#------------------------------------------------------------------------------
#$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $
#$Revision: 176729 $
#$URL: svn://www.crystallography.net/cod/cif/1/50/62/1506267.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_1506267
loop_
_publ_author_name
'Salorinne, Kirsi'
'Nissinen, Maija'
_publ_section_title
;
 Novel tetramethoxy resorcinarene bis-crown ethers.
;
_journal_issue                   24
_journal_name_full               'Organic letters'
_journal_page_first              5473
_journal_page_last               5476
_journal_paper_doi               10.1021/ol062138d
_journal_volume                  8
_journal_year                    2006
_chemical_formula_sum            'C60 H84 F12 K2 N2 O15 P2'
_chemical_formula_weight         1441.43
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 91.800(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   17.3738(6)
_cell_length_b                   15.9352(5)
_cell_length_c                   24.4132(8)
_cell_measurement_temperature    173(2)
_cell_volume                     6755.6(4)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.976
_diffrn_measured_fraction_theta_max 0.976
_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  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0438
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            11784
_diffrn_reflns_theta_full        67.15
_diffrn_reflns_theta_max         67.15
_diffrn_reflns_theta_min         3.31
_exptl_absorpt_coefficient_mu    2.540
_exptl_absorpt_correction_T_max  0.8835
_exptl_absorpt_correction_T_min  0.7019
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details
'Denzo (Otwinowski, Borek, Majewski & Minor, 2003)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.417
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3016
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.766
_refine_diff_density_min         -0.749
_refine_diff_density_rms         0.104
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     907
_refine_ls_number_reflns         11784
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.053
_refine_ls_R_factor_all          0.0962
_refine_ls_R_factor_gt           0.0764
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1369P)²+8.2455P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2042
_refine_ls_wR_factor_ref         0.2226
_reflns_number_gt                9155
_reflns_number_total             11784
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ol062138dsi20060830_015533.cif
_cod_data_source_block           BC5KPF6
_cod_original_sg_symbol_H-M      P21/c
_cod_database_code               1506267
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, 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
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.0025(2) 0.2010(2) 0.27333(14) 0.0249(7) Uani 1 1 d . . .
C2 C 0.0741(2) 0.2399(2) 0.26922(14) 0.0248(7) Uani 1 1 d . . .
H2 H 0.0812 0.2931 0.2861 0.030 Uiso 1 1 calc R . .
C3 C 0.1361(2) 0.2052(2) 0.24178(14) 0.0239(7) Uani 1 1 d . . .
C4 C 0.1231(2) 0.1278(2) 0.21632(14) 0.0269(8) Uani 1 1 d . B .
C5 C 0.0518(2) 0.0881(2) 0.21806(15) 0.0305(8) Uani 1 1 d . . .
H5 H 0.0436 0.0362 0.1996 0.037 Uiso 1 1 calc R . .
C6 C -0.0073(2) 0.1243(2) 0.24676(15) 0.0274(8) Uani 1 1 d . . .
C7 C 0.2151(2) 0.2456(2) 0.23995(15) 0.0265(8) Uani 1 1 d . . .
H7 H 0.2536 0.1991 0.2433 0.032 Uiso 1 1 calc R . .
C8 C 0.2285(2) 0.2890(2) 0.18536(14) 0.0265(8) Uani 1 1 d . . .
C9 C 0.1703(2) 0.3313(2) 0.15706(14) 0.0250(7) Uani 1 1 d . . .
H9 H 0.1195 0.3280 0.1702 0.030 Uiso 1 1 calc R . .
C10 C 0.1827(2) 0.3790(2) 0.10977(15) 0.0258(7) Uani 1 1 d . . .
C11 C 0.2585(2) 0.3839(2) 0.09232(15) 0.0284(8) Uani 1 1 d . . .
C12 C 0.3181(2) 0.3404(3) 0.11878(16) 0.0324(8) Uani 1 1 d . . .
H12 H 0.3689 0.3433 0.1056 0.039 Uiso 1 1 calc R . .
C13 C 0.3028(2) 0.2928(2) 0.16464(15) 0.0291(8) Uani 1 1 d . . .
C14 C 0.1186(2) 0.4246(2) 0.07872(15) 0.0254(7) Uani 1 1 d . . .
H14 H 0.1327 0.4233 0.0393 0.030 Uiso 1 1 calc R . .
C15 C 0.0420(2) 0.3799(2) 0.08135(14) 0.0241(7) Uani 1 1 d . . .
C16 C -0.0188(2) 0.4083(2) 0.11168(14) 0.0258(7) Uani 1 1 d . . .
H16 H -0.0108 0.4559 0.1346 0.031 Uiso 1 1 calc R . .
C17 C -0.0913(2) 0.3704(2) 0.11013(14) 0.0238(7) Uani 1 1 d . . .
C18 C -0.1005(2) 0.3005(2) 0.07673(14) 0.0252(7) Uani 1 1 d . . .
C19 C -0.0414(2) 0.2673(2) 0.04698(15) 0.0282(8) Uani 1 1 d . . .
H19 H -0.0491 0.2181 0.0255 0.034 Uiso 1 1 calc R . .
C20 C 0.0299(2) 0.3078(2) 0.04918(14) 0.0254(7) Uani 1 1 d . B .
C21 C -0.1597(2) 0.4027(2) 0.14152(14) 0.0256(7) Uani 1 1 d . . .
H21 H -0.2058 0.3989 0.1161 0.031 Uiso 1 1 calc R . .
C22 C -0.1761(2) 0.3476(2) 0.19061(14) 0.0250(7) Uani 1 1 d . C .
C23 C -0.1173(2) 0.3148(2) 0.22398(14) 0.0254(7) Uani 1 1 d . . .
H23 H -0.0655 0.3258 0.2147 0.030 Uiso 1 1 calc R . .
C24 C -0.1305(2) 0.2663(2) 0.27047(15) 0.0255(7) Uani 1 1 d . . .
C25 C -0.2063(2) 0.2500(2) 0.28292(15) 0.0281(8) Uani 1 1 d . C .
C26 C -0.2673(2) 0.2810(2) 0.25023(16) 0.0303(8) Uani 1 1 d . C .
H26 H -0.3189 0.2686 0.2591 0.036 Uiso 1 1 calc R . .
C27 C -0.2523(2) 0.3302(2) 0.20475(15) 0.0295(8) Uani 1 1 d . C .
C28 C -0.0627(2) 0.2363(2) 0.30680(15) 0.0275(8) Uani 1 1 d . . .
H28 H -0.0820 0.1894 0.3298 0.033 Uiso 1 1 calc R . .
C29 C 0.2348(2) 0.3081(2) 0.28650(15) 0.0305(8) Uani 1 1 d . . .
H29A H 0.2845 0.3354 0.2788 0.037 Uiso 1 1 calc R . .
H29B H 0.1948 0.3524 0.2865 0.037 Uiso 1 1 calc R . .
C30 C 0.2405(3) 0.2690(3) 0.34314(16) 0.0394(10) Uani 1 1 d . . .
H30A H 0.1893 0.2508 0.3540 0.059 Uiso 1 1 calc R . .
H30B H 0.2608 0.3104 0.3695 0.059 Uiso 1 1 calc R . .
H30C H 0.2751 0.2204 0.3425 0.059 Uiso 1 1 calc R . .
C31 C 0.1165(2) 0.5182(2) 0.09476(16) 0.0304(8) Uani 1 1 d . . .
H31A H 0.0953 0.5234 0.1318 0.036 Uiso 1 1 calc R . .
H31B H 0.1698 0.5403 0.0965 0.036 Uiso 1 1 calc R . .
C32 C 0.0683(3) 0.5711(3) 0.05476(18) 0.0402(10) Uani 1 1 d . . .
H32A H 0.0879 0.5648 0.0178 0.060 Uiso 1 1 calc R . .
H32B H 0.0714 0.6302 0.0657 0.060 Uiso 1 1 calc R . .
H32C H 0.0145 0.5525 0.0550 0.060 Uiso 1 1 calc R . .
C33 C -0.1526(2) 0.4951(2) 0.15929(17) 0.0350(9) Uani 1 1 d . . .
H33A H -0.1963 0.5093 0.1826 0.042 Uiso 1 1 calc R . .
H33B H -0.1046 0.5022 0.1817 0.042 Uiso 1 1 calc R . .
C34 C -0.1517(3) 0.5549(3) 0.1123(2) 0.0606(14) Uani 1 1 d . . .
H34A H -0.1093 0.5406 0.0885 0.091 Uiso 1 1 calc R . .
H34B H -0.1445 0.6122 0.1262 0.091 Uiso 1 1 calc R . .
H34C H -0.2007 0.5514 0.0914 0.091 Uiso 1 1 calc R . .
C35 C -0.0364(2) 0.3073(2) 0.34633(15) 0.0301(8) Uani 1 1 d . . .
H35A H 0.0133 0.2911 0.3643 0.036 Uiso 1 1 calc R . .
H35B H -0.0274 0.3588 0.3248 0.036 Uiso 1 1 calc R . .
C36 C -0.0938(2) 0.3268(3) 0.39022(16) 0.0340(9) Uani 1 1 d . . .
H36A H -0.1433 0.3424 0.3728 0.051 Uiso 1 1 calc R . .
H36B H -0.0745 0.3734 0.4129 0.051 Uiso 1 1 calc R . .
H36C H -0.1006 0.2771 0.4133 0.051 Uiso 1 1 calc R . .
C37 C -0.0838(3) -0.0009(3) 0.23757(19) 0.0409(10) Uani 1 1 d . . .
H37A H -0.0744 -0.0094 0.1986 0.061 Uiso 1 1 calc R . .
H37B H -0.1354 -0.0213 0.2458 0.061 Uiso 1 1 calc R . .
H37C H -0.0453 -0.0319 0.2596 0.061 Uiso 1 1 calc R . .
C38 C 0.4342(3) 0.2477(4) 0.1721(2) 0.0605(15) Uani 1 1 d . . .
H38A H 0.4334 0.2226 0.1354 0.091 Uiso 1 1 calc R . .
H38B H 0.4688 0.2155 0.1966 0.091 Uiso 1 1 calc R . .
H38C H 0.4524 0.3058 0.1700 0.091 Uiso 1 1 calc R . .
C39 C 0.0759(2) 0.2399(3) -0.03052(17) 0.0367(9) Uani 1 1 d . B .
H39A H 0.0491 0.1868 -0.0243 0.055 Uiso 1 1 calc R . .
H39B H 0.1242 0.2289 -0.0490 0.055 Uiso 1 1 calc R . .
H39C H 0.0432 0.2767 -0.0535 0.055 Uiso 1 1 calc R . .
C40 C -0.3863(2) 0.3418(3) 0.18001(19) 0.0401(10) Uani 1 1 d . . .
H40A H -0.3922 0.2806 0.1790 0.060 Uiso 1 1 calc R . .
H40B H -0.4199 0.3672 0.1516 0.060 Uiso 1 1 calc R . .
H40C H -0.4004 0.3628 0.2160 0.060 Uiso 1 1 calc R . .
C41 C 0.1805(2) 0.0049(2) 0.17892(17) 0.0317(8) Uani 1 1 d . B .
H41A H 0.1414 -0.0065 0.1495 0.038 Uiso 1 1 calc R . .
H41B H 0.1659 -0.0259 0.2122 0.038 Uiso 1 1 calc R . .
C42 C 0.2585(2) -0.0225(3) 0.16148(19) 0.0393(10) Uani 1 1 d . . .
H42A H 0.2983 -0.0033 0.1886 0.047 Uiso 1 1 calc R A 1
H42B H 0.2605 -0.0846 0.1597 0.047 Uiso 1 1 calc R A 1
O43A O 0.2731(2) 0.0111(2) 0.11018(15) 0.0603(10) Uani 0.762(9) 1 d P B 1
C44A C 0.3523(3) -0.0122(4) 0.0961(3) 0.0458(15) Uani 0.762(9) 1 d P B 1
H44A H 0.3900 0.0141 0.1220 0.055 Uiso 0.762(9) 1 calc PR B 1
H44B H 0.3588 -0.0739 0.0980 0.055 Uiso 0.762(9) 1 calc PR B 1
C45A C 0.3641(4) 0.0168(4) 0.0416(3) 0.0750(19) Uani 0.762(9) 1 d P B 1
H45A H 0.3227 -0.0047 0.0165 0.090 Uiso 0.762(9) 1 calc PR B 1
H45B H 0.4141 -0.0040 0.0287 0.090 Uiso 0.762(9) 1 calc PR B 1
O43B O 0.2731(2) 0.0111(2) 0.11018(15) 0.0603(10) Uani 0.238(9) 1 d P B 2
C44B C 0.3118(12) -0.0301(13) 0.0658(9) 0.0458(15) Uani 0.238(9) 1 d P B 2
H44C H 0.3373 -0.0814 0.0804 0.055 Uiso 0.238(9) 1 calc PR B 2
H44D H 0.2726 -0.0479 0.0379 0.055 Uiso 0.238(9) 1 calc PR B 2
C45B C 0.3641(4) 0.0168(4) 0.0416(3) 0.0750(19) Uani 0.238(9) 1 d P B 2
H45C H 0.3634 -0.0006 0.0027 0.090 Uiso 0.238(9) 1 calc PR B 2
H45D H 0.4148 -0.0004 0.0575 0.090 Uiso 0.238(9) 1 calc PR B 2
C47 C 0.3771(3) 0.1347(3) -0.0121(2) 0.0565(13) Uani 1 1 d . B .
H47A H 0.3378 0.1112 -0.0380 0.068 Uiso 1 1 calc R . .
H47B H 0.4285 0.1156 -0.0234 0.068 Uiso 1 1 calc R . .
C48 C 0.3735(3) 0.2279(3) -0.0131(2) 0.0543(12) Uani 1 1 d . B .
H48A H 0.4099 0.2514 0.0150 0.065 Uiso 1 1 calc R . .
H48B H 0.3884 0.2489 -0.0494 0.065 Uiso 1 1 calc R . .
C50 C 0.2799(3) 0.3342(3) -0.02516(18) 0.0459(11) Uani 1 1 d . B .
H50A H 0.2234 0.3419 -0.0259 0.055 Uiso 1 1 calc R . .
H50B H 0.2966 0.3349 -0.0636 0.055 Uiso 1 1 calc R . .
C51 C 0.3170(2) 0.4077(3) 0.00490(17) 0.0377(9) Uani 1 1 d . . .
H51A H 0.3683 0.3904 0.0196 0.045 Uiso 1 1 calc R . .
H51B H 0.3245 0.4540 -0.0214 0.045 Uiso 1 1 calc R . .
C52 C -0.2093(2) 0.2568(3) 0.02115(17) 0.0392(10) Uani 1 1 d . . .
H52A H -0.1928 0.2047 0.0029 0.047 Uiso 1 1 calc R . .
H52B H -0.1943 0.3052 -0.0016 0.047 Uiso 1 1 calc R . .
C53 C -0.2944(3) 0.2562(3) 0.0271(2) 0.0473(11) Uani 1 1 d . . .
H53A H -0.3109 0.3080 0.0457 0.057 Uiso 1 1 calc R . .
H53B H -0.3206 0.2538 -0.0095 0.057 Uiso 1 1 calc R . .
C55 C -0.3950(2) 0.1744(3) 0.0617(2) 0.0444(10) Uani 1 1 d . . .
H55A H -0.4188 0.1691 0.0244 0.053 Uiso 1 1 calc R . .
H55B H -0.4178 0.2237 0.0797 0.053 Uiso 1 1 calc R . .
C56 C -0.4101(3) 0.0963(3) 0.09433(19) 0.0464(11) Uani 1 1 d . . .
H56A H -0.4661 0.0848 0.0943 0.056 Uiso 1 1 calc R . .
H56B H -0.3842 0.0477 0.0776 0.056 Uiso 1 1 calc R . .
C58 C -0.3915(3) 0.0335(3) 0.1805(2) 0.0535(12) Uani 1 1 d . . .
H58A H -0.3575 -0.0114 0.1670 0.064 Uiso 1 1 calc R . .
H58B H -0.4454 0.0139 0.1766 0.064 Uiso 1 1 calc R . .
C59 C -0.3720(3) 0.0516(3) 0.2391(2) 0.0510(12) Uani 1 1 d . . .
H59A H -0.4019 0.1006 0.2514 0.061 Uiso 1 1 calc R . .
H59B H -0.3855 0.0027 0.2619 0.061 Uiso 1 1 calc R . .
C61 C -0.2649(3) 0.0680(3) 0.30192(18) 0.0429(10) Uani 1 1 d . . .
H61A H -0.2087 0.0573 0.3037 0.052 Uiso 1 1 calc R . .
H61B H -0.2903 0.0207 0.3205 0.052 Uiso 1 1 calc R . .
C62 C -0.2809(2) 0.1479(3) 0.33302(17) 0.0355(9) Uani 1 1 d . . .
H62A H -0.3281 0.1745 0.3173 0.043 Uiso 1 1 calc R . .
H62B H -0.2902 0.1340 0.3718 0.043 Uiso 1 1 calc R . .
O4 O 0.18451(15) 0.09335(16) 0.18998(11) 0.0318(6) Uani 1 1 d . . .
O6 O -0.07839(16) 0.08697(17) 0.25035(12) 0.0385(7) Uani 1 1 d . . .
O11 O 0.27164(16) 0.43805(17) 0.04954(11) 0.0344(6) Uani 1 1 d . . .
O13 O 0.35845(15) 0.2466(2) 0.19273(12) 0.0405(7) Uani 1 1 d . . .
O18 O -0.17284(15) 0.26296(16) 0.07469(11) 0.0307(6) Uani 1 1 d . C .
O20 O 0.09245(15) 0.27993(17) 0.02093(11) 0.0322(6) Uani 1 1 d . . .
O25 O -0.21816(15) 0.20611(19) 0.33071(11) 0.0366(6) Uani 1 1 d . . .
O27 O -0.30800(15) 0.36316(18) 0.17037(12) 0.0377(7) Uani 1 1 d . . .
O46 O 0.3634(2) 0.1065(2) 0.04170(16) 0.0563(9) Uani 1 1 d . . .
O49 O 0.29738(18) 0.25372(19) -0.00222(12) 0.0437(7) Uani 1 1 d . . .
O54 O -0.31459(16) 0.18478(18) 0.05836(12) 0.0401(7) Uani 1 1 d . C .
O57 O -0.38171(18) 0.10799(19) 0.14871(12) 0.0423(7) Uani 1 1 d . C .
O60 O -0.29044(17) 0.06899(19) 0.24553(12) 0.0423(7) Uani 1 1 d . C .
K1 K -0.22137(5) 0.14889(5) 0.15475(4) 0.0362(2) Uani 1 1 d . C .
P1 P -0.14132(6) -0.00739(7) 0.06518(5) 0.0385(3) Uani 1 1 d . . .
F11 F -0.18013(16) -0.07697(17) 0.02619(11) 0.0527(7) Uani 1 1 d . . .
F12A F -0.1185(3) -0.0783(2) 0.10791(15) 0.0670(12) Uani 0.893(5) 1 d P C 1
F13A F -0.2211(2) 0.0043(3) 0.0950(2) 0.0764(14) Uani 0.893(5) 1 d P C 1
F14A F -0.0625(2) -0.0206(3) 0.03625(18) 0.0780(14) Uani 0.893(5) 1 d P C 1
F15A F -0.1650(4) 0.0621(2) 0.0225(2) 0.0959(19) Uani 0.893(5) 1 d P C 1
F12B F -0.072(3) -0.0604(19) 0.0900(14) 0.0670(12) Uani 0.107(5) 1 d P C 2
F13B F -0.187(2) -0.022(2) 0.1167(18) 0.0764(14) Uani 0.107(5) 1 d P C 2
F14B F -0.089(2) 0.034(3) 0.0197(16) 0.0780(14) Uani 0.107(5) 1 d P C 2
F15B F -0.1992(18) 0.059(2) 0.0545(18) 0.0780(14) Uani 0.107(5) 1 d P C 2
F16 F -0.10239(16) 0.06381(17) 0.10479(12) 0.0528(7) Uani 1 1 d . C .
K2 K 0.21133(5) 0.16444(5) 0.07333(3) 0.0342(2) Uani 1 1 d . . .
P2 P -0.51335(7) -0.19090(7) 0.16001(5) 0.0434(3) Uani 1 1 d . . .
F21 F -0.4896(2) -0.1229(2) 0.11611(13) 0.0702(9) Uani 1 1 d . D .
F22A F -0.5580(8) -0.1176(7) 0.1873(5) 0.070(3) Uani 0.60 1 d P D 1
F23A F -0.5895(7) -0.2149(9) 0.1246(6) 0.070(3) Uani 0.60 1 d P D 1
F24A F -0.4704(9) -0.2632(6) 0.1306(6) 0.081(4) Uani 0.60 1 d P D 1
F25A F -0.4396(7) -0.1655(9) 0.1942(6) 0.089(4) Uani 0.60 1 d P D 1
F22B F -0.5784(13) -0.1337(14) 0.1840(10) 0.131(11) Uani 0.40 1 d P D 2
F23B F -0.5665(16) -0.2227(18) 0.1144(12) 0.147(13) Uani 0.40 1 d P D 2
F24B F -0.4443(18) -0.2472(19) 0.1435(13) 0.173(15) Uani 0.40 1 d P D 2
F25B F -0.4578(14) -0.1600(17) 0.2069(9) 0.129(11) Uani 0.40 1 d P D 2
F26 F -0.53928(18) -0.2577(2) 0.20484(13) 0.0663(8) Uani 1 1 d . D .
O70 O 0.0699(2) 0.0898(2) 0.07825(15) 0.0499(8) Uani 1 1 d . . .
H70A H 0.023(4) 0.093(4) 0.095(3) 0.075 Uiso 1 1 d . . .
H70B H 0.060(4) 0.058(4) 0.046(3) 0.075 Uiso 1 1 d . . .
N83 N 0.3746(5) 0.0451(4) 0.3817(3) 0.116(3) Uani 1 1 d . . .
C82 C 0.3864(4) 0.0627(4) 0.3373(3) 0.0721(16) Uani 1 1 d . . .
C81 C 0.3999(5) 0.0840(5) 0.2827(3) 0.094(2) Uani 1 1 d . . .
H81A H 0.4439 0.1223 0.2815 0.140 Uiso 1 1 calc R . .
H81B H 0.3542 0.1114 0.2665 0.140 Uiso 1 1 calc R . .
H81C H 0.4111 0.0330 0.2619 0.140 Uiso 1 1 calc R . .
C91 C -0.4338(5) 0.0820(5) 0.4412(4) 0.105(3) Uani 1 1 d . . .
H91A H -0.4650 0.0356 0.4262 0.158 Uiso 1 1 calc R . .
H91B H -0.3796 0.0652 0.4433 0.158 Uiso 1 1 calc R . .
H91C H -0.4398 0.1311 0.4173 0.158 Uiso 1 1 calc R . .
C92 C -0.4592(4) 0.1027(4) 0.4955(5) 0.081(2) Uani 1 1 d . . .
N93 N -0.4807(4) 0.1180(4) 0.5375(4) 0.096(2) Uani 1 1 d . . .
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'
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'
K K 0.3868 1.0657 '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'
N N 0.0311 0.0180 '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
C6 C1 C2 116.9(3) . .
C6 C1 C28 119.4(3) . .
C2 C1 C28 123.6(3) . .
C1 C2 C3 124.0(3) . .
C4 C3 C2 116.4(3) . .
C4 C3 C7 119.8(3) . .
C2 C3 C7 123.8(3) . .
O4 C4 C5 122.5(3) . .
O4 C4 C3 116.2(3) . .
C5 C4 C3 121.3(3) . .
C6 C5 C4 120.0(3) . .
O6 C6 C5 122.2(3) . .
O6 C6 C1 116.6(3) . .
C5 C6 C1 121.3(3) . .
C3 C7 C8 112.4(3) . .
C3 C7 C29 115.7(3) . .
C8 C7 C29 108.3(3) . .
C9 C8 C13 117.8(3) . .
C9 C8 C7 121.9(3) . .
C13 C8 C7 120.2(3) . .
C9 C8 K2 80.7(2) . .
C13 C8 K2 78.0(2) . .
C7 C8 K2 115.3(2) . .
C8 C9 C10 123.1(3) . .
C8 C9 K2 76.0(2) . .
C10 C9 K2 83.7(2) . .
C11 C10 C9 116.8(3) . .
C11 C10 C14 120.4(3) . .
C9 C10 C14 122.8(3) . .
O11 C11 C12 121.7(3) . .
O11 C11 C10 116.5(3) . .
C12 C11 C10 121.7(3) . .
C13 C12 C11 119.3(3) . .
C13 C12 K2 72.9(2) . .
C11 C12 K2 82.7(2) . .
O13 C13 C12 122.9(3) . .
O13 C13 C8 115.9(3) . .
C12 C13 C8 121.2(3) . .
O13 C13 K2 108.2(2) . .
C12 C13 K2 84.1(2) . .
C8 C13 K2 78.1(2) . .
C15 C14 C10 112.8(3) . .
C15 C14 C31 114.6(3) . .
C10 C14 C31 111.1(3) . .
C16 C15 C20 117.7(3) . .
C16 C15 C14 123.7(3) . .
C20 C15 C14 118.6(3) . .
C15 C16 C17 123.1(3) . .
C18 C17 C16 116.8(3) . .
C18 C17 C21 119.4(3) . .
C16 C17 C21 123.8(3) . .
C19 C18 C17 122.9(3) . .
C19 C18 O18 120.2(3) . .
C17 C18 O18 116.9(3) . .
C18 C19 C20 118.4(3) . .
O20 C20 C19 123.0(3) . .
O20 C20 C15 115.9(3) . .
C19 C20 C15 121.1(3) . .
C22 C21 C17 111.7(3) . .
C22 C21 C33 110.3(3) . .
C17 C21 C33 114.1(3) . .
C23 C22 C27 117.5(3) . .
C23 C22 C21 121.8(3) . .
C27 C22 C21 120.6(3) . .
C23 C22 K1 87.7(2) . .
C27 C22 K1 70.4(2) . .
C21 C22 K1 112.7(2) . .
C22 C23 C24 123.2(3) . .
C25 C24 C23 117.6(3) . .
C25 C24 C28 122.3(3) . .
C23 C24 C28 120.1(3) . .
O25 C25 C24 116.6(3) . .
O25 C25 C26 122.1(3) . .
C24 C25 C26 121.2(3) . .
O25 C25 K1 120.6(2) . .
C24 C25 K1 86.3(2) . .
C26 C25 K1 67.7(2) . .
C27 C26 C25 119.8(3) . .
C27 C26 K1 74.7(2) . .
C25 C26 K1 89.0(2) . .
O27 C27 C26 124.0(3) . .
O27 C27 C22 115.3(3) . .
C26 C27 C22 120.7(3) . .
O27 C27 K1 103.8(2) . .
C26 C27 K1 80.4(2) . .
C22 C27 K1 85.1(2) . .
C1 C28 C24 112.1(3) . .
C1 C28 C35 113.2(3) . .
C24 C28 C35 109.9(3) . .
C30 C29 C7 114.3(3) . .
C32 C31 C14 113.0(3) . .
C34 C33 C21 113.4(4) . .
C36 C35 C28 113.7(3) . .
O4 C41 C42 107.5(3) . .
O43A C42 C41 109.6(3) . .
C42 O43A C44A 108.1(4) . .
C42 O43A K2 123.0(2) . .
C44A O43A K2 119.7(3) . .
C45A C44A O43A 107.3(5) . .
C44A C45A O46 108.7(5) . .
O46 C47 C48 108.9(4) . .
O49 C48 C47 109.0(4) . .
O49 C50 C51 115.0(4) . .
O11 C51 C50 113.0(3) . .
O18 C52 C53 108.8(4) . .
O54 C53 C52 108.7(4) . .
O54 C55 C56 108.4(4) . .
O57 C56 C55 109.2(4) . .
O57 C58 C59 109.4(4) . .
O60 C59 C58 109.5(4) . .
O60 C61 C62 114.6(3) . .
O25 C62 C61 111.9(3) . .
C4 O4 C41 116.4(3) . .
C4 O4 K2 115.0(2) . .
C41 O4 K2 101.1(2) . .
C6 O6 C37 117.4(3) . .
C11 O11 C51 117.9(3) . .
C13 O13 C38 117.3(3) . .
C18 O18 C52 115.7(3) . .
C18 O18 K1 122.8(2) . .
C52 O18 K1 117.0(2) . .
C20 O20 C39 116.3(3) . .
C20 O20 K2 121.6(2) . .
C39 O20 K2 102.5(2) . .
C25 O25 C62 119.7(3) . .
C27 O27 C40 117.8(3) . .
C47 O46 C45A 108.4(4) . .
C47 O46 K2 108.9(3) . .
C45A O46 K2 108.9(3) . .
C48 O49 C50 112.0(4) . .
C48 O49 K2 119.8(3) . .
C50 O49 K2 127.1(3) . .
C55 O54 C53 112.7(3) . .
C55 O54 K1 117.6(3) . .
C53 O54 K1 117.3(2) . .
C56 O57 C58 110.9(3) . .
C56 O57 K1 112.9(2) . .
C58 O57 K1 107.0(3) . .
C61 O60 C59 112.0(3) . .
C61 O60 K1 128.8(2) . .
C59 O60 K1 115.8(3) . .
F13A K1 F16 48.75(9) . .
F13A K1 O18 99.69(12) . .
F16 K1 O18 76.58(8) . .
F13A K1 O60 92.66(12) . .
F16 K1 O60 117.32(9) . .
O18 K1 O60 165.72(9) . .
F13A K1 O57 78.35(10) . .
F16 K1 O57 126.98(9) . .
O18 K1 O57 115.05(9) . .
O60 K1 O57 60.37(9) . .
F13A K1 F15B 28.5(9) . .
F16 K1 F15B 42.5(7) . .
O18 K1 F15B 71.2(9) . .
O60 K1 F15B 120.8(9) . .
O57 K1 F15B 90.0(6) . .
F13A K1 O54 74.95(14) . .
F16 K1 O54 98.36(9) . .
O18 K1 O54 58.43(8) . .
O60 K1 O54 119.02(9) . .
O57 K1 O54 58.66(8) . .
F15B K1 O54 59.2(9) . .
F13A K1 F13B 17.5(9) . .
F16 K1 F13B 41.6(7) . .
O18 K1 F13B 108.1(9) . .
O60 K1 F13B 85.7(8) . .
O57 K1 F13B 88.7(7) . .
F15B K1 F13B 40.3(13) . .
O54 K1 F13B 92.3(9) . .
F13A K1 C27 166.78(14) . .
F16 K1 C27 138.15(9) . .
O18 K1 C27 74.85(9) . .
O60 K1 C27 91.54(10) . .
O57 K1 C27 92.91(10) . .
F15B K1 C27 143.7(10) . .
O54 K1 C27 92.06(9) . .
F13B K1 C27 175.6(10) . .
F13A K1 C26 158.92(11) . .
F16 K1 C26 146.05(9) . .
O18 K1 C26 99.48(9) . .
O60 K1 C26 67.31(9) . .
O57 K1 C26 85.65(9) . .
F15B K1 C26 166.9(10) . .
O54 K1 C26 108.24(9) . .
F13B K1 C26 151.5(9) . .
C27 K1 C26 24.87(10) . .
F13A K1 C22 158.13(11) . .
F16 K1 C22 113.63(8) . .
O18 K1 C22 60.12(8) . .
O60 K1 C22 108.52(9) . .
O57 K1 C22 116.49(9) . .
F15B K1 C22 130.7(9) . .
O54 K1 C22 98.43(9) . .
F13B K1 C22 154.6(6) . .
C27 K1 C22 24.53(9) . .
C26 K1 C22 42.93(9) . .
F13A K1 C25 149.37(14) . .
F16 K1 C25 125.19(9) . .
O18 K1 C25 107.79(8) . .
O60 K1 C25 62.32(9) . .
O57 K1 C25 101.26(9) . .
F15B K1 C25 167.7(7) . .
O54 K1 C25 131.38(9) . .
F13B K1 C25 133.9(10) . .
C27 K1 C25 41.75(9) . .
C26 K1 C25 23.36(9) . .
C22 K1 C25 47.88(9) . .
F15B P1 F13B 84(2) . .
F13B P1 F15A 121.6(16) . .
F15B P1 F12B 163.5(17) . .
F13B P1 F12B 90(2) . .
F15A P1 F12B 144.9(16) . .
F15B P1 F14A 127.8(16) . .
F13B P1 F14A 146.2(17) . .
F15A P1 F14A 90.6(3) . .
F12B P1 F14A 55.8(15) . .
F15B P1 F12A 141.7(17) . .
F13B P1 F12A 58.1(16) . .
F15A P1 F12A 179.1(3) . .
F14A P1 F12A 89.8(3) . .
F15B P1 F14B 89(2) . .
F13B P1 F14B 163.4(17) . .
F15A P1 F14B 52.3(17) . .
F12B P1 F14B 93(2) . .
F12A P1 F14B 128.3(18) . .
F15B P1 F13A 53.3(16) . .
F15A P1 F13A 90.4(3) . .
F12B P1 F13A 123.3(16) . .
F14A P1 F13A 178.9(3) . .
F12A P1 F13A 89.2(3) . .
F14B P1 F13A 141.9(18) . .
F15B P1 F11 97.0(12) . .
F13B P1 F11 99.2(12) . .
F15A P1 F11 89.8(2) . .
F12B P1 F11 99.1(11) . .
F14A P1 F11 89.81(17) . .
F12A P1 F11 89.40(17) . .
F14B P1 F11 96.3(11) . .
F13A P1 F11 89.78(17) . .
F15B P1 F16 82.6(12) . .
F13B P1 F16 80.7(12) . .
F15A P1 F16 89.9(2) . .
F12B P1 F16 81.3(11) . .
F14A P1 F16 90.50(17) . .
F12A P1 F16 90.88(17) . .
F14B P1 F16 83.8(11) . .
F13A P1 F16 89.92(17) . .
F11 P1 F16 179.58(17) . .
F15B P1 K1 48.7(15) . .
F13B P1 K1 52.5(14) . .
F15A P1 K1 79.5(2) . .
F12B P1 K1 116.1(12) . .
F14A P1 K1 135.97(14) . .
F12A P1 K1 100.73(15) . .
F14B P1 K1 111.9(14) . .
F11 P1 K1 132.42(11) . .
F16 P1 K1 47.21(10) . .
P1 F11 K2 156.48(17) . 3
P1 F13A K1 111.01(17) . .
P1 F13B K1 103.3(19) . .
P1 F15B K1 108(2) . .
P1 F16 K1 107.45(13) . .
O70 K2 O49 138.49(10) . .
O70 K2 O43A 86.71(11) . .
O49 K2 O43A 116.55(10) . .
O70 K2 F11 71.13(10) . 3
O49 K2 F11 77.12(9) . 3
O43A K2 F11 84.71(10) . 3
O70 K2 O46 133.97(11) . .
O49 K2 O46 58.73(10) . .
O43A K2 O46 58.00(10) . .
F11 K2 O46 76.64(10) 3 .
O70 K2 O20 71.35(9) . .
O49 K2 O20 77.50(8) . .
O43A K2 O20 156.37(11) . .
F11 K2 O20 80.04(8) 3 .
O46 K2 O20 133.77(9) . .
O70 K2 O4 68.98(9) . .
O49 K2 O4 152.39(9) . .
O43A K2 O4 57.08(8) . .
F11 K2 O4 125.04(8) 3 .
O46 K2 O4 106.80(9) . .
O20 K2 O4 119.28(7) . .
O70 K2 C13 129.59(11) . .
O49 K2 C13 82.97(9) . .
O43A K2 C13 98.51(11) . .
F11 K2 C13 159.01(9) 3 .
O46 K2 C13 87.45(10) . .
O20 K2 C13 102.21(8) . .
O4 K2 C13 72.42(8) . .
O70 K2 C8 106.01(10) . .
O49 K2 C8 101.48(9) . .
O43A K2 C8 103.20(11) . .
F11 K2 C8 171.56(9) 3 .
O46 K2 C8 109.94(10) . .
O20 K2 C8 91.53(8) . .
O4 K2 C8 59.08(8) . .
C13 K2 C8 23.90(9) . .
O70 K2 C9 96.12(10) . .
O49 K2 C9 97.10(9) . .
O43A K2 C9 124.51(10) . .
F11 K2 C9 148.22(9) 3 .
O46 K2 C9 127.31(10) . .
O20 K2 C9 68.24(8) . .
O4 K2 C9 72.43(8) . .
C13 K2 C9 40.86(8) . .
C8 K2 C9 23.34(9) . .
O70 K2 C12 142.84(11) . .
O49 K2 C12 61.06(9) . .
O43A K2 C12 113.57(11) . .
F11 K2 C12 138.17(9) 3 .
O46 K2 C12 82.15(10) . .
O20 K2 C12 89.69(8) . .
O4 K2 C12 95.39(8) . .
C13 K2 C12 23.04(9) . .
C8 K2 C12 41.10(9) . .
C9 K2 C12 46.74(9) . .
F23B P2 F25B 178.8(16) . .
F23B P2 F24A 72.8(14) . .
F25B P2 F24A 106.1(12) . .
F23B P2 F24B 94.3(17) . .
F25B P2 F24B 84.7(17) . .
F23B P2 F25A 162.5(14) . .
F24A P2 F25A 92.4(8) . .
F24B P2 F25A 70.3(14) . .
F23B P2 F22A 105.3(13) . .
F25B P2 F22A 75.8(12) . .
F24A P2 F22A 177.8(8) . .
F24B P2 F22A 159.3(14) . .
F25A P2 F22A 89.3(8) . .
F23B P2 F22B 92.2(16) . .
F25B P2 F22B 88.8(15) . .
F24A P2 F22B 162.9(11) . .
F24B P2 F22B 172.9(16) . .
F25A P2 F22B 103.7(11) . .
F23B P2 F21 84.1(10) . .
F25B P2 F21 96.5(8) . .
F24A P2 F21 93.2(5) . .
F24B P2 F21 90.0(11) . .
F25A P2 F21 87.6(5) . .
F22A P2 F21 85.4(5) . .
F22B P2 F21 93.5(8) . .
F23B P2 F26 95.9(10) . .
F25B P2 F26 83.6(8) . .
F24A P2 F26 88.5(5) . .
F24B P2 F26 91.7(11) . .
F25A P2 F26 92.9(5) . .
F22A P2 F26 92.9(5) . .
F22B P2 F26 84.8(8) . .
F21 P2 F26 178.3(2) . .
F25B P2 F23A 162.8(12) . .
F24A P2 F23A 88.6(8) . .
F24B P2 F23A 110.6(14) . .
F25A P2 F23A 178.8(7) . .
F22A P2 F23A 89.7(7) . .
F22B P2 F23A 75.5(11) . .
F21 P2 F23A 91.5(5) . .
F26 P2 F23A 88.0(5) . .
N83 C82 C81 179.3(9) . .
N93 C92 C91 178.4(8) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 C6 1.391(5) .
C1 C2 1.395(5) .
C1 C28 1.526(5) .
C2 C3 1.400(5) .
C3 C4 1.397(5) .
C3 C7 1.517(5) .
C4 O4 1.377(4) .
C4 C5 1.393(5) .
C5 C6 1.386(5) .
C6 O6 1.376(4) .
C7 C8 1.526(5) .
C7 C29 1.542(5) .
C8 C9 1.382(5) .
C8 C13 1.402(5) .
C8 K2 3.385(4) .
C9 C10 1.404(5) .
C9 K2 3.442(4) .
C10 C11 1.398(5) .
C10 C14 1.513(5) .
C11 O11 1.380(4) .
C11 C12 1.389(5) .
C12 C13 1.385(5) .
C12 K2 3.522(4) .
C13 O13 1.380(5) .
C13 K2 3.384(4) .
C14 C15 1.513(5) .
C14 C31 1.542(5) .
C15 C16 1.385(5) .
C15 C20 1.403(5) .
C16 C17 1.397(5) .
C17 C18 1.387(5) .
C17 C21 1.525(5) .
C18 C19 1.380(5) .
C18 O18 1.392(4) .
C19 C20 1.397(5) .
C20 O20 1.379(4) .
C21 C22 1.520(5) .
C21 C33 1.539(5) .
C22 C23 1.390(5) .
C22 C27 1.405(5) .
C22 K1 3.372(4) .
C23 C24 1.397(5) .
C24 C25 1.386(5) .
C24 C28 1.529(5) .
C25 O25 1.381(4) .
C25 C26 1.397(5) .
C25 K1 3.522(4) .
C26 C27 1.390(5) .
C26 K1 3.259(4) .
C27 O27 1.367(5) .
C27 K1 3.188(4) .
C28 C35 1.546(5) .
C29 C30 1.517(5) .
C31 C32 1.522(6) .
C33 C34 1.491(6) .
C35 C36 1.519(5) .
C37 O6 1.437(5) .
C38 O13 1.424(5) .
C39 O20 1.430(5) .
C40 O27 1.429(5) .
C41 O4 1.436(4) .
C41 C42 1.499(6) .
C42 O43A 1.393(5) .
O43A C44A 1.476(6) .
O43A K2 2.805(3) .
C44A C45A 1.428(9) .
C45A O46 1.430(6) .
C47 O46 1.415(6) .
C47 C48 1.487(7) .
C48 O49 1.418(6) .
C50 O49 1.428(6) .
C50 C51 1.515(6) .
C51 O11 1.448(5) .
C52 O18 1.438(5) .
C52 C53 1.490(6) .
C53 O54 1.420(5) .
C55 O54 1.412(5) .
C55 C56 1.504(7) .
C56 O57 1.414(5) .
C58 O57 1.431(6) .
C58 C59 1.488(7) .
C59 O60 1.447(6) .
C61 O60 1.433(5) .
C61 C62 1.513(6) .
C62 O25 1.434(5) .
O4 K2 3.113(3) .
O18 K1 2.817(3) .
O20 K2 3.020(3) .
O46 K2 2.926(3) .
O49 K2 2.799(3) .
O54 K1 2.872(3) .
O57 K1 2.860(3) .
O60 K1 2.853(3) .
K1 F13A 2.728(3) .
K1 F16 2.785(3) .
K1 F15B 2.87(3) .
K1 F13B 2.95(3) .
P1 F15B 1.48(4) .
P1 F13B 1.53(4) .
P1 F15A 1.566(4) .
P1 F12B 1.57(3) .
P1 F14A 1.575(4) .
P1 F12A 1.579(3) .
P1 F14B 1.59(4) .
P1 F13A 1.596(4) .
P1 F11 1.597(3) .
P1 F16 1.624(3) .
F11 K2 2.839(3) 3
K2 O70 2.735(4) .
K2 F11 2.838(3) 3
P2 F23B 1.51(2) .
P2 F25B 1.553(18) .
P2 F24A 1.560(12) .
P2 F24B 1.56(3) .
P2 F25A 1.561(13) .
P2 F22A 1.562(9) .
P2 F22B 1.58(2) .
P2 F21 1.588(3) .
P2 F26 1.601(3) .
P2 F23A 1.604(13) .
N83 C82 1.144(9) .
C82 C81 1.402(10) .
C91 C92 1.449(13) .
C92 N93 1.128(10) .
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O70 H70A F16 0.92(7) 2.25(7) 3.111(4) 156(6) .
O70 H70B F14A 0.95(7) 2.10(7) 3.004(5) 160(5) 3
O70 H70B F14B 0.95(7) 2.25(7) 3.13(3) 154(5) 3
O70 H70B F14A 0.95(7) 2.47(6) 3.049(5) 119(5) .
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_4
C6 C1 C2 C3 -2.1(5) .
C28 C1 C2 C3 175.4(3) .
C1 C2 C3 C4 1.5(5) .
C1 C2 C3 C7 -176.7(3) .
C2 C3 C4 O4 -179.2(3) .
C7 C3 C4 O4 -0.9(5) .
C2 C3 C4 C5 0.5(5) .
C7 C3 C4 C5 178.8(3) .
O4 C4 C5 C6 177.8(3) .
C3 C4 C5 C6 -1.8(6) .
C4 C5 C6 O6 -179.0(3) .
C4 C5 C6 C1 1.2(6) .
C2 C1 C6 O6 -179.1(3) .
C28 C1 C6 O6 3.3(5) .
C2 C1 C6 C5 0.7(5) .
C28 C1 C6 C5 -177.0(3) .
C4 C3 C7 C8 79.2(4) .
C2 C3 C7 C8 -102.6(4) .
C4 C3 C7 C29 -155.7(3) .
C2 C3 C7 C29 22.5(5) .
C3 C7 C8 C9 37.0(5) .
C29 C7 C8 C9 -92.1(4) .
C3 C7 C8 C13 -148.3(3) .
C29 C7 C8 C13 82.6(4) .
C3 C7 C8 K2 -57.8(3) .
C29 C7 C8 K2 173.2(2) .
C13 C8 C9 C10 -1.6(5) .
C7 C8 C9 C10 173.2(3) .
K2 C8 C9 C10 -72.7(3) .
C13 C8 C9 K2 71.1(3) .
C7 C8 C9 K2 -114.1(3) .
C8 C9 C10 C11 -1.3(5) .
K2 C9 C10 C11 -70.0(3) .
C8 C9 C10 C14 179.5(3) .
K2 C9 C10 C14 110.7(3) .
C9 C10 C11 O11 -173.1(3) .
C14 C10 C11 O11 6.1(5) .
C9 C10 C11 C12 3.1(5) .
C14 C10 C11 C12 -177.7(3) .
O11 C11 C12 C13 174.1(3) .
C10 C11 C12 C13 -1.9(6) .
O11 C11 C12 K2 -120.2(3) .
C10 C11 C12 K2 63.8(3) .
C11 C12 C13 O13 178.9(4) .
K2 C12 C13 O13 107.9(4) .
C11 C12 C13 C8 -1.2(6) .
K2 C12 C13 C8 -72.2(3) .
C11 C12 C13 K2 71.0(3) .
C9 C8 C13 O13 -177.2(3) .
C7 C8 C13 O13 7.8(5) .
K2 C8 C13 O13 -104.7(3) .
C9 C8 C13 C12 2.9(5) .
C7 C8 C13 C12 -172.0(3) .
K2 C8 C13 C12 75.5(3) .
C9 C8 C13 K2 -72.6(3) .
C7 C8 C13 K2 112.5(3) .
C11 C10 C14 C15 148.9(3) .
C9 C10 C14 C15 -31.9(5) .
C11 C10 C14 C31 -80.8(4) .
C9 C10 C14 C31 98.4(4) .
C10 C14 C15 C16 107.9(4) .
C31 C14 C15 C16 -20.5(5) .
C10 C14 C15 C20 -75.5(4) .
C31 C14 C15 C20 156.1(3) .
C20 C15 C16 C17 -2.2(5) .
C14 C15 C16 C17 174.4(3) .
C15 C16 C17 C18 0.8(5) .
C15 C16 C17 C21 -177.6(3) .
C16 C17 C18 C19 1.5(5) .
C21 C17 C18 C19 180.0(3) .
C16 C17 C18 O18 -179.4(3) .
C21 C17 C18 O18 -0.9(5) .
C17 C18 C19 C20 -2.3(5) .
O18 C18 C19 C20 178.6(3) .
C18 C19 C20 O20 -179.8(3) .
C18 C19 C20 C15 0.8(5) .
C16 C15 C20 O20 -178.1(3) .
C14 C15 C20 O20 5.2(5) .
C16 C15 C20 C19 1.3(5) .
C14 C15 C20 C19 -175.5(3) .
C18 C17 C21 C22 75.5(4) .
C16 C17 C21 C22 -106.1(4) .
C18 C17 C21 C33 -158.6(3) .
C16 C17 C21 C33 19.7(5) .
C17 C21 C22 C23 40.7(4) .
C33 C21 C22 C23 -87.2(4) .
C17 C21 C22 C27 -141.2(3) .
C33 C21 C22 C27 90.9(4) .
C17 C21 C22 K1 -61.3(3) .
C33 C21 C22 K1 170.8(2) .
C27 C22 C23 C24 -0.4(5) .
C21 C22 C23 C24 177.7(3) .
K1 C22 C23 C24 -66.9(3) .
C22 C23 C24 C25 0.8(5) .
C22 C23 C24 C28 -176.8(3) .
C23 C24 C25 O25 -176.4(3) .
C28 C24 C25 O25 1.1(5) .
C23 C24 C25 C26 -0.1(5) .
C28 C24 C25 C26 177.4(3) .
C23 C24 C25 K1 60.9(3) .
C28 C24 C25 K1 -121.5(3) .
O25 C25 C26 C27 175.2(3) .
C24 C25 C26 C27 -0.9(6) .
K1 C25 C26 C27 -71.7(3) .
O25 C25 C26 K1 -113.1(3) .
C24 C25 C26 K1 70.7(3) .
C25 C26 C27 O27 179.9(4) .
K1 C26 C27 O27 100.2(4) .
C25 C26 C27 C22 1.3(6) .
K1 C26 C27 C22 -78.4(3) .
C25 C26 C27 K1 79.7(3) .
C23 C22 C27 O27 -179.4(3) .
C21 C22 C27 O27 2.5(5) .
K1 C22 C27 O27 -102.9(3) .
C23 C22 C27 C26 -0.6(5) .
C21 C22 C27 C26 -178.8(3) .
K1 C22 C27 C26 75.8(3) .
C23 C22 C27 K1 -76.5(3) .
C21 C22 C27 K1 105.4(3) .
C6 C1 C28 C24 -71.0(4) .
C2 C1 C28 C24 111.5(4) .
C6 C1 C28 C35 163.9(3) .
C2 C1 C28 C35 -13.5(5) .
C25 C24 C28 C1 137.2(4) .
C23 C24 C28 C1 -45.4(4) .
C25 C24 C28 C35 -96.0(4) .
C23 C24 C28 C35 81.5(4) .
C3 C7 C29 C30 65.0(4) .
C8 C7 C29 C30 -167.8(3) .
C15 C14 C31 C32 -65.9(4) .
C10 C14 C31 C32 164.8(3) .
C22 C21 C33 C34 -168.8(4) .
C17 C21 C33 C34 64.6(5) .
C1 C28 C35 C36 -164.4(3) .
C24 C28 C35 C36 69.4(4) .
O4 C41 C42 O43A -69.2(4) .
C41 C42 O43A C44A 176.1(4) .
C41 C42 O43A K2 29.7(5) .
C42 O43A C44A C45A 175.3(5) .
K2 O43A C44A C45A -36.9(6) .
O43A C44A C45A O46 66.8(7) .
O46 C47 C48 O49 -65.5(6) .
O49 C50 C51 O11 -86.8(5) .
O18 C52 C53 O54 -61.4(5) .
O54 C55 C56 O57 64.8(5) .
O57 C58 C59 O60 -67.3(5) .
O60 C61 C62 O25 -90.8(4) .
C5 C4 O4 C41 -18.6(5) .
C3 C4 O4 C41 161.1(3) .
C5 C4 O4 K2 99.4(3) .
C3 C4 O4 K2 -80.9(3) .
C42 C41 O4 C4 -168.2(3) .
C42 C41 O4 K2 66.4(3) .
C5 C6 O6 C37 17.8(5) .
C1 C6 O6 C37 -162.5(3) .
C12 C11 O11 C51 50.6(5) .
C10 C11 O11 C51 -133.2(4) .
C50 C51 O11 C11 62.3(5) .
C12 C13 O13 C38 -1.4(6) .
C8 C13 O13 C38 178.7(4) .
K2 C13 O13 C38 93.4(4) .
C19 C18 O18 C52 -58.4(5) .
C17 C18 O18 C52 122.5(4) .
C19 C18 O18 K1 97.1(3) .
C17 C18 O18 K1 -82.0(3) .
C53 C52 O18 C18 -152.7(3) .
C53 C52 O18 K1 50.4(4) .
C19 C20 O20 C39 32.4(5) .
C15 C20 O20 C39 -148.2(3) .
C19 C20 O20 K2 -93.5(4) .
C15 C20 O20 K2 85.8(3) .
C24 C25 O25 C62 -145.1(3) .
C26 C25 O25 C62 38.6(5) .
K1 C25 O25 C62 -42.8(4) .
C61 C62 O25 C25 74.4(4) .
C26 C27 O27 C40 -3.8(6) .
C22 C27 O27 C40 174.9(3) .
K1 C27 O27 C40 83.9(3) .
C48 C47 O46 C45A 177.8(5) .
C48 C47 O46 K2 59.5(5) .
C44A C45A O46 C47 178.5(5) .
C44A C45A O46 K2 -63.2(6) .
C47 C48 O49 C50 -154.2(4) .
C47 C48 O49 K2 36.9(5) .
C51 C50 O49 C48 -74.2(5) .
C51 C50 O49 K2 93.7(4) .
C56 C55 O54 C53 178.7(4) .
C56 C55 O54 K1 -40.1(4) .
C52 C53 O54 C55 -174.2(4) .
C52 C53 O54 K1 44.4(5) .
C55 C56 O57 C58 -177.1(4) .
C55 C56 O57 K1 -57.0(4) .
C59 C58 O57 C56 -171.7(4) .
C59 C58 O57 K1 64.9(4) .
C62 C61 O60 C59 -80.8(5) .
C62 C61 O60 K1 77.1(4) .
C58 C59 O60 C61 -166.7(4) .
C58 C59 O60 K1 32.3(5) .
C18 O18 K1 F13A -109.3(3) .
C52 O18 K1 F13A 45.8(3) .
C18 O18 K1 F16 -66.1(2) .
C52 O18 K1 F16 89.1(3) .
C18 O18 K1 O60 101.2(4) .
C52 O18 K1 O60 -103.7(4) .
C18 O18 K1 O57 169.1(2) .
C52 O18 K1 O57 -35.7(3) .
C18 O18 K1 F15B -110.1(8) .
C52 O18 K1 F15B 45.1(8) .
C18 O18 K1 O54 -174.8(3) .
C52 O18 K1 O54 -19.7(3) .
C18 O18 K1 F13B -93.5(9) .
C52 O18 K1 F13B 61.6(9) .
C18 O18 K1 C27 83.0(3) .
C52 O18 K1 C27 -121.8(3) .
C18 O18 K1 C26 79.5(3) .
C52 O18 K1 C26 -125.3(3) .
C18 O18 K1 C22 61.7(2) .
C52 O18 K1 C22 -143.2(3) .
C18 O18 K1 C25 57.0(3) .
C52 O18 K1 C25 -147.8(3) .
C61 O60 K1 F13A 127.1(3) .
C59 O60 K1 F13A -75.7(3) .
C61 O60 K1 F16 83.0(3) .
C59 O60 K1 F16 -119.7(3) .
C61 O60 K1 O18 -83.0(5) .
C59 O60 K1 O18 74.2(5) .
C61 O60 K1 O57 -158.0(3) .
C59 O60 K1 O57 -0.7(3) .
C61 O60 K1 F15B 131.9(9) .
C59 O60 K1 F15B -70.9(10) .
C61 O60 K1 O54 -158.7(3) .
C59 O60 K1 O54 -1.4(3) .
C61 O60 K1 F13B 111.0(9) .
C59 O60 K1 F13B -91.7(8) .
C61 O60 K1 C27 -65.5(3) .
C59 O60 K1 C27 91.8(3) .
C61 O60 K1 C26 -59.7(3) .
C59 O60 K1 C26 97.5(3) .
C61 O60 K1 C22 -47.4(3) .
C59 O60 K1 C22 109.8(3) .
C61 O60 K1 C25 -34.5(3) .
C59 O60 K1 C25 122.8(3) .
C56 O57 K1 F13A -54.2(3) .
C58 O57 K1 F13A 68.1(3) .
C56 O57 K1 F16 -50.6(3) .
C58 O57 K1 F16 71.6(3) .
C56 O57 K1 O18 41.2(3) .
C58 O57 K1 O18 163.4(3) .
C56 O57 K1 O60 -154.1(3) .
C58 O57 K1 O60 -31.8(3) .
C56 O57 K1 F15B -28.0(10) .
C58 O57 K1 F15B 94.3(10) .
C56 O57 K1 O54 25.2(3) .
C58 O57 K1 O54 147.4(3) .
C56 O57 K1 F13B -68.3(10) .
C58 O57 K1 F13B 54.0(10) .
C56 O57 K1 C27 115.8(3) .
C58 O57 K1 C27 -121.9(3) .
C56 O57 K1 C26 139.6(3) .
C58 O57 K1 C26 -98.1(3) .
C56 O57 K1 C22 108.8(3) .
C58 O57 K1 C22 -129.0(3) .
C56 O57 K1 C25 157.1(3) .
C58 O57 K1 C25 -80.7(3) .
C55 O54 K1 F13A 94.7(3) .
C53 O54 K1 F13A -125.9(3) .
C55 O54 K1 F16 137.8(3) .
C53 O54 K1 F16 -82.7(3) .
C55 O54 K1 O18 -153.6(3) .
C53 O54 K1 O18 -14.2(3) .
C55 O54 K1 O60 10.1(3) .
C53 O54 K1 O60 149.5(3) .
C55 O54 K1 O57 9.3(3) .
C53 O54 K1 O57 148.8(3) .
C55 O54 K1 F15B 120.6(9) .
C53 O54 K1 F15B -100.0(9) .
C55 O54 K1 F13B 96.5(7) .
C53 O54 K1 F13B -124.1(7) .
C55 O54 K1 C27 -82.8(3) .
C53 O54 K1 C27 56.6(3) .
C55 O54 K1 C26 -63.5(3) .
C53 O54 K1 C26 75.9(3) .
C55 O54 K1 C22 -106.6(3) .
C53 O54 K1 C22 32.8(3) .
C55 O54 K1 C25 -67.2(3) .
C53 O54 K1 C25 72.2(3) .
O27 C27 K1 F13A -1.7(6) .
C26 C27 K1 F13A 121.2(5) .
C22 C27 K1 F13A -116.5(5) .
O27 C27 K1 F16 113.9(2) .
C26 C27 K1 F16 -123.2(2) .
C22 C27 K1 F16 -1.0(3) .
O27 C27 K1 O18 65.4(2) .
C26 C27 K1 O18 -171.7(2) .
C22 C27 K1 O18 -49.5(2) .
O27 C27 K1 O60 -110.2(2) .
C26 C27 K1 O60 12.7(2) .
C22 C27 K1 O60 134.9(2) .
O27 C27 K1 O57 -49.8(2) .
C26 C27 K1 O57 73.1(2) .
C22 C27 K1 O57 -164.6(2) .
O27 C27 K1 F15B 44.1(11) .
C26 C27 K1 F15B 167.0(11) .
C22 C27 K1 F15B -70.7(11) .
O27 C27 K1 O54 8.9(2) .
C26 C27 K1 O54 131.8(2) .
C22 C27 K1 O54 -105.9(2) .
O27 C27 K1 C26 -122.9(4) .
C22 C27 K1 C26 122.2(3) .
O27 C27 K1 C22 114.9(3) .
C26 C27 K1 C22 -122.2(3) .
O27 C27 K1 C25 -153.5(3) .
C26 C27 K1 C25 -30.6(2) .
C22 C27 K1 C25 91.7(2) .
C27 C26 K1 F13A -147.1(4) .
C25 C26 K1 F13A 91.6(4) .
C27 C26 K1 F16 88.1(3) .
C25 C26 K1 F16 -33.2(3) .
C27 C26 K1 O18 8.1(2) .
C25 C26 K1 O18 -113.2(2) .
C27 C26 K1 O60 -166.2(2) .
C25 C26 K1 O60 72.4(2) .
C27 C26 K1 O57 -106.6(2) .
C25 C26 K1 O57 132.1(2) .
C27 C26 K1 F15B -36(3) .
C25 C26 K1 F15B -157(3) .
C27 C26 K1 O54 -51.6(2) .
C25 C26 K1 O54 -173.0(2) .
C27 C26 K1 F13B 174.2(15) .
C25 C26 K1 F13B 52.8(15) .
C25 C26 K1 C27 -121.4(3) .
C27 C26 K1 C22 31.0(2) .
C25 C26 K1 C22 -90.3(2) .
C27 C26 K1 C25 121.4(3) .
C23 C22 K1 F13A -93.0(4) .
C27 C22 K1 F13A 146.7(4) .
C21 C22 K1 F13A 30.8(5) .
C23 C22 K1 F16 -60.3(2) .
C27 C22 K1 F16 179.3(2) .
C21 C22 K1 F16 63.4(2) .
C23 C22 K1 O18 -117.4(2) .
C27 C22 K1 O18 122.2(2) .
C21 C22 K1 O18 6.3(2) .
C23 C22 K1 O60 72.1(2) .
C27 C22 K1 O60 -48.3(2) .
C21 C22 K1 O60 -164.2(2) .
C23 C22 K1 O57 137.6(2) .
C27 C22 K1 O57 17.2(2) .
C21 C22 K1 O57 -98.7(2) .
C23 C22 K1 F15B -107.1(10) .
C27 C22 K1 F15B 132.5(10) .
C21 C22 K1 F15B 16.6(11) .
C23 C22 K1 O54 -163.3(2) .
C27 C22 K1 O54 76.3(2) .
C21 C22 K1 O54 -39.6(2) .
C23 C22 K1 F13B -49(2) .
C27 C22 K1 F13B -170(2) .
C21 C22 K1 F13B 74(2) .
C23 C22 K1 C27 120.4(3) .
C21 C22 K1 C27 -115.9(3) .
C23 C22 K1 C26 88.9(2) .
C27 C22 K1 C26 -31.5(2) .
C21 C22 K1 C26 -147.4(3) .
C23 C22 K1 C25 56.6(2) .
C27 C22 K1 C25 -63.8(2) .
C21 C22 K1 C25 -179.7(3) .
O25 C25 K1 F13A -20.0(4) .
C24 C25 K1 F13A 98.9(3) .
C26 C25 K1 F13A -135.1(3) .
O25 C25 K1 F16 -86.9(3) .
C24 C25 K1 F16 32.0(2) .
C26 C25 K1 F16 158.0(2) .
O25 C25 K1 O18 -172.8(2) .
C24 C25 K1 O18 -53.8(2) .
C26 C25 K1 O18 72.1(2) .
O25 C25 K1 O60 18.4(2) .
C24 C25 K1 O60 137.4(2) .
C26 C25 K1 O60 -96.7(2) .
O25 C25 K1 O57 66.1(3) .
C24 C25 K1 O57 -175.0(2) .
C26 C25 K1 O57 -49.0(2) .
O25 C25 K1 F15B -89(4) .
C24 C25 K1 F15B 30(4) .
C26 C25 K1 F15B 156(4) .
O25 C25 K1 O54 124.0(2) .
C24 C25 K1 O54 -117.1(2) .
C26 C25 K1 O54 8.9(3) .
O25 C25 K1 F13B -33.2(9) .
C24 C25 K1 F13B 85.8(9) .
C26 C25 K1 F13B -148.2(9) .
O25 C25 K1 C27 147.7(3) .
C24 C25 K1 C27 -93.3(2) .
C26 C25 K1 C27 32.6(2) .
O25 C25 K1 C26 115.1(4) .
C24 C25 K1 C26 -126.0(3) .
O25 C25 K1 C22 -178.3(3) .
C24 C25 K1 C22 -59.3(2) .
C26 C25 K1 C22 66.7(2) .
F13A K1 P1 F15B 75.9(18) .
F16 K1 P1 F15B -125.3(19) .
O18 K1 P1 F15B -54.2(19) .
O60 K1 P1 F15B 122.7(19) .
O57 K1 P1 F15B 60.2(19) .
O54 K1 P1 F15B 4.7(19) .
F13B K1 P1 F15B 119(2) .
C27 K1 P1 F15B -70.6(19) .
C26 K1 P1 F15B -164.6(19) .
C22 K1 P1 F15B -89.1(19) .
C25 K1 P1 F15B -167.6(19) .
F13A K1 P1 F13B -43.3(19) .
F16 K1 P1 F13B 116(2) .
O18 K1 P1 F13B -173(2) .
O60 K1 P1 F13B 4(2) .
O57 K1 P1 F13B -59(2) .
F15B K1 P1 F13B -119(2) .
O54 K1 P1 F13B -114(2) .
C27 K1 P1 F13B 170(2) .
C26 K1 P1 F13B 76(2) .
C22 K1 P1 F13B 152(2) .
C25 K1 P1 F13B 73(2) .
F13A K1 P1 F15A 101.4(3) .
F16 K1 P1 F15A -99.7(3) .
O18 K1 P1 F15A -28.7(2) .
O60 K1 P1 F15A 148.2(2) .
O57 K1 P1 F15A 85.7(2) .
F15B K1 P1 F15A 25.5(19) .
O54 K1 P1 F15A 30.2(2) .
F13B K1 P1 F15A 145(2) .
C27 K1 P1 F15A -45.1(3) .
C26 K1 P1 F15A -139.1(5) .
C22 K1 P1 F15A -63.6(2) .
C25 K1 P1 F15A -142.0(2) .
F13A K1 P1 F12B -111.9(17) .
F16 K1 P1 F12B 46.9(17) .
O18 K1 P1 F12B 118.0(17) .
O60 K1 P1 F12B -65.1(17) .
O57 K1 P1 F12B -127.6(17) .
F15B K1 P1 F12B 172(2) .
O54 K1 P1 F12B 176.9(17) .
F13B K1 P1 F12B -69(2) .
C27 K1 P1 F12B 101.6(17) .
C26 K1 P1 F12B 7.6(17) .
C22 K1 P1 F12B 83.1(17) .
C25 K1 P1 F12B 4.7(17) .
F13A K1 P1 F14A -178.8(4) .
F16 K1 P1 F14A -19.9(3) .
O18 K1 P1 F14A 51.2(3) .
O60 K1 P1 F14A -131.9(3) .
O57 K1 P1 F14A 165.6(3) .
F15B K1 P1 F14A 105.4(19) .
O54 K1 P1 F14A 110.1(3) .
F13B K1 P1 F14A -136(2) .
C27 K1 P1 F14A 34.8(4) .
C26 K1 P1 F14A -59.2(5) .
C22 K1 P1 F14A 16.2(3) .
C25 K1 P1 F14A -62.2(3) .
F13A K1 P1 F12A -77.7(3) .
F16 K1 P1 F12A 81.1(2) .
O18 K1 P1 F12A 152.23(19) .
O60 K1 P1 F12A -30.86(19) .
O57 K1 P1 F12A -93.37(19) .
F15B K1 P1 F12A -153.6(19) .
O54 K1 P1 F12A -148.88(19) .
F13B K1 P1 F12A -34(2) .
C27 K1 P1 F12A 135.8(3) .
C26 K1 P1 F12A 41.8(5) .
C22 K1 P1 F12A 117.3(2) .
C25 K1 P1 F12A 38.9(2) .
F13A K1 P1 F14B 143.2(17) .
F16 K1 P1 F14B -58.0(17) .
O18 K1 P1 F14B 13.1(17) .
O60 K1 P1 F14B -170.0(17) .
O57 K1 P1 F14B 127.5(17) .
F15B K1 P1 F14B 67(2) .
O54 K1 P1 F14B 72.0(17) .
F13B K1 P1 F14B -174(3) .
C27 K1 P1 F14B -3.3(17) .
C26 K1 P1 F14B -97.3(18) .
C22 K1 P1 F14B -21.8(17) .
C25 K1 P1 F14B -100.2(17) .
F16 K1 P1 F13A 158.9(3) .
O18 K1 P1 F13A -130.0(3) .
O60 K1 P1 F13A 46.9(3) .
O57 K1 P1 F13A -15.6(3) .
F15B K1 P1 F13A -75.9(18) .
O54 K1 P1 F13A -71.1(3) .
F13B K1 P1 F13A 43.3(19) .
C27 K1 P1 F13A -146.4(4) .
C26 K1 P1 F13A 119.6(5) .
C22 K1 P1 F13A -165.0(3) .
C25 K1 P1 F13A 116.6(3) .
F13A K1 P1 F11 21.4(3) .
F16 K1 P1 F11 -179.7(2) .
O18 K1 P1 F11 -108.64(17) .
O60 K1 P1 F11 68.26(18) .
O57 K1 P1 F11 5.75(18) .
F15B K1 P1 F11 -54.5(19) .
O54 K1 P1 F11 -49.76(17) .
F13B K1 P1 F11 65(2) .
C27 K1 P1 F11 -125.1(2) .
C26 K1 P1 F11 141.0(4) .
C22 K1 P1 F11 -143.60(18) .
C25 K1 P1 F11 137.98(19) .
F13A K1 P1 F16 -158.9(3) .
O18 K1 P1 F16 71.09(16) .
O60 K1 P1 F16 -112.01(17) .
O57 K1 P1 F16 -174.51(17) .
F15B K1 P1 F16 125.3(19) .
O54 K1 P1 F16 129.97(16) .
F13B K1 P1 F16 -116(2) .
C27 K1 P1 F16 54.7(3) .
C26 K1 P1 F16 -39.3(4) .
C22 K1 P1 F16 36.13(18) .
C25 K1 P1 F16 -42.3(2) .
F15B P1 F11 K2 87.1(17) 3
F13B P1 F11 K2 171.7(17) 3
F15A P1 F11 K2 49.6(5) 3
F12B P1 F11 K2 -96.3(16) 3
F14A P1 F11 K2 -41.0(4) 3
F12A P1 F11 K2 -130.8(4) 3
F14B P1 F11 K2 -2.3(18) 3
F13A P1 F11 K2 140.0(4) 3
K1 P1 F11 K2 125.1(3) 3
F15B P1 F13A K1 -65.4(16) .
F13B P1 F13A K1 88(2) .
F15A P1 F13A K1 -74.6(3) .
F12B P1 F13A K1 94.8(14) .
F12A P1 F13A K1 106.2(2) .
F14B P1 F13A K1 -64.4(19) .
F11 P1 F13A K1 -164.4(2) .
F16 P1 F13A K1 15.3(2) .
F16 K1 F13A P1 -11.83(19) .
O18 K1 F13A P1 50.6(3) .
O60 K1 F13A P1 -136.6(3) .
O57 K1 F13A P1 164.4(3) .
F15B K1 F13A P1 52.1(15) .
O54 K1 F13A P1 104.0(3) .
F13B K1 F13A P1 -70(2) .
C27 K1 F13A P1 115.0(5) .
C26 K1 F13A P1 -154.2(2) .
C22 K1 F13A P1 29.2(6) .
C25 K1 F13A P1 -103.2(3) .
F15B P1 F13B K1 -41.4(16) .
F15A P1 F13B K1 -41.9(19) .
F12B P1 F13B K1 123.2(16) .
F14A P1 F13B K1 118.8(18) .
F12A P1 F13B K1 139.1(19) .
F14B P1 F13B K1 21(9) .
F13A P1 F13B K1 -62(2) .
F11 P1 F13B K1 -137.5(10) .
F16 P1 F13B K1 42.1(10) .
F13A K1 F13B P1 70(3) .
F16 K1 F13B P1 -35.5(10) .
O18 K1 F13B P1 7(2) .
O60 K1 F13B P1 -176.6(19) .
O57 K1 F13B P1 123.0(18) .
F15B K1 F13B P1 31.6(15) .
O54 K1 F13B P1 64.5(18) .
C26 K1 F13B P1 -158.5(8) .
C22 K1 F13B P1 -51(4) .
C25 K1 F13B P1 -132.5(16) .
F13B P1 F15B K1 44.2(16) .
F15A P1 F15B K1 -137(2) .
F12B P1 F15B K1 -25(8) .
F14A P1 F15B K1 -122.0(14) .
F12A P1 F15B K1 45(2) .
F14B P1 F15B K1 -121.1(17) .
F13A P1 F15B K1 58.3(13) .
F11 P1 F15B K1 142.8(11) .
F16 P1 F15B K1 -37.2(11) .
F13A K1 F15B P1 -57(2) .
F16 K1 F15B P1 31.1(10) .
O18 K1 F15B P1 121.6(18) .
O60 K1 F15B P1 -67.0(18) .
O57 K1 F15B P1 -121.8(17) .
O54 K1 F15B P1 -175(2) .
F13B K1 F15B P1 -33.7(16) .
C27 K1 F15B P1 143.3(14) .
C26 K1 F15B P1 167.8(13) .
C22 K1 F15B P1 112.2(19) .
C25 K1 F15B P1 34(6) .
F15B P1 F16 K1 38.2(17) .
F13B P1 F16 K1 -46.4(17) .
F15A P1 F16 K1 75.7(3) .
F12B P1 F16 K1 -138.4(16) .
F14A P1 F16 K1 166.3(2) .
F12A P1 F16 K1 -103.9(2) .
F14B P1 F16 K1 127.7(18) .
F13A P1 F16 K1 -14.7(2) .
F13A K1 F16 P1 11.37(19) .
O18 K1 F16 P1 -104.70(15) .
O60 K1 F16 P1 78.81(17) .
O57 K1 F16 P1 6.7(2) .
F15B K1 F16 P1 -28.0(14) .
O54 K1 F16 P1 -50.08(16) .
F13B K1 F16 P1 34.0(14) .
C27 K1 F16 P1 -152.70(14) .
C26 K1 F16 P1 168.24(14) .
C22 K1 F16 P1 -153.14(13) .
C25 K1 F16 P1 152.82(13) .
C48 O49 K2 O70 -128.1(3) .
C50 O49 K2 O70 64.8(4) .
C48 O49 K2 O43A -10.2(4) .
C50 O49 K2 O43A -177.2(3) .
C48 O49 K2 F11 -87.5(3) 3
C50 O49 K2 F11 105.5(3) 3
C48 O49 K2 O46 -5.5(3) .
C50 O49 K2 O46 -172.5(3) .
C48 O49 K2 O20 -170.0(3) .
C50 O49 K2 O20 23.0(3) .
C48 O49 K2 O4 59.0(4) .
C50 O49 K2 O4 -108.1(3) .
C48 O49 K2 C13 85.8(3) .
C50 O49 K2 C13 -81.2(3) .
C48 O49 K2 C8 101.0(3) .
C50 O49 K2 C8 -66.0(3) .
C48 O49 K2 C9 124.3(3) .
C50 O49 K2 C9 -42.8(3) .
C48 O49 K2 C12 93.4(3) .
C50 O49 K2 C12 -73.7(3) .
C42 O43A K2 O70 -64.1(4) .
C44A O43A K2 O70 153.1(4) .
C42 O43A K2 O49 151.8(3) .
C44A O43A K2 O49 9.0(4) .
C42 O43A K2 F11 -135.5(4) 3
C44A O43A K2 F11 81.8(4) 3
C42 O43A K2 O46 147.0(4) .
C44A O43A K2 O46 4.2(4) .
C42 O43A K2 O20 -85.6(4) .
C44A O43A K2 O20 131.6(4) .
C42 O43A K2 O4 2.9(3) .
C44A O43A K2 O4 -139.9(4) .
C42 O43A K2 C13 65.4(4) .
C44A O43A K2 C13 -77.3(4) .
C42 O43A K2 C8 41.5(4) .
C44A O43A K2 C8 -101.2(4) .
C42 O43A K2 C9 31.0(4) .
C44A O43A K2 C9 -111.7(4) .
C42 O43A K2 C12 83.6(4) .
C44A O43A K2 C12 -59.1(4) .
C47 O46 K2 O70 101.1(3) .
C45A O46 K2 O70 -16.8(5) .
C47 O46 K2 O49 -28.0(3) .
C45A O46 K2 O49 -146.0(4) .
C47 O46 K2 O43A 146.9(3) .
C45A O46 K2 O43A 29.0(4) .
C47 O46 K2 F11 54.8(3) 3
C45A O46 K2 F11 -63.1(4) 3
C47 O46 K2 O20 -6.9(3) .
C45A O46 K2 O20 -124.8(4) .
C47 O46 K2 O4 177.9(3) .
C45A O46 K2 O4 59.9(4) .
C47 O46 K2 C13 -111.4(3) .
C45A O46 K2 C13 130.7(4) .
C47 O46 K2 C8 -119.6(3) .
C45A O46 K2 C8 122.4(4) .
C47 O46 K2 C9 -101.7(3) .
C45A O46 K2 C9 140.3(4) .
C47 O46 K2 C12 -88.8(3) .
C45A O46 K2 C12 153.2(4) .
C20 O20 K2 O70 57.2(2) .
C39 O20 K2 O70 -74.8(2) .
C20 O20 K2 O49 -150.6(3) .
C39 O20 K2 O49 77.3(2) .
C20 O20 K2 O43A 79.9(3) .
C39 O20 K2 O43A -52.1(3) .
C20 O20 K2 F11 130.5(2) 3
C39 O20 K2 F11 -1.5(2) 3
C20 O20 K2 O46 -169.1(2) .
C39 O20 K2 O46 58.9(3) .
C20 O20 K2 O4 5.7(3) .
C39 O20 K2 O4 -126.3(2) .
C20 O20 K2 C13 -70.8(2) .
C39 O20 K2 C13 157.2(2) .
C20 O20 K2 C8 -49.2(2) .
C39 O20 K2 C8 178.8(2) .
C20 O20 K2 C9 -47.7(2) .
C39 O20 K2 C9 -179.7(2) .
C20 O20 K2 C12 -90.3(2) .
C39 O20 K2 C12 137.7(2) .
C4 O4 K2 O70 -61.3(2) .
C41 O4 K2 O70 65.0(2) .
C4 O4 K2 O49 113.7(3) .
C41 O4 K2 O49 -120.1(2) .
C4 O4 K2 O43A -161.4(3) .
C41 O4 K2 O43A -35.1(2) .
C4 O4 K2 F11 -107.5(2) 3
C41 O4 K2 F11 18.8(2) 3
C4 O4 K2 O46 167.3(2) .
C41 O4 K2 O46 -66.4(2) .
C4 O4 K2 O20 -8.8(2) .
C41 O4 K2 O20 117.5(2) .
C4 O4 K2 C13 85.6(2) .
C41 O4 K2 C13 -148.1(2) .
C4 O4 K2 C8 63.8(2) .
C41 O4 K2 C8 -170.0(2) .
C4 O4 K2 C9 42.7(2) .
C41 O4 K2 C9 168.9(2) .
C4 O4 K2 C12 83.9(2) .
C41 O4 K2 C12 -149.8(2) .
O13 C13 K2 O70 102.9(2) .
C12 C13 K2 O70 -134.3(2) .
C8 C13 K2 O70 -10.7(3) .
O13 C13 K2 O49 -105.7(2) .
C12 C13 K2 O49 17.0(2) .
C8 C13 K2 O49 140.7(2) .
O13 C13 K2 O43A 10.2(2) .
C12 C13 K2 O43A 133.0(2) .
C8 C13 K2 O43A -103.4(2) .
O13 C13 K2 F11 -87.3(3) 3
C12 C13 K2 F11 35.5(4) 3
C8 C13 K2 F11 159.1(2) 3
O13 C13 K2 O46 -46.9(2) .
C12 C13 K2 O46 75.8(2) .
C8 C13 K2 O46 -160.5(2) .
O13 C13 K2 O20 178.7(2) .
C12 C13 K2 O20 -58.5(2) .
C8 C13 K2 O20 65.1(2) .
O13 C13 K2 O4 61.6(2) .
C12 C13 K2 O4 -175.6(2) .
C8 C13 K2 O4 -52.0(2) .
O13 C13 K2 C8 113.6(3) .
C12 C13 K2 C8 -123.6(3) .
O13 C13 K2 C9 144.8(3) .
C12 C13 K2 C9 -92.4(3) .
C8 C13 K2 C9 31.2(2) .
O13 C13 K2 C12 -122.8(4) .
C8 C13 K2 C12 123.6(3) .
C9 C8 K2 O70 -67.4(2) .
C13 C8 K2 O70 171.5(2) .
C7 C8 K2 O70 53.6(3) .
C9 C8 K2 O49 81.2(2) .
C13 C8 K2 O49 -40.0(2) .
C7 C8 K2 O49 -157.8(2) .
C9 C8 K2 O43A -157.7(2) .
C13 C8 K2 O43A 81.1(2) .
C7 C8 K2 O43A -36.8(3) .
C9 C8 K2 O46 141.9(2) .
C13 C8 K2 O46 20.7(2) .
C7 C8 K2 O46 -97.2(2) .
C9 C8 K2 O20 3.7(2) .
C13 C8 K2 O20 -117.5(2) .
C7 C8 K2 O20 124.6(2) .
C9 C8 K2 O4 -120.0(2) .
C13 C8 K2 O4 118.8(2) .
C7 C8 K2 O4 1.0(2) .
C9 C8 K2 C13 121.2(3) .
C7 C8 K2 C13 -117.9(4) .
C13 C8 K2 C9 -121.2(3) .
C7 C8 K2 C9 120.9(4) .
C9 C8 K2 C12 91.5(2) .
C13 C8 K2 C12 -29.7(2) .
C7 C8 K2 C12 -147.6(3) .
C8 C9 K2 O70 116.9(2) .
C10 C9 K2 O70 -116.7(2) .
C8 C9 K2 O49 -102.6(2) .
C10 C9 K2 O49 23.9(2) .
C8 C9 K2 O43A 26.6(3) .
C10 C9 K2 O43A 153.1(2) .
C8 C9 K2 F11 -179.6(2) 3
C10 C9 K2 F11 -53.1(3) 3
C8 C9 K2 O46 -46.8(3) .
C10 C9 K2 O46 79.6(2) .
C8 C9 K2 O20 -176.0(2) .
C10 C9 K2 O20 -49.6(2) .
C8 C9 K2 O4 51.2(2) .
C10 C9 K2 O4 177.6(2) .
C8 C9 K2 C13 -32.0(2) .
C10 C9 K2 C13 94.4(2) .
C10 C9 K2 C8 126.4(3) .
C8 C9 K2 C12 -64.5(2) .
C10 C9 K2 C12 62.0(2) .
C13 C12 K2 O70 66.0(3) .
C11 C12 K2 O70 -57.8(3) .
C13 C12 K2 O49 -160.6(3) .
C11 C12 K2 O49 75.6(2) .
C13 C12 K2 O43A -52.2(2) .
C11 C12 K2 O43A -176.0(2) .
C13 C12 K2 F11 -161.8(2) 3
C11 C12 K2 F11 74.4(3) 3
C13 C12 K2 O46 -102.1(2) .
C11 C12 K2 O46 134.1(2) .
C13 C12 K2 O20 123.6(2) .
C11 C12 K2 O20 -0.2(2) .
C13 C12 K2 O4 4.2(2) .
C11 C12 K2 O4 -119.6(2) .
C11 C12 K2 C13 -123.8(3) .
C13 C12 K2 C8 30.9(2) .
C11 C12 K2 C8 -92.9(3) .
C13 C12 K2 C9 63.8(2) .
C11 C12 K2 C9 -60.0(2) .
