#------------------------------------------------------------------------------
#$Date: 2016-03-23 20:38:18 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179416 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/13/4331365.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_4331365
loop_
_publ_author_name
'Jinjin Zhang'
'Chunli Jian'
'Yuan Gao'
'Lei Wang'
'Ning Tang'
'Jincai Wu'
_publ_section_title
;
 Synthesis and Characterization of Multi-Alkali-Metal Tetraphenolates and
 Application in Ring-Opening Polymerization of Lactide
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              13380
_journal_page_last               13389
_journal_paper_doi               10.1021/ic302193y
_journal_volume                  51
_journal_year                    2012
_chemical_formula_sum            'C88 H132 K3 O10'
_chemical_formula_weight         1467.24
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           9
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 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                 106.594(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   35.298(9)
_cell_length_b                   14.342(4)
_cell_length_c                   19.574(5)
_cell_measurement_reflns_used    3000
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      18.03
_cell_measurement_theta_min      2.30
_cell_volume                     9497(4)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.977
_diffrn_measured_fraction_theta_max 0.977
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0848
_diffrn_reflns_av_sigmaI/netI    0.1553
_diffrn_reflns_limit_h_max       37
_diffrn_reflns_limit_h_min       -44
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            23971
_diffrn_reflns_theta_full        26.49
_diffrn_reflns_theta_max         26.49
_diffrn_reflns_theta_min         2.30
_exptl_absorpt_coefficient_mu    0.192
_exptl_absorpt_correction_T_max  0.9607
_exptl_absorpt_correction_T_min  0.9357
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.026
_exptl_crystal_description       block
_exptl_crystal_F_000             3188
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.21
_refine_diff_density_max         0.418
_refine_diff_density_min         -0.249
_refine_diff_density_rms         0.055
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.05(7)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.947
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     894
_refine_ls_number_reflns         14265
_refine_ls_number_restraints     266
_refine_ls_restrained_S_all      0.955
_refine_ls_R_factor_all          0.2214
_refine_ls_R_factor_gt           0.0826
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1193P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1839
_refine_ls_wR_factor_ref         0.2548
_reflns_number_gt                5414
_reflns_number_total             14265
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic302193y_si_001_7.cif
_cod_data_source_block           m-3k
_cod_database_code               4331365
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'x, -y, z+1/2'
'x+1/2, y+1/2, z'
'x+1/2, -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
O5 O 0.2118(3) 0.4177(10) 0.2024(5) 0.192(5) Uani 1 1 d GU
C65 C 0.2046(6) 0.3700(9) 0.1363(8) 0.266(10) Uani 1 1 d GU
H65A H 0.1885 0.3151 0.1363 0.319 Uiso 1 1 calc R
H65B H 0.2294 0.3502 0.1289 0.319 Uiso 1 1 calc R
C66 C 0.1846(6) 0.4320(14) 0.0813(4) 0.297(12) Uani 1 1 d GU
H66A H 0.1591 0.4063 0.0554 0.357 Uiso 1 1 calc R
H66B H 0.2000 0.4414 0.0480 0.357 Uiso 1 1 calc R
C67 C 0.1794(7) 0.5181(11) 0.1133(9) 0.299(12) Uani 1 1 d GU
H67A H 0.1924 0.5679 0.0951 0.359 Uiso 1 1 calc R
H67B H 0.1515 0.5328 0.1025 0.359 Uiso 1 1 calc R
C68 C 0.1962(6) 0.5092(10) 0.1882(8) 0.295(11) Uani 1 1 d GU
H68A H 0.1762 0.5198 0.2125 0.354 Uiso 1 1 calc R
H68B H 0.2171 0.5549 0.2050 0.354 Uiso 1 1 calc R
O7 O 0.4760(3) 0.2487(6) 0.3023(5) 0.138(3) Uani 1 1 d GU
C77 C 0.4926(4) 0.3363(6) 0.2929(7) 0.169(6) Uani 1 1 d GU
H77A H 0.4721 0.3836 0.2811 0.202 Uiso 1 1 calc R
H77B H 0.5122 0.3547 0.3366 0.202 Uiso 1 1 calc R
C78 C 0.5104(5) 0.3272(9) 0.2368(8) 0.210(7) Uani 1 1 d GU
H78A H 0.5384 0.3414 0.2541 0.252 Uiso 1 1 calc R
H78B H 0.4984 0.3703 0.1986 0.252 Uiso 1 1 calc R
C79 C 0.5049(5) 0.2340(11) 0.2114(8) 0.249(9) Uani 1 1 d GU
H79A H 0.5303 0.2044 0.2168 0.298 Uiso 1 1 calc R
H79B H 0.4902 0.2333 0.1613 0.298 Uiso 1 1 calc R
C80 C 0.4836(4) 0.1855(7) 0.2519(8) 0.206(7) Uani 1 1 d GU
H80A H 0.4589 0.1620 0.2208 0.248 Uiso 1 1 calc R
H80B H 0.4990 0.1330 0.2763 0.248 Uiso 1 1 calc R
O10 O 0.2896(3) -0.0858(6) 0.2523(7) 0.171(4) Uani 1 1 d GU
C85 C 0.2785(5) -0.1202(10) 0.3119(6) 0.212(7) Uani 1 1 d GU
H85A H 0.3013 -0.1213 0.3537 0.254 Uiso 1 1 calc R
H85B H 0.2585 -0.0801 0.3217 0.254 Uiso 1 1 calc R
C86 C 0.2633(6) -0.2117(10) 0.2954(10) 0.301(11) Uani 1 1 d GU
H86A H 0.2362 -0.2147 0.2976 0.361 Uiso 1 1 calc R
H86B H 0.2790 -0.2559 0.3296 0.361 Uiso 1 1 calc R
C87 C 0.2650(7) -0.2339(8) 0.2257(10) 0.284(10) Uani 1 1 d GU
H87A H 0.2814 -0.2885 0.2270 0.341 Uiso 1 1 calc R
H87B H 0.2387 -0.2473 0.1950 0.341 Uiso 1 1 calc R
C88 C 0.2812(6) -0.1561(10) 0.1990(7) 0.214(7) Uani 1 1 d GU
H88A H 0.2625 -0.1330 0.1558 0.257 Uiso 1 1 calc R
H88B H 0.3052 -0.1742 0.1878 0.257 Uiso 1 1 calc R
O6 O 0.2754(2) 0.5211(5) 0.3777(4) 0.131(3) Uani 1 1 d GU
C69 C 0.2507(2) 0.5601(7) 0.4162(6) 0.148(5) Uani 1 1 d GU
H69A H 0.2311 0.6006 0.3854 0.177 Uiso 1 1 calc R
H69B H 0.2371 0.5109 0.4336 0.177 Uiso 1 1 calc R
C70 C 0.2750(3) 0.6117(8) 0.4742(6) 0.170(6) Uani 1 1 d GU
H70A H 0.2667 0.6765 0.4707 0.204 Uiso 1 1 calc R
H70B H 0.2727 0.5868 0.5189 0.204 Uiso 1 1 calc R
C71 C 0.3146(3) 0.6047(8) 0.4716(5) 0.168(6) Uani 1 1 d GU
H71A H 0.3310 0.5764 0.5151 0.201 Uiso 1 1 calc R
H71B H 0.3251 0.6662 0.4669 0.201 Uiso 1 1 calc R
C72 C 0.3149(2) 0.5487(6) 0.4119(5) 0.128(4) Uani 1 1 d GU
H72A H 0.3314 0.4942 0.4274 0.153 Uiso 1 1 calc R
H72B H 0.3255 0.5839 0.3792 0.153 Uiso 1 1 calc R
K1 K 0.25517(7) 0.34654(13) 0.32723(11) 0.0779(7) Uani 1 1 d .
K2 K 0.43350(6) 0.21165(17) 0.39099(12) 0.0881(7) Uani 1 1 d .
K3 K 0.32338(7) 0.09455(16) 0.27256(11) 0.0849(7) Uani 1 1 d .
O1 O 0.20257(15) 0.2156(3) 0.3252(3) 0.0546(14) Uani 1 1 d .
O2 O 0.17645(18) 0.3458(4) 0.3750(3) 0.0669(16) Uani 1 1 d .
H2A H 0.1841 0.2946 0.3616 0.100 Uiso 1 1 d R
O3 O 0.37891(15) 0.0813(4) 0.3900(2) 0.0552(14) Uani 1 1 d .
O4 O 0.31956(17) 0.2728(4) 0.3011(3) 0.0618(15) Uani 1 1 d .
O8 O 0.5010(2) 0.2047(6) 0.4961(5) 0.125(3) Uani 1 1 d U
O9 O 0.3035(4) 0.0768(9) 0.1263(5) 0.174(4) Uani 1 1 d U
C1 C 0.2722(2) 0.2084(5) 0.4617(4) 0.0404(18) Uani 1 1 d .
H1 H 0.2687 0.1547 0.4340 0.048 Uiso 1 1 calc R
C2 C 0.2410(2) 0.2404(5) 0.4852(4) 0.0397(17) Uani 1 1 d .
C3 C 0.2474(3) 0.3171(6) 0.5299(5) 0.066(2) Uani 1 1 d .
H3 H 0.2271 0.3395 0.5470 0.079 Uiso 1 1 calc R
C4 C 0.2845(3) 0.3611(7) 0.5496(5) 0.074(3) Uani 1 1 d .
H4 H 0.2890 0.4115 0.5808 0.089 Uiso 1 1 calc R
C5 C 0.3138(2) 0.3299(6) 0.5230(4) 0.059(2) Uani 1 1 d .
H5 H 0.3379 0.3609 0.5355 0.071 Uiso 1 1 calc R
C6 C 0.3089(2) 0.2539(5) 0.4782(4) 0.0391(17) Uani 1 1 d .
C7 C 0.2022(2) 0.1880(5) 0.4728(4) 0.0449(18) Uani 1 1 d .
H7 H 0.2055 0.1516 0.5165 0.054 Uiso 1 1 calc R
C8 C 0.1919(2) 0.1156(5) 0.4131(4) 0.0417(18) Uani 1 1 d .
C9 C 0.1917(2) 0.1319(5) 0.3427(4) 0.0451(19) Uani 1 1 d .
C10 C 0.1799(2) 0.0607(5) 0.2920(4) 0.052(2) Uani 1 1 d .
C11 C 0.1670(2) -0.0237(6) 0.3123(5) 0.063(2) Uani 1 1 d .
H11 H 0.1573 -0.0689 0.2776 0.076 Uiso 1 1 calc R
C12 C 0.1680(2) -0.0431(6) 0.3820(5) 0.059(2) Uani 1 1 d .
C13 C 0.1796(2) 0.0279(6) 0.4299(4) 0.051(2) Uani 1 1 d .
H13 H 0.1793 0.0174 0.4766 0.062 Uiso 1 1 calc R
C14 C 0.1673(2) 0.2538(5) 0.4705(4) 0.0459(19) Uani 1 1 d .
C15 C 0.1551(2) 0.3278(5) 0.4210(5) 0.053(2) Uani 1 1 d .
C16 C 0.1234(3) 0.3821(6) 0.4222(5) 0.065(2) Uani 1 1 d .
C17 C 0.1032(3) 0.3637(7) 0.4693(5) 0.079(3) Uani 1 1 d .
H17 H 0.0813 0.4005 0.4682 0.095 Uiso 1 1 calc R
C18 C 0.1134(3) 0.2911(7) 0.5206(5) 0.072(3) Uani 1 1 d .
C19 C 0.1450(2) 0.2400(6) 0.5177(4) 0.060(2) Uani 1 1 d .
H19 H 0.1525 0.1914 0.5501 0.072 Uiso 1 1 calc R
C20 C 0.3401(2) 0.2188(5) 0.4455(4) 0.0455(18) Uani 1 1 d .
H20 H 0.3261 0.1825 0.4035 0.055 Uiso 1 1 calc R
C21 C 0.3698(2) 0.1521(5) 0.4932(4) 0.0441(18) Uani 1 1 d .
C22 C 0.3872(2) 0.0823(5) 0.4603(4) 0.0429(18) Uani 1 1 d .
C23 C 0.4121(2) 0.0154(6) 0.5055(4) 0.059(2) Uani 1 1 d .
C24 C 0.4206(2) 0.0267(7) 0.5770(4) 0.064(2) Uani 1 1 d .
H24 H 0.4375 -0.0167 0.6055 0.076 Uiso 1 1 calc R
C25 C 0.4065(3) 0.0962(6) 0.6111(4) 0.060(2) Uani 1 1 d .
C26 C 0.3800(2) 0.1589(6) 0.5675(4) 0.051(2) Uani 1 1 d .
H26 H 0.3690 0.2061 0.5883 0.061 Uiso 1 1 calc R
C27 C 0.3610(2) 0.2992(5) 0.4174(4) 0.048(2) Uani 1 1 d .
C28 C 0.3491(3) 0.3191(6) 0.3449(5) 0.057(2) Uani 1 1 d .
C29 C 0.3709(3) 0.3905(6) 0.3202(4) 0.067(2) Uani 1 1 d .
C30 C 0.4009(3) 0.4380(6) 0.3707(6) 0.074(3) Uani 1 1 d .
H30 H 0.4141 0.4854 0.3543 0.088 Uiso 1 1 calc R
C31 C 0.4123(3) 0.4196(6) 0.4426(5) 0.063(2) Uani 1 1 d .
C32 C 0.3914(3) 0.3488(6) 0.4643(5) 0.058(2) Uani 1 1 d .
H32 H 0.3981 0.3338 0.5125 0.070 Uiso 1 1 calc R
C33 C 0.1772(3) 0.0817(6) 0.2134(5) 0.078(3) Uani 1 1 d .
C34 C 0.1486(3) 0.1577(8) 0.1844(5) 0.101(4) Uani 1 1 d .
H34A H 0.1544 0.2104 0.2159 0.152 Uiso 1 1 calc R
H34B H 0.1222 0.1362 0.1802 0.152 Uiso 1 1 calc R
H34C H 0.1505 0.1756 0.1382 0.152 Uiso 1 1 calc R
C35 C 0.2191(4) 0.1097(7) 0.2073(6) 0.098(4) Uani 1 1 d .
H35A H 0.2282 0.1642 0.2357 0.147 Uiso 1 1 calc R
H35B H 0.2174 0.1227 0.1584 0.147 Uiso 1 1 calc R
H35C H 0.2372 0.0593 0.2241 0.147 Uiso 1 1 calc R
C36 C 0.1629(5) -0.0089(9) 0.1649(6) 0.138(5) Uani 1 1 d .
H36A H 0.1375 -0.0284 0.1687 0.207 Uiso 1 1 calc R
H36B H 0.1817 -0.0583 0.1809 0.207 Uiso 1 1 calc R
H36C H 0.1608 0.0056 0.1161 0.207 Uiso 1 1 calc R
C37 C 0.1547(4) -0.1353(7) 0.4019(6) 0.101(3) Uani 1 1 d U
C38 C 0.1849(7) -0.2132(11) 0.3941(17) 0.281(11) Uani 1 1 d U
H38A H 0.1765 -0.2726 0.4071 0.422 Uiso 1 1 calc R
H38B H 0.2107 -0.1989 0.4249 0.422 Uiso 1 1 calc R
H38C H 0.1858 -0.2154 0.3456 0.422 Uiso 1 1 calc R
C39 C 0.1180(5) -0.1724(13) 0.3494(11) 0.229(9) Uani 1 1 d U
H39A H 0.0951 -0.1447 0.3586 0.344 Uiso 1 1 calc R
H39B H 0.1169 -0.2388 0.3543 0.344 Uiso 1 1 calc R
H39C H 0.1184 -0.1572 0.3019 0.344 Uiso 1 1 calc R
C40 C 0.1523(10) -0.1410(13) 0.4707(10) 0.316(13) Uani 1 1 d U
H40A H 0.1331 -0.0968 0.4772 0.474 Uiso 1 1 calc R
H40B H 0.1776 -0.1272 0.5034 0.474 Uiso 1 1 calc R
H40C H 0.1443 -0.2028 0.4796 0.474 Uiso 1 1 calc R
C41 C 0.1080(3) 0.4583(7) 0.3631(5) 0.077(3) Uani 1 1 d .
C42 C 0.1411(4) 0.5315(7) 0.3693(7) 0.116(4) Uani 1 1 d .
H42A H 0.1473 0.5607 0.4153 0.175 Uiso 1 1 calc R
H42B H 0.1323 0.5779 0.3329 0.175 Uiso 1 1 calc R
H42C H 0.1643 0.5013 0.3636 0.175 Uiso 1 1 calc R
C43 C 0.0969(4) 0.4123(7) 0.2906(5) 0.106(4) Uani 1 1 d .
H43A H 0.0836 0.4567 0.2550 0.159 Uiso 1 1 calc R
H43B H 0.0797 0.3605 0.2905 0.159 Uiso 1 1 calc R
H43C H 0.1204 0.3906 0.2801 0.159 Uiso 1 1 calc R
C44 C 0.0707(4) 0.5087(10) 0.3725(8) 0.152(6) Uani 1 1 d .
H44A H 0.0762 0.5319 0.4204 0.228 Uiso 1 1 calc R
H44B H 0.0491 0.4655 0.3634 0.228 Uiso 1 1 calc R
H44C H 0.0639 0.5598 0.3396 0.228 Uiso 1 1 calc R
C45 C 0.0913(4) 0.2762(11) 0.5756(8) 0.128(5) Uani 1 1 d .
C46 C 0.1193(6) 0.2640(16) 0.6488(9) 0.214(11) Uani 1 1 d .
H46A H 0.1313 0.3229 0.6658 0.321 Uiso 1 1 calc R
H46B H 0.1395 0.2201 0.6468 0.321 Uiso 1 1 calc R
H46C H 0.1052 0.2413 0.6805 0.321 Uiso 1 1 calc R
C47 C 0.0701(7) 0.1847(17) 0.5640(13) 0.262(15) Uani 1 1 d .
H47A H 0.0451 0.1918 0.5284 0.393 Uiso 1 1 calc R
H47B H 0.0657 0.1642 0.6078 0.393 Uiso 1 1 calc R
H47C H 0.0858 0.1394 0.5483 0.393 Uiso 1 1 calc R
C48 C 0.0670(7) 0.3611(15) 0.5853(13) 0.270(15) Uani 1 1 d .
H48A H 0.0424 0.3619 0.5482 0.404 Uiso 1 1 calc R
H48B H 0.0815 0.4170 0.5830 0.404 Uiso 1 1 calc R
H48C H 0.0619 0.3575 0.6309 0.404 Uiso 1 1 calc R
C49 C 0.4283(3) -0.0683(7) 0.4715(5) 0.071(3) Uani 1 1 d .
C50 C 0.3937(4) -0.1219(7) 0.4233(6) 0.097(3) Uani 1 1 d .
H50A H 0.3809 -0.0843 0.3826 0.146 Uiso 1 1 calc R
H50B H 0.3751 -0.1369 0.4491 0.146 Uiso 1 1 calc R
H50C H 0.4031 -0.1784 0.4076 0.146 Uiso 1 1 calc R
C51 C 0.4498(4) -0.1382(8) 0.5298(6) 0.110(4) Uani 1 1 d .
H51A H 0.4575 -0.1920 0.5078 0.164 Uiso 1 1 calc R
H51B H 0.4324 -0.1569 0.5570 0.164 Uiso 1 1 calc R
H51C H 0.4728 -0.1091 0.5607 0.164 Uiso 1 1 calc R
C52 C 0.4550(3) -0.0364(8) 0.4294(5) 0.086(3) Uani 1 1 d .
H52A H 0.4406 0.0032 0.3912 0.129 Uiso 1 1 calc R
H52B H 0.4649 -0.0895 0.4100 0.129 Uiso 1 1 calc R
H52C H 0.4767 -0.0023 0.4598 0.129 Uiso 1 1 calc R
C53 C 0.4178(3) 0.1037(8) 0.6937(5) 0.081(3) Uani 1 1 d .
C54 C 0.4049(5) 0.1965(11) 0.7169(5) 0.155(7) Uani 1 1 d .
H54A H 0.3765 0.1997 0.7027 0.232 Uiso 1 1 calc R
H54B H 0.4152 0.2464 0.6950 0.232 Uiso 1 1 calc R
H54C H 0.4146 0.2020 0.7678 0.232 Uiso 1 1 calc R
C55 C 0.3972(4) 0.0267(12) 0.7215(6) 0.141(5) Uani 1 1 d .
C56 C 0.4623(3) 0.0956(9) 0.7242(6) 0.108(4) Uani 1 1 d .
H56A H 0.4690 0.0957 0.7753 0.162 Uiso 1 1 calc R
H56B H 0.4748 0.1474 0.7084 0.162 Uiso 1 1 calc R
H56C H 0.4711 0.0385 0.7083 0.162 Uiso 1 1 calc R
C57 C 0.3597(3) 0.4150(9) 0.2400(6) 0.093(3) Uani 1 1 d .
C58 C 0.3170(4) 0.4465(11) 0.2141(7) 0.147(6) Uani 1 1 d .
H58A H 0.3128 0.4973 0.2431 0.220 Uiso 1 1 calc R
H58B H 0.2999 0.3956 0.2173 0.220 Uiso 1 1 calc R
H58C H 0.3111 0.4667 0.1654 0.220 Uiso 1 1 calc R
C59 C 0.3691(5) 0.3280(11) 0.1998(6) 0.139(6) Uani 1 1 d .
H59A H 0.3957 0.3078 0.2220 0.209 Uiso 1 1 calc R
H59B H 0.3663 0.3440 0.1510 0.209 Uiso 1 1 calc R
H59C H 0.3511 0.2785 0.2017 0.209 Uiso 1 1 calc R
C60 C 0.3855(5) 0.4993(10) 0.2245(7) 0.156(6) Uani 1 1 d .
H60A H 0.3807 0.5540 0.2491 0.234 Uiso 1 1 calc R
H60B H 0.3783 0.5113 0.1742 0.234 Uiso 1 1 calc R
H60C H 0.4130 0.4833 0.2409 0.234 Uiso 1 1 calc R
C61 C 0.4442(3) 0.4771(8) 0.4936(7) 0.099(4) Uani 1 1 d .
C62 C 0.4825(4) 0.4663(12) 0.4751(9) 0.163(6) Uani 1 1 d .
H62A H 0.5022 0.5061 0.5051 0.244 Uiso 1 1 calc R
H62B H 0.4786 0.4831 0.4261 0.244 Uiso 1 1 calc R
H62C H 0.4911 0.4026 0.4822 0.244 Uiso 1 1 calc R
C63 C 0.4356(7) 0.5805(10) 0.4845(14) 0.268(13) Uani 1 1 d .
H63A H 0.4501 0.6129 0.5267 0.402 Uiso 1 1 calc R
H63B H 0.4078 0.5909 0.4767 0.402 Uiso 1 1 calc R
H63C H 0.4433 0.6031 0.4443 0.402 Uiso 1 1 calc R
C64 C 0.4515(5) 0.4492(12) 0.5666(9) 0.175(8) Uani 1 1 d .
H64A H 0.4488 0.3827 0.5690 0.263 Uiso 1 1 calc R
H64B H 0.4327 0.4790 0.5866 0.263 Uiso 1 1 calc R
H64C H 0.4778 0.4671 0.5931 0.263 Uiso 1 1 calc R
C73 C 0.5005(5) 0.1785(13) 0.5635(9) 0.160(5) Uani 1 1 d U
H73A H 0.4816 0.1284 0.5600 0.192 Uiso 1 1 calc R
H73B H 0.4921 0.2308 0.5870 0.192 Uiso 1 1 calc R
C74 C 0.5370(7) 0.1494(19) 0.6034(10) 0.222(8) Uani 1 1 d U
H74A H 0.5450 0.1856 0.6470 0.266 Uiso 1 1 calc R
H74B H 0.5355 0.0845 0.6164 0.266 Uiso 1 1 calc R
C75 C 0.5639(6) 0.1585(19) 0.5685(14) 0.230(9) Uani 1 1 d U
H75A H 0.5734 0.0980 0.5586 0.276 Uiso 1 1 calc R
H75B H 0.5861 0.1952 0.5959 0.276 Uiso 1 1 calc R
C76 C 0.5415(5) 0.2103(15) 0.4968(11) 0.188(6) Uani 1 1 d U
H76A H 0.5500 0.2746 0.4974 0.225 Uiso 1 1 calc R
H76B H 0.5458 0.1791 0.4557 0.225 Uiso 1 1 calc R
C81 C 0.2892(6) 0.0026(11) 0.0758(9) 0.182(6) Uani 1 1 d U
H81A H 0.2616 -0.0109 0.0703 0.218 Uiso 1 1 calc R
H81B H 0.3047 -0.0538 0.0897 0.218 Uiso 1 1 calc R
C82 C 0.2949(7) 0.0426(12) 0.0115(8) 0.188(7) Uani 1 1 d U
H82A H 0.3139 0.0065 -0.0049 0.226 Uiso 1 1 calc R
H82B H 0.2702 0.0447 -0.0262 0.226 Uiso 1 1 calc R
C83 C 0.3084(9) 0.1280(14) 0.0302(13) 0.225(8) Uani 1 1 d U
H83A H 0.2975 0.1716 -0.0083 0.270 Uiso 1 1 calc R
H83B H 0.3370 0.1293 0.0412 0.270 Uiso 1 1 calc R
C84 C 0.2961(9) 0.1530(14) 0.0933(11) 0.226(8) Uani 1 1 d U
H84A H 0.3118 0.2038 0.1199 0.272 Uiso 1 1 calc R
H84B H 0.2683 0.1689 0.0812 0.272 Uiso 1 1 calc R
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 '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 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
K K 0.2009 0.2494 '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
C65 O5 C68 108.0 . .
C65 O5 K1 123.5(9) . .
C68 O5 K1 128.1(9) . .
O5 C65 C66 108.0 . .
O5 C65 H65A 110.1 . .
C66 C65 H65A 110.1 . .
O5 C65 H65B 110.1 . .
C66 C65 H65B 110.1 . .
H65A C65 H65B 108.4 . .
C65 C66 C67 108.0 . .
C65 C66 H66A 110.1 . .
C67 C66 H66A 110.1 . .
C65 C66 H66B 110.1 . .
C67 C66 H66B 110.1 . .
H66A C66 H66B 108.4 . .
C68 C67 C66 108.0 . .
C68 C67 H67A 110.1 . .
C66 C67 H67A 110.1 . .
C68 C67 H67B 110.1 . .
C66 C67 H67B 110.1 . .
H67A C67 H67B 108.4 . .
C67 C68 O5 108.0 . .
C67 C68 H68A 110.1 . .
O5 C68 H68A 110.1 . .
C67 C68 H68B 110.1 . .
O5 C68 H68B 110.1 . .
H68A C68 H68B 108.4 . .
C77 O7 C80 108.0 . .
C77 O7 K2 126.3(6) . .
C80 O7 K2 125.5(6) . .
C78 C77 O7 108.0 . .
C78 C77 H77A 110.1 . .
O7 C77 H77A 110.1 . .
C78 C77 H77B 110.1 . .
O7 C77 H77B 110.1 . .
H77A C77 H77B 108.4 . .
C77 C78 C79 108.0 . .
C77 C78 H78A 110.1 . .
C79 C78 H78A 110.1 . .
C77 C78 H78B 110.1 . .
C79 C78 H78B 110.1 . .
H78A C78 H78B 108.4 . .
C78 C79 C80 108.0 . .
C78 C79 H79A 110.1 . .
C80 C79 H79A 110.1 . .
C78 C79 H79B 110.1 . .
C80 C79 H79B 110.1 . .
H79A C79 H79B 108.4 . .
O7 C80 C79 108.0 . .
O7 C80 H80A 110.1 . .
C79 C80 H80A 110.1 . .
O7 C80 H80B 110.1 . .
C79 C80 H80B 110.1 . .
H80A C80 H80B 108.4 . .
C88 O10 C85 108.0 . .
C88 O10 K3 138.0(8) . .
C85 O10 K3 113.9(8) . .
C86 C85 O10 108.0 . .
C86 C85 H85A 110.1 . .
O10 C85 H85A 110.1 . .
C86 C85 H85B 110.1 . .
O10 C85 H85B 110.1 . .
H85A C85 H85B 108.4 . .
C85 C86 C87 108.0 . .
C85 C86 H86A 110.1 . .
C87 C86 H86A 110.1 . .
C85 C86 H86B 110.1 . .
C87 C86 H86B 110.1 . .
H86A C86 H86B 108.4 . .
C88 C87 C86 108.0 . .
C88 C87 H87A 110.1 . .
C86 C87 H87A 110.1 . .
C88 C87 H87B 110.1 . .
C86 C87 H87B 110.1 . .
H87A C87 H87B 108.4 . .
C87 C88 O10 108.0 . .
C87 C88 H88A 110.1 . .
O10 C88 H88A 110.1 . .
C87 C88 H88B 110.1 . .
O10 C88 H88B 110.1 . .
H88A C88 H88B 108.4 . .
C72 O6 C69 108.0 . .
C72 O6 K1 123.4(5) . .
C69 O6 K1 114.7(5) . .
C70 C69 O6 108.0 . .
C70 C69 H69A 110.1 . .
O6 C69 H69A 110.1 . .
C70 C69 H69B 110.1 . .
O6 C69 H69B 110.1 . .
H69A C69 H69B 108.4 . .
C71 C70 C69 108.0 . .
C71 C70 H70A 110.1 . .
C69 C70 H70A 110.1 . .
C71 C70 H70B 110.1 . .
C69 C70 H70B 110.1 . .
H70A C70 H70B 108.4 . .
C70 C71 C72 108.0 . .
C70 C71 H71A 110.1 . .
C72 C71 H71A 110.1 . .
C70 C71 H71B 110.1 . .
C72 C71 H71B 110.1 . .
H71A C71 H71B 108.4 . .
C71 C72 O6 108.0 . .
C71 C72 H72A 110.1 . .
O6 C72 H72A 110.1 . .
C71 C72 H72B 110.1 . .
O6 C72 H72B 110.1 . .
H72A C72 H72B 108.4 . .
O1 K1 O4 110.36(18) . .
O1 K1 O5 92.4(3) . .
O4 K1 O5 105.6(3) . .
O1 K1 O6 140.9(2) . .
O4 K1 O6 106.4(2) . .
O5 K1 O6 90.2(4) . .
O1 K1 O2 47.88(15) . .
O4 K1 O2 156.13(16) . .
O5 K1 O2 87.1(3) . .
O6 K1 O2 93.3(2) . .
O1 K1 C28 127.4(2) . .
O4 K1 C28 23.27(17) . .
O5 K1 C28 116.1(3) . .
O6 K1 C28 85.3(2) . .
O2 K1 C28 156.65(18) . .
O1 K1 C6 87.06(18) . .
O4 K1 C6 73.20(17) . .
O5 K1 C6 178.4(3) . .
O6 K1 C6 91.2(2) . .
O2 K1 C6 93.57(17) . .
C28 K1 C6 63.21(19) . .
O1 K1 K3 81.43(12) . .
O4 K1 K3 28.96(13) . .
O5 K1 K3 106.5(3) . .
O6 K1 K3 134.7(2) . .
O2 K1 K3 128.42(11) . .
C28 K1 K3 49.46(16) . .
C6 K1 K3 71.90(13) . .
O1 K1 H2A 32.9 . .
O4 K1 H2A 141.7 . .
O5 K1 H2A 90.2 . .
O6 K1 H2A 108.1 . .
O2 K1 H2A 15.1 . .
C28 K1 H2A 150.9 . .
C6 K1 H2A 90.2 . .
K3 K1 H2A 113.4 . .
O7 K2 O8 87.9(3) . .
O7 K2 O3 132.4(3) . .
O8 K2 O3 117.5(2) . .
O7 K2 C27 133.9(3) . .
O8 K2 C27 119.8(3) . .
O3 K2 C27 69.48(18) . .
O7 K2 C22 153.1(3) . .
O8 K2 C22 96.3(2) . .
O3 K2 C22 25.80(16) . .
C27 K2 C22 65.7(2) . .
O7 K2 C28 111.6(3) . .
O8 K2 C28 141.2(3) . .
O3 K2 C28 74.24(19) . .
C27 K2 C28 25.30(19) . .
C22 K2 C28 81.1(2) . .
O7 K2 C31 103.8(3) . .
O8 K2 C31 91.6(3) . .
O3 K2 C31 114.01(19) . .
C27 K2 C31 45.3(2) . .
C22 K2 C31 102.6(2) . .
C28 K2 C31 52.1(2) . .
O7 K2 C29 90.3(3) . .
O8 K2 C29 132.3(3) . .
O3 K2 C29 98.1(2) . .
C27 K2 C29 43.6(2) . .
C22 K2 C29 105.8(2) . .
C28 K2 C29 24.9(2) . .
C31 K2 C29 42.9(2) . .
O7 K2 C21 174.0(3) . .
O8 K2 C21 97.3(2) . .
O3 K2 C21 42.21(16) . .
C27 K2 C21 45.10(19) . .
C22 K2 C21 23.62(17) . .
C28 K2 C21 65.70(19) . .
C31 K2 C21 78.9(2) . .
C29 K2 C21 88.22(19) . .
O7 K2 K3 108.8(2) . .
O8 K2 K3 151.6(2) . .
O3 K2 K3 34.84(11) . .
C27 K2 K3 64.65(16) . .
C22 K2 K3 58.58(14) . .
C28 K2 K3 54.09(17) . .
C31 K2 K3 105.74(17) . .
C29 K2 K3 72.01(17) . .
C21 K2 K3 65.28(13) . .
O3 K3 O4 87.37(17) . .
O3 K3 O9 145.7(3) . .
O4 K3 O9 107.3(3) . .
O3 K3 O10 104.0(3) . .
O4 K3 O10 150.9(3) . .
O9 K3 O10 78.3(4) . .
O3 K3 C84 147.6(5) . .
O4 K3 C84 87.9(3) . .
O9 K3 C84 19.4(3) . .
O10 K3 C84 95.5(4) . .
O3 K3 C55 77.2(2) . 2_554
O4 K3 C55 129.1(3) . 2_554
O9 K3 C55 69.4(3) . 2_554
O10 K3 C55 79.9(4) . 2_554
C84 K3 C55 81.1(5) . 2_554
O3 K3 C28 70.44(19) . .
O4 K3 C28 18.30(17) . .
O9 K3 C28 117.4(3) . .
O10 K3 C28 160.1(3) . .
C84 K3 C28 98.6(4) . .
C55 K3 C28 116.1(3) 2_554 .
O3 K3 K2 36.62(13) . .
O4 K3 K2 66.12(14) . .
O9 K3 K2 121.6(3) . .
O10 K3 K2 136.0(2) . .
C84 K3 K2 113.7(5) . .
C55 K3 K2 73.4(2) 2_554 .
C28 K3 K2 48.10(15) . .
O3 K3 K1 99.50(13) . .
O4 K3 K1 29.65(13) . .
O9 K3 K1 108.5(2) . .
O10 K3 K1 121.3(2) . .
C84 K3 K1 91.9(4) . .
C55 K3 K1 158.4(3) 2_554 .
C28 K3 K1 44.54(14) . .
K2 K3 K1 91.17(6) . .
C9 O1 K1 153.0(4) . .
C15 O2 K1 153.7(5) . .
C15 O2 H2A 109.2 . .
K1 O2 H2A 61.8 . .
C22 O3 K3 144.7(5) . .
C22 O3 K2 92.3(4) . .
K3 O3 K2 108.55(19) . .
C28 O4 K3 123.1(5) . .
C28 O4 K1 103.4(5) . .
K3 O4 K1 121.4(2) . .
C73 O8 C76 107.0(13) . .
C73 O8 K2 119.7(9) . .
C76 O8 K2 132.6(10) . .
C84 O9 C81 108.1(14) . .
C84 O9 K3 114.0(11) . .
C81 O9 K3 135.7(10) . .
C2 C1 C6 122.5(7) . .
C2 C1 H1 118.7 . .
C6 C1 H1 118.7 . .
C3 C2 C1 118.1(7) . .
C3 C2 C7 118.0(7) . .
C1 C2 C7 123.3(6) . .
C2 C3 C4 120.1(8) . .
C2 C3 H3 120.0 . .
C4 C3 H3 120.0 . .
C5 C4 C3 119.9(8) . .
C5 C4 H4 120.0 . .
C3 C4 H4 120.0 . .
C4 C5 C6 122.3(8) . .
C4 C5 H5 118.9 . .
C6 C5 H5 118.9 . .
C5 C6 C1 116.9(7) . .
C5 C6 C20 124.1(7) . .
C1 C6 C20 119.0(6) . .
C5 C6 K1 100.8(5) . .
C1 C6 K1 74.0(4) . .
C20 C6 K1 93.3(4) . .
C2 C7 C8 117.6(6) . .
C2 C7 C14 112.2(6) . .
C8 C7 C14 112.4(6) . .
C2 C7 H7 104.3 . .
C8 C7 H7 104.3 . .
C14 C7 H7 104.3 . .
C9 C8 C13 117.9(7) . .
C9 C8 C7 125.1(6) . .
C13 C8 C7 117.0(6) . .
O1 C9 C8 118.9(7) . .
O1 C9 C10 121.5(7) . .
C8 C9 C10 119.5(7) . .
C11 C10 C9 119.2(7) . .
C11 C10 C33 121.4(7) . .
C9 C10 C33 119.0(7) . .
C12 C11 C10 122.5(8) . .
C12 C11 H11 118.7 . .
C10 C11 H11 118.7 . .
C13 C12 C11 116.5(8) . .
C13 C12 C37 122.4(8) . .
C11 C12 C37 121.0(8) . .
C12 C13 C8 124.2(7) . .
C12 C13 H13 117.9 . .
C8 C13 H13 117.9 . .
C19 C14 C15 116.3(7) . .
C19 C14 C7 119.6(7) . .
C15 C14 C7 124.1(7) . .
O2 C15 C16 121.1(8) . .
O2 C15 C14 118.7(7) . .
C16 C15 C14 120.1(8) . .
C17 C16 C15 119.9(9) . .
C17 C16 C41 120.2(8) . .
C15 C16 C41 119.6(8) . .
C16 C17 C18 123.4(9) . .
C16 C17 H17 118.3 . .
C18 C17 H17 118.3 . .
C19 C18 C17 114.5(8) . .
C19 C18 C45 123.7(9) . .
C17 C18 C45 121.8(9) . .
C18 C19 C14 125.7(8) . .
C18 C19 H19 117.1 . .
C14 C19 H19 117.1 . .
C6 C20 C21 114.0(6) . .
C6 C20 C27 112.4(6) . .
C21 C20 C27 111.7(6) . .
C6 C20 H20 106.0 . .
C21 C20 H20 106.0 . .
C27 C20 H20 106.0 . .
C26 C21 C22 120.3(7) . .
C26 C21 C20 121.4(7) . .
C22 C21 C20 118.3(6) . .
C26 C21 K2 123.9(5) . .
C22 C21 K2 58.9(4) . .
C20 C21 K2 86.4(4) . .
O3 C22 C21 118.9(6) . .
O3 C22 C23 123.5(7) . .
C21 C22 C23 117.6(6) . .
O3 C22 K2 61.9(4) . .
C21 C22 K2 97.4(4) . .
C23 C22 K2 112.0(5) . .
C24 C23 C22 118.4(8) . .
C24 C23 C49 122.2(7) . .
C22 C23 C49 119.4(7) . .
C23 C24 C25 126.0(8) . .
C23 C24 H24 117.0 . .
C25 C24 H24 117.0 . .
C24 C25 C26 116.3(7) . .
C24 C25 C53 122.4(8) . .
C26 C25 C53 121.3(8) . .
C25 C26 C21 121.2(7) . .
C25 C26 H26 119.4 . .
C21 C26 H26 119.4 . .
C28 C27 C32 121.4(7) . .
C28 C27 C20 118.6(7) . .
C32 C27 C20 120.0(7) . .
C28 C27 K2 86.3(5) . .
C32 C27 K2 78.2(5) . .
C20 C27 K2 105.2(4) . .
O4 C28 C27 120.8(7) . .
O4 C28 C29 122.4(7) . .
C27 C28 C29 116.8(8) . .
O4 C28 K2 115.7(5) . .
C27 C28 K2 68.4(4) . .
C29 C28 K2 83.9(5) . .
O4 C28 K1 53.3(4) . .
C27 C28 K1 97.8(5) . .
C29 C28 K1 120.2(6) . .
K2 C28 K1 155.9(3) . .
O4 C28 K3 38.6(4) . .
C27 C28 K3 101.0(5) . .
C29 C28 K3 127.8(5) . .
K2 C28 K3 77.82(18) . .
K1 C28 K3 86.0(2) . .
C30 C29 C28 118.5(8) . .
C30 C29 C57 121.9(8) . .
C28 C29 C57 119.6(9) . .
C30 C29 K2 79.0(6) . .
C28 C29 K2 71.1(5) . .
C57 C29 K2 122.2(7) . .
C31 C30 C29 124.7(9) . .
C31 C30 H30 117.6 . .
C29 C30 H30 117.6 . .
C30 C31 C32 115.3(8) . .
C30 C31 C61 121.0(9) . .
C32 C31 C61 123.6(9) . .
C30 C31 K2 83.4(5) . .
C32 C31 K2 67.6(4) . .
C61 C31 K2 120.1(7) . .
C31 C32 C27 123.2(8) . .
C31 C32 H32 118.4 . .
C27 C32 H32 118.4 . .
C34 C33 C10 111.5(8) . .
C34 C33 C35 109.7(9) . .
C10 C33 C35 109.5(8) . .
C34 C33 C36 107.7(9) . .
C10 C33 C36 110.5(8) . .
C35 C33 C36 107.9(9) . .
C33 C34 H34A 109.5 . .
C33 C34 H34B 109.5 . .
H34A C34 H34B 109.5 . .
C33 C34 H34C 109.5 . .
H34A C34 H34C 109.5 . .
H34B C34 H34C 109.5 . .
C33 C35 H35A 109.5 . .
C33 C35 H35B 109.5 . .
H35A C35 H35B 109.5 . .
C33 C35 H35C 109.5 . .
H35A C35 H35C 109.5 . .
H35B C35 H35C 109.5 . .
C33 C36 H36A 109.5 . .
C33 C36 H36B 109.5 . .
H36A C36 H36B 109.5 . .
C33 C36 H36C 109.5 . .
H36A C36 H36C 109.5 . .
H36B C36 H36C 109.5 . .
C40 C37 C12 114.9(10) . .
C40 C37 C39 111.4(16) . .
C12 C37 C39 114.2(11) . .
C40 C37 C38 106.5(18) . .
C12 C37 C38 109.3(10) . .
C39 C37 C38 99.1(15) . .
C37 C38 H38A 109.5 . .
C37 C38 H38B 109.5 . .
H38A C38 H38B 109.5 . .
C37 C38 H38C 109.5 . .
H38A C38 H38C 109.5 . .
H38B C38 H38C 109.5 . .
C37 C39 H39A 109.5 . .
C37 C39 H39B 109.5 . .
H39A C39 H39B 109.5 . .
C37 C39 H39C 109.5 . .
H39A C39 H39C 109.5 . .
H39B C39 H39C 109.5 . .
C37 C40 H40A 109.5 . .
C37 C40 H40B 109.5 . .
H40A C40 H40B 109.5 . .
C37 C40 H40C 109.5 . .
H40A C40 H40C 109.5 . .
H40B C40 H40C 109.5 . .
C43 C41 C42 110.9(9) . .
C43 C41 C44 108.2(10) . .
C42 C41 C44 108.7(10) . .
C43 C41 C16 109.3(7) . .
C42 C41 C16 108.7(8) . .
C44 C41 C16 111.1(8) . .
C41 C42 H42A 109.5 . .
C41 C42 H42B 109.5 . .
H42A C42 H42B 109.5 . .
C41 C42 H42C 109.5 . .
H42A C42 H42C 109.5 . .
H42B C42 H42C 109.5 . .
C41 C43 H43A 109.5 . .
C41 C43 H43B 109.5 . .
H43A C43 H43B 109.5 . .
C41 C43 H43C 109.5 . .
H43A C43 H43C 109.5 . .
H43B C43 H43C 109.5 . .
C41 C44 H44A 109.5 . .
C41 C44 H44B 109.5 . .
H44A C44 H44B 109.5 . .
C41 C44 H44C 109.5 . .
H44A C44 H44C 109.5 . .
H44B C44 H44C 109.5 . .
C47 C45 C46 102.0(16) . .
C47 C45 C18 110.6(13) . .
C46 C45 C18 111.1(10) . .
C47 C45 C48 116.3(16) . .
C46 C45 C48 102.4(16) . .
C18 C45 C48 113.4(11) . .
C45 C46 H46A 109.5 . .
C45 C46 H46B 109.5 . .
H46A C46 H46B 109.5 . .
C45 C46 H46C 109.5 . .
H46A C46 H46C 109.5 . .
H46B C46 H46C 109.5 . .
C45 C47 H47A 109.5 . .
C45 C47 H47B 109.5 . .
H47A C47 H47B 109.5 . .
C45 C47 H47C 109.5 . .
H47A C47 H47C 109.5 . .
H47B C47 H47C 109.5 . .
C45 C48 H48A 109.5 . .
C45 C48 H48B 109.5 . .
H48A C48 H48B 109.5 . .
C45 C48 H48C 109.5 . .
H48A C48 H48C 109.5 . .
H48B C48 H48C 109.5 . .
C52 C49 C50 109.6(8) . .
C52 C49 C51 110.6(8) . .
C50 C49 C51 105.6(9) . .
C52 C49 C23 111.5(8) . .
C50 C49 C23 109.0(7) . .
C51 C49 C23 110.3(7) . .
C49 C50 H50A 109.5 . .
C49 C50 H50B 109.5 . .
H50A C50 H50B 109.5 . .
C49 C50 H50C 109.5 . .
H50A C50 H50C 109.5 . .
H50B C50 H50C 109.5 . .
C49 C51 H51A 109.5 . .
C49 C51 H51B 109.5 . .
H51A C51 H51B 109.5 . .
C49 C51 H51C 109.5 . .
H51A C51 H51C 109.5 . .
H51B C51 H51C 109.5 . .
C49 C52 H52A 109.5 . .
C49 C52 H52B 109.5 . .
H52A C52 H52B 109.5 . .
C49 C52 H52C 109.5 . .
H52A C52 H52C 109.5 . .
H52B C52 H52C 109.5 . .
C55 C53 C56 110.7(9) . .
C55 C53 C54 108.4(11) . .
C56 C53 C54 108.4(10) . .
C55 C53 C25 108.5(9) . .
C56 C53 C25 109.6(8) . .
C54 C53 C25 111.2(8) . .
C53 C54 H54A 109.5 . .
C53 C54 H54B 109.5 . .
H54A C54 H54B 109.5 . .
C53 C54 H54C 109.5 . .
H54A C54 H54C 109.5 . .
H54B C54 H54C 109.5 . .
C53 C55 K3 160.2(10) . 2
C53 C56 H56A 109.5 . .
C53 C56 H56B 109.5 . .
H56A C56 H56B 109.5 . .
C53 C56 H56C 109.5 . .
H56A C56 H56C 109.5 . .
H56B C56 H56C 109.5 . .
C58 C57 C29 110.5(9) . .
C58 C57 C59 113.8(12) . .
C29 C57 C59 107.5(9) . .
C58 C57 C60 106.1(10) . .
C29 C57 C60 111.8(10) . .
C59 C57 C60 107.2(10) . .
C57 C58 H58A 109.5 . .
C57 C58 H58B 109.5 . .
H58A C58 H58B 109.5 . .
C57 C58 H58C 109.5 . .
H58A C58 H58C 109.5 . .
H58B C58 H58C 109.5 . .
C57 C59 H59A 109.5 . .
C57 C59 H59B 109.5 . .
H59A C59 H59B 109.5 . .
C57 C59 H59C 109.5 . .
H59A C59 H59C 109.5 . .
H59B C59 H59C 109.5 . .
C57 C60 H60A 109.5 . .
C57 C60 H60B 109.5 . .
H60A C60 H60B 109.5 . .
C57 C60 H60C 109.5 . .
H60A C60 H60C 109.5 . .
H60B C60 H60C 109.5 . .
C64 C61 C62 107.1(13) . .
C64 C61 C63 111.3(15) . .
C62 C61 C63 103.7(14) . .
C64 C61 C31 113.1(9) . .
C62 C61 C31 109.5(10) . .
C63 C61 C31 111.6(12) . .
C61 C62 H62A 109.5 . .
C61 C62 H62B 109.5 . .
H62A C62 H62B 109.5 . .
C61 C62 H62C 109.5 . .
H62A C62 H62C 109.5 . .
H62B C62 H62C 109.5 . .
C61 C63 H63A 109.5 . .
C61 C63 H63B 109.5 . .
H63A C63 H63B 109.5 . .
C61 C63 H63C 109.5 . .
H63A C63 H63C 109.5 . .
H63B C63 H63C 109.5 . .
C61 C64 H64A 109.5 . .
C61 C64 H64B 109.5 . .
H64A C64 H64B 109.5 . .
C61 C64 H64C 109.5 . .
H64A C64 H64C 109.5 . .
H64B C64 H64C 109.5 . .
O8 C73 C74 111.3(16) . .
O8 C73 H73A 109.4 . .
C74 C73 H73A 109.4 . .
O8 C73 H73B 109.4 . .
C74 C73 H73B 109.4 . .
H73A C73 H73B 108.0 . .
C75 C74 C73 112(2) . .
C75 C74 H74A 109.3 . .
C73 C74 H74A 109.3 . .
C75 C74 H74B 109.3 . .
C73 C74 H74B 109.3 . .
H74A C74 H74B 107.9 . .
C74 C75 C76 104.6(18) . .
C74 C75 H75A 110.8 . .
C76 C75 H75A 110.8 . .
C74 C75 H75B 110.8 . .
C76 C75 H75B 110.8 . .
H75A C75 H75B 108.9 . .
O8 C76 C75 103.2(14) . .
O8 C76 H76A 111.1 . .
C75 C76 H76A 111.1 . .
O8 C76 H76B 111.1 . .
C75 C76 H76B 111.1 . .
H76A C76 H76B 109.1 . .
O9 C81 C82 101.3(13) . .
O9 C81 H81A 111.5 . .
C82 C81 H81A 111.5 . .
O9 C81 H81B 111.5 . .
C82 C81 H81B 111.5 . .
H81A C81 H81B 109.3 . .
C83 C82 C81 104.6(15) . .
C83 C82 H82A 110.8 . .
C81 C82 H82A 110.8 . .
C83 C82 H82B 110.8 . .
C81 C82 H82B 110.8 . .
H82A C82 H82B 108.9 . .
C82 C83 C84 106.8(18) . .
C82 C83 H83A 110.4 . .
C84 C83 H83A 110.4 . .
C82 C83 H83B 110.4 . .
C84 C83 H83B 110.4 . .
H83A C83 H83B 108.6 . .
O9 C84 C83 98.7(18) . .
O9 C84 K3 46.7(9) . .
C83 C84 K3 136.9(18) . .
O9 C84 H84A 112.0 . .
C83 C84 H84A 112.0 . .
K3 C84 H84A 71.8 . .
O9 C84 H84B 112.0 . .
C83 C84 H84B 112.0 . .
K3 C84 H84B 105.8 . .
H84A C84 H84B 109.7 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
O5 C65 1.4200 .
O5 C68 1.4200 .
O5 K1 2.687(8) .
C65 C66 1.4200 .
C65 H65A 0.9700 .
C65 H65B 0.9700 .
C66 C67 1.4200 .
C66 H66A 0.9700 .
C66 H66B 0.9700 .
C67 C68 1.4200 .
C67 H67A 0.9700 .
C67 H67B 0.9700 .
C68 H68A 0.9700 .
C68 H68B 0.9700 .
O7 C77 1.4200 .
O7 C80 1.4200 .
O7 K2 2.653(6) .
C77 C78 1.4200 .
C77 H77A 0.9700 .
C77 H77B 0.9700 .
C78 C79 1.4200 .
C78 H78A 0.9700 .
C78 H78B 0.9700 .
C79 C80 1.4200 .
C79 H79A 0.9700 .
C79 H79B 0.9700 .
C80 H80A 0.9700 .
C80 H80B 0.9700 .
O10 C88 1.4200 .
O10 C85 1.4200 .
O10 K3 2.829(9) .
C85 C86 1.4200 .
C85 H85A 0.9700 .
C85 H85B 0.9700 .
C86 C87 1.4200 .
C86 H86A 0.9700 .
C86 H86B 0.9700 .
C87 C88 1.4200 .
C87 H87A 0.9700 .
C87 H87B 0.9700 .
C88 H88A 0.9700 .
C88 H88B 0.9700 .
O6 C72 1.4200 .
O6 C69 1.4200 .
O6 K1 2.711(7) .
C69 C70 1.4200 .
C69 H69A 0.9700 .
C69 H69B 0.9700 .
C70 C71 1.4200 .
C70 H70A 0.9700 .
C70 H70B 0.9700 .
C71 C72 1.4200 .
C71 H71A 0.9700 .
C71 H71B 0.9700 .
C72 H72A 0.9700 .
C72 H72B 0.9700 .
K1 O1 2.633(5) .
K1 O4 2.685(6) .
K1 O2 3.175(6) .
K1 C28 3.258(9) .
K1 C6 3.300(7) .
K1 K3 4.634(3) .
K1 H2A 2.8733 .
K2 O8 2.669(9) .
K2 O3 2.681(6) .
K2 C27 3.023(8) .
K2 C22 3.036(7) .
K2 C28 3.244(9) .
K2 C31 3.303(9) .
K2 C29 3.410(10) .
K2 C21 3.515(7) .
K2 K3 4.261(3) .
K3 O3 2.567(5) .
K3 O4 2.629(6) .
K3 O9 2.759(10) .
K3 C84 3.47(2) .
K3 C55 3.508(12) 2_554
K3 C28 3.531(9) .
O1 C9 1.333(8) .
O2 C15 1.351(9) .
O2 H2A 0.8501 .
O3 C22 1.322(8) .
O4 C28 1.324(9) .
O8 C73 1.378(15) .
O8 C76 1.425(16) .
O9 C84 1.26(2) .
O9 C81 1.441(17) .
C1 C2 1.387(9) .
C1 C6 1.403(9) .
C1 H1 0.9300 .
C2 C3 1.383(10) .
C2 C7 1.521(10) .
C3 C4 1.405(12) .
C3 H3 0.9300 .
C4 C5 1.357(11) .
C4 H4 0.9300 .
C5 C6 1.379(10) .
C5 H5 0.9300 .
C6 C20 1.511(10) .
C7 C8 1.528(10) .
C7 C14 1.541(10) .
C7 H7 0.9800 .
C8 C9 1.396(10) .
C8 C13 1.400(10) .
C9 C10 1.401(10) .
C10 C11 1.391(10) .
C10 C33 1.545(12) .
C11 C12 1.383(11) .
C11 H11 0.9300 .
C12 C13 1.366(11) .
C12 C37 1.492(12) .
C13 H13 0.9300 .
C14 C19 1.387(10) .
C14 C15 1.419(10) .
C15 C16 1.371(11) .
C16 C17 1.342(12) .
C16 C41 1.571(13) .
C17 C18 1.421(12) .
C17 H17 0.9300 .
C18 C19 1.349(11) .
C18 C45 1.515(13) .
C19 H19 0.9300 .
C20 C21 1.526(10) .
C20 C27 1.552(10) .
C20 H20 0.9800 .
C21 C26 1.397(10) .
C21 C22 1.420(10) .
C22 C23 1.425(10) .
C23 C24 1.355(11) .
C23 C49 1.558(11) .
C24 C25 1.369(11) .
C24 H24 0.9300 .
C25 C26 1.399(11) .
C25 C53 1.555(12) .
C26 H26 0.9300 .
C27 C28 1.389(11) .
C27 C32 1.392(11) .
C28 C29 1.445(11) .
C29 C30 1.401(13) .
C29 C57 1.546(13) .
C30 C31 1.374(13) .
C30 H30 0.9300 .
C31 C32 1.391(11) .
C31 C61 1.516(13) .
C32 H32 0.9300 .
C33 C34 1.484(14) .
C33 C35 1.569(14) .
C33 C36 1.604(14) .
C34 H34A 0.9600 .
C34 H34B 0.9600 .
C34 H34C 0.9600 .
C35 H35A 0.9600 .
C35 H35B 0.9600 .
C35 H35C 0.9600 .
C36 H36A 0.9600 .
C36 H36B 0.9600 .
C36 H36C 0.9600 .
C37 C40 1.377(18) .
C37 C39 1.502(19) .
C37 C38 1.58(2) .
C38 H38A 0.9600 .
C38 H38B 0.9600 .
C38 H38C 0.9600 .
C39 H39A 0.9600 .
C39 H39B 0.9600 .
C39 H39C 0.9600 .
C40 H40A 0.9600 .
C40 H40B 0.9600 .
C40 H40C 0.9600 .
C41 C43 1.513(14) .
C41 C42 1.549(15) .
C41 C44 1.560(14) .
C42 H42A 0.9600 .
C42 H42B 0.9600 .
C42 H42C 0.9600 .
C43 H43A 0.9600 .
C43 H43B 0.9600 .
C43 H43C 0.9600 .
C44 H44A 0.9600 .
C44 H44B 0.9600 .
C44 H44C 0.9600 .
C45 C47 1.50(2) .
C45 C46 1.50(2) .
C45 C48 1.531(19) .
C46 H46A 0.9600 .
C46 H46B 0.9600 .
C46 H46C 0.9600 .
C47 H47A 0.9600 .
C47 H47B 0.9600 .
C47 H47C 0.9600 .
C48 H48A 0.9600 .
C48 H48B 0.9600 .
C48 H48C 0.9600 .
C49 C52 1.491(13) .
C49 C50 1.522(14) .
C49 C51 1.545(13) .
C50 H50A 0.9600 .
C50 H50B 0.9600 .
C50 H50C 0.9600 .
C51 H51A 0.9600 .
C51 H51B 0.9600 .
C51 H51C 0.9600 .
C52 H52A 0.9600 .
C52 H52B 0.9600 .
C52 H52C 0.9600 .
C53 C55 1.507(16) .
C53 C56 1.514(14) .
C53 C54 1.520(15) .
C54 H54A 0.9600 .
C54 H54B 0.9600 .
C54 H54C 0.9600 .
C55 K3 3.508(12) 2
C56 H56A 0.9600 .
C56 H56B 0.9600 .
C56 H56C 0.9600 .
C57 C58 1.518(16) .
C57 C59 1.561(17) .
C57 C60 1.594(15) .
C58 H58A 0.9600 .
C58 H58B 0.9600 .
C58 H58C 0.9600 .
C59 H59A 0.9600 .
C59 H59B 0.9600 .
C59 H59C 0.9600 .
C60 H60A 0.9600 .
C60 H60B 0.9600 .
C60 H60C 0.9600 .
C61 C64 1.435(17) .
C61 C62 1.505(16) .
C61 C63 1.514(19) .
C62 H62A 0.9600 .
C62 H62B 0.9600 .
C62 H62C 0.9600 .
C63 H63A 0.9600 .
C63 H63B 0.9600 .
C63 H63C 0.9600 .
C64 H64A 0.9600 .
C64 H64B 0.9600 .
C64 H64C 0.9600 .
C73 C74 1.37(2) .
C73 H73A 0.9700 .
C73 H73B 0.9700 .
C74 C75 1.32(3) .
C74 H74A 0.9700 .
C74 H74B 0.9700 .
C75 C76 1.59(3) .
C75 H75A 0.9700 .
C75 H75B 0.9700 .
C76 H76A 0.9700 .
C76 H76B 0.9700 .
C81 C82 1.45(2) .
C81 H81A 0.9700 .
C81 H81B 0.9700 .
C82 C83 1.33(2) .
C82 H82A 0.9700 .
C82 H82B 0.9700 .
C83 C84 1.47(2) .
C83 H83A 0.9700 .
C83 H83B 0.9700 .
C84 H84A 0.9700 .
C84 H84B 0.9700 .
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
C68 O5 C65 C66 0.0 . .
K1 O5 C65 C66 -173.5(10) . .
O5 C65 C66 C67 0.0 . .
C65 C66 C67 C68 0.0 . .
C66 C67 C68 O5 0.0 . .
C65 O5 C68 C67 0.0 . .
K1 O5 C68 C67 173.2(11) . .
C80 O7 C77 C78 0.0 . .
K2 O7 C77 C78 -175.7(9) . .
O7 C77 C78 C79 0.0 . .
C77 C78 C79 C80 0.0 . .
C77 O7 C80 C79 0.0 . .
K2 O7 C80 C79 175.7(9) . .
C78 C79 C80 O7 0.0 . .
C88 O10 C85 C86 0.0 . .
K3 O10 C85 C86 -178.1(9) . .
O10 C85 C86 C87 0.0 . .
C85 C86 C87 C88 0.0 . .
C86 C87 C88 O10 0.0 . .
C85 O10 C88 C87 0.0 . .
K3 O10 C88 C87 177.4(12) . .
C72 O6 C69 C70 0.0 . .
K1 O6 C69 C70 141.9(6) . .
O6 C69 C70 C71 0.0 . .
C69 C70 C71 C72 0.0 . .
C70 C71 C72 O6 0.0 . .
C69 O6 C72 C71 0.0 . .
K1 O6 C72 C71 -137.8(6) . .
C65 O5 K1 O1 -67.3(11) . .
C68 O5 K1 O1 120.5(12) . .
C65 O5 K1 O4 44.6(11) . .
C68 O5 K1 O4 -127.5(12) . .
C65 O5 K1 O6 151.8(11) . .
C68 O5 K1 O6 -20.4(12) . .
C65 O5 K1 O2 -114.9(11) . .
C68 O5 K1 O2 72.9(12) . .
C65 O5 K1 C28 66.9(12) . .
C68 O5 K1 C28 -105.3(12) . .
C65 O5 K1 C6 2(11) . .
C68 O5 K1 C6 -171(95) . .
C65 O5 K1 K3 14.5(11) . .
C68 O5 K1 K3 -157.7(12) . .
C72 O6 K1 O1 134.9(6) . .
C69 O6 K1 O1 -0.5(6) . .
C72 O6 K1 O4 -24.8(6) . .
C69 O6 K1 O4 -160.1(5) . .
C72 O6 K1 O5 -131.2(6) . .
C69 O6 K1 O5 93.5(5) . .
C72 O6 K1 O2 141.7(6) . .
C69 O6 K1 O2 6.3(5) . .
C72 O6 K1 C28 -15.0(6) . .
C69 O6 K1 C28 -150.3(5) . .
C72 O6 K1 C6 48.0(6) . .
C69 O6 K1 C6 -87.3(5) . .
C72 O6 K1 K3 -17.4(7) . .
C69 O6 K1 K3 -152.7(5) . .
C77 O7 K2 O8 -78.8(8) . .
C80 O7 K2 O8 106.3(9) . .
C77 O7 K2 O3 154.9(7) . .
C80 O7 K2 O3 -20.1(10) . .
C77 O7 K2 C27 52.2(9) . .
C80 O7 K2 C27 -122.8(9) . .
C77 O7 K2 C22 -178.6(8) . .
C80 O7 K2 C22 6.5(12) . .
C77 O7 K2 C28 66.8(9) . .
C80 O7 K2 C28 -108.2(9) . .
C77 O7 K2 C31 12.4(8) . .
C80 O7 K2 C31 -162.6(9) . .
C77 O7 K2 C29 53.6(8) . .
C80 O7 K2 C29 -121.4(9) . .
C77 O7 K2 C21 129(2) . .
C80 O7 K2 C21 -46(3) . .
C77 O7 K2 K3 124.7(8) . .
C80 O7 K2 K3 -50.3(9) . .
C88 O10 K3 O3 -124.9(12) . .
C85 O10 K3 O3 52.4(8) . .
C88 O10 K3 O4 124.6(12) . .
C85 O10 K3 O4 -58.1(11) . .
C88 O10 K3 O9 20.0(12) . .
C85 O10 K3 O9 -162.7(9) . .
C88 O10 K3 C84 29.1(13) . .
C85 O10 K3 C84 -153.6(9) . .
C88 O10 K3 C55 -50.8(12) . 2_554
C85 O10 K3 C55 126.4(9) . 2_554
C88 O10 K3 C28 164.1(12) . .
C85 O10 K3 C28 -18.6(13) . .
C88 O10 K3 K2 -103.8(12) . .
C85 O10 K3 K2 73.5(9) . .
C88 O10 K3 K1 124.6(12) . .
C85 O10 K3 K1 -58.1(9) . .
O7 K2 K3 O3 139.4(3) . .
O8 K2 K3 O3 16.2(4) . .
C27 K2 K3 O3 -90.1(2) . .
C22 K2 K3 O3 -14.3(2) . .
C28 K2 K3 O3 -117.0(3) . .
C31 K2 K3 O3 -109.6(3) . .
C29 K2 K3 O3 -136.6(2) . .
C21 K2 K3 O3 -40.0(2) . .
O7 K2 K3 O4 -99.8(3) . .
O8 K2 K3 O4 136.9(4) . .
O3 K2 K3 O4 120.8(2) . .
C27 K2 K3 O4 30.66(19) . .
C22 K2 K3 O4 106.5(2) . .
C28 K2 K3 O4 3.8(2) . .
C31 K2 K3 O4 11.2(2) . .
C29 K2 K3 O4 -15.79(18) . .
C21 K2 K3 O4 80.74(19) . .
O7 K2 K3 O9 -3.5(4) . .
O8 K2 K3 O9 -126.8(5) . .
O3 K2 K3 O9 -143.0(4) . .
C27 K2 K3 O9 126.9(3) . .
C22 K2 K3 O9 -157.3(3) . .
C28 K2 K3 O9 100.1(3) . .
C31 K2 K3 O9 107.4(3) . .
C29 K2 K3 O9 80.5(3) . .
C21 K2 K3 O9 177.0(3) . .
O7 K2 K3 O10 103.6(4) . .
O8 K2 K3 O10 -19.7(6) . .
O3 K2 K3 O10 -35.8(4) . .
C27 K2 K3 O10 -125.9(4) . .
C22 K2 K3 O10 -50.1(4) . .
C28 K2 K3 O10 -152.8(4) . .
C31 K2 K3 O10 -145.4(4) . .
C29 K2 K3 O10 -172.4(4) . .
C21 K2 K3 O10 -75.9(4) . .
O7 K2 K3 C84 -23.6(5) . .
O8 K2 K3 C84 -146.8(6) . .
O3 K2 K3 C84 -163.0(5) . .
C27 K2 K3 C84 106.9(5) . .
C22 K2 K3 C84 -177.3(5) . .
C28 K2 K3 C84 80.0(5) . .
C31 K2 K3 C84 87.4(5) . .
C29 K2 K3 C84 60.4(5) . .
C21 K2 K3 C84 157.0(4) . .
O7 K2 K3 C55 48.6(3) . 2_554
O8 K2 K3 C55 -74.7(5) . 2_554
O3 K2 K3 C55 -90.9(3) . 2_554
C27 K2 K3 C55 179.0(3) . 2_554
C22 K2 K3 C55 -105.2(3) . 2_554
C28 K2 K3 C55 152.1(3) . 2_554
C31 K2 K3 C55 159.5(3) . 2_554
C29 K2 K3 C55 132.6(3) . 2_554
C21 K2 K3 C55 -130.9(3) . 2_554
O7 K2 K3 C28 -103.6(3) . .
O8 K2 K3 C28 133.1(4) . .
O3 K2 K3 C28 117.0(3) . .
C27 K2 K3 C28 26.9(2) . .
C22 K2 K3 C28 102.7(2) . .
C31 K2 K3 C28 7.4(2) . .
C29 K2 K3 C28 -19.6(2) . .
C21 K2 K3 C28 76.9(2) . .
O7 K2 K3 K1 -116.1(2) . .
O8 K2 K3 K1 120.6(4) . .
O3 K2 K3 K1 104.43(19) . .
C27 K2 K3 K1 14.34(16) . .
C22 K2 K3 K1 90.16(17) . .
C28 K2 K3 K1 -12.53(17) . .
C31 K2 K3 K1 -5.14(18) . .
C29 K2 K3 K1 -32.12(15) . .
C21 K2 K3 K1 64.41(14) . .
O1 K1 K3 O3 -110.40(18) . .
O4 K1 K3 O3 67.2(3) . .
O5 K1 K3 O3 159.7(3) . .
O6 K1 K3 O3 52.3(3) . .
O2 K1 K3 O3 -100.6(2) . .
C28 K1 K3 O3 49.2(2) . .
C6 K1 K3 O3 -20.70(19) . .
O1 K1 K3 O4 -177.6(3) . .
O5 K1 K3 O4 92.5(4) . .
O6 K1 K3 O4 -14.9(3) . .
O2 K1 K3 O4 -167.7(3) . .
C28 K1 K3 O4 -18.0(3) . .
C6 K1 K3 O4 -87.9(3) . .
O1 K1 K3 O9 89.8(4) . .
O4 K1 K3 O9 -92.6(4) . .
O5 K1 K3 O9 -0.1(4) . .
O6 K1 K3 O9 -107.5(4) . .
O2 K1 K3 O9 99.6(4) . .
C28 K1 K3 O9 -110.7(4) . .
C6 K1 K3 O9 179.5(4) . .
O1 K1 K3 O10 2.5(3) . .
O4 K1 K3 O10 -180.0(4) . .
O5 K1 K3 O10 -87.5(4) . .
O6 K1 K3 O10 165.1(4) . .
O2 K1 K3 O10 12.3(3) . .
C28 K1 K3 O10 162.0(4) . .
C6 K1 K3 O10 92.2(3) . .
O1 K1 K3 C84 100.0(5) . .
O4 K1 K3 C84 -82.4(5) . .
O5 K1 K3 C84 10.1(5) . .
O6 K1 K3 C84 -97.3(5) . .
O2 K1 K3 C84 109.8(5) . .
C28 K1 K3 C84 -100.4(5) . .
C6 K1 K3 C84 -170.3(5) . .
O1 K1 K3 C55 170.3(6) . 2_554
O4 K1 K3 C55 -12.2(6) . 2_554
O5 K1 K3 C55 80.4(6) . 2_554
O6 K1 K3 C55 -27.0(6) . 2_554
O2 K1 K3 C55 -179.9(6) . 2_554
C28 K1 K3 C55 -30.2(6) . 2_554
C6 K1 K3 C55 -100.0(6) . 2_554
O1 K1 K3 C28 -159.6(2) . .
O4 K1 K3 C28 18.0(3) . .
O5 K1 K3 C28 110.5(3) . .
O6 K1 K3 C28 3.1(3) . .
O2 K1 K3 C28 -149.7(2) . .
C6 K1 K3 C28 -69.9(2) . .
O1 K1 K3 K2 -146.25(13) . .
O4 K1 K3 K2 31.3(2) . .
O5 K1 K3 K2 123.8(3) . .
O6 K1 K3 K2 16.4(3) . .
O2 K1 K3 K2 -136.42(15) . .
C28 K1 K3 K2 13.31(19) . .
C6 K1 K3 K2 -56.55(14) . .
O4 K1 O1 C9 46.3(10) . .
O5 K1 O1 C9 153.9(10) . .
O6 K1 O1 C9 -112.9(10) . .
O2 K1 O1 C9 -122.1(10) . .
C28 K1 O1 C9 28.0(11) . .
C6 K1 O1 C9 -24.6(10) . .
K3 K1 O1 C9 47.5(10) . .
O1 K1 O2 C15 81.5(10) . .
O4 K1 O2 C15 53.6(12) . .
O5 K1 O2 C15 177.2(11) . .
O6 K1 O2 C15 -92.7(10) . .
C28 K1 O2 C15 -6.9(13) . .
C6 K1 O2 C15 -1.3(10) . .
K3 K1 O2 C15 68.3(11) . .
O4 K3 O3 C22 71.3(8) . .
O9 K3 O3 C22 -171.3(9) . .
O10 K3 O3 C22 -81.6(9) . .
C84 K3 O3 C22 153.2(9) . .
C55 K3 O3 C22 -157.6(9) 2_554 .
C28 K3 O3 C22 78.5(8) . .
K2 K3 O3 C22 123.2(9) . .
K1 K3 O3 C22 44.2(8) . .
O4 K3 O3 K2 -51.87(19) . .
O9 K3 O3 K2 65.5(6) . .
O10 K3 O3 K2 155.2(3) . .
C84 K3 O3 K2 30.0(7) . .
C55 K3 O3 K2 79.2(3) 2_554 .
C28 K3 O3 K2 -44.75(19) . .
K1 K3 O3 K2 -79.02(17) . .
O7 K2 O3 C22 152.4(5) . .
O8 K2 O3 C22 37.5(5) . .
C27 K2 O3 C22 -76.3(4) . .
C28 K2 O3 C22 -102.5(4) . .
C31 K2 O3 C22 -68.0(5) . .
C29 K2 O3 C22 -109.7(4) . .
C21 K2 O3 C22 -31.5(4) . .
K3 K2 O3 C22 -151.1(5) . .
O7 K2 O3 K3 -56.5(4) . .
O8 K2 O3 K3 -171.4(2) . .
C27 K2 O3 K3 74.8(2) . .
C22 K2 O3 K3 151.1(5) . .
C28 K2 O3 K3 48.6(2) . .
C31 K2 O3 K3 83.1(3) . .
C29 K2 O3 K3 41.4(2) . .
C21 K2 O3 K3 119.6(3) . .
O3 K3 O4 C28 21.8(5) . .
O9 K3 O4 C28 -126.5(6) . .
O10 K3 O4 C28 136.4(7) . .
C84 K3 O4 C28 -126.2(7) . .
C55 K3 O4 C28 -49.4(6) 2_554 .
K2 K3 O4 C28 -9.0(5) . .
K1 K3 O4 C28 136.3(6) . .
O3 K3 O4 K1 -114.5(2) . .
O9 K3 O4 K1 97.1(4) . .
O10 K3 O4 K1 0.0(7) . .
C84 K3 O4 K1 97.5(5) . .
C55 K3 O4 K1 174.3(3) 2_554 .
C28 K3 O4 K1 -136.3(6) . .
K2 K3 O4 K1 -145.4(2) . .
O1 K1 O4 C28 -140.9(4) . .
O5 K1 O4 C28 120.5(5) . .
O6 K1 O4 C28 25.5(5) . .
O2 K1 O4 C28 -119.2(5) . .
C6 K1 O4 C28 -60.7(4) . .
K3 K1 O4 C28 -143.5(5) . .
O1 K1 O4 K3 2.6(3) . .
O5 K1 O4 K3 -96.0(4) . .
O6 K1 O4 K3 169.0(2) . .
O2 K1 O4 K3 24.3(6) . .
C28 K1 O4 K3 143.5(5) . .
C6 K1 O4 K3 82.8(2) . .
O7 K2 O8 C73 -174.6(11) . .
O3 K2 O8 C73 -36.6(11) . .
C27 K2 O8 C73 44.3(11) . .
C22 K2 O8 C73 -21.2(11) . .
C28 K2 O8 C73 62.5(12) . .
C31 K2 O8 C73 81.6(11) . .
C29 K2 O8 C73 96.9(11) . .
C21 K2 O8 C73 2.6(11) . .
K3 K2 O8 C73 -47.0(12) . .
O7 K2 O8 C76 -5.3(14) . .
O3 K2 O8 C76 132.6(13) . .
C27 K2 O8 C76 -146.4(13) . .
C22 K2 O8 C76 148.1(14) . .
C28 K2 O8 C76 -128.3(13) . .
C31 K2 O8 C76 -109.1(14) . .
C29 K2 O8 C76 -93.8(14) . .
C21 K2 O8 C76 171.9(14) . .
K3 K2 O8 C76 122.3(13) . .
O3 K3 O9 C84 -110.6(18) . .
O4 K3 O9 C84 1.2(19) . .
O10 K3 O9 C84 151.7(19) . .
C55 K3 O9 C84 -125(2) 2_554 .
C28 K3 O9 C84 -15(2) . .
K2 K3 O9 C84 -71.0(19) . .
K1 K3 O9 C84 32.3(19) . .
O3 K3 O9 C81 89.5(18) . .
O4 K3 O9 C81 -158.8(16) . .
O10 K3 O9 C81 -8.3(16) . .
C84 K3 O9 C81 -160(3) . .
C55 K3 O9 C81 75.2(17) 2_554 .
C28 K3 O9 C81 -175.3(16) . .
K2 K3 O9 C81 129.0(16) . .
K1 K3 O9 C81 -127.7(16) . .
C6 C1 C2 C3 -3.9(10) . .
C6 C1 C2 C7 -175.1(6) . .
C1 C2 C3 C4 0.9(12) . .
C7 C2 C3 C4 172.5(8) . .
C2 C3 C4 C5 1.9(14) . .
C3 C4 C5 C6 -1.8(14) . .
C4 C5 C6 C1 -1.0(12) . .
C4 C5 C6 C20 177.9(8) . .
C4 C5 C6 K1 76.5(9) . .
C2 C1 C6 C5 3.9(10) . .
C2 C1 C6 C20 -175.0(6) . .
C2 C1 C6 K1 -90.2(6) . .
O1 K1 C6 C5 -123.5(5) . .
O4 K1 C6 C5 124.2(5) . .
O5 K1 C6 C5 168(10) . .
O6 K1 C6 C5 17.4(5) . .
O2 K1 C6 C5 -76.1(5) . .
C28 K1 C6 C5 101.5(5) . .
K3 K1 C6 C5 154.5(5) . .
O1 K1 C6 C1 -8.3(4) . .
O4 K1 C6 C1 -120.6(4) . .
O5 K1 C6 C1 -77(11) . .
O6 K1 C6 C1 132.5(4) . .
O2 K1 C6 C1 39.1(4) . .
C28 K1 C6 C1 -143.3(5) . .
K3 K1 C6 C1 -90.3(4) . .
O1 K1 C6 C20 110.9(4) . .
O4 K1 C6 C20 -1.4(4) . .
O5 K1 C6 C20 42(11) . .
O6 K1 C6 C20 -108.2(4) . .
O2 K1 C6 C20 158.3(4) . .
C28 K1 C6 C20 -24.1(4) . .
K3 K1 C6 C20 28.9(4) . .
C3 C2 C7 C8 168.7(7) . .
C1 C2 C7 C8 -20.1(10) . .
C3 C2 C7 C14 36.0(9) . .
C1 C2 C7 C14 -152.8(7) . .
C2 C7 C8 C9 -52.5(10) . .
C14 C7 C8 C9 80.2(9) . .
C2 C7 C8 C13 131.5(7) . .
C14 C7 C8 C13 -95.9(7) . .
K1 O1 C9 C8 70.8(12) . .
K1 O1 C9 C10 -109.6(10) . .
C13 C8 C9 O1 178.7(6) . .
C7 C8 C9 O1 2.6(10) . .
C13 C8 C9 C10 -0.9(10) . .
C7 C8 C9 C10 -177.0(7) . .
O1 C9 C10 C11 -176.8(7) . .
C8 C9 C10 C11 2.8(11) . .
O1 C9 C10 C33 -3.6(12) . .
C8 C9 C10 C33 176.0(7) . .
C9 C10 C11 C12 -4.9(12) . .
C33 C10 C11 C12 -178.0(8) . .
C10 C11 C12 C13 5.0(12) . .
C10 C11 C12 C37 -178.7(9) . .
C11 C12 C13 C8 -3.1(12) . .
C37 C12 C13 C8 -179.4(9) . .
C9 C8 C13 C12 1.2(11) . .
C7 C8 C13 C12 177.5(7) . .
C2 C7 C14 C19 -122.6(7) . .
C8 C7 C14 C19 102.1(8) . .
C2 C7 C14 C15 59.4(9) . .
C8 C7 C14 C15 -75.9(9) . .
K1 O2 C15 C16 150.2(8) . .
K1 O2 C15 C14 -27.0(14) . .
C19 C14 C15 O2 178.3(7) . .
C7 C14 C15 O2 -3.7(11) . .
C19 C14 C15 C16 1.0(11) . .
C7 C14 C15 C16 179.1(7) . .
O2 C15 C16 C17 -178.8(8) . .
C14 C15 C16 C17 -1.6(13) . .
O2 C15 C16 C41 7.9(12) . .
C14 C15 C16 C41 -174.9(8) . .
C15 C16 C17 C18 1.7(15) . .
C41 C16 C17 C18 175.0(9) . .
C16 C17 C18 C19 -1.2(15) . .
C16 C17 C18 C45 176.4(12) . .
C17 C18 C19 C14 0.6(14) . .
C45 C18 C19 C14 -176.9(11) . .
C15 C14 C19 C18 -0.6(13) . .
C7 C14 C19 C18 -178.8(8) . .
C5 C6 C20 C21 85.4(9) . .
C1 C6 C20 C21 -95.7(8) . .
K1 C6 C20 C21 -169.3(5) . .
C5 C6 C20 C27 -43.0(10) . .
C1 C6 C20 C27 135.9(7) . .
K1 C6 C20 C27 62.4(6) . .
C6 C20 C21 C26 -30.3(10) . .
C27 C20 C21 C26 98.4(8) . .
C6 C20 C21 C22 149.9(6) . .
C27 C20 C21 C22 -81.3(8) . .
C6 C20 C21 K2 -158.4(6) . .
C27 C20 C21 K2 -29.7(5) . .
O7 K2 C21 C26 171(2) . .
O8 K2 C21 C26 18.9(7) . .
O3 K2 C21 C26 142.3(7) . .
C27 K2 C21 C26 -106.5(7) . .
C22 K2 C21 C26 107.8(8) . .
C28 K2 C21 C26 -124.6(7) . .
C31 K2 C21 C26 -71.3(6) . .
C29 K2 C21 C26 -113.6(6) . .
K3 K2 C21 C26 175.5(7) . .
O7 K2 C21 C22 63(3) . .
O8 K2 C21 C22 -88.8(5) . .
O3 K2 C21 C22 34.6(4) . .
C27 K2 C21 C22 145.8(5) . .
C28 K2 C21 C22 127.7(5) . .
C31 K2 C21 C22 -179.1(5) . .
C29 K2 C21 C22 138.7(5) . .
K3 K2 C21 C22 67.7(4) . .
O7 K2 C21 C20 -63(3) . .
O8 K2 C21 C20 144.9(4) . .
O3 K2 C21 C20 -91.7(4) . .
C27 K2 C21 C20 19.5(4) . .
C22 K2 C21 C20 -126.3(6) . .
C28 K2 C21 C20 1.4(4) . .
C31 K2 C21 C20 54.6(4) . .
C29 K2 C21 C20 12.4(4) . .
K3 K2 C21 C20 -58.6(4) . .
K3 O3 C22 C21 -44.7(11) . .
K2 O3 C22 C21 82.7(6) . .
K3 O3 C22 C23 133.6(7) . .
K2 O3 C22 C23 -99.0(7) . .
K3 O3 C22 K2 -127.4(8) . .
C26 C21 C22 O3 -175.7(7) . .
C20 C21 C22 O3 4.1(10) . .
K2 C21 C22 O3 -62.0(5) . .
C26 C21 C22 C23 5.9(10) . .
C20 C21 C22 C23 -174.4(7) . .
K2 C21 C22 C23 119.6(7) . .
C26 C21 C22 K2 -113.8(6) . .
C20 C21 C22 K2 66.0(6) . .
O7 K2 C22 O3 -49.3(8) . .
O8 K2 C22 O3 -147.1(4) . .
C27 K2 C22 O3 92.9(4) . .
C28 K2 C22 O3 72.0(4) . .
C31 K2 C22 O3 119.8(4) . .
C29 K2 C22 O3 75.6(4) . .
C21 K2 C22 O3 118.9(6) . .
K3 K2 C22 O3 18.9(3) . .
O7 K2 C22 C21 -168.1(6) . .
O8 K2 C22 C21 94.0(5) . .
O3 K2 C22 C21 -118.9(6) . .
C27 K2 C22 C21 -25.9(4) . .
C28 K2 C22 C21 -46.9(4) . .
C31 K2 C22 C21 0.9(5) . .
C29 K2 C22 C21 -43.3(5) . .
K3 K2 C22 C21 -100.0(4) . .
O7 K2 C22 C23 68.1(8) . .
O8 K2 C22 C23 -29.8(6) . .
O3 K2 C22 C23 117.3(7) . .
C27 K2 C22 C23 -149.7(6) . .
C28 K2 C22 C23 -170.7(6) . .
C31 K2 C22 C23 -122.8(5) . .
C29 K2 C22 C23 -167.1(5) . .
C21 K2 C22 C23 -123.8(7) . .
K3 K2 C22 C23 136.2(6) . .
O3 C22 C23 C24 175.8(8) . .
C21 C22 C23 C24 -5.8(11) . .
K2 C22 C23 C24 105.8(7) . .
O3 C22 C23 C49 -4.6(12) . .
C21 C22 C23 C49 173.8(7) . .
K2 C22 C23 C49 -74.6(8) . .
C22 C23 C24 C25 1.9(14) . .
C49 C23 C24 C25 -177.7(9) . .
C23 C24 C25 C26 2.2(13) . .
C23 C24 C25 C53 179.9(9) . .
C24 C25 C26 C21 -2.1(12) . .
C53 C25 C26 C21 -179.9(8) . .
C22 C21 C26 C25 -1.9(11) . .
C20 C21 C26 C25 178.4(7) . .
K2 C21 C26 C25 -72.8(9) . .
C6 C20 C27 C28 -99.7(8) . .
C21 C20 C27 C28 130.7(7) . .
C6 C20 C27 C32 81.2(9) . .
C21 C20 C27 C32 -48.4(9) . .
C6 C20 C27 K2 166.1(5) . .
C21 C20 C27 K2 36.6(6) . .
O7 K2 C27 C28 33.3(7) . .
O8 K2 C27 C28 152.8(5) . .
O3 K2 C27 C28 -96.5(5) . .
C22 K2 C27 C28 -124.1(5) . .
C31 K2 C27 C28 94.2(6) . .
C29 K2 C27 C28 31.2(5) . .
C21 K2 C27 C28 -138.5(6) . .
K3 K2 C27 C28 -58.9(5) . .
O7 K2 C27 C32 -89.9(6) . .
O8 K2 C27 C32 29.7(5) . .
O3 K2 C27 C32 140.4(5) . .
C22 K2 C27 C32 112.7(5) . .
C28 K2 C27 C32 -123.2(7) . .
C31 K2 C27 C32 -28.9(4) . .
C29 K2 C27 C32 -91.9(5) . .
C21 K2 C27 C32 98.4(5) . .
K3 K2 C27 C32 177.9(5) . .
O7 K2 C27 C20 151.9(5) . .
O8 K2 C27 C20 -88.6(5) . .
O3 K2 C27 C20 22.1(4) . .
C22 K2 C27 C20 -5.5(4) . .
C28 K2 C27 C20 118.6(7) . .
C31 K2 C27 C20 -147.1(6) . .
C29 K2 C27 C20 149.8(6) . .
C21 K2 C27 C20 -19.8(4) . .
K3 K2 C27 C20 59.7(4) . .
K3 O4 C28 C27 -67.0(9) . .
K1 O4 C28 C27 75.7(7) . .
K3 O4 C28 C29 111.7(7) . .
K1 O4 C28 C29 -105.6(7) . .
K3 O4 C28 K2 12.1(7) . .
K1 O4 C28 K2 154.8(3) . .
K3 O4 C28 K1 -142.7(5) . .
K1 O4 C28 K3 142.7(5) . .
C32 C27 C28 O4 -178.4(7) . .
C20 C27 C28 O4 2.5(11) . .
K2 C27 C28 O4 107.8(7) . .
C32 C27 C28 C29 2.8(12) . .
C20 C27 C28 C29 -176.2(7) . .
K2 C27 C28 C29 -70.9(7) . .
C32 C27 C28 K2 73.7(7) . .
C20 C27 C28 K2 -105.4(6) . .
C32 C27 C28 K1 -126.8(7) . .
C20 C27 C28 K1 54.1(7) . .
K2 C27 C28 K1 159.5(2) . .
C32 C27 C28 K3 145.8(7) . .
C20 C27 C28 K3 -33.3(7) . .
K2 C27 C28 K3 72.1(3) . .
O7 K2 C28 O4 90.4(6) . .
O8 K2 C28 O4 -154.1(5) . .
O3 K2 C28 O4 -39.6(5) . .
C27 K2 C28 O4 -114.8(8) . .
C22 K2 C28 O4 -65.1(5) . .
C31 K2 C28 O4 -178.7(6) . .
C29 K2 C28 O4 123.1(8) . .
C21 K2 C28 O4 -83.8(5) . .
K3 K2 C28 O4 -7.7(4) . .
O7 K2 C28 C27 -154.8(5) . .
O8 K2 C28 C27 -39.3(7) . .
O3 K2 C28 C27 75.2(5) . .
C22 K2 C28 C27 49.7(5) . .
C31 K2 C28 C27 -63.8(5) . .
C29 K2 C28 C27 -122.0(8) . .
C21 K2 C28 C27 31.0(5) . .
K3 K2 C28 C27 107.2(5) . .
O7 K2 C28 C29 -32.8(6) . .
O8 K2 C28 C29 82.8(6) . .
O3 K2 C28 C29 -162.8(5) . .
C27 K2 C28 C29 122.0(8) . .
C22 K2 C28 C29 171.8(5) . .
C31 K2 C28 C29 58.2(5) . .
C21 K2 C28 C29 153.0(6) . .
K3 K2 C28 C29 -130.8(5) . .
O7 K2 C28 K1 147.0(7) . .
O8 K2 C28 K1 -97.4(8) . .
O3 K2 C28 K1 17.0(7) . .
C27 K2 C28 K1 -58.2(7) . .
C22 K2 C28 K1 -8.4(8) . .
C31 K2 C28 K1 -122.0(8) . .
C29 K2 C28 K1 179.8(11) . .
C21 K2 C28 K1 -27.2(7) . .
K3 K2 C28 K1 49.0(7) . .
O7 K2 C28 K3 98.0(3) . .
O8 K2 C28 K3 -146.4(3) . .
O3 K2 C28 K3 -31.94(13) . .
C27 K2 C28 K3 -107.2(5) . .
C22 K2 C28 K3 -57.41(18) . .
C31 K2 C28 K3 -171.0(3) . .
C29 K2 C28 K3 130.8(5) . .
C21 K2 C28 K3 -76.14(18) . .
O1 K1 C28 O4 48.0(5) . .
O5 K1 C28 O4 -67.6(6) . .
O6 K1 C28 O4 -155.5(5) . .
O2 K1 C28 O4 117.0(5) . .
C6 K1 C28 O4 110.8(5) . .
K3 K1 C28 O4 22.3(3) . .
O1 K1 C28 C27 -74.8(6) . .
O4 K1 C28 C27 -122.8(7) . .
O5 K1 C28 C27 169.6(6) . .
O6 K1 C28 C27 81.7(5) . .
O2 K1 C28 C27 -5.8(8) . .
C6 K1 C28 C27 -12.0(5) . .
K3 K1 C28 C27 -100.5(5) . .
O1 K1 C28 C29 157.9(6) . .
O4 K1 C28 C29 109.8(8) . .
O5 K1 C28 C29 42.2(8) . .
O6 K1 C28 C29 -45.7(7) . .
O2 K1 C28 C29 -133.2(6) . .
C6 K1 C28 C29 -139.4(7) . .
K3 K1 C28 C29 132.1(7) . .
O1 K1 C28 K2 -21.9(9) . .
O4 K1 C28 K2 -69.9(8) . .
O5 K1 C28 K2 -137.5(8) . .
O6 K1 C28 K2 134.6(8) . .
O2 K1 C28 K2 47.1(11) . .
C6 K1 C28 K2 40.8(7) . .
K3 K1 C28 K2 -47.7(7) . .
O1 K1 C28 K3 25.8(3) . .
O4 K1 C28 K3 -22.3(3) . .
O5 K1 C28 K3 -89.9(4) . .
O6 K1 C28 K3 -177.8(2) . .
O2 K1 C28 K3 94.7(5) . .
C6 K1 C28 K3 88.5(2) . .
O3 K3 C28 O4 -156.8(6) . .
O9 K3 C28 O4 59.8(6) . .
O10 K3 C28 O4 -80.0(10) . .
C84 K3 C28 O4 54.7(7) . .
C55 K3 C28 O4 139.0(6) 2_554 .
K2 K3 C28 O4 168.9(6) . .
K1 K3 C28 O4 -29.1(4) . .
O3 K3 C28 C27 -30.5(5) . .
O4 K3 C28 C27 126.3(8) . .
O9 K3 C28 C27 -173.9(5) . .
O10 K3 C28 C27 46.4(11) . .
C84 K3 C28 C27 -179.0(7) . .
C55 K3 C28 C27 -94.7(5) 2_554 .
K2 K3 C28 C27 -64.8(5) . .
K1 K3 C28 C27 97.2(5) . .
O3 K3 C28 C29 106.6(8) . .
O4 K3 C28 C29 -96.6(9) . .
O9 K3 C28 C29 -36.8(9) . .
O10 K3 C28 C29 -176.5(9) . .
C84 K3 C28 C29 -41.9(9) . .
C55 K3 C28 C29 42.4(8) 2_554 .
K2 K3 C28 C29 72.3(7) . .
K1 K3 C28 C29 -125.7(8) . .
O3 K3 C28 K2 34.35(15) . .
O4 K3 C28 K2 -168.9(6) . .
O9 K3 C28 K2 -109.1(4) . .
O10 K3 C28 K2 111.2(8) . .
C84 K3 C28 K2 -114.2(5) . .
C55 K3 C28 K2 -29.9(3) 2_554 .
K1 K3 C28 K2 162.0(2) . .
O3 K3 C28 K1 -127.6(2) . .
O4 K3 C28 K1 29.1(4) . .
O9 K3 C28 K1 88.9(4) . .
O10 K3 C28 K1 -50.8(9) . .
C84 K3 C28 K1 83.8(5) . .
C55 K3 C28 K1 168.1(3) 2_554 .
K2 K3 C28 K1 -162.0(2) . .
O4 C28 C29 C30 177.9(8) . .
C27 C28 C29 C30 -3.4(12) . .
K2 C28 C29 C30 -65.4(8) . .
K1 C28 C29 C30 114.7(9) . .
K3 C28 C29 C30 -134.9(7) . .
O4 C28 C29 C57 0.3(13) . .
C27 C28 C29 C57 179.0(9) . .
K2 C28 C29 C57 116.9(9) . .
K1 C28 C29 C57 -63.0(10) . .
K3 C28 C29 C57 47.5(12) . .
O4 C28 C29 K2 -116.7(7) . .
C27 C28 C29 K2 62.1(6) . .
K1 C28 C29 K2 -179.9(5) . .
K3 C28 C29 K2 -69.5(5) . .
O7 K2 C29 C30 -84.7(6) . .
O8 K2 C29 C30 2.7(7) . .
O3 K2 C29 C30 142.2(5) . .
C27 K2 C29 C30 93.8(6) . .
C22 K2 C29 C30 117.0(5) . .
C28 K2 C29 C30 125.5(8) . .
C31 K2 C29 C30 25.5(5) . .
C21 K2 C29 C30 101.1(5) . .
K3 K2 C29 C30 165.6(5) . .
O7 K2 C29 C28 149.8(5) . .
O8 K2 C29 C28 -122.7(5) . .
O3 K2 C29 C28 16.7(5) . .
C27 K2 C29 C28 -31.7(5) . .
C22 K2 C29 C28 -8.5(5) . .
C31 K2 C29 C28 -100.0(6) . .
C21 K2 C29 C28 -24.4(5) . .
K3 K2 C29 C28 40.1(5) . .
O7 K2 C29 C57 36.1(8) . .
O8 K2 C29 C57 123.6(7) . .
O3 K2 C29 C57 -96.9(7) . .
C27 K2 C29 C57 -145.4(9) . .
C22 K2 C29 C57 -122.1(7) . .
C28 K2 C29 C57 -113.7(10) . .
C31 K2 C29 C57 146.3(9) . .
C21 K2 C29 C57 -138.1(7) . .
K3 K2 C29 C57 -73.6(7) . .
C28 C29 C30 C31 2.4(15) . .
C57 C29 C30 C31 -180.0(10) . .
K2 C29 C30 C31 -58.9(9) . .
C29 C30 C31 C32 -0.7(14) . .
C29 C30 C31 C61 -177.8(10) . .
C29 C30 C31 K2 60.8(9) . .
O7 K2 C31 C30 49.5(6) . .
O8 K2 C31 C30 137.8(6) . .
O3 K2 C31 C30 -101.0(6) . .
C27 K2 C31 C30 -90.0(6) . .
C22 K2 C31 C30 -125.5(6) . .
C28 K2 C31 C30 -57.4(6) . .
C29 K2 C31 C30 -25.7(5) . .
C21 K2 C31 C30 -125.1(6) . .
K3 K2 C31 C30 -64.9(6) . .
O7 K2 C31 C32 170.3(6) . .
O8 K2 C31 C32 -101.4(6) . .
O3 K2 C31 C32 19.8(6) . .
C27 K2 C31 C32 30.8(5) . .
C22 K2 C31 C32 -4.6(6) . .
C28 K2 C31 C32 63.5(5) . .
C29 K2 C31 C32 95.2(6) . .
C21 K2 C31 C32 -4.2(5) . .
K3 K2 C31 C32 55.9(6) . .
O7 K2 C31 C61 -72.7(8) . .
O8 K2 C31 C61 15.5(8) . .
O3 K2 C31 C61 136.7(7) . .
C27 K2 C31 C61 147.7(9) . .
C22 K2 C31 C61 112.3(7) . .
C28 K2 C31 C61 -179.6(8) . .
C29 K2 C31 C61 -147.9(8) . .
C21 K2 C31 C61 112.7(8) . .
K3 K2 C31 C61 172.8(7) . .
C30 C31 C32 C27 0.0(12) . .
C61 C31 C32 C27 177.1(9) . .
K2 C31 C32 C27 -70.7(7) . .
C28 C27 C32 C31 -1.2(13) . .
C20 C27 C32 C31 177.9(7) . .
K2 C27 C32 C31 77.0(8) . .
C11 C10 C33 C34 113.3(9) . .
C9 C10 C33 C34 -59.8(11) . .
C11 C10 C33 C35 -125.2(9) . .
C9 C10 C33 C35 61.8(10) . .
C11 C10 C33 C36 -6.5(13) . .
C9 C10 C33 C36 -179.5(9) . .
C13 C12 C37 C40 4(2) . .
C11 C12 C37 C40 -171.7(18) . .
C13 C12 C37 C39 135.0(14) . .
C11 C12 C37 C39 -41.2(17) . .
C13 C12 C37 C38 -115.2(15) . .
C11 C12 C37 C38 68.7(17) . .
C17 C16 C41 C43 -115.1(11) . .
C15 C16 C41 C43 58.2(12) . .
C17 C16 C41 C42 123.7(10) . .
C15 C16 C41 C42 -63.0(11) . .
C17 C16 C41 C44 4.1(14) . .
C15 C16 C41 C44 177.5(10) . .
C19 C18 C45 C47 -67.8(19) . .
C17 C18 C45 C47 114.9(16) . .
C19 C18 C45 C46 44.8(19) . .
C17 C18 C45 C46 -132.5(13) . .
C19 C18 C45 C48 159.5(15) . .
C17 C18 C45 C48 -18(2) . .
C24 C23 C49 C52 -116.4(9) . .
C22 C23 C49 C52 64.0(10) . .
C24 C23 C49 C50 122.5(10) . .
C22 C23 C49 C50 -57.1(11) . .
C24 C23 C49 C51 6.9(13) . .
C22 C23 C49 C51 -172.6(9) . .
C24 C25 C53 C55 -72.0(12) . .
C26 C25 C53 C55 105.7(11) . .
C24 C25 C53 C56 49.1(13) . .
C26 C25 C53 C56 -133.3(10) . .
C24 C25 C53 C54 168.9(11) . .
C26 C25 C53 C54 -13.5(14) . .
C56 C53 C55 K3 154.7(19) . 2
C54 C53 C55 K3 36(3) . 2
C25 C53 C55 K3 -85(2) . 2
C30 C29 C57 C58 -118.9(12) . .
C28 C29 C57 C58 58.6(14) . .
K2 C29 C57 C58 143.9(9) . .
C30 C29 C57 C59 116.3(11) . .
C28 C29 C57 C59 -66.1(12) . .
K2 C29 C57 C59 19.2(11) . .
C30 C29 C57 C60 -1.0(15) . .
C28 C29 C57 C60 176.6(10) . .
K2 C29 C57 C60 -98.2(11) . .
C30 C31 C61 C64 178.7(12) . .
C32 C31 C61 C64 1.7(17) . .
K2 C31 C61 C64 -80.1(13) . .
C30 C31 C61 C62 -62.0(14) . .
C32 C31 C61 C62 121.1(12) . .
K2 C31 C61 C62 39.2(13) . .
C30 C31 C61 C63 52.2(17) . .
C32 C31 C61 C63 -124.7(15) . .
K2 C31 C61 C63 153.4(14) . .
C76 O8 C73 C74 -12(2) . .
K2 O8 C73 C74 160.0(15) . .
O8 C73 C74 C75 3(3) . .
C73 C74 C75 C76 6(3) . .
C73 O8 C76 C75 14(2) . .
K2 O8 C76 C75 -156.2(13) . .
C74 C75 C76 O8 -12(3) . .
C84 O9 C81 C82 32(2) . .
K3 O9 C81 C82 -167.2(13) . .
O9 C81 C82 C83 -3(2) . .
C81 C82 C83 C84 -22(3) . .
C81 O9 C84 C83 -44(3) . .
K3 O9 C84 C83 150.6(14) . .
C81 O9 C84 K3 165(2) . .
C82 C83 C84 O9 42(3) . .
C82 C83 C84 K3 74(3) . .
O3 K3 C84 O9 99.4(18) . .
O4 K3 C84 O9 -178.9(19) . .
O10 K3 C84 O9 -27.8(19) . .
C55 K3 C84 O9 51.0(18) 2_554 .
C28 K3 C84 O9 166.2(18) . .
K2 K3 C84 O9 118.4(17) . .
K1 K3 C84 O9 -149.5(18) . .
O3 K3 C84 C83 54(2) . .
O4 K3 C84 C83 136(2) . .
O9 K3 C84 C83 -45(2) . .
O10 K3 C84 C83 -73(2) . .
C55 K3 C84 C83 6(2) 2_554 .
C28 K3 C84 C83 121(2) . .
K2 K3 C84 C83 73(2) . .
K1 K3 C84 C83 165(2) . .
