   3.9443   2.7375   1.6350
 4QF  H15  H  HCH2  0   0.236   6.1826   3.7175   1.1407
 4QF  H16  H  HCH2  0   0.217   6.3265   2.1006   1.8004
 4QF  H18  H  HNH1  0   0.408   2.2409   1.6126  -0.1667
 4QF  H19  H  HCH2  0   0.212   6.5290   2.8610  -1.1497
 4QF  H20  H  HCH2  0   0.232   7.8498   2.3388  -0.1220
 4QF  H21  H  HCH2  0   0.234   7.0042   0.4651  -1.5535
 4QF  H22  H  HCH2  0   0.216   6.8158   0.1136   0.1531
 4QF  H23  H  HCH2  0   0.242   4.7542  -0.4949  -1.0664
 4QF  H24  H  HCH2  0   0.217   4.6199   1.1352  -1.7144
 4QF  H25  H  HCH2  0   0.264  -3.2793   1.5600  -2.0732
 4QF  H26  H  HCH2  0   0.211  -3.8276   0.5257  -0.7677
 4QF  H27  H  HCR6  0   0.247  -5.3836   1.6863   0.5335
 4QF  H28  H  HCR6  0   0.253  -6.1568   3.7236   1.6876
 4QF  H29  H  HCR6  0   0.253  -4.8233   5.8067   1.5550
 4QF  H30  H  HCR6  0   0.252  -2.7167   5.8308   0.2519
 4QF  H31  H  HCR6  0   0.244  -1.9477   3.7862  -0.8954
 4QF  H32  H  HCH3  0   0.229  -1.0227   1.4055  -3.2881
 4QF  H33  H  HCH3  0   0.241  -0.7721  -0.2921  -3.7023
 4QF  H34  H  HCH3  0   0.243  -2.3984   0.3037  -3.4474
 4QF  H13  H  HCH2  0   0.223   4.1328   3.0948  -0.0774

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
 4QF  F18  C16  single    1.342  0.020  1.342
 4QF  O11  C9   double    1.216  0.020  1.216
 4QF  C16  C15  aromatic  1.382  0.020  1.382
 4QF  C16  C17  aromatic  1.380  0.020  1.380
 4QF  C15  C14  aromatic  1.387  0.020  1.387
 4QF  C17  C12  aromatic  1.391  0.020  1.391
 4QF  C9   N8   single    1.381  0.020  1.381
 4QF  C9   N10  single    1.375  0.020  1.375
 4QF  C14  C13  aromatic  1.388  0.020  1.388
 4QF  C12  C13  aromatic  1.389  0.020  1.389
 4QF  C12  N10  single    1.411  0.020  1.411
 4QF  N8   C7   double    1.299  0.020  1.299
 4QF  N10  C6   single    1.457  0.020  1.457
 4QF  C7   C6   single    1.522  0.020  1.522
 4QF  C7   N19  single    1.320  0.020  1.320
 4QF  C24  C25  single    1.525  0.020  1.525
 4QF  C24  C23  single    1.525  0.020  1.525
 4QF  C25  C20  single    1.528  0.020  1.528
 4QF  C29  C30  aromatic  1.387  0.020  1.387
 4QF  C29  C28  aromatic  1.391  0.020  1.391
 4QF  C6   C5   single    1.533  0.020  1.533
 4QF  C6   C1   single    1.533  0.020  1.533
 4QF  C30  C31  aromatic  1.391  0.020  1.391
 4QF  C5   C4   single    1.531  0.020  1.531
 4QF  C20  N19  single    1.455  0.020  1.455
 4QF  C20  C21  single    1.524  0.020  1.524
 4QF  C28  C27  aromatic  1.390  0.020  1.390
 4QF  C4   C33  single    1.524  0.020  1.524
 4QF  C4   N3   single    1.461  0.020  1.461
 4QF  C23  C22  single    1.525  0.020  1.525
 4QF  C31  C32  aromatic  1.387  0.020  1.387
 4QF  C1   C2   single    1.518  0.020  1.518
 4QF  C22  C21  single    1.525  0.020  1.525
 4QF  C2   N3   single    1.453  0.020  1.453
 4QF  C27  C32  aromatic  1.394  0.020  1.394
 4QF  C27  C26  single    1.507  0.020  1.507
 4QF  N3   C26  single    1.452  0.020  1.452
 4QF  C1   H1   single    0.970  0.020  1.090
 4QF  C1   H2   single    0.970  0.020  1.090
 4QF  C2   H3   single    0.970  0.020  1.090
 4QF  C2   H4   single    0.970  0.020  1.090
 4QF  C4   H5   single    0.970  0.020  1.090
 4QF  C5   H6   single    0.970  0.020  1.090
 4QF  C5   H7   single    0.970  0.020  1.090
 4QF  C13  H8   single    0.930  0.020  1.080
 4QF  C14  H9   single    0.930  0.020  1.080
 4QF  C15  H10  single    0.930  0.020  1.080
 4QF  C17  H11  single    0.930  0.020  1.080
 4QF  C20  H12  single    0.970  0.020  1.090
 4QF  C21  H13  single    0.970  0.020  1.090
 4QF  C21  H14  single    0.970  0.020  1.090
 4QF  C22  H15  single    0.970  0.020  1.090
 4QF  C22  H16  single    0.970  0.020  1.090
 4QF  N19  H18  single    0.860  0.020  1.020
 4QF  C23  H19  single    0.970  0.020  1.090
 4QF  C23  H20  single    0.970  0.020  1.090
 4QF  C24  H21  single    0.970  0.020  1.090
 4QF  C24  H22  single    0.970  0.020  1.090
 4QF  C25  H23  single    0.970  0.020  1.090
 4QF  C25  H24  single    0.970  0.020  1.090
 4QF  C26  H25  single    0.970  0.020  1.090
 4QF  C26  H26  single    0.970  0.020  1.090
 4QF  C28  H27  single    0.930  0.020  1.080
 4QF  C29  H28  single    0.930  0.020  1.080
 4QF  C30  H29  single    0.930  0.020  1.080
 4QF  C31  H30  single    0.930  0.020  1.080
 4QF  C32  H31  single    0.930  0.020  1.080
 4QF  C33  H32  single    0.970  0.020  1.090
 4QF  C33  H33  single    0.970  0.020  1.090
 4QF  C33  H34  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
 4QF  H2   C1   H1   106.76  3.000
 4QF  H2   C1   C6   109.98  3.000
 4QF  H1   C1   C6   108.40  3.000
 4QF  H2   C1   C2   110.29  3.000
 4QF  H1   C1   C2   107.70  3.000
 4QF  C6   C1   C2   113.45  3.000
 4QF  H4   C2   H3   106.08  3.000
 4QF  H4   C2   N3   108.85  3.000
 4QF  H3   C2   N3   111.40  3.000
 4QF  H4   C2   C1   107.43  3.000
 4QF  H3   C2   C1   110.88  3.000
 4QF  N3   C2   C1   111.92  3.000
 4QF  H5   C4   C33  107.81  3.000
 4QF  H5   C4   N3   110.33  3.000
 4QF  C33  C4   N3   112.73  3.000
 4QF  H5   C4   C5   108.95  3.000
 4QF  N3   C4   C5   109.15  3.000
 4QF  C33  C4   C5   107.77  3.000
 4QF  H7   C5   H6   106.76  3.000
 4QF  H7   C5   C6   108.54  3.000
 4QF  H6   C5   C6   109.43  3.000
 4QF  H7   C5   C4   107.21  3.000
 4QF  H6   C5   C4   109.76  3.000
 4QF  C6   C5   C4   114.81  3.000
 4QF  N10  C6   C7    97.30  3.000
 4QF  C7   C6   C5   111.06  3.000
 4QF  N10  C6   C5   113.89  3.000
 4QF  C5   C6   C1   109.13  3.000
 4QF  C7   C6   C1   110.52  3.000
 4QF  N10  C6   C1   114.47  3.000
 4QF  N19  C7   N8   124.25  3.000
 4QF  N19  C7   C6   121.23  3.000
 4QF  N8   C7   C6   114.51  3.000
 4QF  O11  C9   N10  124.37  3.000
 4QF  N10  C9   N8   110.26  3.000
 4QF  O11  C9   N8   125.37  3.000
 4QF  N10  C12  C17  119.52  3.000
 4QF  N10  C12  C13  120.39  3.000
 4QF  C17  C12  C13  120.06  3.000
 4QF  H8   C13  C14  120.32  3.000
 4QF  H8   C13  C12  119.78  3.000
 4QF  C14  C13  C12  119.90  3.000
 4QF  H9   C14  C15  119.45  3.000
 4QF  H9   C14  C13  119.82  3.000
 4QF  C15  C14  C13  120.72  3.000
 4QF  H10  C15  C16  120.55  3.000
 4QF  H10  C15  C14  121.24  3.000
 4QF  C16  C15  C14  118.21  3.000
 4QF  F18  C16  C17  118.65  3.000
 4QF  C17  C16  C15  122.42  3.000
 4QF  F18  C16  C15  118.94  3.000
 4QF  H11  C17  C16  120.47  3.000
 4QF  H11  C17  C12  120.86  3.000
 4QF  C16  C17  C12  118.67  3.000
 4QF  H12  C20  C25  108.73  3.000
 4QF  H12  C20  N19  107.05  3.000
 4QF  C25  C20  N19  111.60  3.000
 4QF  H12  C20  C21  108.76  3.000
 4QF  N19  C20  C21  109.49  3.000
 4QF  C25  C20  C21  111.08  3.000
 4QF  H14  C21  H13  106.98  3.000
 4QF  H14  C21  C22  110.52  3.000
 4QF  H13  C21  C22  109.30  3.000
 4QF  H14  C21  C20  109.89  3.000
 4QF  H13  C21  C20  109.12  3.000
 4QF  C22  C21  C20  110.94  3.000
 4QF  H16  C22  H15  106.49  3.000
 4QF  H16  C22  C23  109.33  3.000
 4QF  H15  C22  C23  110.52  3.000
 4QF  H16  C22  C21  109.29  3.000
 4QF  H15  C22  C21  109.57  3.000
 4QF  C23  C22  C21  111.51  3.000
 4QF  C26  N3   C4   113.53  3.000
 4QF  C26  N3   C2   109.91  3.000
 4QF  C4   N3   C2   110.91  3.000
 4QF  C9   N8   C7   106.96  3.000
 4QF  C12  N10  C9   120.96  3.000
 4QF  C12  N10  C6   127.61  3.000
 4QF  C9   N10  C6   110.95  3.000
 4QF  H18  N19  C20  117.21  3.000
 4QF  H18  N19  C7   118.56  3.000
 4QF  C20  N19  C7   123.85  3.000
 4QF  H20  C23  H19  106.51  3.000
 4QF  H20  C23  C24  110.29  3.000
 4QF  H19  C23  C24  109.46  3.000
 4QF  H20  C23  C22  110.09  3.000
 4QF  H19  C23  C22  109.36  3.000
 4QF  C24  C23  C22  111.01  3.000
 4QF  H22  C24  H21  106.46  3.000
 4QF  H22  C24  C25  109.18  3.000
 4QF  H21  C24  C25  109.85  3.000
 4QF  H22  C24  C23  109.27  3.000
 4QF  H21  C24  C23  110.55  3.000
 4QF  C25  C24  C23  111.40  3.000
 4QF  H24  C25  H23  107.06  3.000
 4QF  H24  C25  C24  109.87  3.000
 4QF  H23  C25  C24  110.49  3.000
 4QF  H24  C25  C20  108.87  3.000
 4QF  H23  C25  C20  109.73  3.000
 4QF  C24  C25  C20  110.73  3.000
 4QF  H26  C26  H25  106.10  3.000
 4QF  H26  C26  C27  109.45  3.000
 4QF  H25  C26  C27  107.66  3.000
 4QF  H26  C26  N3   112.10  3.000
 4QF  H25  C26  N3   109.08  3.000
 4QF  C27  C26  N3   112.18  3.000
 4QF  C32  C27  C28  118.73  3.000
 4QF  C32  C27  C26  120.15  3.000
 4QF  C28  C27  C26  121.11  3.000
 4QF  H27  C28  C29  119.71  3.000
 4QF  H27  C28  C27  119.48  3.000
 4QF  C29  C28  C27  120.81  3.000
 4QF  H28  C29  C30  120.15  3.000
 4QF  H28  C29  C28  119.79  3.000
 4QF  C30  C29  C28  120.05  3.000
 4QF  H29  C30  C31  120.19  3.000
 4QF  H29  C30  C29  120.27  3.000
 4QF  C31  C30  C29  119.55  3.000
 4QF  H30  C31  C32  119.77  3.000
 4QF  H30  C31  C30  120.03  3.000
 4QF  C32  C31  C30  120.20  3.000
 4QF  H31  C32  C31  120.07  3.000
 4QF  H31  C32  C27  119.26  3.000
 4QF  C31  C32  C27  120.66  3.000
 4QF  H34  C33  H33  106.88  3.000
 4QF  H34  C33  H32  108.49  3.000
 4QF  H33  C33  H32  107.99  3.000
 4QF  H34  C33  C4   112.95  3.000
 4QF  H33  C33  C4   109.65  3.000
 4QF  H32  C33  C4   110.69  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
 4QF  CONST_01  C15  C16  C17  C12     0.00   0.0  0
 4QF  CONST_02  C15  C14  C13  C12     0.00   0.0  0
 4QF  CONST_03  C16  C15  C14  C13     0.00   0.0  0
 4QF  CONST_04  C16  C17  C12  C13     0.00   0.0  0
 4QF  CONST_05  C17  C16  C15  C14     0.00   0.0  0
 4QF  CONST_06  C17  C12  C13  C14     0.00   0.0  0
 4QF  CONST_07  C30  C29  C28  C27     0.00   0.0  0
 4QF  CONST_08  C30  C31  C32  C27     0.00   0.0  0
 4QF  CONST_09  C31  C30  C29  C28     0.00   0.0  0
 4QF  CONST_10  C31  C32  C27  C28     0.00   0.0  0
 4QF  CONST_11  C32  C31  C30  C29     0.00   0.0  0
 4QF  CONST_12  C32  C27  C28  C29     0.00   0.0  0
 4QF  CONST_13  N10  C12  C13  C14   180.00   0.0  0
 4QF  CONST_14  N10  C12  C17  C16   180.00   0.0  0
 4QF  CONST_15  N8   C9   N10  C6      0.00   0.0  0
 4QF  CONST_16  C9   N8   C7   C6      0.00   0.0  0
 4QF  CONST_17  N10  C9   N8   C7      0.00   0.0  0
 4QF  CONST_18  N8   C9   N10  C12   180.00   0.0  0
 4QF  CONST_19  F18  C16  C17  C12   180.00   0.0  0
 4QF  CONST_20  F18  C16  C15  C14   180.00   0.0  0
 4QF  CONST_21  C29  C28  C27  C26   180.00   0.0  0
 4QF  CONST_22  C31  C32  C27  C26   180.00   0.0  0
 4QF  CONST_23  O11  C9   N10  C6    180.00   0.0  0
 4QF  CONST_24  C20  N19  C7   C6    180.00   0.0  0
 4QF  CONST_25  O11  C9   N8   C7    180.00   0.0  0
 4QF  CONST_26  N19  C7   N8   C9    180.00   0.0  0
 4QF  CONST_27  O11  C9   N10  C12     0.00   0.0  0
 4QF  CONST_28  N8   C7   N19  C20     0.00   0.0  0
 4QF  CONST_29  H9   C14  C13  C12   180.00   0.0  0
 4QF  CONST_30  H10  C15  C14  C13   180.00   0.0  0
 4QF  CONST_31  H11  C17  C12  C13   180.00   0.0  0
 4QF  CONST_32  H8   C13  C14  C15   180.00   0.0  0
 4QF  CONST_33  H28  C29  C28  C27   180.00   0.0  0
 4QF  CONST_34  H30  C31  C32  C27   180.00   0.0  0
 4QF  CONST_35  H29  C30  C29  C28   180.00   0.0  0
 4QF  CONST_36  H31  C32  C27  C28   180.00   0.0  0
 4QF  CONST_37  H27  C28  C29  C30   180.00   0.0  0
 4QF  CONST_38  H18  N19  C7   C6      0.00   0.0  0
 4QF  Var_01    C4   N3   C2   C1     61.41  30.0  1
 4QF  Var_02    C17  C12  N10  C6     92.63  30.0  2
 4QF  Var_03    N3   C2   C1   C6    -53.92  30.0  1
 4QF  Var_04    C23  C24  C25  C20   -56.04  30.0  1
 4QF  Var_05    C23  C22  C21  C20    55.51  30.0  1
 4QF  Var_06    C24  C23  C22  C21   -55.07  30.0  1
 4QF  Var_07    C25  C24  C23  C22    55.39  30.0  1
 4QF  Var_08    C27  C26  N3   C2     66.27  30.0  3
 4QF  Var_09    C28  C27  C26  N3   -130.96  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
 4QF  chir_01  C4   C5   C33  N3   positiv
 4QF  chir_02  C6   C7   C5   C1   positiv
 4QF  chir_03  C20  N19  C25  C21  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
 4QF  plan-1  C12  0.020
 4QF  plan-1  C13  0.020
 4QF  plan-1  C14  0.020
 4QF  plan-1  C15  0.020
 4QF  plan-1  C16  0.020
 4QF  plan-1  C17  0.020
 4QF  plan-1  N10  0.020
 4QF  plan-1  F18  0.020
 4QF  plan-1  H8   0.020
 4QF  plan-1  H9   0.020
 4QF  plan-1  H10  0.020
 4QF  plan-1  H11  0.020
 4QF  plan-2  C6   0.020
 4QF  plan-2  C7   0.020
 4QF  plan-2  C9   0.020
 4QF  plan-2  C12  0.020
 4QF  plan-2  C20  0.020
 4QF  plan-2  N8   0.020
 4QF  plan-2  N10  0.020
 4QF  plan-2  O11  0.020
 4QF  plan-2  N19  0.020
 4QF  plan-2  H18  0.020
 4QF  plan-3  C26  0.020
 4QF  plan-3  C27  0.020
 4QF  plan-3  C28  0.020
 4QF  plan-3  C29  0.020
 4QF  plan-3  C30  0.020
 4QF  plan-3  C31  0.020
 4QF  plan-3  C32  0.020
 4QF  plan-3  H27  0.020
 4QF  plan-3  H28  0.020
 4QF  plan-3  H29  0.020
 4QF  plan-3  H30  0.020
 4QF  plan-3  H31  0.020

