#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/24/1532465.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1532465
loop_
_publ_author_name
'Jia, Fei'
'He, Zhenfeng'
'Yang, Liu-Pan'
'Pan, Zhi-Sheng'
'Yi, Min'
'Jiang, Ren-Wang'
'Jiang, Wei'
_publ_section_title
;
 Oxatub[4]arene: a smart macrocyclic receptor with multiple
 interconvertible cavities
;
_journal_issue                   12
_journal_name_full               'Chem. Sci.'
_journal_page_first              6731
_journal_paper_doi               10.1039/C5SC03251B
_journal_volume                  6
_journal_year                    2015
_chemical_absolute_configuration rm
_chemical_formula_sum            'C47.5 H62.5 F6 N1.5 O6.5 P'
_chemical_formula_weight         903.46
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           13
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2015-01-15 deposited with the CCDC.
2015-09-22 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 107.850(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.9874(6)
_cell_length_b                   18.0758(4)
_cell_length_c                   18.1871(6)
_cell_measurement_reflns_used    8547
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      62.6850
_cell_measurement_theta_min      3.7710
_cell_volume                     5002.8(3)
_computing_cell_refinement       'CrysAlis PRO '
_computing_data_collection       'CrysAlis PRO '
_computing_data_reduction        'CrysAlis PRO'
_computing_molecular_graphics    'XP (Sheldrick, 2008)'
_computing_publication_material  'XP (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Agilent Gemini S ultra sapharie CCD'
_diffrn_measurement_method       'omega scan'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0287
_diffrn_reflns_av_sigmaI/netI    0.0286
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            23136
_diffrn_reflns_theta_full        62.68
_diffrn_reflns_theta_max         62.68
_diffrn_reflns_theta_min         3.80
_exptl_absorpt_coefficient_mu    1.073
_exptl_absorpt_correction_T_max  1.00
_exptl_absorpt_correction_T_min  0.81
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2004)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.200
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1916
_exptl_crystal_recrystallization_method
'vapor diffusion of diethyl ether into the solution in 1:1 DCM and MeCN'
_exptl_crystal_size_max          0.42
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.23
_refine_diff_density_max         0.801
_refine_diff_density_min         -0.444
_refine_diff_density_rms         0.074
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.349
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     639
_refine_ls_number_reflns         7965
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.349
_refine_ls_R_factor_all          0.1088
_refine_ls_R_factor_gt           0.0907
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.2000P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2874
_refine_ls_wR_factor_ref         0.3221
_reflns_number_gt                6021
_reflns_number_total             7965
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5sc03251b2.cif
_cod_data_source_block           tb4
_cod_depositor_comments
'Adding full bibliography for 1532465--1532466.cif.'
_cod_original_sg_symbol_H-M      P2/c
_cod_original_formula_sum        'C47.50 H62.50 F6 N1.50 O6.50 P'
_cod_database_code               1532465
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
O1 O 0.89351(17) 0.25277(11) -0.05041(12) 0.0560(6) Uani 1 1 d .
O2 O 1.09762(18) 0.18098(15) -0.04170(15) 0.0688(7) Uani 1 1 d .
O3 O 1.0000 0.00309(15) 0.2500 0.0583(8) Uani 1 2 d S
O4 O 0.7826(3) -0.03160(17) 0.1323(3) 0.1047(12) Uani 1 1 d .
O5 O 0.71353(18) 0.38147(15) -0.09206(19) 0.0789(8) Uani 1 1 d .
O6 O 1.0000 0.48495(14) 0.2500 0.0554(8) Uani 1 2 d S
O7 O 1.17694(16) 0.47262(14) 0.18148(14) 0.0624(6) Uani 1 1 d .
N1 N 0.9327(2) 0.25572(14) 0.19033(17) 0.0648(8) Uani 1 1 d .
P1 P 0.69096(7) 0.20179(6) 0.26487(7) 0.0767(4) Uani 1 1 d .
C1 C 1.0571(2) 0.05173(16) 0.09991(17) 0.0523(8) Uani 1 1 d .
H1A H 1.0884 0.0228 0.1416 0.063 Uiso 1 1 calc R
C2 C 1.1027(2) 0.09477(18) 0.06323(18) 0.0553(8) Uani 1 1 d .
H2A H 1.1638 0.0954 0.0806 0.066 Uiso 1 1 calc R
C3 C 1.0565(2) 0.13823(16) -0.00119(17) 0.0529(8) Uani 1 1 d .
C4 C 0.9660(2) 0.13928(15) -0.02592(16) 0.0499(7) Uani 1 1 d .
C5 C 0.8268(3) 0.09675(19) -0.0074(2) 0.0642(9) Uani 1 1 d .
H5A H 0.7956 0.1260 -0.0487 0.077 Uiso 1 1 calc R
C6 C 0.7812(3) 0.0561(2) 0.0314(3) 0.0752(11) Uani 1 1 d .
H6A H 0.7202 0.0583 0.0165 0.090 Uiso 1 1 calc R
C7 C 0.8274(3) 0.01072(19) 0.0941(3) 0.0709(10) Uani 1 1 d .
C8 C 0.9170(3) 0.00614(15) 0.11598(19) 0.0561(8) Uani 1 1 d .
C9 C 0.9651(2) 0.04982(15) 0.07683(16) 0.0482(7) Uani 1 1 d .
C10 C 0.9189(2) 0.09562(15) 0.01326(16) 0.0493(7) Uani 1 1 d .
C11 C 0.9638(3) -0.04191(16) 0.18235(18) 0.0612(9) Uani 1 1 d .
H11A H 0.9233 -0.0778 0.1920 0.073 Uiso 1 1 calc R
H11B H 1.0106 -0.0686 0.1703 0.073 Uiso 1 1 calc R
C12 C 0.7066(6) -0.0120(4) 0.1400(7) 0.171(5) Uani 1 1 d .
H12A H 0.6650 -0.0062 0.0888 0.206 Uiso 1 1 calc R
H12B H 0.7137 0.0361 0.1648 0.206 Uiso 1 1 calc R
C13 C 0.6688(8) -0.0616(7) 0.1834(9) 0.214(7) Uani 1 1 d .
H13A H 0.6141 -0.0395 0.1848 0.257 Uiso 1 1 calc R
H13B H 0.6535 -0.1067 0.1533 0.257 Uiso 1 1 calc R
C14 C 0.7067(9) -0.0790(12) 0.2457(6) 0.279(11) Uani 1 1 d .
H14A H 0.7221 -0.0345 0.2768 0.335 Uiso 1 1 calc R
H14B H 0.7611 -0.1024 0.2452 0.335 Uiso 1 1 calc R
C15 C 0.6556(10) -0.1352(14) 0.2884(8) 0.405(19) Uani 1 1 d .
H15A H 0.6934 -0.1465 0.3393 0.486 Uiso 1 1 calc R
H15B H 0.6407 -0.1800 0.2589 0.486 Uiso 1 1 calc R
H15C H 0.6030 -0.1119 0.2919 0.486 Uiso 1 1 calc R
C16 C 1.1920(3) 0.1830(2) -0.0185(2) 0.0712(10) Uani 1 1 d .
H16A H 1.2154 0.1331 -0.0115 0.085 Uiso 1 1 calc R
H16B H 1.2145 0.2092 0.0302 0.085 Uiso 1 1 calc R
C17 C 1.2196(4) 0.2219(3) -0.0803(4) 0.0987(15) Uani 1 1 d .
H17A H 1.2833 0.2244 -0.0633 0.118 Uiso 1 1 calc R
H17B H 1.2023 0.1912 -0.1262 0.118 Uiso 1 1 calc R
C18 C 1.1866(4) 0.2960(3) -0.1027(4) 0.0998(15) Uani 1 1 d .
H18A H 1.2042 0.3281 -0.0578 0.120 Uiso 1 1 calc R
H18B H 1.1229 0.2947 -0.1210 0.120 Uiso 1 1 calc R
C19 C 1.2201(4) 0.3284(3) -0.1656(4) 0.1083(18) Uani 1 1 d .
H19A H 1.1962 0.3771 -0.1787 0.163 Uiso 1 1 calc R
H19B H 1.2021 0.2973 -0.2106 0.163 Uiso 1 1 calc R
H19C H 1.2831 0.3312 -0.1474 0.163 Uiso 1 1 calc R
C20 C 0.9188(2) 0.19168(17) -0.08864(17) 0.0545(8) Uani 1 1 d .
H20A H 0.9572 0.2079 -0.1177 0.065 Uiso 1 1 calc R
H20B H 0.8675 0.1681 -0.1238 0.065 Uiso 1 1 calc R
C21 C 0.8688(2) 0.31817(18) -0.09675(19) 0.0561(8) Uani 1 1 d .
H21A H 0.8116 0.3119 -0.1349 0.067 Uiso 1 1 calc R
H21B H 0.9115 0.3293 -0.1232 0.067 Uiso 1 1 calc R
C22 C 0.8661(2) 0.37908(16) -0.04098(19) 0.0528(8) Uani 1 1 d .
C23 C 0.7873(2) 0.40649(17) -0.0378(2) 0.0599(8) Uani 1 1 d .
C24 C 0.7851(2) 0.45806(18) 0.0198(2) 0.0637(9) Uani 1 1 d .
H24A H 0.7314 0.4768 0.0213 0.076 Uiso 1 1 calc R
C25 C 0.8607(2) 0.48057(16) 0.0730(2) 0.0571(8) Uani 1 1 d .
H25A H 0.8576 0.5135 0.1114 0.069 Uiso 1 1 calc R
C26 C 1.0238(2) 0.47841(15) 0.12822(18) 0.0488(7) Uani 1 1 d .
C27 C 1.1032(2) 0.44975(17) 0.12530(19) 0.0520(7) Uani 1 1 d .
C28 C 1.1051(2) 0.39876(17) 0.06639(18) 0.0512(7) Uani 1 1 d .
H28A H 1.1586 0.3803 0.0644 0.061 Uiso 1 1 calc R
C29 C 1.0295(2) 0.37670(16) 0.01293(17) 0.0495(7) Uani 1 1 d .
H29A H 1.0324 0.3430 -0.0249 0.059 Uiso 1 1 calc R
C30 C 0.9459(2) 0.40368(15) 0.01312(17) 0.0465(7) Uani 1 1 d .
C31 C 0.9444(2) 0.45524(15) 0.07182(19) 0.0500(7) Uani 1 1 d .
C32 C 1.0214(2) 0.52894(15) 0.1926(2) 0.0551(8) Uani 1 1 d .
H32A H 1.0781 0.5525 0.2145 0.066 Uiso 1 1 calc R
H32B H 0.9774 0.5671 0.1736 0.066 Uiso 1 1 calc R
C33 C 1.2616(2) 0.4478(2) 0.1777(2) 0.0670(9) Uani 1 1 d .
H33A H 1.2678 0.4593 0.1276 0.080 Uiso 1 1 calc R
H33B H 1.2669 0.3946 0.1853 0.080 Uiso 1 1 calc R
C34 C 1.3318(3) 0.4869(3) 0.2406(3) 0.0778(11) Uani 1 1 d .
H34A H 1.3887 0.4748 0.2349 0.093 Uiso 1 1 calc R
H34B H 1.3235 0.5399 0.2331 0.093 Uiso 1 1 calc R
C35 C 1.3334(3) 0.4683(3) 0.3215(3) 0.0852(12) Uani 1 1 d .
H35A H 1.3391 0.4152 0.3286 0.102 Uiso 1 1 calc R
H35B H 1.2779 0.4829 0.3284 0.102 Uiso 1 1 calc R
C36 C 1.4073(4) 0.5056(4) 0.3826(4) 0.1070(17) Uani 1 1 d .
H36A H 1.4045 0.4922 0.4329 0.161 Uiso 1 1 calc R
H36B H 1.4018 0.5583 0.3764 0.161 Uiso 1 1 calc R
H36C H 1.4626 0.4901 0.3775 0.161 Uiso 1 1 calc R
C37 C 0.6287(3) 0.3950(3) -0.0830(4) 0.0950(15) Uani 1 1 d .
H37A H 0.5839 0.3879 -0.1323 0.114 Uiso 1 1 calc R
H37B H 0.6258 0.4460 -0.0675 0.114 Uiso 1 1 calc R
C38 C 0.6106(5) 0.3471(4) -0.0266(5) 0.127(2) Uani 1 1 d .
H38A H 0.5532 0.3593 -0.0223 0.152 Uiso 1 1 calc R
H38B H 0.6537 0.3562 0.0232 0.152 Uiso 1 1 calc R
C39 C 0.6122(7) 0.2625(4) -0.0467(7) 0.166(4) Uani 1 1 d .
H39A H 0.6629 0.2518 -0.0636 0.200 Uiso 1 1 calc R
H39B H 0.6161 0.2328 -0.0014 0.200 Uiso 1 1 calc R
C47 C 0.9533(4) 0.17866(18) 0.2208(2) 0.0859(15) Uani 1 1 d .
H47A H 0.9506 0.1448 0.1787 0.103 Uiso 1 1 calc R
H47B H 0.9109 0.1627 0.2459 0.103 Uiso 1 1 calc R
C48 C 1.0111(3) 0.2856(2) 0.1720(2) 0.0740(11) Uani 1 1 d .
H48A H 0.9951 0.3300 0.1408 0.089 Uiso 1 1 calc R
H48B H 1.0326 0.2494 0.1428 0.089 Uiso 1 1 calc R
C49 C 0.9166(3) 0.3037(2) 0.2521(2) 0.0674(10) Uani 1 1 d .
H49A H 0.8591 0.2935 0.2572 0.081 Uiso 1 1 calc R
H49B H 0.9192 0.3555 0.2391 0.081 Uiso 1 1 calc R
C50 C 0.8537(4) 0.2573(3) 0.1192(3) 0.0848(13) Uani 1 1 d .
H50A H 0.8646 0.2267 0.0799 0.127 Uiso 1 1 calc R
H50B H 0.8429 0.3072 0.1006 0.127 Uiso 1 1 calc R
H50C H 0.8033 0.2390 0.1316 0.127 Uiso 1 1 calc R
C40 C 0.5302(14) 0.2447(10) -0.1091(12) 0.157(6) Uiso 0.50 1 d P
H40A H 0.5297 0.1930 -0.1215 0.235 Uiso 0.50 1 calc PR
H40B H 0.5275 0.2735 -0.1542 0.235 Uiso 0.50 1 calc PR
H40C H 0.4804 0.2560 -0.0922 0.235 Uiso 0.50 1 calc PR
C41 C 0.4686(11) 0.0969(9) 0.4989(9) 0.127(4) Uiso 0.50 1 d P
C42 C 0.5048(9) 0.0900(8) 0.4615(9) 0.083(3) Uiso 0.50 1 d P
C43 C 0.5458(17) 0.0727(18) 0.386(2) 0.179(19) Uani 0.50 1 d P
C44 C 0.5750(10) -0.0078(8) 0.3693(9) 0.122(4) Uiso 0.50 1 d P
O9 O 0.538(3) 0.0681(17) 0.417(3) 0.162(18) Uani 0.25 1 d P
O9A O 0.550(3) 0.104(2) 0.458(2) 0.201(18) Uani 0.25 1 d P
C45 C 0.5836(4) 0.3532(4) 0.4279(4) 0.1026(16) Uani 1 1 d .
C46 C 0.5197(6) 0.2969(6) 0.3886(8) 0.210(6) Uani 1 1 d .
H46A H 0.5154 0.2599 0.4251 0.315 Uiso 1 1 calc R
H46B H 0.5385 0.2742 0.3486 0.315 Uiso 1 1 calc R
H46C H 0.4634 0.3196 0.3663 0.315 Uiso 1 1 calc R
N2 N 0.6327(5) 0.3939(4) 0.4567(4) 0.0765(19) Uani 0.50 1 d P
F1 F 0.7702(4) 0.2445(3) 0.3255(4) 0.0975(17) Uani 0.70 1 d P
F1' F 0.7932(9) 0.2105(8) 0.3145(10) 0.100(5) Uani 0.30 1 d P
F2 F 0.7627(4) 0.1545(3) 0.2424(4) 0.1252(16) Uani 0.80 1 d P
F2' F 0.698(2) 0.1691(13) 0.1923(14) 0.137(7) Uani 0.20 1 d P
F3 F 0.6137(4) 0.1645(3) 0.2028(5) 0.137(3) Uani 0.70 1 d P
F3' F 0.5852(8) 0.1998(13) 0.2377(10) 0.130(5) Uani 0.30 1 d P
F4 F 0.6270(4) 0.2589(4) 0.2836(5) 0.144(2) Uani 0.75 1 d P
F4' F 0.6757(11) 0.2314(15) 0.3431(8) 0.153(8) Uani 0.25 1 d P
F5 F 0.6961(16) 0.2738(9) 0.2243(15) 0.144(11) Uani 0.30 1 d P
F5' F 0.7012(6) 0.2600(5) 0.2017(5) 0.105(3) Uani 0.70 1 d P
F6 F 0.698(2) 0.1212(14) 0.2941(15) 0.186(12) Uani 0.30 1 d P
F6' F 0.6862(4) 0.1425(5) 0.3257(4) 0.122(3) Uani 0.70 1 d P
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
C20 O1 C21 114.8(2) . .
C3 O2 C16 119.4(3) . .
C11 O3 C11 111.2(3) . 2_755
C12 O4 C7 123.1(4) . .
C23 O5 C37 119.9(4) . .
C32 O6 C32 112.7(3) 2_755 .
C27 O7 C33 118.4(3) . .
C48 N1 C47 108.3(3) . .
C48 N1 C49 107.8(3) . .
C47 N1 C49 109.2(3) . .
C48 N1 C50 109.9(3) . .
C47 N1 C50 111.5(3) . .
C49 N1 C50 110.0(3) . .
F2' P1 F5 83.0(13) . .
F2' P1 F6 84.9(13) . .
F5 P1 F6 166.5(15) . .
F2' P1 F3 56.1(11) . .
F5 P1 F3 99.7(9) . .
F6 P1 F3 78.4(11) . .
F2' P1 F6' 113.1(10) . .
F5 P1 F6' 163.9(11) . .
F6 P1 F6' 28.5(9) . .
F3 P1 F6' 91.0(4) . .
F2' P1 F4 133.9(13) . .
F5 P1 F4 71.0(11) . .
F6 P1 F4 122.3(12) . .
F3 P1 F4 91.0(4) . .
F6' P1 F4 97.0(4) . .
F2' P1 F2 44.9(12) . .
F5 P1 F2 100.8(11) . .
F6 P1 F2 66.1(12) . .
F3 P1 F2 93.2(4) . .
F6' P1 F2 90.5(4) . .
F4 P1 F2 171.3(3) . .
F2' P1 F1 122.9(11) . .
F5 P1 F1 76.7(9) . .
F6 P1 F1 105.0(11) . .
F3 P1 F1 176.5(4) . .
F6' P1 F1 92.5(3) . .
F4 P1 F1 87.9(4) . .
F2 P1 F1 87.5(3) . .
F2' P1 F5' 64.6(10) . .
F5 P1 F5' 18.5(11) . .
F6 P1 F5' 148.6(11) . .
F3 P1 F5' 89.8(5) . .
F6' P1 F5' 176.4(4) . .
F4 P1 F5' 86.5(4) . .
F2 P1 F5' 85.9(4) . .
F1 P1 F5' 86.8(4) . .
F2' P1 F4' 174.5(13) . .
F5 P1 F4' 101.0(14) . .
F6 P1 F4' 91.5(13) . .
F3 P1 F4' 119.2(8) . .
F6' P1 F4' 63.1(10) . .
F4 P1 F4' 45.6(7) . .
F2 P1 F4' 136.7(7) . .
F1 P1 F4' 62.1(7) . .
F5' P1 F4' 119.5(11) . .
F2' P1 F3' 94.7(14) . .
F5 P1 F3' 94.5(11) . .
F6 P1 F3' 92.5(14) . .
F3 P1 F3' 40.4(7) . .
F6' P1 F3' 85.8(6) . .
F4 P1 F3' 52.1(8) . .
F2 P1 F3' 133.2(9) . .
F1 P1 F3' 139.2(9) . .
F5' P1 F3' 97.1(6) . .
F4' P1 F3' 81.4(9) . .
F2' P1 F1' 101.1(14) . .
F5 P1 F1' 89.5(10) . .
F6 P1 F1' 86.8(13) . .
F3 P1 F1' 153.4(7) . .
F6' P1 F1' 86.1(5) . .
F4 P1 F1' 115.6(7) . .
F2 P1 F1' 60.5(7) . .
F1 P1 F1' 27.8(5) . .
F5' P1 F1' 91.6(6) . .
F4' P1 F1' 82.8(8) . .
F3' P1 F1' 164.1(10) . .
C2 C1 C9 122.3(3) . .
C1 C2 C3 119.8(3) . .
O2 C3 C4 116.5(3) . .
O2 C3 C2 122.9(3) . .
C4 C3 C2 120.5(3) . .
C3 C4 C10 119.5(3) . .
C3 C4 C20 119.5(3) . .
C10 C4 C20 120.8(3) . .
C6 C5 C10 122.2(4) . .
C5 C6 C7 119.8(4) . .
C8 C7 O4 118.7(4) . .
C8 C7 C6 120.8(3) . .
O4 C7 C6 120.5(4) . .
C7 C8 C9 119.7(3) . .
C7 C8 C11 119.6(3) . .
C9 C8 C11 120.7(3) . .
C1 C9 C10 117.5(3) . .
C1 C9 C8 122.6(3) . .
C10 C9 C8 119.9(3) . .
C5 C10 C4 122.1(3) . .
C5 C10 C9 117.6(3) . .
C4 C10 C9 120.3(3) . .
O3 C11 C8 109.5(2) . .
O4 C12 C13 116.5(7) . .
C14 C13 C12 121.7(16) . .
C13 C14 C15 116.5(12) . .
O2 C16 C17 108.3(4) . .
C18 C17 C16 118.5(5) . .
C17 C18 C19 112.6(5) . .
O1 C20 C4 105.7(2) . .
O1 C21 C22 105.4(2) . .
C23 C22 C30 119.9(3) . .
C23 C22 C21 120.5(3) . .
C30 C22 C21 119.3(3) . .
O5 C23 C22 116.9(3) . .
O5 C23 C24 122.9(3) . .
C22 C23 C24 120.2(3) . .
C25 C24 C23 120.5(3) . .
C24 C25 C31 121.9(3) . .
C27 C26 C31 119.0(3) . .
C27 C26 C32 120.1(3) . .
C31 C26 C32 120.7(3) . .
O7 C27 C26 116.6(3) . .
O7 C27 C28 123.3(3) . .
C26 C27 C28 120.1(3) . .
C29 C28 C27 120.7(3) . .
C28 C29 C30 121.9(3) . .
C22 C30 C31 120.4(3) . .
C22 C30 C29 122.3(3) . .
C31 C30 C29 117.2(3) . .
C25 C31 C30 117.1(3) . .
C25 C31 C26 121.9(3) . .
C30 C31 C26 121.0(3) . .
O6 C32 C26 107.5(2) . .
O7 C33 C34 107.9(3) . .
C35 C34 C33 114.9(3) . .
C34 C35 C36 113.3(4) . .
O5 C37 C38 112.6(5) . .
C37 C38 C39 113.5(7) . .
C40 C39 C38 108.4(11) . .
N1 C47 C47 108.1(3) . 2_755
N1 C48 C49 109.0(3) . 2_755
N1 C49 C48 107.2(3) . 2_755
C42 C41 O9A 18.6(19) . .
O9A C42 C41 137(5) . .
O9A C42 O9 56(4) . .
C41 C42 O9 166(3) . .
O9A C42 C43 54(4) . .
C41 C42 C43 168(2) . .
O9 C42 C43 11(2) . .
O9 C43 O9A 34(5) . .
O9 C43 C44 102(6) . .
O9A C43 C44 128(3) . .
O9 C43 C42 21(5) . .
O9A C43 C42 26.7(18) . .
C44 C43 C42 121.4(16) . .
C43 C44 O9 19.6(16) . .
C43 O9 O9A 124(7) . .
C43 O9 C42 149(7) . .
O9A O9 C42 42(5) . .
C43 O9 C44 59(6) . .
O9A O9 C44 149(5) . .
C42 O9 C44 151(3) . .
C42 O9A O9 82(5) . .
C42 O9A C43 99(4) . .
O9 O9A C43 21(3) . .
C42 O9A C41 25(3) . .
O9 O9A C41 107(5) . .
C43 O9A C41 124(3) . .
N2 C45 C46 178.2(7) . .
F1' F1 P1 77.1(14) . .
F1' F1 F4' 118.2(17) . .
P1 F1 F4' 59.2(6) . .
F1 F1' F2 131.4(18) . .
F1 F1' P1 75.0(13) . .
F2 F1' P1 58.7(6) . .
F2' F2 P1 63.1(8) . .
F2' F2 F1' 117.7(11) . .
P1 F2 F1' 60.8(5) . .
F2' F2 F6 88.5(14) . .
P1 F2 F6 55.9(9) . .
F1' F2 F6 81.8(10) . .
F2 F2' F3 121.6(15) . .
F2 F2' P1 72.0(12) . .
F3 F2' P1 64.3(7) . .
F2 F2' F5' 98.9(17) . .
F3 F2' F5' 92.3(14) . .
P1 F2' F5' 61.2(8) . .
F3' F3 F2' 128.7(13) . .
F3' F3 P1 72.8(8) . .
F2' F3 P1 59.6(9) . .
F3 F3' F4 125.9(12) . .
F3 F3' P1 66.8(7) . .
F4 F3' P1 62.2(6) . .
F4' F4 F3' 106.0(14) . .
F4' F4 P1 69.1(7) . .
F3' F4 P1 65.7(6) . .
F4 F4' P1 65.3(7) . .
F4 F4' F6' 107.3(11) . .
P1 F4' F6' 57.0(6) . .
F4 F4' F1 98.1(15) . .
P1 F4' F1 58.8(6) . .
F6' F4' F1 87.2(8) . .
F5' F5 P1 91(3) . .
F5 F5' P1 71(3) . .
F5 F5' F2' 125(3) . .
P1 F5' F2' 54.2(7) . .
F6' F6 P1 77(2) . .
F6' F6 F2 125(3) . .
P1 F6 F2 58.0(9) . .
F6 F6' P1 75(2) . .
F6 F6' F4' 134(2) . .
P1 F6' F4' 59.9(7) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
O1 C20 1.428(4) .
O1 C21 1.435(4) .
O2 C3 1.368(4) .
O2 C16 1.438(5) .
O3 C11 1.440(3) .
O3 C11 1.440(3) 2_755
O4 C12 1.314(8) .
O4 C7 1.373(5) .
O5 C23 1.362(5) .
O5 C37 1.436(5) .
O6 C32 1.434(3) 2_755
O6 C32 1.434(3) .
O7 C27 1.366(4) .
O7 C33 1.447(5) .
N1 C48 1.495(5) .
N1 C47 1.498(4) .
N1 C49 1.501(4) .
N1 C50 1.506(6) .
P1 F2' 1.484(17) .
P1 F5 1.511(17) .
P1 F6 1.54(3) .
P1 F3 1.549(5) .
P1 F6' 1.559(6) .
P1 F4 1.563(5) .
P1 F2 1.582(5) .
P1 F1 1.600(6) .
P1 F5' 1.602(8) .
P1 F4' 1.608(13) .
P1 F3' 1.611(12) .
P1 F1' 1.615(14) .
C1 C2 1.371(5) .
C1 C9 1.401(5) .
C2 C3 1.416(5) .
C3 C4 1.376(5) .
C4 C10 1.424(5) .
C4 C20 1.497(4) .
C5 C6 1.372(6) .
C5 C10 1.405(5) .
C6 C7 1.414(6) .
C7 C8 1.367(6) .
C8 C9 1.434(5) .
C8 C11 1.489(5) .
C9 C10 1.429(4) .
C12 C13 1.444(10) .
C13 C14 1.152(15) .
C14 C15 1.639(15) .
C16 C17 1.502(7) .
C17 C18 1.452(8) .
C18 C19 1.521(7) .
C21 C22 1.506(5) .
C22 C23 1.371(5) .
C22 C30 1.423(5) .
C23 C24 1.411(6) .
C24 C25 1.360(5) .
C25 C31 1.421(5) .
C26 C27 1.388(5) .
C26 C31 1.428(5) .
C26 C32 1.495(5) .
C27 C28 1.420(5) .
C28 C29 1.358(5) .
C29 C30 1.423(4) .
C30 C31 1.423(5) .
C33 C34 1.511(6) .
C34 C35 1.503(7) .
C35 C36 1.510(7) .
C37 C38 1.438(9) .
C38 C39 1.574(11) .
C39 C40 1.48(2) .
C47 C47 1.545(11) 2_755
C48 C49 1.540(6) 2_755
C49 C48 1.540(6) 2_755
C41 C42 1.028(18) .
C41 O9A 1.69(6) .
C42 O9A 0.79(5) .
C42 O9 1.17(6) .
C42 C43 1.73(3) .
C43 O9 0.62(6) .
C43 O9A 1.42(7) .
C43 C44 1.58(4) .
C44 O9 1.81(5) .
O9 O9A 0.97(6) .
C45 N2 1.087(8) .
C45 C46 1.464(9) .
F1 F1' 0.774(14) .
F1 F4' 1.65(2) .
F1' F2 1.610(19) .
F2 F2' 1.18(3) .
F2 F6 1.70(3) .
F2' F3 1.43(2) .
F2' F5' 1.65(2) .
F3 F3' 1.093(18) .
F3' F4 1.39(2) .
F4 F4' 1.229(18) .
F4' F6' 1.66(3) .
F5 F5' 0.51(3) .
F6 F6' 0.76(3) .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
C9 C1 C2 C3 -1.1(4) . .
C16 O2 C3 C4 179.4(3) . .
C16 O2 C3 C2 -0.4(5) . .
C1 C2 C3 O2 -178.3(3) . .
C1 C2 C3 C4 1.9(4) . .
O2 C3 C4 C10 179.5(3) . .
C2 C3 C4 C10 -0.7(4) . .
O2 C3 C4 C20 -6.3(4) . .
C2 C3 C4 C20 173.5(3) . .
C10 C5 C6 C7 -0.5(6) . .
C12 O4 C7 C8 151.2(8) . .
C12 O4 C7 C6 -31.0(9) . .
C5 C6 C7 C8 -0.8(6) . .
C5 C6 C7 O4 -178.5(4) . .
O4 C7 C8 C9 180.0(3) . .
C6 C7 C8 C9 2.2(5) . .
O4 C7 C8 C11 -2.5(5) . .
C6 C7 C8 C11 179.8(3) . .
C2 C1 C9 C10 -0.8(4) . .
C2 C1 C9 C8 -178.6(3) . .
C7 C8 C9 C1 175.4(3) . .
C11 C8 C9 C1 -2.2(4) . .
C7 C8 C9 C10 -2.4(4) . .
C11 C8 C9 C10 -180.0(2) . .
C6 C5 C10 C4 -178.4(3) . .
C6 C5 C10 C9 0.3(5) . .
C3 C4 C10 C5 177.4(3) . .
C20 C4 C10 C5 3.3(4) . .
C3 C4 C10 C9 -1.3(4) . .
C20 C4 C10 C9 -175.4(3) . .
C1 C9 C10 C5 -176.7(3) . .
C8 C9 C10 C5 1.2(4) . .
C1 C9 C10 C4 2.0(4) . .
C8 C9 C10 C4 179.9(2) . .
C11 O3 C11 C8 172.7(4) 2_755 .
C7 C8 C11 O3 -101.3(4) . .
C9 C8 C11 O3 76.2(4) . .
C7 O4 C12 C13 -178.6(10) . .
O4 C12 C13 C14 56(2) . .
C12 C13 C14 C15 179.6(15) . .
C3 O2 C16 C17 169.6(4) . .
O2 C16 C17 C18 55.9(6) . .
C16 C17 C18 C19 179.9(5) . .
C21 O1 C20 C4 163.8(3) . .
C3 C4 C20 O1 -99.9(3) . .
C10 C4 C20 O1 74.2(3) . .
C20 O1 C21 C22 -166.9(3) . .
O1 C21 C22 C23 -106.1(3) . .
O1 C21 C22 C30 68.6(3) . .
C37 O5 C23 C22 166.8(3) . .
C37 O5 C23 C24 -13.1(5) . .
C30 C22 C23 O5 179.0(3) . .
C21 C22 C23 O5 -6.4(4) . .
C30 C22 C23 C24 -1.1(5) . .
C21 C22 C23 C24 173.5(3) . .
O5 C23 C24 C25 179.3(3) . .
C22 C23 C24 C25 -0.6(5) . .
C23 C24 C25 C31 1.8(5) . .
C33 O7 C27 C26 -176.1(3) . .
C33 O7 C27 C28 4.5(4) . .
C31 C26 C27 O7 -178.7(2) . .
C32 C26 C27 O7 -2.7(4) . .
C31 C26 C27 C28 0.7(4) . .
C32 C26 C27 C28 176.8(3) . .
O7 C27 C28 C29 178.5(3) . .
C26 C27 C28 C29 -0.8(4) . .
C27 C28 C29 C30 0.4(4) . .
C23 C22 C30 C31 1.6(4) . .
C21 C22 C30 C31 -173.1(3) . .
C23 C22 C30 C29 179.5(3) . .
C21 C22 C30 C29 4.8(4) . .
C28 C29 C30 C22 -177.8(3) . .
C28 C29 C30 C31 0.1(4) . .
C24 C25 C31 C30 -1.3(4) . .
C24 C25 C31 C26 -179.4(3) . .
C22 C30 C31 C25 -0.4(4) . .
C29 C30 C31 C25 -178.4(2) . .
C22 C30 C31 C26 177.7(2) . .
C29 C30 C31 C26 -0.3(4) . .
C27 C26 C31 C25 177.9(3) . .
C32 C26 C31 C25 1.9(4) . .
C27 C26 C31 C30 -0.1(4) . .
C32 C26 C31 C30 -176.2(2) . .
C32 O6 C32 C26 -168.4(3) 2_755 .
C27 C26 C32 O6 -96.6(3) . .
C31 C26 C32 O6 79.4(3) . .
C27 O7 C33 C34 174.0(3) . .
O7 C33 C34 C35 64.5(5) . .
C33 C34 C35 C36 177.1(4) . .
C23 O5 C37 C38 -76.4(6) . .
O5 C37 C38 C39 -59.7(8) . .
C37 C38 C39 C40 -75.6(12) . .
C48 N1 C47 C47 44.5(5) . 2_755
C49 N1 C47 C47 -72.7(5) . 2_755
C50 N1 C47 C47 165.5(4) . 2_755
C47 N1 C48 C49 -73.4(4) . 2_755
C49 N1 C48 C49 44.7(4) . 2_755
C50 N1 C48 C49 164.6(3) . 2_755
C48 N1 C49 C48 -73.2(3) . 2_755
C47 N1 C49 C48 44.3(4) . 2_755
C50 N1 C49 C48 167.0(3) . 2_755
O9A C41 C42 O9 151(12) . .
O9A C41 C42 C43 -160(12) . .
O9A C42 C43 O9 94(13) . .
C41 C42 C43 O9 -103(16) . .
C41 C42 C43 O9A 163(10) . .
O9 C42 C43 O9A -94(13) . .
O9A C42 C43 C44 112(5) . .
C41 C42 C43 C44 -85(9) . .
O9 C42 C43 C44 18(12) . .
O9A C43 C44 O9 25(5) . .
C42 C43 C44 O9 -6(4) . .
C44 C43 O9 O9A 143(7) . .
C42 C43 O9 O9A -53(10) . .
O9A C43 O9 C42 53(10) . .
C44 C43 O9 C42 -164(10) . .
O9A C43 O9 C44 -143(7) . .
C42 C43 O9 C44 164(10) . .
O9A C42 O9 C43 -78(13) . .
C41 C42 O9 C43 125(12) . .
C41 C42 O9 O9A -156(10) . .
C43 C42 O9 O9A 78(13) . .
O9A C42 O9 C44 130(8) . .
C41 C42 O9 C44 -26(16) . .
C43 C42 O9 C44 -152(18) . .
C43 C44 O9 O9A -106(12) . .
C43 C44 O9 C42 163(11) . .
C41 C42 O9A O9 172(3) . .
C43 C42 O9A O9 -13(3) . .
C41 C42 O9A C43 -175(3) . .
O9 C42 O9A C43 13(3) . .
O9 C42 O9A C41 -172(3) . .
C43 C42 O9A C41 175(3) . .
C43 O9 O9A C42 142(9) . .
C44 O9 O9A C42 -133(9) . .
C42 O9 O9A C43 -142(9) . .
C44 O9 O9A C43 85(14) . .
C43 O9 O9A C41 145(8) . .
C42 O9 O9A C41 3.6(15) . .
C44 O9 O9A C41 -129(9) . .
O9 C43 O9A C42 -38(9) . .
C44 C43 O9A C42 -86(5) . .
C44 C43 O9A O9 -48(10) . .
C42 C43 O9A O9 38(9) . .
O9 C43 O9A C41 -41(9) . .
C44 C43 O9A C41 -89(4) . .
C42 C43 O9A C41 -2.4(14) . .
C42 C41 O9A O9 -9(3) . .
C42 C41 O9A C43 6(3) . .
F2' P1 F1 F1' -42.8(19) . .
F5 P1 F1 F1' -115.3(18) . .
F6 P1 F1 F1' 50.9(18) . .
F3 P1 F1 F1' -114(8) . .
F6' P1 F1 F1' 76.9(14) . .
F4 P1 F1 F1' 173.8(14) . .
F2 P1 F1 F1' -13.5(14) . .
F5' P1 F1 F1' -99.6(14) . .
F4' P1 F1 F1' 134.4(18) . .
F3' P1 F1 F1' 163.3(15) . .
F2' P1 F1 F4' -177.2(17) . .
F5 P1 F1 F4' 110.3(15) . .
F6 P1 F1 F4' -83.5(14) . .
F3 P1 F1 F4' 111(8) . .
F6' P1 F1 F4' -57.6(11) . .
F4 P1 F1 F4' 39.4(11) . .
F2 P1 F1 F4' -148.0(11) . .
F5' P1 F1 F4' 126.0(11) . .
F3' P1 F1 F4' 28.9(14) . .
F1' P1 F1 F4' -134.4(18) . .
P1 F1 F1' F2 17.8(17) . .
F4' F1 F1' F2 62(3) . .
F4' F1 F1' P1 44.1(13) . .
F2' P1 F1' F1 144.4(16) . .
F5 P1 F1' F1 61.6(17) . .
F6 P1 F1' F1 -131.4(17) . .
F3 P1 F1' F1 172.8(9) . .
F6' P1 F1' F1 -102.8(14) . .
F4 P1 F1' F1 -6.9(15) . .
F2 P1 F1' F1 164.4(16) . .
F5' P1 F1' F1 80.0(13) . .
F4' P1 F1' F1 -39.5(16) . .
F3' P1 F1' F1 -43(4) . .
F2' P1 F1' F2 -20.0(10) . .
F5 P1 F1' F2 -102.8(11) . .
F6 P1 F1' F2 64.2(10) . .
F3 P1 F1' F2 8.4(14) . .
F6' P1 F1' F2 92.8(5) . .
F4 P1 F1' F2 -171.3(4) . .
F1 P1 F1' F2 -164.4(15) . .
F5' P1 F1' F2 -84.4(5) . .
F4' P1 F1' F2 156.1(11) . .
F3' P1 F1' F2 152(3) . .
F5 P1 F2 F2' -68.5(15) . .
F6 P1 F2 F2' 107.9(17) . .
F3 P1 F2 F2' 32.1(13) . .
F6' P1 F2 F2' 123.1(13) . .
F4 P1 F2 F2' -87(3) . .
F1 P1 F2 F2' -144.4(13) . .
F5' P1 F2 F2' -57.5(13) . .
F4' P1 F2 F2' 172.5(19) . .
F3' P1 F2 F2' 38.4(15) . .
F1' P1 F2 F2' -151.7(14) . .
F2' P1 F2 F1' 151.7(14) . .
F5 P1 F2 F1' 83.2(10) . .
F6 P1 F2 F1' -100.4(13) . .
F3 P1 F2 F1' -176.2(6) . .
F6' P1 F2 F1' -85.2(6) . .
F4 P1 F2 F1' 65(3) . .
F1 P1 F2 F1' 7.2(7) . .
F5' P1 F2 F1' 94.2(6) . .
F4' P1 F2 F1' -35.9(15) . .
F3' P1 F2 F1' -170.0(9) . .
F2' P1 F2 F6 -107.9(17) . .
F5 P1 F2 F6 -176.4(14) . .
F3 P1 F2 F6 -75.8(12) . .
F6' P1 F2 F6 15.2(12) . .
F4 P1 F2 F6 165(3) . .
F1 P1 F2 F6 107.7(11) . .
F5' P1 F2 F6 -165.4(12) . .
F4' P1 F2 F6 64.6(18) . .
F3' P1 F2 F6 -69.5(14) . .
F1' P1 F2 F6 100.4(13) . .
F1 F1' F2 F2' 8(3) . .
P1 F1' F2 F2' 28.6(13) . .
F1 F1' F2 P1 -20(2) . .
F1 F1' F2 F6 -76(2) . .
P1 F1' F2 F6 -55.3(10) . .
P1 F2 F2' F3 -42.6(13) . .
F1' F2 F2' F3 -70(2) . .
F6 F2 F2' F3 9(2) . .
F1' F2 F2' P1 -27.9(12) . .
F6 F2 F2' P1 52.0(10) . .
P1 F2 F2' F5' 55.7(7) . .
F1' F2 F2' F5' 27.8(14) . .
F6 F2 F2' F5' 107.7(11) . .
F5 P1 F2' F2 113.0(14) . .
F6 P1 F2' F2 -60.9(15) . .
F3 P1 F2' F2 -140.3(15) . .
F6' P1 F2' F2 -65.6(12) . .
F4 P1 F2' F2 167.9(5) . .
F1 P1 F2' F2 43.8(15) . .
F5' P1 F2' F2 111.4(13) . .
F4' P1 F2' F2 -110(15) . .
F3' P1 F2' F2 -153.0(11) . .
F1' P1 F2' F2 24.9(12) . .
F5 P1 F2' F3 -106.7(12) . .
F6 P1 F2' F3 79.4(14) . .
F6' P1 F2' F3 74.7(11) . .
F4 P1 F2' F3 -51.8(14) . .
F2 P1 F2' F3 140.3(15) . .
F1 P1 F2' F3 -176.0(4) . .
F5' P1 F2' F3 -108.4(12) . .
F4' P1 F2' F3 30(16) . .
F3' P1 F2' F3 -12.7(11) . .
F1' P1 F2' F3 165.2(8) . .
F5 P1 F2' F5' 1.6(13) . .
F6 P1 F2' F5' -172.2(15) . .
F3 P1 F2' F5' 108.4(12) . .
F6' P1 F2' F5' -177.0(4) . .
F4 P1 F2' F5' 56.6(13) . .
F2 P1 F2' F5' -111.4(13) . .
F1 P1 F2' F5' -67.6(13) . .
F4' P1 F2' F5' 139(15) . .
F3' P1 F2' F5' 95.6(10) . .
F1' P1 F2' F5' -86.5(9) . .
F2 F2' F3 F3' 70(3) . .
P1 F2' F3 F3' 25(2) . .
F5' F2' F3 F3' -32(2) . .
F2 F2' F3 P1 45.5(15) . .
F5' F2' F3 P1 -56.3(7) . .
F2' P1 F3 F3' -160.2(17) . .
F5 P1 F3 F3' -85.5(15) . .
F6 P1 F3 F3' 108.1(16) . .
F6' P1 F3 F3' 82.4(11) . .
F4 P1 F3 F3' -14.7(11) . .
F2 P1 F3 F3' 172.9(11) . .
F1 P1 F3 F3' -86(8) . .
F5' P1 F3 F3' -101.2(11) . .
F4' P1 F3 F3' 23.0(16) . .
F1' P1 F3 F3' 165.6(14) . .
F5 P1 F3 F2' 74.7(16) . .
F6 P1 F3 F2' -91.7(16) . .
F6' P1 F3 F2' -117.5(13) . .
F4 P1 F3 F2' 145.5(13) . .
F2 P1 F3 F2' -26.9(13) . .
F1 P1 F3 F2' 74(8) . .
F5' P1 F3 F2' 59.0(13) . .
F4' P1 F3 F2' -176.8(17) . .
F3' P1 F3 F2' 160.2(17) . .
F1' P1 F3 F2' -34.2(18) . .
F2' F3 F3' F4 -2(3) . .
P1 F3 F3' F4 20.5(13) . .
F2' F3 F3' P1 -22.0(18) . .
F2' P1 F3' F3 16.4(14) . .
F5 P1 F3' F3 99.7(14) . .
F6 P1 F3' F3 -68.7(13) . .
F6' P1 F3' F3 -96.5(10) . .
F4 P1 F3' F3 161.3(13) . .
F2 P1 F3' F3 -9.7(14) . .
F1 P1 F3' F3 174.6(6) . .
F5' P1 F3' F3 81.3(10) . .
F4' P1 F3' F3 -159.8(14) . .
F1' P1 F3' F3 -156(3) . .
F2' P1 F3' F4 -144.9(11) . .
F5 P1 F3' F4 -61.6(12) . .
F6 P1 F3' F4 130.0(11) . .
F3 P1 F3' F4 -161.3(13) . .
F6' P1 F3' F4 102.2(6) . .
F2 P1 F3' F4 -171.0(5) . .
F1 P1 F3' F4 13.3(11) . .
F5' P1 F3' F4 -80.0(6) . .
F4' P1 F3' F4 38.9(11) . .
F1' P1 F3' F4 43(3) . .
F3 F3' F4 F4' -78.9(19) . .
P1 F3' F4 F4' -57.6(9) . .
F3 F3' F4 P1 -21.3(14) . .
F2' P1 F4 F4' 172.4(18) . .
F5 P1 F4 F4' -128.4(17) . .
F6 P1 F4 F4' 54.8(18) . .
F3 P1 F4 F4' 131.7(14) . .
F6' P1 F4 F4' 40.6(13) . .
F2 P1 F4 F4' -109(3) . .
F1 P1 F4 F4' -51.7(14) . .
F5' P1 F4 F4' -138.6(14) . .
F3' P1 F4 F4' 119.7(15) . .
F1' P1 F4 F4' -48.4(14) . .
F2' P1 F4 F3' 52.7(14) . .
F5 P1 F4 F3' 111.9(12) . .
F6 P1 F4 F3' -64.9(14) . .
F3 P1 F4 F3' 12.0(8) . .
F6' P1 F4 F3' -79.1(7) . .
F2 P1 F4 F3' 131(3) . .
F1 P1 F4 F3' -171.4(7) . .
F5' P1 F4 F3' 101.7(8) . .
F4' P1 F4 F3' -119.7(15) . .
F1' P1 F4 F3' -168.1(9) . .
F3' F4 F4' P1 55.4(9) . .
F3' F4 F4' F6' 15.9(15) . .
P1 F4 F4' F6' -39.5(7) . .
F3' F4 F4' F1 105.4(13) . .
P1 F4 F4' F1 50.0(7) . .
F2' P1 F4' F4 -88(15) . .
F5 P1 F4' F4 49.0(14) . .
F6 P1 F4' F4 -136.3(16) . .
F3 P1 F4' F4 -58.7(15) . .
F6' P1 F4' F4 -133.6(12) . .
F2 P1 F4' F4 168.0(5) . .
F1 P1 F4' F4 117.5(14) . .
F5' P1 F4' F4 49.4(12) . .
F3' P1 F4' F4 -43.9(11) . .
F1' P1 F4' F4 137.1(12) . .
F2' P1 F4' F6' 46(15) . .
F5 P1 F4' F6' -177.4(10) . .
F6 P1 F4' F6' -2.7(13) . .
F3 P1 F4' F6' 74.8(7) . .
F4 P1 F4' F6' 133.6(12) . .
F2 P1 F4' F6' -58.4(13) . .
F1 P1 F4' F6' -108.9(7) . .
F5' P1 F4' F6' -177.1(4) . .
F3' P1 F4' F6' 89.7(8) . .
F1' P1 F4' F6' -89.3(6) . .
F2' P1 F4' F1 155(15) . .
F5 P1 F4' F1 -68.5(11) . .
F6 P1 F4' F1 106.3(13) . .
F3 P1 F4' F1 -176.2(4) . .
F6' P1 F4' F1 108.9(7) . .
F4 P1 F4' F1 -117.5(14) . .
F2 P1 F4' F1 50.6(15) . .
F5' P1 F4' F1 -68.1(7) . .
F3' P1 F4' F1 -161.4(10) . .
F1' P1 F4' F1 19.6(6) . .
F1' F1 F4' F4 -107(2) . .
P1 F1 F4' F4 -54.5(8) . .
F1' F1 F4' P1 -52.1(19) . .
F1' F1 F4' F6' 0(2) . .
P1 F1 F4' F6' 52.6(4) . .
F2' P1 F5 F5' -5(4) . .
F6 P1 F5 F5' 22(9) . .
F3 P1 F5 F5' -58(4) . .
F6' P1 F5 F5' 170.7(13) . .
F4 P1 F5 F5' -146(4) . .
F2 P1 F5 F5' 37(4) . .
F1 P1 F5 F5' 121(4) . .
F4' P1 F5 F5' 179(4) . .
F3' P1 F5 F5' -99(4) . .
F1' P1 F5 F5' 97(4) . .
P1 F5 F5' F2' 5(4) . .
F2' P1 F5' F5 175(4) . .
F6 P1 F5' F5 -170(4) . .
F3 P1 F5' F5 123(4) . .
F6' P1 F5' F5 -135(6) . .
F4 P1 F5' F5 32(4) . .
F2 P1 F5' F5 -144(4) . .
F1 P1 F5' F5 -56(4) . .
F4' P1 F5' F5 -1(4) . .
F3' P1 F5' F5 83(4) . .
F1' P1 F5' F5 -84(4) . .
F5 P1 F5' F2' -175(4) . .
F6 P1 F5' F2' 15(3) . .
F3 P1 F5' F2' -52.0(14) . .
F6' P1 F5' F2' 51(7) . .
F4 P1 F5' F2' -143.0(14) . .
F2 P1 F5' F2' 41.3(13) . .
F1 P1 F5' F2' 128.9(14) . .
F4' P1 F5' F2' -175.9(15) . .
F3' P1 F5' F2' -91.8(16) . .
F1' P1 F5' F2' 101.5(15) . .
F2 F2' F5' F5 -70(5) . .
F3 F2' F5' F5 53(5) . .
P1 F2' F5' F5 -6(5) . .
F2 F2' F5' P1 -63.7(9) . .
F3 F2' F5' P1 58.8(7) . .
F2' P1 F6 F6' -171(3) . .
F5 P1 F6 F6' 162(5) . .
F3 P1 F6 F6' -114(3) . .
F4 P1 F6 F6' -31(3) . .
F2 P1 F6 F6' 147(3) . .
F1 P1 F6 F6' 66(3) . .
F5' P1 F6 F6' 175.6(9) . .
F4' P1 F6 F6' 5(2) . .
F3' P1 F6 F6' -76(2) . .
F1' P1 F6 F6' 88(2) . .
F2' P1 F6 F2 42.4(12) . .
F5 P1 F6 F2 15(6) . .
F3 P1 F6 F2 98.8(7) . .
F6' P1 F6 F2 -147(3) . .
F4 P1 F6 F2 -177.4(5) . .
F1 P1 F6 F2 -80.3(6) . .
F5' P1 F6 F2 29(2) . .
F4' P1 F6 F2 -141.7(8) . .
F3' P1 F6 F2 136.9(9) . .
F1' P1 F6 F2 -59.0(8) . .
F2' F2 F6 F6' -99(4) . .
P1 F2 F6 F6' -41(3) . .
F1' F2 F6 F6' 20(4) . .
F2' F2 F6 P1 -58.1(12) . .
F1' F2 F6 P1 60.1(7) . .
F2 F6 F6' P1 35(2) . .
P1 F6 F6' F4' -7(3) . .
F2 F6 F6' F4' 28(6) . .
F2' P1 F6' F6 10(3) . .
F5 P1 F6' F6 -165(4) . .
F3 P1 F6' F6 63(3) . .
F4 P1 F6' F6 154(3) . .
F2 P1 F6' F6 -30(3) . .
F1 P1 F6' F6 -118(3) . .
F5' P1 F6' F6 -39(8) . .
F4' P1 F6' F6 -174(3) . .
F3' P1 F6' F6 103(3) . .
F1' P1 F6' F6 -90(3) . .
F2' P1 F6' F4' -175.7(14) . .
F5 P1 F6' F4' 9(4) . .
F6 P1 F6' F4' 174(3) . .
F3 P1 F6' F4' -122.5(7) . .
F4 P1 F6' F4' -31.4(7) . .
F2 P1 F6' F4' 144.2(7) . .
F1 P1 F6' F4' 56.8(7) . .
F5' P1 F6' F4' 135(7) . .
F3' P1 F6' F4' -82.4(10) . .
F1' P1 F6' F4' 83.9(9) . .
F4 F4' F6' F6 51(4) . .
P1 F4' F6' F6 8(4) . .
F1 F4' F6' F6 -46(4) . .
F4 F4' F6' P1 43.6(10) . .
F1 F4' F6' P1 -54.1(6) . .
