# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Mon Aug  2 11:45:10 2021
#   Inital geometry file: a 163 line input string
#   Ligand name: 1-(4-{(3S,4S)-4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-methyl-3-phenylpyrrolidine-1-carbonyl}piperidin-1-yl)ethan-1-one
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: CC(=O)N1CCC(CC1)C(=O)N2C[C@@H](c3ccc(cc3)C(O)(C(F)(F)F)C(F)(F)F)[C@](C)(C2)c4ccccc4
#
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
 V27  V27  1-(4-{(3S,4S)-4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-methyl-3-phenylpyrrolidine-1-carbonyl}piperidin-1-yl)ethan-1-one  ligand  69  39  .  2022-03-29  2022-03-29
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as GRAND
;

data_comp_V27
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
 V27  O10  O  OH1   0  -0.647  -31.0249  -21.3360  31.2430
 V27  C2   C  CT    0   1.033  -31.0905  -19.7771  29.5349
 V27  C5   C  CT    0  -0.201  -30.7758  -19.9848  31.0319
 V27  C6   C  CT    0   1.027  -31.7546  -19.1942  31.9433
 V27  C12  C  CR6   0   0.017  -29.3220  -19.5959  31.2863
 V27  C13  C  CR16  0  -0.269  -28.9019  -18.2755  31.4311
 V27  C15  C  CR16  0  -0.296  -27.5654  -17.9875  31.6523
 V27  C17  C  CR16  0  -0.272  -28.3613  -20.6016  31.3355
 V27  C19  C  CR16  0  -0.290  -27.0284  -20.3045  31.5686
 V27  C21  C  CR6   0   0.176  -26.6048  -18.9911  31.7420
 V27  C22  C  CH1   0  -0.356  -25.1886  -18.6230  32.0695
 V27  C24  C  CT    0  -0.176  -24.8071  -18.6735  33.5828
 V27  C25  C  CH3   0  -0.659  -25.3918  -17.4951  34.3567
 V27  F1   F  F     0  -0.291  -30.9051  -18.5130  29.1574
 V27  F3   F  F     0  -0.295  -32.3449  -20.1090  29.2298
 V27  F4   F  F     0  -0.291  -30.2862  -20.5398  28.7983
 V27  F7   F  F     0  -0.296  -31.3423  -19.2814  33.2101
 V27  F8   F  F     0  -0.296  -31.8523  -17.8985  31.6380
 V27  F9   F  F     0  -0.290  -32.9844  -19.6982  31.8909
 V27  C29  C  CR6   0   0.176  -25.2187  -20.0030  34.2024
 V27  C30  C  CR16  0  -0.283  -26.5304  -20.1896  34.6455
 V27  C32  C  CR16  0  -0.238  -26.9466  -21.3954  35.1886
 V27  C34  C  CR16  0  -0.273  -26.0598  -22.4573  35.3007
 V27  C36  C  CR16  0  -0.241  -24.7553  -22.2938  34.8614
 V27  C38  C  CR16  0  -0.315  -24.3434  -21.0827  34.3188
 V27  C40  C  CH2   0  -0.289  -23.2863  -18.5202  33.4711
 V27  N43  N  NT    0  -0.471  -22.9324  -19.2067  32.2355
 V27  C44  C  CH2   0  -0.236  -24.0997  -19.4555  31.4022
 V27  C47  C  C     0   0.580  -21.7023  -19.5637  31.8258
 V27  O48  O  O     0  -0.502  -21.5347  -20.1643  30.7700
 V27  C49  C  CH1   0  -0.418  -20.5284  -19.1460  32.6911
 V27  C51  C  CH2   0  -0.408  -19.3706  -20.1353  32.6005
 V27  C54  C  CH2   0  -0.316  -18.1776  -19.6327  33.4027
 V27  N57  N  NT    0  -0.436  -17.7796  -18.3073  32.9618
 V27  C58  C  C     0   0.516  -16.5592  -18.0846  32.4253
 V27  C59  C  CH3   0  -0.808  -16.2485  -16.6796  31.9606
 V27  O63  O  O     0  -0.510  -15.7221  -18.9738  32.3204
 V27  C64  C  CH2   0  -0.312  -18.8377  -17.3215  33.0676
 V27  C67  C  CH2   0  -0.420  -20.0611  -17.7467  32.2659
 V27  H1   H  HOH1  0   0.476  -30.6370  -21.6250  32.0783
 V27  H2   H  HCR6  0   0.263  -29.5903  -17.4460  31.3750
 V27  H3   H  HCR6  0   0.259  -27.2671  -16.9519  31.7612
 V27  H4   H  HCR6  0   0.267  -28.6310  -21.6391  31.1935
 V27  H5   H  HCR6  0   0.256  -26.3232  -21.1232  31.6165
 V27  H6   H  HCH1  0   0.274  -25.0403  -17.5820  31.7608
 V27  H7   H  HCH3  0   0.246  -25.0965  -17.5322  35.4061
 V27  H8   H  HCH3  0   0.240  -25.0374  -16.5524  33.9375
 V27  H9   H  HCH3  0   0.244  -26.4800  -17.4743  34.3221
 V27  H10  H  HCR6  0   0.248  -27.2535  -19.3898  34.5603
 V27  H11  H  HCR6  0   0.251  -27.9712  -21.5049  35.5206
 V27  H12  H  HCR6  0   0.253  -26.3829  -23.3994  35.7244
 V27  H13  H  HCR6  0   0.253  -24.0468  -23.1085  34.9389
 V27  H14  H  HCR6  0   0.248  -23.3173  -21.0025  33.9862
 V27  H15  H  HCH2  0   0.270  -22.7697  -18.9320  34.3383
 V27  H16  H  HCH2  0   0.264  -23.0248  -17.4592  33.4133
 V27  H17  H  HCH2  0   0.243  -24.3340  -20.5228  31.3862
 V27  H18  H  HCH2  0   0.267  -23.9286  -19.1422  30.3720
 V27  H19  H  HCH1  0   0.260  -20.8340  -19.0861  33.7406
 V27  H20  H  HCH2  0   0.246  -19.6724  -21.1110  32.9880
 V27  H21  H  HCH2  0   0.234  -19.0726  -20.2779  31.5600
 V27  H22  H  HCH2  0   0.266  -17.3366  -20.3127  33.3044
 V27  H23  H  HCH2  0   0.238  -18.4373  -19.5841  34.4660
 V27  H24  H  HCH3  0   0.268  -15.2209  -16.6453  31.6083
 V27  H25  H  HCH3  0   0.264  -16.8992  -16.3704  31.1412
 V27  H26  H  HCH3  0   0.265  -16.3625  -15.9486  32.7611
 V27  H27  H  HCH2  0   0.278  -18.4947  -16.3479  32.7304
 V27  H28  H  HCH2  0   0.244  -19.1124  -17.2105  34.1224
 V27  H29  H  HCH2  0   0.253  -20.8524  -17.0078  32.4143
 V27  H30  H  HCH2  0   0.241  -19.8151  -17.7478  31.2001

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
 V27  F4   C2   single    1.331  0.020  1.331
 V27  F3   C2   single    1.333  0.020  1.333
 V27  C2   F1   single    1.332  0.020  1.332
 V27  C2   C5   single    1.544  0.020  1.544
 V27  O10  C5   single    1.390  0.020  1.390
 V27  C5   C12  single    1.526  0.020  1.526
 V27  C5   C6   single    1.554  0.020  1.554
 V27  C59  C58  single    1.512  0.020  1.512
 V27  C17  C12  aromatic  1.392  0.020  1.392
 V27  C17  C19  aromatic  1.385  0.020  1.385
 V27  F9   C6   single    1.330  0.020  1.330
 V27  C12  C13  aromatic  1.393  0.020  1.393
 V27  C19  C21  aromatic  1.391  0.020  1.391
 V27  C6   F8   single    1.335  0.020  1.335
 V27  C6   F7   single    1.335  0.020  1.335
 V27  C58  O63  double    1.226  0.020  1.226
 V27  C58  N57  single    1.352  0.020  1.352
 V27  O48  C47  double    1.226  0.020  1.226
 V27  C67  C64  single    1.523  0.020  1.523
 V27  C67  C49  single    1.535  0.020  1.535
 V27  C13  C15  aromatic  1.385  0.020  1.385
 V27  C44  C22  single    1.525  0.020  1.525
 V27  C44  N43  single    1.456  0.020  1.456
 V27  C64  N57  single    1.450  0.020  1.450
 V27  C21  C15  aromatic  1.392  0.020  1.392
 V27  C21  C22  single    1.499  0.020  1.499
 V27  N57  C54  single    1.452  0.020  1.452
 V27  C47  N43  single    1.345  0.020  1.345
 V27  C47  C49  single    1.517  0.020  1.517
 V27  C22  C24  single    1.561  0.020  1.561
 V27  N43  C40  single    1.457  0.020  1.457
 V27  C49  C51  single    1.526  0.020  1.526
 V27  C51  C54  single    1.523  0.020  1.523
 V27  C24  C40  single    1.533  0.020  1.533
 V27  C24  C29  single    1.523  0.020  1.523
 V27  C24  C25  single    1.526  0.020  1.526
 V27  C38  C29  aromatic  1.395  0.020  1.395
 V27  C38  C36  aromatic  1.390  0.020  1.390
 V27  C29  C30  aromatic  1.397  0.020  1.397
 V27  C36  C34  aromatic  1.386  0.020  1.386
 V27  C30  C32  aromatic  1.386  0.020  1.386
 V27  C34  C32  aromatic  1.388  0.020  1.388
 V27  O10  H1   single    0.850  0.020  0.980
 V27  C13  H2   single    0.930  0.020  1.080
 V27  C15  H3   single    0.930  0.020  1.080
 V27  C17  H4   single    0.930  0.020  1.080
 V27  C19  H5   single    0.930  0.020  1.080
 V27  C22  H6   single    0.970  0.020  1.090
 V27  C25  H7   single    0.970  0.020  1.090
 V27  C25  H8   single    0.970  0.020  1.090
 V27  C25  H9   single    0.970  0.020  1.090
 V27  C30  H10  single    0.930  0.020  1.080
 V27  C32  H11  single    0.930  0.020  1.080
 V27  C34  H12  single    0.930  0.020  1.080
 V27  C36  H13  single    0.930  0.020  1.080
 V27  C38  H14  single    0.930  0.020  1.080
 V27  C40  H15  single    0.970  0.020  1.090
 V27  C40  H16  single    0.970  0.020  1.090
 V27  C44  H17  single    0.970  0.020  1.090
 V27  C44  H18  single    0.970  0.020  1.090
 V27  C49  H19  single    0.970  0.020  1.090
 V27  C51  H20  single    0.970  0.020  1.090
 V27  C51  H21  single    0.970  0.020  1.090
 V27  C54  H22  single    0.970  0.020  1.090
 V27  C54  H23  single    0.970  0.020  1.090
 V27  C59  H24  single    0.970  0.020  1.090
 V27  C59  H25  single    0.970  0.020  1.090
 V27  C59  H26  single    0.970  0.020  1.090
 V27  C64  H27  single    0.970  0.020  1.090
 V27  C64  H28  single    0.970  0.020  1.090
 V27  C67  H29  single    0.970  0.020  1.090
 V27  C67  H30  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
 V27  H1   O10  C5   110.51  3.000
 V27  F4   C2   F3   107.42  3.000
 V27  F3   C2   F1   107.61  3.000
 V27  F4   C2   F1   107.63  3.000
 V27  F1   C2   C5   111.96  3.000
 V27  F3   C2   C5   112.35  3.000
 V27  F4   C2   C5   109.65  3.000
 V27  C12  C5   C6   111.88  3.000
 V27  C6   C5   C2   111.83  3.000
 V27  C12  C5   C2   108.76  3.000
 V27  C6   C5   O10  107.02  3.000
 V27  C12  C5   O10  113.15  3.000
 V27  C2   C5   O10  103.98  3.000
 V27  F9   C6   F8   106.93  3.000
 V27  F8   C6   F7   107.64  3.000
 V27  F9   C6   F7   107.35  3.000
 V27  F7   C6   C5   109.20  3.000
 V27  F8   C6   C5   113.95  3.000
 V27  F9   C6   C5   111.50  3.000
 V27  C17  C12  C13  118.24  3.000
 V27  C13  C12  C5   123.10  3.000
 V27  C17  C12  C5   118.64  3.000
 V27  H2   C13  C15  117.64  3.000
 V27  H2   C13  C12  122.05  3.000
 V27  C15  C13  C12  120.31  3.000
 V27  H3   C15  C21  119.52  3.000
 V27  H3   C15  C13  118.73  3.000
 V27  C21  C15  C13  121.75  3.000
 V27  H4   C17  C19  117.90  3.000
 V27  H4   C17  C12  121.10  3.000
 V27  C19  C17  C12  121.01  3.000
 V27  H5   C19  C21  120.71  3.000
 V27  H5   C19  C17  118.19  3.000
 V27  C21  C19  C17  121.10  3.000
 V27  C22  C21  C19  123.14  3.000
 V27  C22  C21  C15  119.26  3.000
 V27  C19  C21  C15  117.55  3.000
 V27  H6   C22  C44  107.38  3.000
 V27  H6   C22  C24  105.71  3.000
 V27  C44  C22  C24  103.42  3.000
 V27  H6   C22  C21  107.43  3.000
 V27  C24  C22  C21  115.76  3.000
 V27  C44  C22  C21  116.42  3.000
 V27  C40  C24  C29  112.64  3.000
 V27  C29  C24  C25  111.35  3.000
 V27  C40  C24  C25  109.87  3.000
 V27  C25  C24  C22  111.89  3.000
 V27  C29  C24  C22  110.88  3.000
 V27  C40  C24  C22   99.71  3.000
 V27  H9   C25  H8   107.21  3.000
 V27  H9   C25  H7   107.57  3.000
 V27  H8   C25  H7   108.13  3.000
 V27  H9   C25  C24  112.42  3.000
 V27  H8   C25  C24  110.36  3.000
 V27  H7   C25  C24  110.97  3.000
 V27  C38  C29  C30  117.34  3.000
 V27  C30  C29  C24  119.95  3.000
 V27  C38  C29  C24  122.68  3.000
 V27  H10  C30  C32  118.25  3.000
 V27  H10  C30  C29  120.26  3.000
 V27  C32  C30  C29  121.49  3.000
 V27  H11  C32  C34  120.16  3.000
 V27  H11  C32  C30  119.49  3.000
 V27  C34  C32  C30  120.35  3.000
 V27  H12  C34  C36  120.51  3.000
 V27  H12  C34  C32  120.45  3.000
 V27  C36  C34  C32  119.04  3.000
 V27  H13  C36  C38  119.33  3.000
 V27  H13  C36  C34  120.30  3.000
 V27  C38  C36  C34  120.37  3.000
 V27  H14  C38  C36  117.77  3.000
 V27  H14  C38  C29  120.81  3.000
 V27  C36  C38  C29  121.42  3.000
 V27  H16  C40  H15  107.16  3.000
 V27  H16  C40  N43  110.73  3.000
 V27  H15  C40  N43  112.43  3.000
 V27  H16  C40  C24  109.75  3.000
 V27  H15  C40  C24  111.99  3.000
 V27  N43  C40  C24  104.81  3.000
 V27  C47  N43  C44  120.91  3.000
 V27  C47  N43  C40  127.27  3.000
 V27  C44  N43  C40  111.79  3.000
 V27  H18  C44  H17  107.49  3.000
 V27  H18  C44  N43  111.47  3.000
 V27  H17  C44  N43  110.31  3.000
 V27  H18  C44  C22  111.64  3.000
 V27  H17  C44  C22  112.74  3.000
 V27  N43  C44  C22  103.23  3.000
 V27  C49  C47  O48  121.35  3.000
 V27  C49  C47  N43  117.45  3.000
 V27  O48  C47  N43  121.16  3.000
 V27  H19  C49  C67  107.50  3.000
 V27  H19  C49  C51  107.72  3.000
 V27  C67  C49  C51  110.10  3.000
 V27  H19  C49  C47  110.23  3.000
 V27  C51  C49  C47  112.01  3.000
 V27  C67  C49  C47  109.18  3.000
 V27  H21  C51  H20  107.27  3.000
 V27  H21  C51  C54  109.35  3.000
 V27  H20  C51  C54  108.92  3.000
 V27  H21  C51  C49  110.40  3.000
 V27  H20  C51  C49  110.40  3.000
 V27  C54  C51  C49  110.44  3.000
 V27  H23  C54  H22  107.41  3.000
 V27  H23  C54  N57  108.61  3.000
 V27  H22  C54  N57  109.38  3.000
 V27  H23  C54  C51  109.89  3.000
 V27  H22  C54  C51  110.63  3.000
 V27  N57  C54  C51  110.85  3.000
 V27  C64  N57  C58  125.15  3.000
 V27  C64  N57  C54  113.47  3.000
 V27  C58  N57  C54  121.22  3.000
 V27  O63  C58  C59  120.50  3.000
 V27  O63  C58  N57  122.07  3.000
 V27  C59  C58  N57  117.43  3.000
 V27  H26  C59  H25  107.40  3.000
 V27  H26  C59  H24  108.41  3.000
 V27  H25  C59  H24  108.15  3.000
 V27  H26  C59  C58  112.08  3.000
 V27  H25  C59  C58  111.82  3.000
 V27  H24  C59  C58  108.86  3.000
 V27  H28  C64  H27  106.70  3.000
 V27  H28  C64  C67  109.49  3.000
 V27  H27  C64  C67  109.91  3.000
 V27  H28  C64  N57  108.79  3.000
 V27  H27  C64  N57  110.88  3.000
 V27  C67  C64  N57  110.97  3.000
 V27  H30  C67  H29  107.21  3.000
 V27  H30  C67  C64  109.42  3.000
 V27  H29  C67  C64  108.74  3.000
 V27  H30  C67  C49  109.72  3.000
 V27  H29  C67  C49  110.99  3.000
 V27  C64  C67  C49  110.67  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
 V27  CONST_01  C21  C19  C17  C12     0.00   0.0  0
 V27  CONST_02  C21  C15  C13  C12     0.00   0.0  0
 V27  CONST_03  C19  C17  C12  C13     0.00   0.0  0
 V27  CONST_04  C19  C21  C15  C13     0.00   0.0  0
 V27  CONST_05  C17  C12  C13  C15     0.00   0.0  0
 V27  CONST_06  C17  C19  C21  C15     0.00   0.0  0
 V27  CONST_07  C34  C36  C38  C29     0.00   0.0  0
 V27  CONST_08  C34  C32  C30  C29     0.00   0.0  0
 V27  CONST_09  C36  C38  C29  C30     0.00   0.0  0
 V27  CONST_10  C36  C34  C32  C30     0.00   0.0  0
 V27  CONST_11  C38  C29  C30  C32     0.00   0.0  0
 V27  CONST_12  C38  C36  C34  C32     0.00   0.0  0
 V27  CONST_13  C22  C21  C15  C13   180.00   0.0  0
 V27  CONST_14  C22  C21  C19  C17   180.00   0.0  0
 V27  CONST_15  C36  C38  C29  C24   180.00   0.0  0
 V27  CONST_16  C32  C30  C29  C24   180.00   0.0  0
 V27  CONST_17  C19  C17  C12  C5    180.00   0.0  0
 V27  CONST_18  C15  C13  C12  C5    180.00   0.0  0
 V27  CONST_19  C49  C47  N43  C40     0.00   0.0  0
 V27  CONST_20  C49  C47  N43  C44   180.00   0.0  0
 V27  CONST_21  H5   C19  C17  C12   180.00   0.0  0
 V27  CONST_22  H3   C15  C13  C12   180.00   0.0  0
 V27  CONST_23  H4   C17  C12  C13   180.00   0.0  0
 V27  CONST_24  H2   C13  C12  C17   180.00   0.0  0
 V27  CONST_25  H14  C38  C29  C24     0.00   0.0  0
 V27  CONST_26  H10  C30  C29  C24     0.00   0.0  0
 V27  CONST_27  H13  C36  C38  C29   180.00   0.0  0
 V27  CONST_28  H11  C32  C30  C29   180.00   0.0  0
 V27  CONST_29  H12  C34  C32  C30   180.00   0.0  0
 V27  CONST_30  O48  C47  N43  C40   180.00   0.0  0
 V27  CONST_31  O48  C47  N43  C44     0.00   0.0  0
 V27  CONST_32  C59  C58  N57  C54   180.00   0.0  0
 V27  CONST_33  O63  C58  N57  C54     0.00   0.0  0
 V27  CONST_34  C64  N57  C58  C59     0.00   0.0  0
 V27  CONST_35  C64  N57  C58  O63   180.00   0.0  0
 V27  Var_01    C40  N43  C44  C22    11.13  30.0  1
 V27  Var_02    C44  N43  C40  C24    15.26  30.0  1
 V27  Var_03    N57  C64  C67  C49    54.79  30.0  1
 V27  Var_04    N57  C54  C51  C49   -55.97  30.0  1
 V27  Var_05    C64  N57  C54  C51    58.29  30.0  1
 V27  Var_06    C67  C64  N57  C54   -57.71  30.0  1
 V27  Var_07    C17  C12  C5   O10    16.82  30.0  2
 V27  Var_08    F4   C2   C5   C12    60.02  30.0  3
 V27  Var_09    F9   C6   C5   C12  -168.89  30.0  3
 V27  Var_10    H24  C59  C58  N57   176.86  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
 V27  chir_01  C22  C44  C21  C24  negativ
 V27  chir_02  C24  C29  C40  C22  negativ
 V27  chir_03  C49  C67  C47  C51  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
 V27  plan-1  C5   0.020
 V27  plan-1  C12  0.020
 V27  plan-1  C13  0.020
 V27  plan-1  C15  0.020
 V27  plan-1  C17  0.020
 V27  plan-1  C19  0.020
 V27  plan-1  C21  0.020
 V27  plan-1  C22  0.020
 V27  plan-1  H2   0.020
 V27  plan-1  H3   0.020
 V27  plan-1  H4   0.020
 V27  plan-1  H5   0.020
 V27  plan-2  C24  0.020
 V27  plan-2  C29  0.020
 V27  plan-2  C30  0.020
 V27  plan-2  C32  0.020
 V27  plan-2  C34  0.020
 V27  plan-2  C36  0.020
 V27  plan-2  C38  0.020
 V27  plan-2  H10  0.020
 V27  plan-2  H11  0.020
 V27  plan-2  H12  0.020
 V27  plan-2  H13  0.020
 V27  plan-2  H14  0.020
 V27  plan-3  C54  0.020
 V27  plan-3  N57  0.020
 V27  plan-3  C58  0.020
 V27  plan-3  C59  0.020
 V27  plan-3  O63  0.020
 V27  plan-3  C64  0.020
 V27  plan-4  C40  0.020
 V27  plan-4  N43  0.020
 V27  plan-4  C44  0.020
 V27  plan-4  C47  0.020
 V27  plan-4  O48  0.020
 V27  plan-4  C49  0.020

