#------------------------------------------------------------------------------
#$Date: 2016-03-23 23:08:28 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179502 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/99/4339965.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_4339965
loop_
_publ_author_name
'Ishida, Yutaka'
'Kawaguchi, Hiroyuki'
_publ_section_title
;
 Methylene-Linked Anilide-Bis(aryloxide) Ligands: Lithium, Sodium,
 Potassium, Chromium(III), and Vanadium(III) Ligation.
;
_journal_issue                   13
_journal_name_full               'Inorganic chemistry'
_journal_page_first              6775
_journal_page_last               6787
_journal_paper_doi               10.1021/ic5005853
_journal_volume                  53
_journal_year                    2014
_chemical_formula_moiety         'C110 H156 K6 N2 O11'
_chemical_formula_sum            'C110 H156 K6 N2 O11'
_chemical_formula_weight         1916.97
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                101.930(3)
_cell_angle_beta                 93.093(3)
_cell_angle_gamma                113.386(2)
_cell_formula_units_Z            2
_cell_length_a                   14.396(6)
_cell_length_b                   17.804(7)
_cell_length_c                   23.302(8)
_cell_measurement_reflns_used    9199
_cell_measurement_temperature    123
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.0
_cell_volume                     5302(4)
_computing_cell_refinement       'Rigaku CrystalClear-SM Expert 2.0 r1'
_computing_data_collection       'Rigaku CrystalClear-SM Expert 2.0 r1'
_computing_data_reduction        'Rigaku CrystalClear-SM Expert 2.0 r1'
_computing_molecular_graphics
'Yadokari-XG 2009 (Wakita Nemoto et al., 2009)'
_computing_publication_material
'Yadokari-XG 2009 (Wakita,Nemoto et al., 2009)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR2004 (Burla et al., 2005)'
_diffrn_ambient_temperature      123(2)
_diffrn_detector_area_resol_mean 13.6612
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Rigaku Mercury375R CCD'
_diffrn_measurement_method       'profile data from ω-scans'
_diffrn_radiation_monochromator  'Graphite Monochromator'
_diffrn_radiation_source         'Sealed Tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0808
_diffrn_reflns_av_sigmaI/netI    0.1301
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            56913
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         3.02
_exptl_absorpt_coefficient_mu    0.304
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.789
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
Jacobson, R. (1998). REQAB. Private communication to the 
Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.201
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             2064
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.440
_refine_diff_density_min         -0.425
_refine_diff_density_rms         0.074
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.231
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1242
_refine_ls_number_reflns         24261
_refine_ls_number_restraints     180
_refine_ls_restrained_S_all      1.228
_refine_ls_R_factor_all          0.1419
_refine_ls_R_factor_gt           0.0651
_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)+(0.0387P)²+0.2548P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1197
_refine_ls_wR_factor_ref         0.1866
_reflns_number_gt                13448
_reflns_number_total             24261
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic5005853_si_001.cif
_cod_data_source_block           k3
_cod_depositor_comments
;
The following automatic conversions were performed:
'_atom_site_symetry_multiplicity' tag replaced with
'_atom_site_symmetry_multiplicity'.

Automatic conversion script
Id: cif_correct_tags 1440 2010-10-19 06:21:57Z saulius 

The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Multi-scan' changed to
'multi-scan' according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 

 Adding full bibliography for 4339961--4339971.cif.
;
_cod_database_code               4339965
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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
K1 K 0.89722(7) 0.68472(5) 0.21694(4) 0.0265(2) Uani 1 1 d . B .
K2 K 0.80088(7) 0.83207(5) 0.27578(4) 0.0276(2) Uani 1 1 d . . .
K3 K 0.66221(7) 0.48456(5) 0.23379(4) 0.0261(2) Uani 1 1 d . B .
K4 K 0.67015(7) 0.34618(5) 0.10326(4) 0.0276(2) Uani 1 1 d . B .
K5 K 0.95874(7) 0.56259(6) 0.36094(4) 0.0296(2) Uani 1 1 d . B .
K6 K 0.31657(8) 0.09293(6) 0.25271(4) 0.0368(2) Uani 1 1 d . . .
O1 O 0.9609(2) 0.84141(16) 0.21937(12) 0.0278(6) Uani 1 1 d . . .
N1 N 0.9931(2) 0.73040(19) 0.33575(14) 0.0239(7) Uani 1 1 d . . .
O2 O 0.7189(2) 0.66226(16) 0.25199(12) 0.0261(6) Uani 1 1 d . . .
O3 O 0.5372(2) 0.33298(16) 0.18273(12) 0.0276(6) Uani 1 1 d . B .
N2 N 0.7824(2) 0.41747(19) 0.28335(14) 0.0246(7) Uani 1 1 d . B .
O4 O 0.77177(19) 0.51194(16) 0.14819(11) 0.0244(6) Uani 1 1 d . B .
C1 C 1.0111(3) 0.9236(2) 0.23223(17) 0.0239(9) Uani 1 1 d . . .
C2 C 1.0098(3) 0.9738(2) 0.19101(18) 0.0268(9) Uani 1 1 d . . .
C3 C 1.0559(3) 1.0611(3) 0.21188(19) 0.0318(10) Uani 1 1 d . . .
H73 H 1.0539 1.0939 0.1848 0.038 Uiso 1 1 calc R . .
C4 C 1.1045(3) 1.1040(3) 0.2695(2) 0.0318(10) Uani 1 1 d . . .
C5 C 1.1131(3) 1.0553(2) 0.30750(19) 0.0283(9) Uani 1 1 d . . .
H74 H 1.1493 1.0829 0.3466 0.034 Uiso 1 1 calc R . .
C6 C 1.0704(3) 0.9678(2) 0.29001(17) 0.0240(9) Uani 1 1 d . . .
C7 C 0.9554(3) 0.9297(3) 0.12693(18) 0.0314(10) Uani 1 1 d . . .
C8 C 1.0017(3) 0.8700(3) 0.09719(19) 0.0358(11) Uani 1 1 d . . .
H1 H 0.9620 0.8378 0.0579 0.054 Uiso 1 1 calc R . .
H2 H 0.9998 0.8309 0.1217 0.054 Uiso 1 1 calc R . .
H3 H 1.0728 0.9032 0.0931 0.054 Uiso 1 1 calc R . .
C9 C 0.8399(3) 0.8796(3) 0.12617(19) 0.0373(11) Uani 1 1 d . . .
H4 H 0.8111 0.9180 0.1455 0.056 Uiso 1 1 calc R . .
H5 H 0.8294 0.8355 0.1474 0.056 Uiso 1 1 calc R . .
H6 H 0.8058 0.8535 0.0850 0.056 Uiso 1 1 calc R . .
C10 C 0.9667(4) 0.9925(3) 0.0884(2) 0.0473(13) Uani 1 1 d . . .
H7 H 0.9356 1.0306 0.1051 0.071 Uiso 1 1 calc R . .
H8 H 0.9323 0.9614 0.0479 0.071 Uiso 1 1 calc R . .
H9 H 1.0395 1.0256 0.0878 0.071 Uiso 1 1 calc R . .
C11 C 1.1411(4) 1.1990(3) 0.2910(2) 0.0457(13) Uani 1 1 d . . .
H10 H 1.1691 1.2257 0.2592 0.069 Uiso 1 1 calc R . .
H11 H 1.1945 1.2206 0.3256 0.069 Uiso 1 1 calc R . .
H12 H 1.0835 1.2122 0.3019 0.069 Uiso 1 1 calc R . .
C12 C 1.0848(3) 0.9147(2) 0.32980(17) 0.0247(9) Uani 1 1 d . . .
H89 H 1.1459 0.9506 0.3600 0.030 Uiso 1 1 calc R . .
H90 H 1.0990 0.8690 0.3055 0.030 Uiso 1 1 calc R . .
C13 C 0.9519(3) 0.7870(2) 0.35942(16) 0.0222(8) Uani 1 1 d . . .
C14 C 0.9952(3) 0.8750(2) 0.36159(16) 0.0211(8) Uani 1 1 d . . .
C15 C 0.9509(3) 0.9269(2) 0.39048(17) 0.0244(9) Uani 1 1 d . . .
H91 H 0.9838 0.9859 0.3935 0.029 Uiso 1 1 calc R . .
C16 C 0.8612(3) 0.8964(2) 0.41490(17) 0.0249(9) Uani 1 1 d . . .
C17 C 0.8132(3) 0.8087(2) 0.40538(17) 0.0244(9) Uani 1 1 d . . .
H92 H 0.7491 0.7847 0.4186 0.029 Uiso 1 1 calc R . .
C18 C 0.8540(3) 0.7547(2) 0.37763(17) 0.0241(9) Uani 1 1 d . . .
C19 C 0.8123(3) 0.9518(2) 0.44826(18) 0.0271(9) Uani 1 1 d . . .
C20 C 0.8794(3) 1.0461(3) 0.45658(19) 0.0367(11) Uani 1 1 d . . .
H13 H 0.8449 1.0792 0.4769 0.055 Uiso 1 1 calc R . .
H14 H 0.8907 1.0580 0.4177 0.055 Uiso 1 1 calc R . .
H15 H 0.9453 1.0613 0.4804 0.055 Uiso 1 1 calc R . .
C21 C 0.7986(3) 0.9351(3) 0.51019(18) 0.0352(11) Uani 1 1 d . . .
H16 H 0.8651 0.9468 0.5318 0.053 Uiso 1 1 calc R . .
H17 H 0.7518 0.8759 0.5060 0.053 Uiso 1 1 calc R . .
H18 H 0.7700 0.9720 0.5322 0.053 Uiso 1 1 calc R . .
C22 C 0.7068(3) 0.9301(3) 0.4144(2) 0.0377(11) Uani 1 1 d . . .
H19 H 0.6749 0.9635 0.4372 0.057 Uiso 1 1 calc R . .
H20 H 0.6634 0.8698 0.4088 0.057 Uiso 1 1 calc R . .
H21 H 0.7149 0.9432 0.3757 0.057 Uiso 1 1 calc R . .
C23 C 1.0957(3) 0.7513(2) 0.34886(17) 0.0229(9) Uani 1 1 d . . .
C24 C 1.1395(3) 0.7026(2) 0.31467(18) 0.0278(9) Uani 1 1 d . . .
H75 H 1.0973 0.6573 0.2821 0.033 Uiso 1 1 calc R . .
C25 C 1.2417(3) 0.7184(3) 0.32676(19) 0.0312(10) Uani 1 1 d . . .
H76 H 1.2673 0.6837 0.3021 0.037 Uiso 1 1 calc R . .
C26 C 1.3078(3) 0.7826(3) 0.3734(2) 0.0333(10) Uani 1 1 d . . .
C27 C 1.2658(3) 0.8309(3) 0.40884(18) 0.0301(10) Uani 1 1 d . . .
H77 H 1.3087 0.8752 0.4417 0.036 Uiso 1 1 calc R . .
C28 C 1.1638(3) 0.8160(2) 0.39762(17) 0.0257(9) Uani 1 1 d . . .
H78 H 1.1386 0.8500 0.4232 0.031 Uiso 1 1 calc R . .
C29 C 1.4206(3) 0.8024(3) 0.3859(2) 0.0455(13) Uani 1 1 d . . .
H22 H 1.4330 0.7548 0.3642 0.068 Uiso 1 1 calc R . .
H23 H 1.4408 0.8121 0.4286 0.068 Uiso 1 1 calc R . .
H24 H 1.4610 0.8532 0.3730 0.068 Uiso 1 1 calc R . .
C30 C 0.7908(3) 0.6597(2) 0.36517(17) 0.0243(9) Uani 1 1 d . . .
H93 H 0.8168 0.6303 0.3337 0.029 Uiso 1 1 calc R . .
H94 H 0.7980 0.6405 0.4014 0.029 Uiso 1 1 calc R . .
C31 C 0.6501(3) 0.6435(2) 0.28827(18) 0.0244(9) Uani 1 1 d . . .
C32 C 0.5449(3) 0.6269(2) 0.27122(19) 0.0272(9) Uani 1 1 d . . .
C33 C 0.4796(3) 0.6120(3) 0.31402(19) 0.0333(10) Uani 1 1 d . . .
H95 H 0.4110 0.6039 0.3036 0.040 Uiso 1 1 calc R . .
C34 C 0.5089(3) 0.6081(3) 0.37072(19) 0.0331(10) Uani 1 1 d . . .
C35 C 0.6091(3) 0.6197(2) 0.38516(19) 0.0306(10) Uani 1 1 d . . .
H96 H 0.6305 0.6156 0.4232 0.037 Uiso 1 1 calc R . .
C36 C 0.6789(3) 0.6371(2) 0.34575(18) 0.0245(9) Uani 1 1 d . . .
C37 C 0.5057(3) 0.6273(3) 0.20841(19) 0.0329(10) Uani 1 1 d . . .
C38 C 0.5196(3) 0.5577(3) 0.16206(19) 0.0371(11) Uani 1 1 d . . .
H25 H 0.5920 0.5677 0.1662 0.056 Uiso 1 1 calc R . .
H26 H 0.4972 0.5592 0.1220 0.056 Uiso 1 1 calc R . .
H27 H 0.4785 0.5022 0.1688 0.056 Uiso 1 1 calc R . .
C39 C 0.3916(3) 0.6077(3) 0.1990(2) 0.0450(12) Uani 1 1 d . . .
H28 H 0.3517 0.5515 0.2049 0.067 Uiso 1 1 calc R . .
H29 H 0.3713 0.6092 0.1586 0.067 Uiso 1 1 calc R . .
H30 H 0.3788 0.6500 0.2276 0.067 Uiso 1 1 calc R . .
C40 C 0.5650(3) 0.7129(3) 0.1946(2) 0.0443(12) Uani 1 1 d . . .
H31 H 0.5620 0.7581 0.2257 0.067 Uiso 1 1 calc R . .
H32 H 0.5343 0.7133 0.1562 0.067 Uiso 1 1 calc R . .
H33 H 0.6365 0.7222 0.1933 0.067 Uiso 1 1 calc R . .
C41 C 0.4353(4) 0.5933(3) 0.4157(2) 0.0541(14) Uani 1 1 d . . .
H34 H 0.3986 0.5325 0.4118 0.081 Uiso 1 1 calc R . .
H35 H 0.3861 0.6169 0.4085 0.081 Uiso 1 1 calc R . .
H36 H 0.4738 0.6209 0.4558 0.081 Uiso 1 1 calc R . .
C42 C 0.4852(3) 0.2513(2) 0.16708(17) 0.0248(9) Uani 1 1 d . . .
C43 C 0.3869(3) 0.2102(3) 0.12945(18) 0.0274(9) Uani 1 1 d . B .
C44 C 0.3418(3) 0.1222(3) 0.11057(18) 0.0293(10) Uani 1 1 d . B .
H79 H 0.2778 0.0960 0.0852 0.035 Uiso 1 1 calc R . .
C45 C 0.3843(3) 0.0705(2) 0.12649(18) 0.0279(9) Uani 1 1 d . B .
C46 C 0.4762(3) 0.1103(2) 0.16604(17) 0.0260(9) Uani 1 1 d . B .
H80 H 0.5063 0.0765 0.1787 0.031 Uiso 1 1 calc R . .
C47 C 0.5253(3) 0.1977(2) 0.18757(17) 0.0239(9) Uani 1 1 d . B .
C48 C 0.3368(3) 0.2639(3) 0.1088(2) 0.0345(11) Uani 1 1 d . . .
C49 C 0.4067(3) 0.3210(3) 0.0727(2) 0.0394(11) Uani 1 1 d . B .
H37 H 0.3725 0.3529 0.0581 0.059 Uiso 1 1 calc R . .
H38 H 0.4205 0.2860 0.0389 0.059 Uiso 1 1 calc R . .
H39 H 0.4713 0.3605 0.0981 0.059 Uiso 1 1 calc R . .
C50 C 0.3174(4) 0.3190(3) 0.1624(2) 0.0441(12) Uani 1 1 d . B .
H40 H 0.2706 0.2828 0.1844 0.066 Uiso 1 1 calc R . .
H41 H 0.2867 0.3537 0.1487 0.066 Uiso 1 1 calc R . .
H42 H 0.3824 0.3558 0.1884 0.066 Uiso 1 1 calc R . .
C51 C 0.2325(3) 0.2095(3) 0.0690(2) 0.0527(15) Uani 1 1 d . B .
H43 H 0.1859 0.1730 0.0909 0.079 Uiso 1 1 calc R . .
H44 H 0.2420 0.1744 0.0334 0.079 Uiso 1 1 calc R . .
H45 H 0.2034 0.2464 0.0574 0.079 Uiso 1 1 calc R . .
C52 C 0.3346(4) -0.0238(3) 0.1007(2) 0.0427(12) Uani 1 1 d . . .
H46 H 0.2630 -0.0462 0.1073 0.064 Uiso 1 1 calc R B .
H47 H 0.3711 -0.0502 0.1201 0.064 Uiso 1 1 calc R . .
H48 H 0.3373 -0.0361 0.0580 0.064 Uiso 1 1 calc R . .
C53 C 0.6207(3) 0.2393(2) 0.23318(16) 0.0227(8) Uani 1 1 d . . .
H97 H 0.6254 0.1967 0.2532 0.027 Uiso 1 1 calc R B .
H98 H 0.6141 0.2840 0.2636 0.027 Uiso 1 1 calc R . .
C54 C 0.7882(3) 0.3650(2) 0.23164(17) 0.0216(8) Uani 1 1 d . . .
C55 C 0.7198(3) 0.2784(2) 0.20834(16) 0.0203(8) Uani 1 1 d . B .
C56 C 0.7406(3) 0.2290(2) 0.16025(16) 0.0228(9) Uani 1 1 d . . .
H81 H 0.6962 0.1706 0.1474 0.027 Uiso 1 1 calc R B .
C57 C 0.8232(3) 0.2611(2) 0.13033(16) 0.0228(8) Uani 1 1 d . B .
C58 C 0.8806(3) 0.3491(2) 0.14795(17) 0.0232(9) Uani 1 1 d . . .
H82 H 0.9329 0.3746 0.1259 0.028 Uiso 1 1 calc R B .
C59 C 0.8642(3) 0.4005(2) 0.19613(16) 0.0212(8) Uani 1 1 d . B .
C60 C 0.8529(3) 0.2070(2) 0.08074(17) 0.0244(9) Uani 1 1 d . . .
C61 C 0.8461(3) 0.2343(3) 0.02293(18) 0.0346(10) Uani 1 1 d . B .
H49 H 0.8680 0.2014 -0.0080 0.052 Uiso 1 1 calc R . .
H50 H 0.8907 0.2945 0.0295 0.052 Uiso 1 1 calc R . .
H51 H 0.7753 0.2245 0.0104 0.052 Uiso 1 1 calc R . .
C62 C 0.9640(3) 0.2197(3) 0.0989(2) 0.0356(11) Uani 1 1 d . B .
H52 H 0.9693 0.2041 0.1365 0.053 Uiso 1 1 calc R . .
H53 H 1.0106 0.2791 0.1038 0.053 Uiso 1 1 calc R . .
H54 H 0.9827 0.1840 0.0681 0.053 Uiso 1 1 calc R . .
C63 C 0.7838(3) 0.1126(2) 0.06956(18) 0.0313(10) Uani 1 1 d . B .
H55 H 0.7127 0.1026 0.0577 0.047 Uiso 1 1 calc R . .
H56 H 0.7890 0.0941 0.1060 0.047 Uiso 1 1 calc R . .
H57 H 0.8056 0.0806 0.0379 0.047 Uiso 1 1 calc R . .
C64 C 0.7683(3) 0.3885(2) 0.33383(17) 0.0224(8) Uani 1 1 d . . .
C65 C 0.7389(3) 0.4325(2) 0.38202(18) 0.0279(9) Uani 1 1 d . B .
H83 H 0.7217 0.4771 0.3767 0.034 Uiso 1 1 calc R . .
C66 C 0.7341(3) 0.4129(3) 0.43659(18) 0.0316(10) Uani 1 1 d . . .
H84 H 0.7127 0.4439 0.4671 0.038 Uiso 1 1 calc R B .
C67 C 0.7594(3) 0.3496(3) 0.44807(18) 0.0332(10) Uani 1 1 d . B .
C68 C 0.7862(3) 0.3036(3) 0.40067(19) 0.0319(10) Uani 1 1 d . . .
H85 H 0.8020 0.2585 0.4065 0.038 Uiso 1 1 calc R B .
C69 C 0.7902(3) 0.3216(2) 0.34594(17) 0.0239(9) Uani 1 1 d . B .
H86 H 0.8082 0.2882 0.3152 0.029 Uiso 1 1 calc R . .
C70 C 0.7588(4) 0.3315(3) 0.50878(19) 0.0514(14) Uani 1 1 d . . .
H58 H 0.8027 0.3834 0.5387 0.077 Uiso 1 1 calc R B .
H59 H 0.7845 0.2882 0.5090 0.077 Uiso 1 1 calc R . .
H60 H 0.6887 0.3113 0.5180 0.077 Uiso 1 1 calc R . .
C71 C 0.9296(3) 0.4953(2) 0.21096(16) 0.0238(9) Uani 1 1 d . . .
H99 H 0.8965 0.5245 0.2378 0.029 Uiso 1 1 calc R B .
H100 H 0.9973 0.5077 0.2323 0.029 Uiso 1 1 calc R . .
C72 C 0.8581(3) 0.5330(2) 0.12548(17) 0.0226(8) Uani 1 1 d . . .
C73 C 0.8721(3) 0.5630(2) 0.07293(17) 0.0250(9) Uani 1 1 d . B .
C74 C 0.9680(3) 0.5869(2) 0.05462(18) 0.0286(9) Uani 1 1 d . . .
H87 H 0.9763 0.6061 0.0193 0.034 Uiso 1 1 calc R B .
C75 C 1.0529(3) 0.5846(2) 0.08507(18) 0.0271(9) Uani 1 1 d . B .
C76 C 1.0386(3) 0.5553(2) 0.13583(17) 0.0253(9) Uani 1 1 d . . .
H88 H 1.0945 0.5524 0.1573 0.030 Uiso 1 1 calc R B .
C77 C 0.9446(3) 0.5300(2) 0.15646(16) 0.0226(8) Uani 1 1 d . B .
C78 C 0.7836(3) 0.5717(3) 0.03821(18) 0.0305(10) Uani 1 1 d . . .
C79 C 0.7605(3) 0.6420(3) 0.0772(2) 0.0393(11) Uani 1 1 d . B .
H61 H 0.7061 0.6494 0.0552 0.059 Uiso 1 1 calc R . .
H62 H 0.8225 0.6951 0.0874 0.059 Uiso 1 1 calc R . .
H63 H 0.7383 0.6259 0.1136 0.059 Uiso 1 1 calc R . .
C80 C 0.8129(3) 0.5968(3) -0.02004(19) 0.0375(11) Uani 1 1 d . B .
H64 H 0.8329 0.5553 -0.0441 0.056 Uiso 1 1 calc R . .
H65 H 0.8703 0.6528 -0.0108 0.056 Uiso 1 1 calc R . .
H66 H 0.7540 0.5983 -0.0421 0.056 Uiso 1 1 calc R . .
C81 C 0.6855(3) 0.4890(3) 0.02232(19) 0.0346(10) Uani 1 1 d . B .
H67 H 0.6351 0.4941 -0.0048 0.052 Uiso 1 1 calc R . .
H68 H 0.6571 0.4779 0.0586 0.052 Uiso 1 1 calc R . .
H69 H 0.7017 0.4422 0.0031 0.052 Uiso 1 1 calc R . .
C82 C 1.1548(3) 0.6119(3) 0.0628(2) 0.0377(11) Uani 1 1 d . . .
H70 H 1.2037 0.6031 0.0885 0.057 Uiso 1 1 calc R B .
H71 H 1.1808 0.6720 0.0631 0.057 Uiso 1 1 calc R . .
H72 H 1.1462 0.5785 0.0222 0.057 Uiso 1 1 calc R . .
O5 O 0.7641(2) 0.96878(19) 0.27384(14) 0.0406(8) Uani 1 1 d . . .
C83 C 0.6721(4) 0.9745(3) 0.2547(2) 0.0503(14) Uani 1 1 d . . .
H101 H 0.6387 0.9875 0.2891 0.060 Uiso 1 1 calc R . .
H102 H 0.6238 0.9206 0.2274 0.060 Uiso 1 1 calc R . .
C84 C 0.7029(4) 1.0446(4) 0.2235(3) 0.0631(16) Uani 1 1 d . . .
H103 H 0.6682 1.0821 0.2361 0.076 Uiso 1 1 calc R . .
H104 H 0.6852 1.0216 0.1799 0.076 Uiso 1 1 calc R . .
C85 C 0.8194(4) 1.0928(3) 0.2418(3) 0.0596(15) Uani 1 1 d . . .
H105 H 0.8557 1.0855 0.2077 0.071 Uiso 1 1 calc R . .
H106 H 0.8391 1.1539 0.2583 0.071 Uiso 1 1 calc R . .
C86 C 0.8423(4) 1.0532(3) 0.2880(2) 0.0510(14) Uani 1 1 d . . .
H107 H 0.9108 1.0529 0.2869 0.061 Uiso 1 1 calc R . .
H108 H 0.8406 1.0845 0.3280 0.061 Uiso 1 1 calc R . .
O6 O 0.5797(2) 0.22765(19) 0.00232(13) 0.0434(8) Uani 1 1 d . . .
C87 C 0.5244(4) 0.1436(3) 0.0085(2) 0.0443(12) Uani 1 1 d . B .
H109 H 0.5061 0.1447 0.0489 0.053 Uiso 1 1 calc R . .
H110 H 0.5661 0.1107 0.0012 0.053 Uiso 1 1 calc R . .
C88 C 0.4295(4) 0.1051(3) -0.0371(2) 0.0593(16) Uani 1 1 d . . .
H111 H 0.4123 0.0448 -0.0551 0.071 Uiso 1 1 calc R B .
H112 H 0.3706 0.1095 -0.0191 0.071 Uiso 1 1 calc R . .
C89 C 0.4562(4) 0.1554(3) -0.0822(2) 0.0648(17) Uani 1 1 d . B .
H113 H 0.4646 0.1213 -0.1193 0.078 Uiso 1 1 calc R . .
H114 H 0.4016 0.1735 -0.0915 0.078 Uiso 1 1 calc R . .
C90 C 0.5532(4) 0.2295(3) -0.0563(2) 0.0651(17) Uani 1 1 d . B .
H115 H 0.6078 0.2279 -0.0799 0.078 Uiso 1 1 calc R . .
H116 H 0.5450 0.2821 -0.0563 0.078 Uiso 1 1 calc R . .
O7 O 0.9751(2) 0.6339(2) 0.47763(13) 0.0435(8) Uani 1 1 d . . .
C91 C 0.9368(4) 0.5992(3) 0.5264(2) 0.0477(13) Uani 1 1 d . B .
H117 H 0.9933 0.6143 0.5588 0.057 Uiso 1 1 calc R . .
H118 H 0.8999 0.5369 0.5135 0.057 Uiso 1 1 calc R . .
C92 C 0.8651(4) 0.6389(3) 0.5460(2) 0.0537(14) Uani 1 1 d . . .
H119 H 0.8591 0.6421 0.5885 0.064 Uiso 1 1 calc R B .
H120 H 0.7962 0.6066 0.5221 0.064 Uiso 1 1 calc R . .
C93 C 0.9159(5) 0.7275(3) 0.5352(2) 0.0612(16) Uani 1 1 d . B .
H121 H 0.8652 0.7416 0.5147 0.073 Uiso 1 1 calc R . .
H122 H 0.9487 0.7708 0.5731 0.073 Uiso 1 1 calc R . .
C94 C 0.9952(4) 0.7217(3) 0.4963(2) 0.0442(12) Uani 1 1 d . B .
H123 H 0.9896 0.7442 0.4614 0.053 Uiso 1 1 calc R . .
H124 H 1.0651 0.7548 0.5188 0.053 Uiso 1 1 calc R . .
O8 O 1.0659(2) 0.4630(2) 0.33461(15) 0.0465(8) Uani 1 1 d . . .
C95 C 1.1749(4) 0.4981(3) 0.3422(3) 0.0574(15) Uani 1 1 d . A .
H125 H 1.2030 0.5058 0.3838 0.069 Uiso 0.53(2) 1 calc PR A 1
H126 H 1.2022 0.5538 0.3325 0.069 Uiso 0.53(2) 1 calc PR A 1
H127 H 1.2021 0.4748 0.3706 0.069 Uiso 0.47(2) 1 calc PR A 2
H128 H 1.2042 0.5604 0.3567 0.069 Uiso 0.47(2) 1 calc PR A 2
C96B C 1.1987(8) 0.4729(12) 0.2819(7) 0.055(5) Uani 0.47(2) 1 d P A 2
H129 H 1.2639 0.4664 0.2840 0.066 Uiso 0.47(2) 1 calc PR A 2
H130 H 1.2034 0.5151 0.2590 0.066 Uiso 0.47(2) 1 calc PR A 2
C96A C 1.2057(7) 0.4330(8) 0.2981(5) 0.041(3) Uani 0.53(2) 1 d P A 1
H131 H 1.2655 0.4623 0.2794 0.049 Uiso 0.53(2) 1 calc PR A 1
H132 H 1.2198 0.3940 0.3183 0.049 Uiso 0.53(2) 1 calc PR A 1
C97 C 1.1076(4) 0.3876(3) 0.2535(2) 0.0480(13) Uani 1 1 d . . .
H133 H 1.1034 0.4216 0.2256 0.058 Uiso 0.53(2) 1 calc PR A 1
H134 H 1.1002 0.3314 0.2309 0.058 Uiso 0.53(2) 1 calc PR A 1
H135 H 1.0790 0.3870 0.2137 0.058 Uiso 0.47(2) 1 calc PR A 2
H136 H 1.1288 0.3405 0.2497 0.058 Uiso 0.47(2) 1 calc PR A 2
C98 C 1.0304(4) 0.3806(3) 0.2956(2) 0.0442(12) Uani 1 1 d . A .
H137 H 0.9615 0.3638 0.2737 0.053 Uiso 1 1 calc R . .
H138 H 1.0271 0.3384 0.3181 0.053 Uiso 1 1 calc R . .
O9 O 0.3880(3) 0.2427(2) 0.33793(17) 0.0658(11) Uani 1 1 d . B .
C99 C 0.4505(5) 0.3157(4) 0.3200(3) 0.093(2) Uani 1 1 d . . .
H139 H 0.4288 0.3096 0.2776 0.111 Uiso 1 1 calc R B .
H140 H 0.5230 0.3243 0.3255 0.111 Uiso 1 1 calc R . .
C100 C 0.4385(6) 0.3862(4) 0.3565(4) 0.107(3) Uani 1 1 d . B .
H141 H 0.3835 0.3964 0.3369 0.128 Uiso 1 1 calc R . .
H142 H 0.5030 0.4381 0.3642 0.128 Uiso 1 1 calc R . .
C101 C 0.4118(7) 0.3625(5) 0.4119(3) 0.105(3) Uani 1 1 d . . .
H143 H 0.3505 0.3713 0.4224 0.126 Uiso 1 1 calc R B .
H144 H 0.4692 0.3966 0.4448 0.126 Uiso 1 1 calc R . .
C102 C 0.3908(6) 0.2716(4) 0.4004(3) 0.099(3) Uani 1 1 d . B .
H145 H 0.4454 0.2641 0.4230 0.118 Uiso 1 1 calc R . .
H146 H 0.3244 0.2393 0.4124 0.118 Uiso 1 1 calc R . .
O10 O 0.3072(3) -0.0654(2) 0.23548(15) 0.0498(9) Uani 1 1 d . B .
C103 C 0.3956(5) -0.0827(4) 0.2458(3) 0.096(3) Uani 1 1 d . . .
H147 H 0.4157 -0.0729 0.2889 0.115 Uiso 1 1 calc R B .
H148 H 0.4538 -0.0446 0.2302 0.115 Uiso 1 1 calc R . .
C104 C 0.3698(5) -0.1702(4) 0.2160(3) 0.0648(16) Uani 1 1 d . B .
H149 H 0.3747 -0.2023 0.2451 0.078 Uiso 1 1 calc R . .
H150 H 0.4167 -0.1735 0.1870 0.078 Uiso 1 1 calc R . .
C105 C 0.2613(5) -0.2051(3) 0.1848(3) 0.0667(17) Uani 1 1 d . . .
H151 H 0.2596 -0.2041 0.1424 0.080 Uiso 1 1 calc R B .
H152 H 0.2215 -0.2637 0.1877 0.080 Uiso 1 1 calc R . .
C106 C 0.2213(4) -0.1460(3) 0.2181(3) 0.0676(18) Uani 1 1 d . B .
H153 H 0.1660 -0.1436 0.1924 0.081 Uiso 1 1 calc R . .
H154 H 0.1941 -0.1645 0.2533 0.081 Uiso 1 1 calc R . .
O11A O 0.443(2) 0.083(3) 0.3395(11) 0.058(5) Uani 0.466(18) 1 d PDU B 1
C107 C 0.5483(18) 0.1273(16) 0.3624(9) 0.049(4) Uani 0.466(18) 1 d PDU B 1
H155 H 0.5667 0.1886 0.3758 0.059 Uiso 0.466(18) 1 calc PR B 1
H156 H 0.5901 0.1182 0.3315 0.059 Uiso 0.466(18) 1 calc PR B 1
C108 C 0.5667(11) 0.0941(12) 0.4128(7) 0.059(3) Uani 0.466(18) 1 d PDU B 1
H157 H 0.6275 0.1360 0.4414 0.071 Uiso 0.466(18) 1 calc PR B 1
H158 H 0.5756 0.0412 0.3992 0.071 Uiso 0.466(18) 1 calc PR B 1
C109 C 0.4656(11) 0.0777(13) 0.4404(6) 0.067(4) Uani 0.466(18) 1 d PDU B 1
H159 H 0.4545 0.0391 0.4670 0.080 Uiso 0.466(18) 1 calc PR B 1
H160 H 0.4617 0.1305 0.4612 0.080 Uiso 0.466(18) 1 calc PR B 1
C110 C 0.3928(13) 0.0346(16) 0.3795(8) 0.068(5) Uani 0.466(18) 1 d PDU B 1
H161 H 0.3830 -0.0249 0.3656 0.082 Uiso 0.466(18) 1 calc PR B 1
H162 H 0.3252 0.0357 0.3831 0.082 Uiso 0.466(18) 1 calc PR B 1
O11B O 0.4468(16) 0.094(2) 0.3446(9) 0.049(3) Uani 0.534(18) 1 d PDU B 2
C111 C 0.5500(17) 0.1467(14) 0.3707(8) 0.056(4) Uani 0.534(18) 1 d PDU B 2
H163 H 0.5647 0.2068 0.3739 0.068 Uiso 0.534(18) 1 calc PR B 2
H164 H 0.5971 0.1321 0.3459 0.068 Uiso 0.534(18) 1 calc PR B 2
C112 C 0.5645(10) 0.1327(10) 0.4299(7) 0.073(4) Uani 0.534(18) 1 d PDU B 2
H165 H 0.5604 0.1782 0.4609 0.087 Uiso 0.534(18) 1 calc PR B 2
H166 H 0.6319 0.1313 0.4382 0.087 Uiso 0.534(18) 1 calc PR B 2
C113 C 0.4766(11) 0.0462(9) 0.4285(7) 0.068(4) Uani 0.534(18) 1 d PDU B 2
H167 H 0.4586 0.0411 0.4684 0.081 Uiso 0.534(18) 1 calc PR B 2
H168 H 0.4909 -0.0021 0.4090 0.081 Uiso 0.534(18) 1 calc PR B 2
C114 C 0.3942(11) 0.0585(11) 0.3890(8) 0.058(4) Uani 0.534(18) 1 d PDU B 2
H169 H 0.3356 0.0037 0.3709 0.069 Uiso 0.534(18) 1 calc PR B 2
H170 H 0.3685 0.0970 0.4129 0.069 Uiso 0.534(18) 1 calc PR B 2
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'
N N 0.0061 0.0033 '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
O1 K1 O2 97.95(9) . .
O1 K1 N1 89.06(9) . .
O2 K1 N1 91.14(9) . .
O1 K1 C72 134.47(10) . .
O2 K1 C72 105.49(10) . .
N1 K1 C72 128.06(10) . .
O1 K1 O4 145.70(9) . .
O2 K1 O4 79.68(8) . .
N1 K1 O4 125.05(8) . .
C72 K1 O4 26.23(9) . .
O1 K1 C77 137.66(10) . .
O2 K1 C77 121.58(9) . .
N1 K1 C77 103.52(10) . .
C72 K1 C77 26.81(10) . .
O4 K1 C77 45.61(9) . .
O1 K1 C13 73.92(9) . .
O2 K1 C13 74.56(9) . .
N1 K1 C13 24.61(9) . .
C72 K1 C13 149.76(10) . .
O4 K1 C13 135.91(9) . .
C77 K1 C13 127.68(10) . .
O1 K1 K2 49.46(7) . .
O2 K1 K2 49.52(6) . .
N1 K1 K2 81.90(7) . .
C72 K1 K2 144.82(9) . .
O4 K1 K2 124.64(6) . .
C77 K1 K2 170.23(8) . .
C13 K1 K2 57.30(7) . .
O1 K1 C73 111.23(9) . .
O2 K1 C73 112.67(9) . .
N1 K1 C73 145.06(9) . .
C72 K1 C73 23.35(9) . .
O4 K1 C73 43.08(8) . .
C77 K1 C73 42.51(9) . .
C13 K1 C73 169.64(9) . .
K2 K1 C73 132.97(7) . .
O1 K1 K3 144.47(7) . .
O2 K1 K3 46.81(6) . .
N1 K1 K3 95.10(7) . .
C72 K1 K3 66.55(8) . .
O4 K1 K3 41.69(5) . .
C77 K1 K3 75.42(8) . .
C13 K1 K3 96.16(7) . .
K2 K1 K3 96.17(4) . .
C73 K1 K3 84.58(7) . .
O1 K1 K5 128.79(7) . .
O2 K1 K5 88.44(6) . .
N1 K1 K5 39.86(7) . .
C72 K1 K5 90.83(8) . .
O4 K1 K5 85.49(6) . .
C77 K1 K5 71.34(7) . .
C13 K1 K5 58.97(7) . .
K2 K1 K5 109.90(4) . .
C73 K1 K5 112.67(7) . .
K3 K1 K5 64.89(3) . .
O1 K2 O2 93.73(8) . .
O1 K2 O5 108.68(9) . .
O2 K2 O5 145.36(10) . .
O1 K2 C15 88.30(10) . .
O2 K2 C15 116.50(10) . .
O5 K2 C15 90.91(10) . .
O1 K2 C14 67.56(10) . .
O2 K2 C14 100.15(9) . .
O5 K2 C14 112.57(10) . .
C15 K2 C14 26.51(9) . .
O1 K2 C17 117.20(10) . .
O2 K2 C17 80.25(9) . .
O5 K2 C17 110.33(10) . .
C15 K2 C17 44.74(10) . .
C14 K2 C17 52.76(10) . .
O1 K2 C16 113.12(10) . .
O2 K2 C16 105.84(9) . .
O5 K2 C16 89.62(10) . .
C15 K2 C16 25.86(10) . .
C14 K2 C16 46.49(10) . .
C17 K2 C16 25.64(9) . .
O1 K2 C1 24.18(8) . .
O2 K2 C1 117.83(9) . .
O5 K2 C1 87.75(10) . .
C15 K2 C1 76.23(11) . .
C14 K2 C1 63.91(11) . .
C17 K2 C1 116.46(11) . .
C16 K2 C1 101.99(11) . .
O1 K2 C18 97.24(10) . .
O2 K2 C18 64.26(9) . .
O5 K2 C18 134.71(10) . .
C15 K2 C18 52.59(10) . .
C14 K2 C18 45.30(10) . .
C17 K2 C18 25.33(9) . .
C16 K2 C18 45.53(10) . .
C1 K2 C18 105.09(11) . .
O1 K2 C13 73.25(9) . .
O2 K2 C13 74.70(9) . .
O5 K2 C13 136.29(10) . .
C15 K2 C13 45.48(10) . .
C14 K2 C13 25.70(9) . .
C17 K2 C13 44.65(10) . .
C16 K2 C13 53.29(10) . .
C1 K2 C13 79.81(10) . .
C18 K2 C13 25.35(9) . .
O1 K2 C31 115.93(9) . .
O2 K2 C31 23.02(8) . .
O5 K2 C31 131.15(10) . .
C15 K2 C31 108.78(11) . .
C14 K2 C31 102.24(10) . .
C17 K2 C31 65.66(10) . .
C16 K2 C31 90.53(10) . .
C1 K2 C31 139.53(10) . .
C18 K2 C31 58.28(10) . .
C13 K2 C31 77.41(10) . .
O1 K2 K1 46.45(6) . .
O2 K2 K1 48.23(6) . .
O5 K2 K1 151.62(8) . .
C15 K2 K1 100.22(8) . .
C14 K2 K1 73.96(8) . .
C17 K2 K1 95.64(8) . .
C16 K2 K1 111.58(7) . .
C1 K2 K1 70.01(8) . .
C18 K2 K1 70.33(8) . .
C13 K2 K1 58.53(7) . .
C31 K2 K1 69.59(8) . .
O3 K3 O4 97.12(9) . .
O3 K3 N2 87.50(9) . .
O4 K3 N2 92.08(9) . .
O3 K3 O2 148.92(9) . .
O4 K3 O2 81.11(8) . .
N2 K3 O2 123.51(9) . .
O3 K3 C31 137.13(10) . .
O4 K3 C31 107.11(10) . .
N2 K3 C31 125.30(11) . .
O2 K3 C31 26.37(9) . .
O3 K3 C36 138.62(10) . .
O4 K3 C36 122.40(9) . .
N2 K3 C36 101.57(10) . .
O2 K3 C36 44.90(9) . .
C31 K3 C36 25.72(10) . .
O3 K3 C54 72.55(10) . .
O4 K3 C54 74.99(9) . .
N2 K3 C54 24.70(9) . .
O2 K3 C54 135.07(9) . .
C31 K3 C54 147.35(11) . .
C36 K3 C54 125.77(10) . .
O3 K3 K4 49.75(7) . .
O4 K3 K4 48.47(6) . .
N2 K3 K4 81.30(7) . .
O2 K3 K4 126.32(6) . .
C31 K3 K4 147.80(9) . .
C36 K3 K4 170.78(8) . .
C54 K3 K4 56.62(7) . .
O3 K3 K1 145.08(7) . .
O4 K3 K1 47.99(6) . .
N2 K3 K1 94.30(8) . .
O2 K3 K1 42.17(6) . .
C31 K3 K1 66.98(8) . .
C36 K3 K1 75.12(7) . .
C54 K3 K1 95.43(8) . .
K4 K3 K1 96.01(4) . .
O3 K3 K5 125.58(7) . .
O4 K3 K5 88.64(7) . .
N2 K3 K5 38.11(7) . .
O2 K3 K5 85.49(6) . .
C31 K3 K5 90.48(8) . .
C36 K3 K5 71.65(7) . .
C54 K3 K5 56.86(7) . .
K4 K3 K5 107.06(3) . .
K1 K3 K5 64.42(3) . .
O4 K4 O6 143.35(9) . .
O4 K4 O3 92.33(8) . .
O6 K4 O3 110.31(10) . .
O4 K4 C55 100.83(9) . .
O6 K4 C55 114.37(10) . .
O3 K4 C55 66.50(9) . .
O4 K4 C59 64.98(9) . .
O6 K4 C59 136.12(10) . .
O3 K4 C59 96.05(10) . .
C55 K4 C59 45.70(10) . .
O4 K4 C58 81.72(9) . .
O6 K4 C58 111.10(10) . .
O3 K4 C58 116.06(10) . .
C55 K4 C58 52.81(10) . .
C59 K4 C58 25.66(9) . .
O4 K4 C56 116.97(9) . .
O6 K4 C56 93.31(10) . .
O3 K4 C56 87.19(9) . .
C55 K4 C56 25.89(9) . .
C59 K4 C56 52.49(10) . .
C58 K4 C56 44.47(10) . .
O4 K4 C42 116.27(9) . .
O6 K4 C42 89.83(10) . .
O3 K4 C42 23.98(9) . .
C55 K4 C42 62.85(10) . .
C59 K4 C42 104.12(11) . .
C58 K4 C42 115.51(11) . .
C56 K4 C42 75.52(10) . .
O4 K4 C57 107.05(9) . .
O6 K4 C57 91.53(10) . .
O3 K4 C57 111.29(9) . .
C55 K4 C57 45.55(10) . .
C59 K4 C57 45.40(10) . .
C58 K4 C57 25.49(9) . .
C56 K4 C57 25.22(9) . .
C42 K4 C57 100.66(10) . .
O4 K4 C54 75.30(9) . .
O6 K4 C54 138.30(10) . .
O3 K4 C54 71.60(9) . .
C55 K4 C54 25.81(9) . .
C59 K4 C54 25.87(9) . .
C58 K4 C54 45.17(10) . .
C56 K4 C54 45.09(9) . .
C42 K4 C54 78.31(10) . .
C57 K4 C54 52.85(9) . .
O4 K4 C72 23.05(8) . .
O6 K4 C72 129.63(10) . .
O3 K4 C72 114.63(9) . .
C55 K4 C72 103.63(10) . .
C59 K4 C72 59.42(10) . .
C58 K4 C72 67.54(10) . .
C56 K4 C72 110.12(10) . .
C42 K4 C72 138.18(10) . .
C57 K4 C72 92.49(10) . .
C54 K4 C72 78.67(10) . .
O4 K4 C87 164.39(10) . .
O6 K4 C87 21.40(10) . .
O3 K4 C87 95.44(10) . .
C55 K4 C87 94.69(11) . .
C59 K4 C87 127.30(11) . .
C58 K4 C87 106.75(11) . .
C56 K4 C87 77.01(11) . .
C42 K4 C87 72.53(11) . .
C57 K4 C87 82.68(11) . .
C54 K4 C87 120.04(10) . .
C72 K4 C87 149.05(11) . .
O7 K5 O8 115.43(10) . .
O7 K5 N2 128.18(10) . .
O8 K5 N2 85.49(10) . .
O7 K5 N1 88.62(9) . .
O8 K5 N1 130.33(10) . .
N2 K5 N1 113.98(9) . .
O7 K5 C64 105.83(10) . .
O8 K5 C64 83.66(11) . .
N2 K5 C64 25.88(9) . .
N1 K5 C64 133.08(10) . .
O7 K5 C24 104.48(10) . .
O8 K5 C24 85.81(10) . .
N2 K5 C24 124.84(10) . .
N1 K5 C24 45.07(9) . .
C64 K5 C24 149.57(11) . .
O7 K5 C65 82.82(10) . .
O8 K5 C65 103.81(11) . .
N2 K5 C65 45.46(9) . .
N1 K5 C65 122.71(10) . .
C64 K5 C65 25.66(9) . .
C24 K5 C65 164.30(11) . .
O7 K5 C23 86.35(10) . .
O8 K5 C23 109.52(11) . .
N2 K5 C23 132.90(10) . .
N1 K5 C23 25.04(9) . .
C64 K5 C23 156.58(10) . .
C24 K5 C23 25.20(9) . .
C65 K5 C23 146.45(10) . .
O7 K5 C71 171.88(10) . .
O8 K5 C71 72.11(10) . .
N2 K5 C71 53.29(9) . .
N1 K5 C71 83.88(9) . .
C64 K5 C71 77.36(9) . .
C24 K5 C71 72.24(10) . .
C65 K5 C71 98.60(10) . .
C23 K5 C71 88.16(9) . .
O7 K5 C30 75.82(10) . .
O8 K5 C30 167.60(10) . .
N2 K5 C30 83.14(9) . .
N1 K5 C30 51.71(9) . .
C64 K5 C30 88.23(10) . .
C24 K5 C30 96.64(10) . .
C65 K5 C30 71.36(10) . .
C23 K5 C30 75.22(10) . .
C71 K5 C30 97.00(9) . .
O7 K5 K1 121.58(8) . .
O8 K5 K1 117.21(7) . .
N2 K5 K1 79.57(7) . .
N1 K5 K1 36.93(6) . .
C64 K5 K1 103.34(8) . .
C24 K5 K1 57.25(8) . .
C65 K5 K1 107.06(8) . .
C23 K5 K1 53.62(7) . .
C71 K5 K1 50.33(7) . .
C30 K5 K1 55.71(7) . .
O7 K5 K3 120.50(8) . .
O8 K5 K3 116.06(8) . .
N2 K5 K3 35.50(6) . .
N1 K5 K3 79.98(6) . .
C64 K5 K3 54.00(7) . .
C24 K5 K3 106.97(8) . .
C65 K5 K3 57.75(8) . .
C23 K5 K3 102.60(7) . .
C71 K5 K3 55.09(7) . .
C30 K5 K3 51.59(7) . .
K1 K5 K3 50.69(2) . .
O10 K6 O11A 68.6(9) . .
O10 K6 O9 140.58(12) . .
O11A K6 O9 72.9(9) . .
O10 K6 O11B 72.7(7) . .
O11A K6 O11B 4.1(17) . .
O9 K6 O11B 68.7(8) . .
O10 K6 C46 82.48(11) . .
O11A K6 C46 91.9(7) . .
O9 K6 C46 107.25(12) . .
O11B K6 C46 93.0(5) . .
O10 K6 C5 96.14(11) . 1_445
O11A K6 C5 102.3(6) . 1_445
O9 K6 C5 83.84(12) . 1_445
O11B K6 C5 101.6(5) . 1_445
C46 K6 C5 164.20(11) . 1_445
O10 K6 C45 79.89(10) . .
O11A K6 C45 114.2(8) . .
O9 K6 C45 124.81(12) . .
O11B K6 C45 116.1(6) . .
C46 K6 C45 25.85(10) . .
C5 K6 C45 138.37(11) 1_445 .
O10 K6 C4 114.19(11) . 1_445
O11A K6 C4 124.6(7) . 1_445
O9 K6 C4 81.26(12) . 1_445
O11B K6 C4 123.0(6) . 1_445
C46 K6 C4 142.95(11) . 1_445
C5 K6 C4 25.49(10) 1_445 1_445
C45 K6 C4 120.82(11) . 1_445
O10 K6 C47 103.93(10) . .
O11A K6 C47 90.6(5) . .
O9 K6 C47 84.32(11) . .
O11B K6 C47 90.0(4) . .
C46 K6 C47 23.63(9) . .
C5 K6 C47 159.10(10) 1_445 .
C45 K6 C47 43.06(10) . .
C4 K6 C47 134.93(10) 1_445 .
O10 K6 C44 100.14(10) . .
O11A K6 C44 133.7(7) . .
O9 K6 C44 112.53(11) . .
O11B K6 C44 134.5(5) . .
C46 K6 C44 41.82(10) . .
C5 K6 C44 123.89(11) 1_445 .
C45 K6 C44 23.52(9) . .
C4 K6 C44 101.27(11) 1_445 .
C47 K6 C44 47.06(9) . .
C1 O1 K1 164.7(3) . .
C1 O1 K2 98.7(2) . .
K1 O1 K2 84.09(8) . .
C23 N1 C13 120.6(3) . .
C23 N1 K1 121.0(2) . .
C13 N1 K1 97.9(2) . .
C23 N1 K5 86.3(2) . .
C13 N1 K5 128.9(2) . .
K1 N1 K5 103.21(10) . .
C31 O2 K1 154.6(2) . .
C31 O2 K2 104.3(2) . .
K1 O2 K2 82.25(8) . .
C31 O2 K3 79.50(19) . .
K1 O2 K3 91.02(8) . .
K2 O2 K3 171.17(11) . .
C42 O3 K3 165.6(2) . .
C42 O3 K4 98.2(2) . .
K3 O3 K4 84.29(8) . .
C64 N2 C54 119.1(3) . .
C64 N2 K3 125.1(2) . .
C54 N2 K3 98.7(2) . .
C64 N2 K5 83.9(2) . .
C54 N2 K5 125.2(2) . .
K3 N2 K5 106.40(10) . .
C72 O4 K3 154.1(2) . .
C72 O4 K4 105.0(2) . .
K3 O4 K4 84.16(8) . .
C72 O4 K1 76.23(19) . .
K3 O4 K1 90.31(8) . .
K4 O4 K1 168.90(11) . .
O1 C1 C6 119.6(3) . .
O1 C1 C2 123.2(4) . .
C6 C1 C2 117.2(3) . .
O1 C1 K2 57.08(19) . .
C6 C1 K2 96.8(2) . .
C2 C1 K2 115.7(3) . .
C3 C2 C1 118.0(4) . .
C3 C2 C7 122.4(4) . .
C1 C2 C7 119.6(3) . .
C4 C3 C2 124.7(4) . .
C4 C3 H73 117.7 . .
C2 C3 H73 117.7 . .
C3 C4 C5 116.9(4) . .
C3 C4 C11 121.4(4) . .
C5 C4 C11 121.6(4) . .
C3 C4 K6 96.5(3) . 1_665
C5 C4 K6 75.8(2) . 1_665
C11 C4 K6 100.1(3) . 1_665
C6 C5 C4 122.0(4) . .
C6 C5 K6 99.0(2) . 1_665
C4 C5 K6 78.7(2) . 1_665
C6 C5 H74 119.0 . .
C4 C5 H74 119.0 . .
K6 C5 H74 92.3 1_665 .
C5 C6 C1 120.7(4) . .
C5 C6 C12 122.2(4) . .
C1 C6 C12 117.1(3) . .
C2 C7 C8 110.0(3) . .
C2 C7 C10 112.5(3) . .
C8 C7 C10 106.8(4) . .
C2 C7 C9 110.3(3) . .
C8 C7 C9 110.0(3) . .
C10 C7 C9 107.1(4) . .
C7 C8 H1 109.5 . .
C7 C8 H2 109.5 . .
H1 C8 H2 109.5 . .
C7 C8 H3 109.5 . .
H1 C8 H3 109.5 . .
H2 C8 H3 109.5 . .
C7 C9 H4 109.5 . .
C7 C9 H5 109.5 . .
H4 C9 H5 109.5 . .
C7 C9 H6 109.5 . .
H4 C9 H6 109.5 . .
H5 C9 H6 109.5 . .
C7 C10 H7 109.5 . .
C7 C10 H8 109.5 . .
H7 C10 H8 109.5 . .
C7 C10 H9 109.5 . .
H7 C10 H9 109.5 . .
H8 C10 H9 109.5 . .
C4 C11 H10 109.5 . .
C4 C11 H11 109.5 . .
H10 C11 H11 109.5 . .
C4 C11 H12 109.5 . .
H10 C11 H12 109.5 . .
H11 C11 H12 109.5 . .
C6 C12 C14 115.7(3) . .
C6 C12 H89 108.3 . .
C14 C12 H89 108.3 . .
C6 C12 H90 108.3 . .
C14 C12 H90 108.3 . .
H89 C12 H90 107.4 . .
N1 C13 C18 118.7(3) . .
N1 C13 C14 125.3(3) . .
C18 C13 C14 115.7(3) . .
N1 C13 K2 121.6(2) . .
C18 C13 K2 73.4(2) . .
C14 C13 K2 69.3(2) . .
N1 C13 K1 57.47(18) . .
C18 C13 K1 101.2(2) . .
C14 C13 K1 106.7(2) . .
K2 C13 K1 64.17(7) . .
C15 C14 C13 120.1(3) . .
C15 C14 C12 117.7(3) . .
C13 C14 C12 122.1(3) . .
C15 C14 K2 75.5(2) . .
C13 C14 K2 85.0(2) . .
C12 C14 K2 106.0(2) . .
C16 C15 C14 123.3(4) . .
C16 C15 K2 81.4(2) . .
C14 C15 K2 78.0(2) . .
C16 C15 H91 118.3 . .
C14 C15 H91 118.3 . .
K2 C15 H91 112.0 . .
C15 C16 C17 115.3(4) . .
C15 C16 C19 124.6(3) . .
C17 C16 C19 120.1(4) . .
C15 C16 K2 72.7(2) . .
C17 C16 K2 76.5(2) . .
C19 C16 K2 117.8(2) . .
C18 C17 C16 123.5(4) . .
C18 C17 K2 79.0(2) . .
C16 C17 K2 77.8(2) . .
C18 C17 H92 118.2 . .
C16 C17 H92 118.2 . .
K2 C17 H92 115.1 . .
C17 C18 C13 120.8(3) . .
C17 C18 C30 118.9(3) . .
C13 C18 C30 120.3(3) . .
C17 C18 K2 75.7(2) . .
C13 C18 K2 81.2(2) . .
C30 C18 K2 112.3(2) . .
C20 C19 C22 108.9(4) . .
C20 C19 C16 111.8(3) . .
C22 C19 C16 110.3(3) . .
C20 C19 C21 107.9(3) . .
C22 C19 C21 108.6(3) . .
C16 C19 C21 109.2(3) . .
C19 C20 H13 109.5 . .
C19 C20 H14 109.5 . .
H13 C20 H14 109.5 . .
C19 C20 H15 109.5 . .
H13 C20 H15 109.5 . .
H14 C20 H15 109.5 . .
C19 C21 H16 109.5 . .
C19 C21 H17 109.5 . .
H16 C21 H17 109.5 . .
C19 C21 H18 109.5 . .
H16 C21 H18 109.5 . .
H17 C21 H18 109.5 . .
C19 C22 H19 109.5 . .
C19 C22 H20 109.5 . .
H19 C22 H20 109.5 . .
C19 C22 H21 109.5 . .
H19 C22 H21 109.5 . .
H20 C22 H21 109.5 . .
N1 C23 C24 119.4(4) . .
N1 C23 C28 125.7(4) . .
C24 C23 C28 114.8(4) . .
N1 C23 K5 68.6(2) . .
C24 C23 K5 77.2(2) . .
C28 C23 K5 122.2(2) . .
C25 C24 C23 122.4(4) . .
C25 C24 K5 123.1(3) . .
C23 C24 K5 77.6(2) . .
C25 C24 H75 118.8 . .
C23 C24 H75 118.8 . .
K5 C24 H75 69.8 . .
C26 C25 C24 122.3(4) . .
C26 C25 H76 118.8 . .
C24 C25 H76 118.8 . .
C25 C26 C27 116.4(4) . .
C25 C26 C29 122.9(4) . .
C27 C26 C29 120.7(4) . .
C28 C27 C26 122.2(4) . .
C28 C27 H77 118.9 . .
C26 C27 H77 118.9 . .
C27 C28 C23 121.8(4) . .
C27 C28 H78 119.1 . .
C23 C28 H78 119.1 . .
C26 C29 H22 109.5 . .
C26 C29 H23 109.5 . .
H22 C29 H23 109.5 . .
C26 C29 H24 109.5 . .
H22 C29 H24 109.5 . .
H23 C29 H24 109.5 . .
C36 C30 C18 110.9(3) . .
C36 C30 K5 139.2(2) . .
C18 C30 K5 108.0(2) . .
C36 C30 H93 109.5 . .
C18 C30 H93 109.5 . .
K5 C30 H93 44.3 . .
C36 C30 H94 109.5 . .
C18 C30 H94 109.5 . .
K5 C30 H94 67.1 . .
H93 C30 H94 108.0 . .
O2 C31 C36 119.8(3) . .
O2 C31 C32 122.3(4) . .
C36 C31 C32 117.9(4) . .
O2 C31 K3 74.13(19) . .
C36 C31 K3 90.8(2) . .
C32 C31 K3 103.9(2) . .
O2 C31 K2 52.70(17) . .
C36 C31 K2 107.7(2) . .
C32 C31 K2 110.0(2) . .
K3 C31 K2 126.28(14) . .
C33 C32 C31 117.6(4) . .
C33 C32 C37 121.1(4) . .
C31 C32 C37 121.3(4) . .
C34 C33 C32 124.1(4) . .
C34 C33 H95 117.9 . .
C32 C33 H95 117.9 . .
C35 C34 C33 117.3(4) . .
C35 C34 C41 120.9(4) . .
C33 C34 C41 121.8(4) . .
C34 C35 C36 122.0(4) . .
C34 C35 H96 119.0 . .
C36 C35 H96 119.0 . .
C35 C36 C31 121.0(4) . .
C35 C36 C30 120.7(4) . .
C31 C36 C30 117.9(3) . .
C35 C36 K3 119.1(3) . .
C31 C36 K3 63.5(2) . .
C30 C36 K3 92.1(2) . .
C39 C37 C40 108.0(4) . .
C39 C37 C32 113.2(4) . .
C40 C37 C32 111.2(3) . .
C39 C37 C38 106.4(4) . .
C40 C37 C38 108.6(4) . .
C32 C37 C38 109.2(3) . .
C37 C38 H25 109.5 . .
C37 C38 H26 109.5 . .
H25 C38 H26 109.5 . .
C37 C38 H27 109.5 . .
H25 C38 H27 109.5 . .
H26 C38 H27 109.5 . .
C37 C39 H28 109.5 . .
C37 C39 H29 109.5 . .
H28 C39 H29 109.5 . .
C37 C39 H30 109.5 . .
H28 C39 H30 109.5 . .
H29 C39 H30 109.5 . .
C37 C40 H31 109.5 . .
C37 C40 H32 109.5 . .
H31 C40 H32 109.5 . .
C37 C40 H33 109.5 . .
H31 C40 H33 109.5 . .
H32 C40 H33 109.5 . .
C34 C41 H34 109.5 . .
C34 C41 H35 109.5 . .
H34 C41 H35 109.5 . .
C34 C41 H36 109.5 . .
H34 C41 H36 109.5 . .
H35 C41 H36 109.5 . .
O3 C42 C47 119.9(3) . .
O3 C42 C43 123.2(4) . .
C47 C42 C43 117.0(3) . .
O3 C42 K4 57.84(19) . .
C47 C42 K4 98.1(2) . .
C43 C42 K4 114.3(3) . .
C44 C43 C42 118.8(4) . .
C44 C43 C48 121.5(4) . .
C42 C43 C48 119.7(4) . .
C45 C44 C43 124.2(4) . .
C45 C44 K6 64.8(2) . .
C43 C44 K6 94.4(2) . .
C45 C44 H79 117.9 . .
C43 C44 H79 117.9 . .
K6 C44 H79 111.9 . .
C44 C45 C46 116.8(4) . .
C44 C45 C52 121.1(4) . .
C46 C45 C52 122.1(4) . .
C44 C45 K6 91.7(3) . .
C46 C45 K6 75.5(2) . .
C52 C45 K6 103.7(3) . .
C47 C46 C45 122.4(4) . .
C47 C46 K6 92.9(2) . .
C45 C46 K6 78.6(2) . .
C47 C46 H80 118.8 . .
C45 C46 H80 118.8 . .
K6 C46 H80 98.8 . .
C46 C47 C42 120.5(4) . .
C46 C47 C53 121.8(4) . .
C42 C47 C53 117.8(3) . .
C46 C47 K6 63.5(2) . .
C42 C47 K6 96.6(2) . .
C53 C47 K6 109.6(2) . .
C50 C48 C43 110.3(4) . .
C50 C48 C51 106.9(4) . .
C43 C48 C51 112.5(4) . .
C50 C48 C49 109.3(4) . .
C43 C48 C49 110.2(3) . .
C51 C48 C49 107.5(4) . .
C48 C49 H37 109.5 . .
C48 C49 H38 109.5 . .
H37 C49 H38 109.5 . .
C48 C49 H39 109.5 . .
H37 C49 H39 109.5 . .
H38 C49 H39 109.5 . .
C48 C50 H40 109.5 . .
C48 C50 H41 109.5 . .
H40 C50 H41 109.5 . .
C48 C50 H42 109.5 . .
H40 C50 H42 109.5 . .
H41 C50 H42 109.5 . .
C48 C51 H43 109.5 . .
C48 C51 H44 109.5 . .
H43 C51 H44 109.5 . .
C48 C51 H45 109.5 . .
H43 C51 H45 109.5 . .
H44 C51 H45 109.5 . .
C45 C52 H46 109.5 . .
C45 C52 H47 109.5 . .
H46 C52 H47 109.5 . .
C45 C52 H48 109.5 . .
H46 C52 H48 109.5 . .
H47 C52 H48 109.5 . .
C47 C53 C55 114.6(3) . .
C47 C53 H97 108.6 . .
C55 C53 H97 108.6 . .
C47 C53 H98 108.6 . .
C55 C53 H98 108.6 . .
H97 C53 H98 107.6 . .
N2 C54 C55 125.3(3) . .
N2 C54 C59 118.6(3) . .
C55 C54 C59 115.9(3) . .
N2 C54 K4 122.0(2) . .
C55 C54 K4 71.8(2) . .
C59 C54 K4 72.3(2) . .
N2 C54 K3 56.65(18) . .
C55 C54 K3 109.8(2) . .
C59 C54 K3 100.7(2) . .
K4 C54 K3 65.43(7) . .
C56 C55 C54 120.2(3) . .
C56 C55 C53 118.9(3) . .
C54 C55 C53 120.9(3) . .
C56 C55 K4 78.0(2) . .
C54 C55 K4 82.4(2) . .
C53 C55 K4 107.4(2) . .
C57 C56 C55 123.3(3) . .
C57 C56 K4 81.3(2) . .
C55 C56 K4 76.1(2) . .
C57 C56 H81 118.3 . .
C55 C56 H81 118.3 . .
K4 C56 H81 114.4 . .
C56 C57 C58 115.7(3) . .
C56 C57 C60 124.4(3) . .
C58 C57 C60 120.0(3) . .
C56 C57 K4 73.5(2) . .
C58 C57 K4 73.1(2) . .
C60 C57 K4 122.3(2) . .
C59 C58 C57 122.9(4) . .
C59 C58 K4 77.1(2) . .
C57 C58 K4 81.4(2) . .
C59 C58 H82 118.6 . .
C57 C58 H82 118.6 . .
K4 C58 H82 113.0 . .
C58 C59 C54 120.7(3) . .
C58 C59 C71 118.8(3) . .
C54 C59 C71 120.5(3) . .
C58 C59 K4 77.3(2) . .
C54 C59 K4 81.8(2) . .
C71 C59 K4 112.1(2) . .
C63 C60 C61 108.8(3) . .
C63 C60 C57 112.2(3) . .
C61 C60 C57 109.8(3) . .
C63 C60 C62 107.7(3) . .
C61 C60 C62 109.2(3) . .
C57 C60 C62 109.1(3) . .
C60 C61 H49 109.5 . .
C60 C61 H50 109.5 . .
H49 C61 H50 109.5 . .
C60 C61 H51 109.5 . .
H49 C61 H51 109.5 . .
H50 C61 H51 109.5 . .
C60 C62 H52 109.5 . .
C60 C62 H53 109.5 . .
H52 C62 H53 109.5 . .
C60 C62 H54 109.5 . .
H52 C62 H54 109.5 . .
H53 C62 H54 109.5 . .
C60 C63 H55 109.5 . .
C60 C63 H56 109.5 . .
H55 C63 H56 109.5 . .
C60 C63 H57 109.5 . .
H55 C63 H57 109.5 . .
H56 C63 H57 109.5 . .
N2 C64 C65 119.2(3) . .
N2 C64 C69 126.2(3) . .
C65 C64 C69 114.3(4) . .
N2 C64 K5 70.2(2) . .
C65 C64 K5 81.3(2) . .
C69 C64 K5 114.1(2) . .
C66 C65 C64 122.6(4) . .
C66 C65 K5 116.7(3) . .
C64 C65 K5 73.0(2) . .
C66 C65 H83 118.7 . .
C64 C65 H83 118.7 . .
K5 C65 H83 80.5 . .
C67 C66 C65 122.1(4) . .
C67 C66 H84 118.9 . .
C65 C66 H84 118.9 . .
C66 C67 C68 116.4(4) . .
C66 C67 C70 121.7(4) . .
C68 C67 C70 121.9(4) . .
C69 C68 C67 122.1(4) . .
C69 C68 H85 118.9 . .
C67 C68 H85 118.9 . .
C68 C69 C64 122.4(4) . .
C68 C69 H86 118.8 . .
C64 C69 H86 118.8 . .
C67 C70 H58 109.5 . .
C67 C70 H59 109.5 . .
H58 C70 H59 109.5 . .
C67 C70 H60 109.5 . .
H58 C70 H60 109.5 . .
H59 C70 H60 109.5 . .
C77 C71 C59 112.8(3) . .
C77 C71 K5 140.4(2) . .
C59 C71 K5 105.8(2) . .
C77 C71 H99 109.0 . .
C59 C71 H99 109.0 . .
K5 C71 H99 47.0 . .
C77 C71 H100 109.0 . .
C59 C71 H100 109.0 . .
K5 C71 H100 64.7 . .
H99 C71 H100 107.8 . .
O4 C72 C73 123.7(3) . .
O4 C72 C77 118.8(3) . .
C73 C72 C77 117.4(4) . .
O4 C72 K1 77.5(2) . .
C73 C72 K1 102.9(2) . .
C77 C72 K1 86.8(2) . .
O4 C72 K4 51.97(17) . .
C73 C72 K4 112.8(2) . .
C77 C72 K4 106.8(2) . .
K1 C72 K4 128.39(13) . .
C74 C73 C72 118.6(4) . .
C74 C73 C78 120.7(4) . .
C72 C73 C78 120.7(3) . .
C74 C73 K1 109.1(3) . .
C72 C73 K1 53.77(19) . .
C78 C73 K1 103.5(2) . .
C73 C74 C75 124.1(4) . .
C73 C74 H87 118.0 . .
C75 C74 H87 118.0 . .
C76 C75 C74 116.9(4) . .
C76 C75 C82 121.9(4) . .
C74 C75 C82 121.2(4) . .
C75 C76 C77 122.0(4) . .
C75 C76 H88 119.0 . .
C77 C76 H88 119.0 . .
C76 C77 C72 121.0(4) . .
C76 C77 C71 121.1(3) . .
C72 C77 C71 117.8(3) . .
C76 C77 K1 112.6(2) . .
C72 C77 K1 66.4(2) . .
C71 C77 K1 92.1(2) . .
C81 C78 C80 107.8(3) . .
C81 C78 C79 108.8(3) . .
C80 C78 C79 108.1(3) . .
C81 C78 C73 112.0(3) . .
C80 C78 C73 111.4(3) . .
C79 C78 C73 108.6(3) . .
C78 C79 H61 109.5 . .
C78 C79 H62 109.5 . .
H61 C79 H62 109.5 . .
C78 C79 H63 109.5 . .
H61 C79 H63 109.5 . .
H62 C79 H63 109.5 . .
C78 C80 H64 109.5 . .
C78 C80 H65 109.5 . .
H64 C80 H65 109.5 . .
C78 C80 H66 109.5 . .
H64 C80 H66 109.5 . .
H65 C80 H66 109.5 . .
C78 C81 H67 109.5 . .
C78 C81 H68 109.5 . .
H67 C81 H68 109.5 . .
C78 C81 H69 109.5 . .
H67 C81 H69 109.5 . .
H68 C81 H69 109.5 . .
C75 C82 H70 109.5 . .
C75 C82 H71 109.5 . .
H70 C82 H71 109.5 . .
C75 C82 H72 109.5 . .
H70 C82 H72 109.5 . .
H71 C82 H72 109.5 . .
C83 O5 C86 105.9(3) . .
C83 O5 K2 130.2(3) . .
C86 O5 K2 123.7(3) . .
O5 C83 C84 106.1(4) . .
O5 C83 H101 110.5 . .
C84 C83 H101 110.5 . .
O5 C83 H102 110.5 . .
C84 C83 H102 110.5 . .
H101 C83 H102 108.7 . .
C83 C84 C85 105.0(4) . .
C83 C84 H103 110.8 . .
C85 C84 H103 110.8 . .
C83 C84 H104 110.8 . .
C85 C84 H104 110.8 . .
H103 C84 H104 108.8 . .
C86 C85 C84 103.4(4) . .
C86 C85 H105 111.1 . .
C84 C85 H105 111.1 . .
C86 C85 H106 111.1 . .
C84 C85 H106 111.1 . .
H105 C85 H106 109.0 . .
O5 C86 C85 105.6(4) . .
O5 C86 H107 110.6 . .
C85 C86 H107 110.6 . .
O5 C86 H108 110.6 . .
C85 C86 H108 110.6 . .
H107 C86 H108 108.8 . .
C90 O6 C87 108.4(3) . .
C90 O6 K4 134.0(3) . .
C87 O6 K4 115.8(3) . .
O6 C87 C88 105.9(4) . .
O6 C87 K4 42.82(19) . .
C88 C87 K4 135.1(3) . .
O6 C87 H109 110.6 . .
C88 C87 H109 110.6 . .
K4 C87 H109 70.4 . .
O6 C87 H110 110.6 . .
C88 C87 H110 110.6 . .
K4 C87 H110 111.1 . .
H109 C87 H110 108.7 . .
C89 C88 C87 104.5(4) . .
C89 C88 H111 110.8 . .
C87 C88 H111 110.9 . .
C89 C88 H112 110.8 . .
C87 C88 H112 110.8 . .
H111 C88 H112 108.9 . .
C90 C89 C88 106.6(4) . .
C90 C89 H113 110.4 . .
C88 C89 H113 110.4 . .
C90 C89 H114 110.4 . .
C88 C89 H114 110.4 . .
H113 C89 H114 108.6 . .
O6 C90 C89 108.2(4) . .
O6 C90 H115 110.0 . .
C89 C90 H115 110.0 . .
O6 C90 H116 110.0 . .
C89 C90 H116 110.0 . .
H115 C90 H116 108.4 . .
C94 O7 C91 105.1(3) . .
C94 O7 K5 119.3(2) . .
C91 O7 K5 132.5(3) . .
O7 C91 C92 103.9(4) . .
O7 C91 H117 111.0 . .
C92 C91 H117 111.0 . .
O7 C91 H118 111.0 . .
C92 C91 H118 111.0 . .
H117 C91 H118 109.0 . .
C91 C92 C93 103.6(4) . .
C91 C92 H119 111.0 . .
C93 C92 H119 111.0 . .
C91 C92 H120 111.0 . .
C93 C92 H120 111.0 . .
H119 C92 H120 109.0 . .
C94 C93 C92 103.8(4) . .
C94 C93 H121 111.0 . .
C92 C93 H121 111.0 . .
C94 C93 H122 111.0 . .
C92 C93 H122 111.0 . .
H121 C93 H122 109.0 . .
O7 C94 C93 106.8(4) . .
O7 C94 H123 110.4 . .
C93 C94 H123 110.4 . .
O7 C94 H124 110.4 . .
C93 C94 H124 110.4 . .
H123 C94 H124 108.6 . .
C95 O8 C98 106.8(3) . .
C95 O8 K5 122.1(3) . .
C98 O8 K5 128.0(3) . .
O8 C95 C96B 104.1(6) . .
O8 C95 C96A 106.8(5) . .
C96B C95 C96A 33.9(6) . .
O8 C95 H125 110.4 . .
C96B C95 H125 137.7 . .
C96A C95 H125 110.4 . .
O8 C95 H126 110.4 . .
C96B C95 H126 80.4 . .
C96A C95 H126 110.4 . .
H125 C95 H126 108.6 . .
O8 C95 H127 110.9 . .
C96B C95 H127 110.9 . .
C96A C95 H127 78.9 . .
H125 C95 H127 33.3 . .
H126 C95 H127 132.4 . .
O8 C95 H128 110.9 . .
C96B C95 H128 110.9 . .
C96A C95 H128 134.7 . .
H125 C95 H128 78.9 . .
H126 C95 H128 32.2 . .
H127 C95 H128 109.0 . .
C95 C96B C97 103.8(9) . .
C95 C96B H129 111.0 . .
C97 C96B H129 111.0 . .
C95 C96B H130 111.0 . .
C97 C96B H130 111.0 . .
H129 C96B H130 109.0 . .
C97 C96A C95 99.3(7) . .
C97 C96A H131 111.9 . .
C95 C96A H131 111.9 . .
C97 C96A H132 111.9 . .
C95 C96A H132 111.9 . .
H131 C96A H132 109.6 . .
C98 C97 C96A 99.4(5) . .
C98 C97 C96B 104.6(6) . .
C96A C97 C96B 34.5(6) . .
C98 C97 H133 111.9 . .
C96A C97 H133 111.9 . .
C96B C97 H133 78.6 . .
C98 C97 H134 111.9 . .
C96A C97 H134 111.9 . .
C96B C97 H134 135.0 . .
H133 C97 H134 109.6 . .
C98 C97 H135 110.8 . .
C96A C97 H135 140.6 . .
C96B C97 H135 110.8 . .
H133 C97 H135 33.5 . .
H134 C97 H135 80.1 . .
C98 C97 H136 110.8 . .
C96A C97 H136 81.7 . .
C96B C97 H136 110.8 . .
H133 C97 H136 131.8 . .
H134 C97 H136 31.3 . .
H135 C97 H136 108.9 . .
O8 C98 C97 105.3(4) . .
O8 C98 H137 110.7 . .
C97 C98 H137 110.7 . .
O8 C98 H138 110.7 . .
C97 C98 H138 110.7 . .
H137 C98 H138 108.8 . .
C99 O9 C102 105.0(5) . .
C99 O9 K6 116.0(3) . .
C102 O9 K6 138.6(4) . .
O9 C99 C100 107.0(5) . .
O9 C99 H139 110.3 . .
C100 C99 H139 110.3 . .
O9 C99 H140 110.3 . .
C100 C99 H140 110.3 . .
H139 C99 H140 108.6 . .
C99 C100 C101 105.6(6) . .
C99 C100 H141 110.6 . .
C101 C100 H141 110.6 . .
C99 C100 H142 110.6 . .
C101 C100 H142 110.6 . .
H141 C100 H142 108.8 . .
C100 C101 C102 105.4(6) . .
C100 C101 H143 110.7 . .
C102 C101 H143 110.7 . .
C100 C101 H144 110.7 . .
C102 C101 H144 110.7 . .
H143 C101 H144 108.8 . .
O9 C102 C101 106.6(5) . .
O9 C102 H145 110.4 . .
C101 C102 H145 110.4 . .
O9 C102 H146 110.4 . .
C101 C102 H146 110.4 . .
H145 C102 H146 108.6 . .
C106 O10 C103 105.9(4) . .
C106 O10 K6 130.7(3) . .
C103 O10 K6 123.4(3) . .
O10 C103 C104 108.6(5) . .
O10 C103 H147 110.0 . .
C104 C103 H147 110.0 . .
O10 C103 H148 110.0 . .
C104 C103 H148 110.0 . .
H147 C103 H148 108.4 . .
C103 C104 C105 105.9(5) . .
C103 C104 H149 110.6 . .
C105 C104 H149 110.6 . .
C103 C104 H150 110.6 . .
C105 C104 H150 110.6 . .
H149 C104 H150 108.7 . .
C106 C105 C104 102.6(5) . .
C106 C105 H151 111.2 . .
C104 C105 H151 111.2 . .
C106 C105 H152 111.2 . .
C104 C105 H152 111.2 . .
H151 C105 H152 109.2 . .
O10 C106 C105 105.4(4) . .
O10 C106 H153 110.7 . .
C105 C106 H153 110.7 . .
O10 C106 H154 110.7 . .
C105 C106 H154 110.7 . .
H153 C106 H154 108.8 . .
C107 O11A C110 108.7(11) . .
C107 O11A K6 134.4(15) . .
C110 O11A K6 115.7(14) . .
O11A C107 C108 106.7(11) . .
O11A C107 H155 110.4 . .
C108 C107 H155 110.4 . .
O11A C107 H156 110.4 . .
C108 C107 H156 110.4 . .
H155 C107 H156 108.6 . .
C107 C108 C109 101.6(12) . .
C107 C108 H157 111.5 . .
C109 C108 H157 111.5 . .
C107 C108 H158 111.5 . .
C109 C108 H158 111.5 . .
H157 C108 H158 109.3 . .
C110 C109 C108 95.0(12) . .
C110 C109 H159 112.7 . .
C108 C109 H159 112.7 . .
C110 C109 H160 112.7 . .
C108 C109 H160 112.7 . .
H159 C109 H160 110.2 . .
O11A C110 C109 105.4(12) . .
O11A C110 H161 110.7 . .
C109 C110 H161 110.7 . .
O11A C110 H162 110.7 . .
C109 C110 H162 110.7 . .
H161 C110 H162 108.8 . .
C111 O11B C114 107.7(10) . .
C111 O11B K6 134.7(13) . .
C114 O11B K6 112.8(11) . .
O11B C111 C112 107.6(10) . .
O11B C111 H163 110.2 . .
C112 C111 H163 110.2 . .
O11B C111 H164 110.2 . .
C112 C111 H164 110.2 . .
H163 C111 H164 108.5 . .
C111 C112 C113 105.5(10) . .
C111 C112 H165 110.6 . .
C113 C112 H165 110.6 . .
C111 C112 H166 110.6 . .
C113 C112 H166 110.6 . .
H165 C112 H166 108.8 . .
C112 C113 C114 95.2(11) . .
C112 C113 H167 112.7 . .
C114 C113 H167 112.7 . .
C112 C113 H168 112.7 . .
C114 C113 H168 112.7 . .
H167 C113 H168 110.2 . .
O11B C114 C113 104.7(12) . .
O11B C114 H169 110.8 . .
C113 C114 H169 110.8 . .
O11B C114 H170 110.8 . .
C113 C114 H170 110.8 . .
H169 C114 H170 108.9 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
K1 O1 2.555(3) .
K1 O2 2.639(3) .
K1 N1 2.828(3) .
K1 C72 2.905(4) .
K1 O4 2.921(3) .
K1 C77 3.167(4) .
K1 C13 3.322(4) .
K1 K2 3.5061(15) .
K1 C73 3.511(4) .
K1 K3 3.9307(16) .
K1 K5 4.5820(17) .
K2 O1 2.679(3) .
K2 O2 2.691(3) .
K2 O5 2.697(3) .
K2 C15 3.045(4) .
K2 C14 3.078(4) .
K2 C17 3.138(4) .
K2 C16 3.154(4) .
K2 C1 3.154(4) .
K2 C18 3.179(4) .
K2 C13 3.278(4) .
K2 C31 3.279(4) .
K3 O3 2.554(3) .
K3 O4 2.614(3) .
K3 N2 2.784(3) .
K3 O2 2.866(3) .
K3 C31 2.930(4) .
K3 C36 3.275(4) .
K3 C54 3.295(4) .
K3 K4 3.5351(15) .
K3 K5 4.5996(19) .
K4 O4 2.660(3) .
K4 O6 2.668(3) .
K4 O3 2.711(3) .
K4 C55 3.111(4) .
K4 C59 3.124(4) .
K4 C58 3.127(4) .
K4 C56 3.135(4) .
K4 C42 3.170(4) .
K4 C57 3.231(4) .
K4 C54 3.246(4) .
K4 C72 3.262(4) .
K4 C87 3.534(5) .
K5 O7 2.707(3) .
K5 O8 2.780(3) .
K5 N2 2.959(3) .
K5 N1 3.016(3) .
K5 C64 3.127(4) .
K5 C24 3.227(4) .
K5 C65 3.232(4) .
K5 C23 3.232(4) .
K5 C71 3.397(4) .
K5 C30 3.481(4) .
K6 O10 2.711(3) .
K6 O11A 2.73(2) .
K6 O9 2.744(4) .
K6 O11B 2.758(16) .
K6 C46 3.107(4) .
K6 C5 3.140(4) 1_445
K6 C45 3.145(4) .
K6 C4 3.176(4) 1_445
K6 C47 3.468(4) .
K6 C44 3.474(4) .
O1 C1 1.307(4) .
N1 C23 1.371(5) .
N1 C13 1.397(5) .
O2 C31 1.323(4) .
O3 C42 1.302(4) .
N2 C64 1.372(5) .
N2 C54 1.392(5) .
O4 C72 1.322(4) .
C1 C6 1.437(5) .
C1 C2 1.445(5) .
C2 C3 1.389(5) .
C2 C7 1.537(6) .
C3 C4 1.388(6) .
C3 H73 0.9500 .
C4 C5 1.394(6) .
C4 C11 1.518(5) .
C4 K6 3.176(4) 1_665
C5 C6 1.386(5) .
C5 K6 3.140(4) 1_665
C5 H74 0.9500 .
C6 C12 1.514(5) .
C7 C8 1.537(6) .
C7 C10 1.539(5) .
C7 C9 1.539(6) .
C8 H1 0.9800 .
C8 H2 0.9800 .
C8 H3 0.9800 .
C9 H4 0.9800 .
C9 H5 0.9800 .
C9 H6 0.9800 .
C10 H7 0.9800 .
C10 H8 0.9800 .
C10 H9 0.9800 .
C11 H10 0.9800 .
C11 H11 0.9800 .
C11 H12 0.9800 .
C12 C14 1.519(5) .
C12 H89 0.9900 .
C12 H90 0.9900 .
C13 C18 1.420(5) .
C13 C14 1.427(5) .
C14 C15 1.405(5) .
C15 C16 1.391(5) .
C15 H91 0.9500 .
C16 C17 1.396(5) .
C16 C19 1.538(5) .
C17 C18 1.386(5) .
C17 H92 0.9500 .
C18 C30 1.523(5) .
C19 C20 1.531(5) .
C19 C22 1.535(5) .
C19 C21 1.540(5) .
C20 H13 0.9800 .
C20 H14 0.9800 .
C20 H15 0.9800 .
C21 H16 0.9800 .
C21 H17 0.9800 .
C21 H18 0.9800 .
C22 H19 0.9800 .
C22 H20 0.9800 .
C22 H21 0.9800 .
C23 C24 1.409(5) .
C23 C28 1.422(5) .
C24 C25 1.386(5) .
C24 H75 0.9500 .
C25 C26 1.380(6) .
C25 H76 0.9500 .
C26 C27 1.400(6) .
C26 C29 1.516(5) .
C27 C28 1.384(5) .
C27 H77 0.9500 .
C28 H78 0.9500 .
C29 H22 0.9800 .
C29 H23 0.9800 .
C29 H24 0.9800 .
C30 C36 1.514(5) .
C30 H93 0.9900 .
C30 H94 0.9900 .
C31 C36 1.421(5) .
C31 C32 1.439(5) .
C32 C33 1.400(6) .
C32 C37 1.542(6) .
C33 C34 1.389(6) .
C33 H95 0.9500 .
C34 C35 1.385(6) .
C34 C41 1.517(6) .
C35 C36 1.386(5) .
C35 H96 0.9500 .
C37 C39 1.530(6) .
C37 C40 1.534(6) .
C37 C38 1.553(6) .
C38 H25 0.9800 .
C38 H26 0.9800 .
C38 H27 0.9800 .
C39 H28 0.9800 .
C39 H29 0.9800 .
C39 H30 0.9800 .
C40 H31 0.9800 .
C40 H32 0.9800 .
C40 H33 0.9800 .
C41 H34 0.9800 .
C41 H35 0.9800 .
C41 H36 0.9800 .
C42 C47 1.439(5) .
C42 C43 1.443(5) .
C43 C44 1.395(5) .
C43 C48 1.538(5) .
C44 C45 1.387(5) .
C44 H79 0.9500 .
C45 C46 1.399(5) .
C45 C52 1.508(5) .
C46 C47 1.392(5) .
C46 H80 0.9500 .
C47 C53 1.508(5) .
C48 C50 1.533(6) .
C48 C51 1.540(6) .
C48 C49 1.545(6) .
C49 H37 0.9800 .
C49 H38 0.9800 .
C49 H39 0.9800 .
C50 H40 0.9800 .
C50 H41 0.9800 .
C50 H42 0.9800 .
C51 H43 0.9800 .
C51 H44 0.9800 .
C51 H45 0.9800 .
C52 H46 0.9800 .
C52 H47 0.9800 .
C52 H48 0.9800 .
C53 C55 1.524(5) .
C53 H97 0.9900 .
C53 H98 0.9900 .
C54 C55 1.426(5) .
C54 C59 1.431(5) .
C55 C56 1.399(5) .
C56 C57 1.393(5) .
C56 H81 0.9500 .
C57 C58 1.406(5) .
C57 C60 1.538(5) .
C58 C59 1.388(5) .
C58 H82 0.9500 .
C59 C71 1.522(5) .
C60 C63 1.533(5) .
C60 C61 1.535(5) .
C60 C62 1.546(5) .
C61 H49 0.9800 .
C61 H50 0.9800 .
C61 H51 0.9800 .
C62 H52 0.9800 .
C62 H53 0.9800 .
C62 H54 0.9800 .
C63 H55 0.9800 .
C63 H56 0.9800 .
C63 H57 0.9800 .
C64 C65 1.416(5) .
C64 C69 1.423(5) .
C65 C66 1.384(5) .
C65 H83 0.9500 .
C66 C67 1.383(6) .
C66 H84 0.9500 .
C67 C68 1.401(6) .
C67 C70 1.514(6) .
C68 C69 1.376(5) .
C68 H85 0.9500 .
C69 H86 0.9500 .
C70 H58 0.9800 .
C70 H59 0.9800 .
C70 H60 0.9800 .
C71 C77 1.513(5) .
C71 H99 0.9900 .
C71 H100 0.9900 .
C72 C73 1.428(5) .
C72 C77 1.430(5) .
C73 C74 1.393(5) .
C73 C78 1.549(5) .
C74 C75 1.400(5) .
C74 H87 0.9500 .
C75 C76 1.382(5) .
C75 C82 1.510(5) .
C76 C77 1.393(5) .
C76 H88 0.9500 .
C78 C81 1.539(5) .
C78 C80 1.544(5) .
C78 C79 1.547(6) .
C79 H61 0.9800 .
C79 H62 0.9800 .
C79 H63 0.9800 .
C80 H64 0.9800 .
C80 H65 0.9800 .
C80 H66 0.9800 .
C81 H67 0.9800 .
C81 H68 0.9800 .
C81 H69 0.9800 .
C82 H70 0.9800 .
C82 H71 0.9800 .
C82 H72 0.9800 .
O5 C83 1.423(5) .
O5 C86 1.431(5) .
C83 C84 1.501(6) .
C83 H101 0.9900 .
C83 H102 0.9900 .
C84 C85 1.536(7) .
C84 H103 0.9900 .
C84 H104 0.9900 .
C85 C86 1.491(6) .
C85 H105 0.9900 .
C85 H106 0.9900 .
C86 H107 0.9900 .
C86 H108 0.9900 .
O6 C90 1.408(5) .
O6 C87 1.432(5) .
C87 C88 1.504(6) .
C87 H109 0.9900 .
C87 H110 0.9900 .
C88 C89 1.488(6) .
C88 H111 0.9900 .
C88 H112 0.9900 .
C89 C90 1.474(6) .
C89 H113 0.9900 .
C89 H114 0.9900 .
C90 H115 0.9900 .
C90 H116 0.9900 .
O7 C94 1.436(5) .
O7 C91 1.437(5) .
C91 C92 1.507(7) .
C91 H117 0.9900 .
C91 H118 0.9900 .
C92 C93 1.534(7) .
C92 H119 0.9900 .
C92 H120 0.9900 .
C93 C94 1.519(7) .
C93 H121 0.9900 .
C93 H122 0.9900 .
C94 H123 0.9900 .
C94 H124 0.9900 .
O8 C95 1.424(6) .
O8 C98 1.428(5) .
C95 C96B 1.487(13) .
C95 C96A 1.602(12) .
C95 H125 0.9900 .
C95 H126 0.9900 .
C95 H127 0.9900 .
C95 H128 0.9900 .
C96B C97 1.540(14) .
C96B H129 0.9900 .
C96B H130 0.9900 .
C96A C97 1.521(12) .
C96A H131 0.9900 .
C96A H132 0.9900 .
C97 C98 1.507(6) .
C97 H133 0.9900 .
C97 H134 0.9900 .
C97 H135 0.9900 .
C97 H136 0.9900 .
C98 H137 0.9900 .
C98 H138 0.9900 .
O9 C99 1.417(7) .
O9 C102 1.433(7) .
C99 C100 1.440(8) .
C99 H139 0.9900 .
C99 H140 0.9900 .
C100 C101 1.464(9) .
C100 H141 0.9900 .
C100 H142 0.9900 .
C101 C102 1.486(8) .
C101 H143 0.9900 .
C101 H144 0.9900 .
C102 H145 0.9900 .
C102 H146 0.9900 .
O10 C106 1.432(5) .
O10 C103 1.442(6) .
C103 C104 1.454(7) .
C103 H147 0.9900 .
C103 H148 0.9900 .
C104 C105 1.508(7) .
C104 H149 0.9900 .
C104 H150 0.9900 .
C105 C106 1.493(7) .
C105 H151 0.9900 .
C105 H152 0.9900 .
C106 H153 0.9900 .
C106 H154 0.9900 .
O11A C107 1.416(12) .
O11A C110 1.426(12) .
C107 C108 1.477(13) .
C107 H155 0.9900 .
C107 H156 0.9900 .
C108 C109 1.568(15) .
C108 H157 0.9900 .
C108 H158 0.9900 .
C109 C110 1.567(15) .
C109 H159 0.9900 .
C109 H160 0.9900 .
C110 H161 0.9900 .
C110 H162 0.9900 .
O11B C111 1.419(11) .
O11B C114 1.424(11) .
C111 C112 1.471(12) .
C111 H163 0.9900 .
C111 H164 0.9900 .
C112 C113 1.549(13) .
C112 H165 0.9900 .
C112 H166 0.9900 .
C113 C114 1.573(15) .
C113 H167 0.9900 .
C113 H168 0.9900 .
C114 H169 0.9900 .
C114 H170 0.9900 .
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
O2 K1 K2 O1 -165.77(11) . .
N1 K1 K2 O1 95.73(11) . .
C72 K1 K2 O1 -112.74(16) . .
O4 K1 K2 O1 -136.92(11) . .
C77 K1 K2 O1 -139.8(5) . .
C13 K1 K2 O1 96.65(11) . .
C73 K1 K2 O1 -81.64(12) . .
K3 K1 K2 O1 -169.97(8) . .
K5 K1 K2 O1 124.54(8) . .
O1 K1 K2 O2 165.77(11) . .
N1 K1 K2 O2 -98.50(10) . .
C72 K1 K2 O2 53.03(16) . .
O4 K1 K2 O2 28.85(10) . .
C77 K1 K2 O2 25.9(4) . .
C13 K1 K2 O2 -97.58(11) . .
C73 K1 K2 O2 84.13(12) . .
K3 K1 K2 O2 -4.20(8) . .
K5 K1 K2 O2 -69.69(8) . .
O1 K1 K2 O5 33.88(18) . .
O2 K1 K2 O5 -131.88(18) . .
N1 K1 K2 O5 129.61(17) . .
C72 K1 K2 O5 -78.9(2) . .
O4 K1 K2 O5 -103.03(17) . .
C77 K1 K2 O5 -106.0(5) . .
C13 K1 K2 O5 130.53(18) . .
C73 K1 K2 O5 -47.76(19) . .
K3 K1 K2 O5 -136.09(16) . .
K5 K1 K2 O5 158.43(16) . .
O1 K1 K2 C15 -77.70(11) . .
O2 K1 K2 C15 116.53(11) . .
N1 K1 K2 C15 18.03(10) . .
C72 K1 K2 C15 169.56(16) . .
O4 K1 K2 C15 145.39(10) . .
C77 K1 K2 C15 142.5(4) . .
C13 K1 K2 C15 18.95(11) . .
C73 K1 K2 C15 -159.34(12) . .
K3 K1 K2 C15 112.33(8) . .
K5 K1 K2 C15 46.85(8) . .
O1 K1 K2 C14 -74.06(11) . .
O2 K1 K2 C14 120.17(11) . .
N1 K1 K2 C14 21.67(10) . .
C72 K1 K2 C14 173.20(16) . .
O4 K1 K2 C14 149.02(10) . .
C77 K1 K2 C14 146.1(4) . .
C13 K1 K2 C14 22.59(10) . .
C73 K1 K2 C14 -155.70(12) . .
K3 K1 K2 C14 115.97(8) . .
K5 K1 K2 C14 50.49(8) . .
O1 K1 K2 C17 -122.67(11) . .
O2 K1 K2 C17 71.56(11) . .
N1 K1 K2 C17 -26.94(10) . .
C72 K1 K2 C17 124.59(16) . .
O4 K1 K2 C17 100.41(10) . .
C77 K1 K2 C17 97.5(4) . .
C13 K1 K2 C17 -26.02(11) . .
C73 K1 K2 C17 155.69(12) . .
K3 K1 K2 C17 67.36(8) . .
K5 K1 K2 C17 1.87(8) . .
O1 K1 K2 C16 -101.92(12) . .
O2 K1 K2 C16 92.31(11) . .
N1 K1 K2 C16 -6.19(11) . .
C72 K1 K2 C16 145.34(16) . .
O4 K1 K2 C16 121.16(11) . .
C77 K1 K2 C16 118.2(4) . .
C13 K1 K2 C16 -5.27(11) . .
C73 K1 K2 C16 176.43(12) . .
K3 K1 K2 C16 88.11(9) . .
K5 K1 K2 C16 22.62(9) . .
O1 K1 K2 C1 -6.54(11) . .
O2 K1 K2 C1 -172.31(11) . .
N1 K1 K2 C1 89.19(10) . .
C72 K1 K2 C1 -119.28(16) . .
O4 K1 K2 C1 -143.46(10) . .
C77 K1 K2 C1 -146.4(4) . .
C13 K1 K2 C1 90.11(11) . .
C73 K1 K2 C1 -88.18(12) . .
K3 K1 K2 C1 -176.51(8) . .
K5 K1 K2 C1 118.01(8) . .
O1 K1 K2 C18 -121.64(11) . .
O2 K1 K2 C18 72.59(11) . .
N1 K1 K2 C18 -25.91(10) . .
C72 K1 K2 C18 125.62(16) . .
O4 K1 K2 C18 101.44(10) . .
C77 K1 K2 C18 98.5(4) . .
C13 K1 K2 C18 -24.99(10) . .
C73 K1 K2 C18 156.72(12) . .
K3 K1 K2 C18 68.39(8) . .
K5 K1 K2 C18 2.90(8) . .
O1 K1 K2 C13 -96.65(11) . .
O2 K1 K2 C13 97.58(11) . .
N1 K1 K2 C13 -0.92(10) . .
C72 K1 K2 C13 150.61(16) . .
O4 K1 K2 C13 126.43(11) . .
C77 K1 K2 C13 123.5(5) . .
C73 K1 K2 C13 -178.29(12) . .
K3 K1 K2 C13 93.38(8) . .
K5 K1 K2 C13 27.89(8) . .
O1 K1 K2 C31 175.92(11) . .
O2 K1 K2 C31 10.16(11) . .
N1 K1 K2 C31 -88.35(10) . .
C72 K1 K2 C31 63.18(16) . .
O4 K1 K2 C31 39.01(10) . .
C77 K1 K2 C31 36.1(4) . .
C13 K1 K2 C31 -87.42(11) . .
C73 K1 K2 C31 94.28(12) . .
K3 K1 K2 C31 5.96(8) . .
K5 K1 K2 C31 -59.53(8) . .
O1 K1 K3 O3 121.54(16) . .
O2 K1 K3 O3 130.33(14) . .
N1 K1 K3 O3 -142.91(13) . .
C72 K1 K3 O3 -13.42(14) . .
O4 K1 K3 O3 -2.87(13) . .
C77 K1 K3 O3 -40.24(14) . .
C13 K1 K3 O3 -167.62(13) . .
K2 K1 K3 O3 134.71(11) . .
C73 K1 K3 O3 1.99(13) . .
K5 K1 K3 O3 -116.17(12) . .
O1 K1 K3 O4 124.41(14) . .
O2 K1 K3 O4 133.19(11) . .
N1 K1 K3 O4 -140.05(10) . .
C72 K1 K3 O4 -10.55(11) . .
C77 K1 K3 O4 -37.38(10) . .
C13 K1 K3 O4 -164.76(10) . .
K2 K1 K3 O4 137.58(8) . .
C73 K1 K3 O4 4.86(10) . .
K5 K1 K3 O4 -113.31(8) . .
O1 K1 K3 N2 -146.66(13) . .
O2 K1 K3 N2 -137.88(11) . .
N1 K1 K3 N2 -51.12(9) . .
C72 K1 K3 N2 78.37(11) . .
O4 K1 K3 N2 88.93(10) . .
C77 K1 K3 N2 51.55(10) . .
C13 K1 K3 N2 -75.83(9) . .
K2 K1 K3 N2 -133.50(7) . .
C73 K1 K3 N2 93.79(9) . .
K5 K1 K3 N2 -24.38(7) . .
O1 K1 K3 O2 -8.78(14) . .
N1 K1 K3 O2 86.76(10) . .
C72 K1 K3 O2 -143.75(12) . .
O4 K1 K3 O2 -133.19(11) . .
C77 K1 K3 O2 -170.57(11) . .
C13 K1 K3 O2 62.05(10) . .
K2 K1 K3 O2 4.38(8) . .
C73 K1 K3 O2 -128.33(10) . .
K5 K1 K3 O2 113.50(8) . .
O1 K1 K3 C31 -19.96(14) . .
O2 K1 K3 C31 -11.17(12) . .
N1 K1 K3 C31 75.59(11) . .
C72 K1 K3 C31 -154.92(12) . .
O4 K1 K3 C31 -144.37(12) . .
C77 K1 K3 C31 178.26(11) . .
C13 K1 K3 C31 50.88(11) . .
K2 K1 K3 C31 -6.79(9) . .
C73 K1 K3 C31 -139.51(11) . .
K5 K1 K3 C31 102.33(9) . .
O1 K1 K3 C36 -45.82(14) . .
O2 K1 K3 C36 -37.03(11) . .
N1 K1 K3 C36 49.73(10) . .
C72 K1 K3 C36 179.22(11) . .
O4 K1 K3 C36 -170.22(11) . .
C77 K1 K3 C36 152.40(10) . .
C13 K1 K3 C36 25.02(10) . .
K2 K1 K3 C36 -32.65(7) . .
C73 K1 K3 C36 -165.36(10) . .
K5 K1 K3 C36 76.47(8) . .
O1 K1 K3 C54 -171.42(13) . .
O2 K1 K3 C54 -162.64(11) . .
N1 K1 K3 C54 -75.88(9) . .
C72 K1 K3 C54 53.61(11) . .
O4 K1 K3 C54 64.17(10) . .
C77 K1 K3 C54 26.79(10) . .
C13 K1 K3 C54 -100.59(9) . .
K2 K1 K3 C54 -158.26(7) . .
C73 K1 K3 C54 69.03(9) . .
K5 K1 K3 C54 -49.14(7) . .
O1 K1 K3 K4 131.65(11) . .
O2 K1 K3 K4 140.44(8) . .
N1 K1 K3 K4 -132.80(7) . .
C72 K1 K3 K4 -3.31(9) . .
O4 K1 K3 K4 7.24(8) . .
C77 K1 K3 K4 -30.13(7) . .
C13 K1 K3 K4 -157.51(7) . .
K2 K1 K3 K4 144.82(3) . .
C73 K1 K3 K4 12.10(7) . .
K5 K1 K3 K4 -106.06(4) . .
O1 K1 K3 K5 -122.29(12) . .
O2 K1 K3 K5 -113.50(8) . .
N1 K1 K3 K5 -26.74(7) . .
C72 K1 K3 K5 102.75(9) . .
O4 K1 K3 K5 113.31(8) . .
C77 K1 K3 K5 75.93(8) . .
C13 K1 K3 K5 -51.45(7) . .
K2 K1 K3 K5 -109.12(3) . .
C73 K1 K3 K5 118.17(7) . .
O1 K1 K5 O7 35.46(12) . .
O2 K1 K5 O7 -63.49(10) . .
N1 K1 K5 O7 30.16(13) . .
C72 K1 K5 O7 -168.96(11) . .
O4 K1 K5 O7 -143.26(10) . .
C77 K1 K5 O7 172.31(11) . .
C13 K1 K5 O7 9.39(11) . .
K2 K1 K5 O7 -17.96(9) . .
C73 K1 K5 O7 -177.48(11) . .
K3 K1 K5 O7 -105.47(9) . .
O1 K1 K5 O8 -116.51(12) . .
O2 K1 K5 O8 144.53(10) . .
N1 K1 K5 O8 -121.82(13) . .
C72 K1 K5 O8 39.06(12) . .
O4 K1 K5 O8 64.77(10) . .
C77 K1 K5 O8 20.33(11) . .
C13 K1 K5 O8 -142.59(11) . .
K2 K1 K5 O8 -169.94(8) . .
C73 K1 K5 O8 30.55(11) . .
K3 K1 K5 O8 102.56(9) . .
O1 K1 K5 N2 164.12(11) . .
O2 K1 K5 N2 65.17(9) . .
N1 K1 K5 N2 158.82(12) . .
C72 K1 K5 N2 -40.31(10) . .
O4 K1 K5 N2 -14.60(8) . .
C77 K1 K5 N2 -59.04(10) . .
C13 K1 K5 N2 138.05(10) . .
K2 K1 K5 N2 110.70(7) . .
C73 K1 K5 N2 -48.82(10) . .
K3 K1 K5 N2 23.19(7) . .
O1 K1 K5 N1 5.30(13) . .
O2 K1 K5 N1 -93.65(12) . .
C72 K1 K5 N1 160.88(13) . .
O4 K1 K5 N1 -173.42(12) . .
C77 K1 K5 N1 142.14(13) . .
C13 K1 K5 N1 -20.77(12) . .
K2 K1 K5 N1 -48.12(10) . .
C73 K1 K5 N1 152.36(13) . .
K3 K1 K5 N1 -135.63(10) . .
O1 K1 K5 C64 153.81(11) . .
O2 K1 K5 C64 54.86(10) . .
N1 K1 K5 C64 148.51(13) . .
C72 K1 K5 C64 -50.61(11) . .
O4 K1 K5 C64 -24.91(9) . .
C77 K1 K5 C64 -69.34(11) . .
C13 K1 K5 C64 127.74(11) . .
K2 K1 K5 C64 100.39(8) . .
C73 K1 K5 C64 -59.13(11) . .
K3 K1 K5 C64 12.88(8) . .
O1 K1 K5 C24 -51.88(12) . .
O2 K1 K5 C24 -150.83(10) . .
N1 K1 K5 C24 -57.18(13) . .
C72 K1 K5 C24 103.69(12) . .
O4 K1 K5 C24 129.40(10) . .
C77 K1 K5 C24 84.96(11) . .
C13 K1 K5 C24 -77.96(11) . .
K2 K1 K5 C24 -105.30(9) . .
C73 K1 K5 C24 95.18(11) . .
K3 K1 K5 C24 167.19(9) . .
O1 K1 K5 C65 127.48(11) . .
O2 K1 K5 C65 28.53(10) . .
N1 K1 K5 C65 122.18(13) . .
C72 K1 K5 C65 -76.94(11) . .
O4 K1 K5 C65 -51.24(9) . .
C77 K1 K5 C65 -95.68(11) . .
C13 K1 K5 C65 101.41(11) . .
K2 K1 K5 C65 74.06(8) . .
C73 K1 K5 C65 -85.46(11) . .
K3 K1 K5 C65 -13.45(8) . .
O1 K1 K5 C23 -21.46(12) . .
O2 K1 K5 C23 -120.42(11) . .
N1 K1 K5 C23 -26.77(13) . .
C72 K1 K5 C23 134.11(12) . .
O4 K1 K5 C23 159.81(10) . .
C77 K1 K5 C23 115.38(12) . .
C13 K1 K5 C23 -47.54(12) . .
K2 K1 K5 C23 -74.89(9) . .
C73 K1 K5 C23 125.60(11) . .
K3 K1 K5 C23 -162.40(9) . .
O1 K1 K5 C71 -145.45(12) . .
O2 K1 K5 C71 115.59(10) . .
N1 K1 K5 C71 -150.76(13) . .
C72 K1 K5 C71 10.12(11) . .
O4 K1 K5 C71 35.83(10) . .
C77 K1 K5 C71 -8.61(11) . .
C13 K1 K5 C71 -171.53(12) . .
K2 K1 K5 C71 161.12(9) . .
C73 K1 K5 C71 1.61(11) . .
K3 K1 K5 C71 73.62(9) . .
O1 K1 K5 C30 75.35(12) . .
O2 K1 K5 C30 -23.60(9) . .
N1 K1 K5 C30 70.05(13) . .
C72 K1 K5 C30 -129.07(11) . .
O4 K1 K5 C30 -103.37(9) . .
C77 K1 K5 C30 -147.80(11) . .
C13 K1 K5 C30 49.28(11) . .
K2 K1 K5 C30 21.93(8) . .
C73 K1 K5 C30 -137.58(11) . .
K3 K1 K5 C30 -65.58(8) . .
O1 K1 K5 K3 140.93(9) . .
O2 K1 K5 K3 41.98(6) . .
N1 K1 K5 K3 135.63(10) . .
C72 K1 K5 K3 -63.50(8) . .
O4 K1 K5 K3 -37.79(5) . .
C77 K1 K5 K3 -82.23(8) . .
C13 K1 K5 K3 114.86(8) . .
K2 K1 K5 K3 87.51(4) . .
C73 K1 K5 K3 -72.01(8) . .
O3 K3 K5 O7 -111.51(11) . .
O4 K3 K5 O7 150.70(10) . .
N2 K3 K5 O7 -114.18(14) . .
O2 K3 K5 O7 69.52(10) . .
C31 K3 K5 O7 43.60(12) . .
C36 K3 K5 O7 25.77(11) . .
C54 K3 K5 O7 -136.39(12) . .
K4 K3 K5 O7 -163.81(8) . .
K1 K3 K5 O7 107.65(9) . .
O3 K3 K5 O8 35.91(12) . .
O4 K3 K5 O8 -61.87(10) . .
N2 K3 K5 O8 33.25(13) . .
O2 K3 K5 O8 -143.06(10) . .
C31 K3 K5 O8 -168.98(11) . .
C36 K3 K5 O8 173.20(11) . .
C54 K3 K5 O8 11.03(11) . .
K4 K3 K5 O8 -16.39(8) . .
K1 K3 K5 O8 -104.92(9) . .
O3 K3 K5 N2 2.67(13) . .
O4 K3 K5 N2 -95.12(12) . .
O2 K3 K5 N2 -176.30(12) . .
C31 K3 K5 N2 157.78(14) . .
C36 K3 K5 N2 139.95(13) . .
C54 K3 K5 N2 -22.21(13) . .
K4 K3 K5 N2 -49.63(11) . .
K1 K3 K5 N2 -138.17(11) . .
O3 K3 K5 N1 166.09(10) . .
O4 K3 K5 N1 68.31(8) . .
N2 K3 K5 N1 163.43(13) . .
O2 K3 K5 N1 -12.88(8) . .
C31 K3 K5 N1 -38.79(10) . .
C36 K3 K5 N1 -56.62(10) . .
C54 K3 K5 N1 141.22(10) . .
K4 K3 K5 N1 113.79(7) . .
K1 K3 K5 N1 25.26(6) . .
O3 K3 K5 C64 -23.61(12) . .
O4 K3 K5 C64 -121.40(11) . .
N2 K3 K5 C64 -26.28(13) . .
O2 K3 K5 C64 157.42(10) . .
C31 K3 K5 C64 131.50(12) . .
C36 K3 K5 C64 113.68(12) . .
C54 K3 K5 C64 -48.49(12) . .
K4 K3 K5 C64 -75.91(9) . .
K1 K3 K5 C64 -164.45(9) . .
O3 K3 K5 C24 129.59(11) . .
O4 K3 K5 C24 31.80(10) . .
N2 K3 K5 C24 126.92(13) . .
O2 K3 K5 C24 -49.38(9) . .
C31 K3 K5 C24 -75.30(11) . .
C36 K3 K5 C24 -93.12(11) . .
C54 K3 K5 C24 104.71(11) . .
K4 K3 K5 C24 77.29(8) . .
K1 K3 K5 C24 -11.24(7) . .
O3 K3 K5 C65 -54.41(12) . .
O4 K3 K5 C65 -152.19(10) . .
N2 K3 K5 C65 -57.07(13) . .
O2 K3 K5 C65 126.62(10) . .
C31 K3 K5 C65 100.70(12) . .
C36 K3 K5 C65 82.88(11) . .
C54 K3 K5 C65 -79.29(12) . .
K4 K3 K5 C65 -106.71(9) . .
K1 K3 K5 C65 164.76(9) . .
O3 K3 K5 C23 155.28(11) . .
O4 K3 K5 C23 57.50(9) . .
N2 K3 K5 C23 152.62(13) . .
O2 K3 K5 C23 -23.69(9) . .
C31 K3 K5 C23 -49.60(11) . .
C36 K3 K5 C23 -67.43(11) . .
C54 K3 K5 C23 130.41(11) . .
K4 K3 K5 C23 102.98(8) . .
K1 K3 K5 C23 14.45(7) . .
O3 K3 K5 C71 76.59(11) . .
O4 K3 K5 C71 -21.19(9) . .
N2 K3 K5 C71 73.93(13) . .
O2 K3 K5 C71 -102.38(9) . .
C31 K3 K5 C71 -128.29(11) . .
C36 K3 K5 C71 -146.12(11) . .
C54 K3 K5 C71 51.72(11) . .
K4 K3 K5 C71 24.29(8) . .
K1 K3 K5 C71 -64.24(8) . .
O3 K3 K5 C30 -145.43(12) . .
O4 K3 K5 C30 116.78(10) . .
N2 K3 K5 C30 -148.10(14) . .
O2 K3 K5 C30 35.60(10) . .
C31 K3 K5 C30 9.68(11) . .
C36 K3 K5 C30 -8.15(11) . .
C54 K3 K5 C30 -170.31(12) . .
K4 K3 K5 C30 162.27(9) . .
K1 K3 K5 C30 73.73(9) . .
O3 K3 K5 K1 140.84(9) . .
O4 K3 K5 K1 43.05(6) . .
N2 K3 K5 K1 138.17(11) . .
O2 K3 K5 K1 -38.14(6) . .
C31 K3 K5 K1 -64.05(9) . .
C36 K3 K5 K1 -81.88(8) . .
C54 K3 K5 K1 115.96(9) . .
K4 K3 K5 K1 88.54(4) . .
O2 K1 O1 C1 112.5(9) . .
N1 K1 O1 C1 21.5(9) . .
C72 K1 O1 C1 -126.5(9) . .
O4 K1 O1 C1 -164.2(9) . .
C77 K1 O1 C1 -87.8(10) . .
C13 K1 O1 C1 41.1(9) . .
K2 K1 O1 C1 101.6(9) . .
C73 K1 O1 C1 -129.4(9) . .
K3 K1 O1 C1 118.9(9) . .
K5 K1 O1 C1 18.1(10) . .
O2 K1 O1 K2 10.88(9) . .
N1 K1 O1 K2 -80.13(9) . .
C72 K1 O1 K2 131.88(13) . .
O4 K1 O1 K2 94.21(15) . .
C77 K1 O1 K2 170.65(11) . .
C13 K1 O1 K2 -60.45(8) . .
C73 K1 O1 K2 129.04(9) . .
K3 K1 O1 K2 17.34(14) . .
K5 K1 O1 K2 -83.53(9) . .
O2 K2 O1 C1 -175.4(2) . .
O5 K2 O1 C1 31.4(2) . .
C15 K2 O1 C1 -59.0(2) . .
C14 K2 O1 C1 -76.0(2) . .
C17 K2 O1 C1 -94.5(2) . .
C16 K2 O1 C1 -66.5(2) . .
C18 K2 O1 C1 -110.9(2) . .
C13 K2 O1 C1 -102.6(2) . .
C31 K2 O1 C1 -169.1(2) . .
K1 K2 O1 C1 -164.9(3) . .
O2 K2 O1 K1 -10.59(8) . .
O5 K2 O1 K1 -163.76(9) . .
C15 K2 O1 K1 105.86(9) . .
C14 K2 O1 K1 88.86(10) . .
C17 K2 O1 K1 70.36(11) . .
C16 K2 O1 K1 98.39(10) . .
C1 K2 O1 K1 164.9(3) . .
C18 K2 O1 K1 53.91(9) . .
C13 K2 O1 K1 62.21(9) . .
C31 K2 O1 K1 -4.25(12) . .
O1 K1 N1 C23 -82.2(3) . .
O2 K1 N1 C23 179.9(3) . .
C72 K1 N1 C23 69.1(3) . .
O4 K1 N1 C23 101.7(3) . .
C77 K1 N1 C23 57.0(3) . .
C13 K1 N1 C23 -133.2(4) . .
K2 K1 N1 C23 -131.3(3) . .
C73 K1 N1 C23 45.3(3) . .
K3 K1 N1 C23 133.2(3) . .
K5 K1 N1 C23 93.7(3) . .
O1 K1 N1 C13 51.0(2) . .
O2 K1 N1 C13 -46.9(2) . .
C72 K1 N1 C13 -157.7(2) . .
O4 K1 N1 C13 -125.1(2) . .
C77 K1 N1 C13 -169.9(2) . .
K2 K1 N1 C13 1.9(2) . .
C73 K1 N1 C13 178.5(2) . .
K3 K1 N1 C13 -93.7(2) . .
K5 K1 N1 C13 -133.1(3) . .
O1 K1 N1 K5 -175.87(10) . .
O2 K1 N1 K5 86.20(10) . .
C72 K1 N1 K5 -24.59(16) . .
O4 K1 N1 K5 8.02(14) . .
C77 K1 N1 K5 -36.73(12) . .
C13 K1 N1 K5 133.1(3) . .
K2 K1 N1 K5 135.00(9) . .
C73 K1 N1 K5 -48.4(2) . .
K3 K1 N1 K5 39.47(9) . .
O7 K5 N1 C23 84.3(2) . .
O8 K5 N1 C23 -38.6(3) . .
N2 K5 N1 C23 -143.9(2) . .
C64 K5 N1 C23 -165.1(2) . .
C24 K5 N1 C23 -27.9(2) . .
C65 K5 N1 C23 164.9(2) . .
C71 K5 N1 C23 -98.8(2) . .
C30 K5 N1 C23 157.3(3) . .
K1 K5 N1 C23 -121.0(2) . .
K3 K5 N1 C23 -154.4(2) . .
O7 K5 N1 C13 -42.9(3) . .
O8 K5 N1 C13 -165.8(3) . .
N2 K5 N1 C13 88.9(3) . .
C64 K5 N1 C13 67.7(3) . .
C24 K5 N1 C13 -155.0(3) . .
C65 K5 N1 C13 37.7(3) . .
C23 K5 N1 C13 -127.2(4) . .
C71 K5 N1 C13 134.0(3) . .
C30 K5 N1 C13 30.1(3) . .
K1 K5 N1 C13 111.8(3) . .
K3 K5 N1 C13 78.5(3) . .
O7 K5 N1 K1 -154.65(11) . .
O8 K5 N1 K1 82.46(14) . .
N2 K5 N1 K1 -22.89(13) . .
C64 K5 N1 K1 -44.09(16) . .
C24 K5 N1 K1 93.18(15) . .
C65 K5 N1 K1 -74.08(13) . .
C23 K5 N1 K1 121.0(2) . .
C71 K5 N1 K1 22.22(10) . .
C30 K5 N1 K1 -81.71(12) . .
K3 K5 N1 K1 -33.33(7) . .
O1 K1 O2 C31 -118.0(5) . .
N1 K1 O2 C31 -28.8(5) . .
C72 K1 O2 C31 101.4(5) . .
O4 K1 O2 C31 96.7(5) . .
C77 K1 O2 C31 77.9(5) . .
C13 K1 O2 C31 -47.2(5) . .
K2 K1 O2 C31 -107.1(5) . .
C73 K1 O2 C31 125.0(5) . .
K3 K1 O2 C31 67.2(5) . .
K5 K1 O2 C31 11.0(5) . .
O1 K1 O2 K2 -10.87(9) . .
N1 K1 O2 K2 78.33(8) . .
C72 K1 O2 K2 -151.47(9) . .
O4 K1 O2 K2 -156.20(8) . .
C77 K1 O2 K2 -175.00(9) . .
C13 K1 O2 K2 59.93(8) . .
C73 K1 O2 K2 -127.92(8) . .
K3 K1 O2 K2 174.27(10) . .
K5 K1 O2 K2 118.10(6) . .
O1 K1 O2 K3 174.86(8) . .
N1 K1 O2 K3 -95.94(8) . .
C72 K1 O2 K3 34.26(11) . .
O4 K1 O2 K3 29.53(7) . .
C77 K1 O2 K3 10.73(12) . .
C13 K1 O2 K3 -114.34(9) . .
K2 K1 O2 K3 -174.27(10) . .
C73 K1 O2 K3 57.81(10) . .
K5 K1 O2 K3 -56.17(6) . .
O1 K2 O2 C31 165.3(2) . .
O5 K2 O2 C31 -63.5(3) . .
C15 K2 O2 C31 75.3(2) . .
C14 K2 O2 C31 97.4(2) . .
C17 K2 O2 C31 48.3(2) . .
C16 K2 O2 C31 50.0(2) . .
C1 K2 O2 C31 163.2(2) . .
C18 K2 O2 C31 69.0(2) . .
C13 K2 O2 C31 93.8(2) . .
K1 K2 O2 C31 155.0(3) . .
O1 K2 O2 K1 10.29(8) . .
O5 K2 O2 K1 141.50(14) . .
C15 K2 O2 K1 -79.67(11) . .
C14 K2 O2 K1 -57.57(10) . .
C17 K2 O2 K1 -106.69(9) . .
C16 K2 O2 K1 -105.02(9) . .
C1 K2 O2 K1 8.18(12) . .
C18 K2 O2 K1 -85.96(10) . .
C13 K2 O2 K1 -61.22(9) . .
C31 K2 O2 K1 -155.0(3) . .
O1 K2 O2 K3 50.9(7) . .
O5 K2 O2 K3 -177.9(6) . .
C15 K2 O2 K3 -39.1(7) . .
C14 K2 O2 K3 -17.0(7) . .
C17 K2 O2 K3 -66.1(7) . .
C16 K2 O2 K3 -64.4(7) . .
C1 K2 O2 K3 48.8(7) . .
C18 K2 O2 K3 -45.4(7) . .
C13 K2 O2 K3 -20.6(7) . .
C31 K2 O2 K3 -114.4(8) . .
K1 K2 O2 K3 40.6(7) . .
O3 K3 O2 C31 81.4(3) . .
O4 K3 O2 C31 170.4(2) . .
N2 K3 O2 C31 -103.0(2) . .
C36 K3 O2 C31 -31.9(2) . .
C54 K3 O2 C31 -131.5(2) . .
K4 K3 O2 C31 151.85(19) . .
K1 K3 O2 C31 -156.3(2) . .
K5 K3 O2 C31 -100.3(2) . .
O3 K3 O2 K1 -122.31(16) . .
O4 K3 O2 K1 -33.25(8) . .
N2 K3 O2 K1 53.34(12) . .
C31 K3 O2 K1 156.3(2) . .
C36 K3 O2 K1 124.46(14) . .
C54 K3 O2 K1 24.87(15) . .
K4 K3 O2 K1 -51.83(9) . .
K5 K3 O2 K1 56.07(7) . .
O3 K3 O2 K2 -162.5(6) . .
O4 K3 O2 K2 -73.4(7) . .
N2 K3 O2 K2 13.2(8) . .
C31 K3 O2 K2 116.2(8) . .
C36 K3 O2 K2 84.3(7) . .
C54 K3 O2 K2 -15.3(8) . .
K4 K3 O2 K2 -92.0(7) . .
K1 K3 O2 K2 -40.2(7) . .
K5 K3 O2 K2 15.9(7) . .
O4 K3 O3 C42 111.8(10) . .
N2 K3 O3 C42 20.0(10) . .
O2 K3 O3 C42 -163.6(10) . .
C31 K3 O3 C42 -123.4(10) . .
C36 K3 O3 C42 -84.7(10) . .
C54 K3 O3 C42 40.0(10) . .
K4 K3 O3 C42 100.7(10) . .
K1 K3 O3 C42 113.9(10) . .
K5 K3 O3 C42 18.4(11) . .
O4 K3 O3 K4 11.08(8) . .
N2 K3 O3 K4 -80.71(9) . .
O2 K3 O3 K4 95.66(16) . .
C31 K3 O3 K4 135.85(14) . .
C36 K3 O3 K4 174.56(12) . .
C54 K3 O3 K4 -60.69(9) . .
K1 K3 O3 K4 13.22(14) . .
K5 K3 O3 K4 -82.36(8) . .
O4 K4 O3 C42 -176.5(2) . .
O6 K4 O3 C42 32.9(2) . .
C55 K4 O3 C42 -75.7(2) . .
C59 K4 O3 C42 -111.4(2) . .
C58 K4 O3 C42 -94.6(2) . .
C56 K4 O3 C42 -59.6(2) . .
C57 K4 O3 C42 -67.2(2) . .
C54 K4 O3 C42 -102.8(2) . .
C72 K4 O3 C42 -170.5(2) . .
C87 K4 O3 C42 17.0(2) . .
O4 K4 O3 K3 -10.81(8) . .
O6 K4 O3 K3 -161.42(9) . .
C55 K4 O3 K3 89.99(10) . .
C59 K4 O3 K3 54.27(9) . .
C58 K4 O3 K3 71.11(11) . .
C56 K4 O3 K3 106.09(9) . .
C42 K4 O3 K3 165.7(3) . .
C57 K4 O3 K3 98.51(10) . .
C54 K4 O3 K3 62.86(9) . .
C72 K4 O3 K3 -4.79(11) . .
C87 K4 O3 K3 -177.25(9) . .
O3 K3 N2 C64 -83.7(3) . .
O4 K3 N2 C64 179.2(3) . .
O2 K3 N2 C64 98.5(3) . .
C31 K3 N2 C64 66.5(3) . .
C36 K3 N2 C64 55.5(3) . .
C54 K3 N2 C64 -135.2(4) . .
K4 K3 N2 C64 -133.4(3) . .
K1 K3 N2 C64 131.2(3) . .
K5 K3 N2 C64 94.1(3) . .
O3 K3 N2 C54 51.4(2) . .
O4 K3 N2 C54 -45.6(2) . .
O2 K3 N2 C54 -126.3(2) . .
C31 K3 N2 C54 -158.3(2) . .
C36 K3 N2 C54 -169.3(2) . .
K4 K3 N2 C54 1.8(2) . .
K1 K3 N2 C54 -93.6(2) . .
K5 K3 N2 C54 -130.7(3) . .
O3 K3 N2 K5 -177.83(11) . .
O4 K3 N2 K5 85.13(11) . .
O2 K3 N2 K5 4.42(15) . .
C31 K3 N2 K5 -27.61(16) . .
C36 K3 N2 K5 -38.56(12) . .
C54 K3 N2 K5 130.7(3) . .
K4 K3 N2 K5 132.54(9) . .
K1 K3 N2 K5 37.11(9) . .
O7 K5 N2 C64 -34.3(3) . .
O8 K5 N2 C64 84.8(2) . .
N1 K5 N2 C64 -142.7(2) . .
C24 K5 N2 C64 166.5(2) . .
C65 K5 N2 C64 -29.7(2) . .
C23 K5 N2 C64 -162.6(2) . .
C71 K5 N2 C64 155.8(2) . .
C30 K5 N2 C64 -100.2(2) . .
K1 K5 N2 C64 -156.5(2) . .
K3 K5 N2 C64 -124.8(3) . .
O7 K5 N2 C54 -155.9(3) . .
O8 K5 N2 C54 -36.8(3) . .
N1 K5 N2 C54 95.7(3) . .
C64 K5 N2 C54 -121.6(4) . .
C24 K5 N2 C54 44.9(3) . .
C65 K5 N2 C54 -151.3(3) . .
C23 K5 N2 C54 75.8(3) . .
C71 K5 N2 C54 34.2(3) . .
C30 K5 N2 C54 138.2(3) . .
K1 K5 N2 C54 81.9(3) . .
K3 K5 N2 C54 113.6(3) . .
O7 K5 N2 K3 90.54(14) . .
O8 K5 N2 K3 -150.39(11) . .
N1 K5 N2 K3 -17.90(13) . .
C64 K5 N2 K3 124.8(3) . .
C24 K5 N2 K3 -68.69(14) . .
C65 K5 N2 K3 95.18(15) . .
C23 K5 N2 K3 -37.79(17) . .
C71 K5 N2 K3 -79.40(12) . .
C30 K5 N2 K3 24.65(11) . .
K1 K5 N2 K3 -31.65(8) . .
O3 K3 O4 C72 -123.9(5) . .
N2 K3 O4 C72 -36.2(5) . .
O2 K3 O4 C72 87.4(5) . .
C31 K3 O4 C72 91.9(5) . .
C36 K3 O4 C72 68.9(5) . .
C54 K3 O4 C72 -54.2(5) . .
K4 K3 O4 C72 -112.6(5) . .
K1 K3 O4 C72 57.7(5) . .
K5 K3 O4 C72 1.8(5) . .
O3 K3 O4 K4 -11.30(8) . .
N2 K3 O4 K4 76.44(9) . .
O2 K3 O4 K4 -159.95(8) . .
C31 K3 O4 K4 -155.52(9) . .
C36 K3 O4 K4 -178.44(9) . .
C54 K3 O4 K4 58.44(9) . .
K1 K3 O4 K4 170.36(10) . .
K5 K3 O4 K4 114.40(6) . .
O3 K3 O4 K1 178.35(8) . .
N2 K3 O4 K1 -93.91(9) . .
O2 K3 O4 K1 29.69(7) . .
C31 K3 O4 K1 34.13(11) . .
C36 K3 O4 K1 11.21(12) . .
C54 K3 O4 K1 -111.92(9) . .
K4 K3 O4 K1 -170.36(10) . .
K5 K3 O4 K1 -55.96(5) . .
O6 K4 O4 C72 -64.5(3) . .
O3 K4 O4 C72 165.9(2) . .
C55 K4 O4 C72 99.4(2) . .
C59 K4 O4 C72 70.3(2) . .
C58 K4 O4 C72 49.9(2) . .
C56 K4 O4 C72 77.9(2) . .
C42 K4 O4 C72 164.3(2) . .
C57 K4 O4 C72 52.8(2) . .
C54 K4 O4 C72 95.6(2) . .
C87 K4 O4 C72 -74.2(5) . .
O6 K4 O4 K3 140.11(14) . .
O3 K4 O4 K3 10.56(8) . .
C55 K4 O4 K3 -55.96(10) . .
C59 K4 O4 K3 -85.03(10) . .
C58 K4 O4 K3 -105.44(9) . .
C56 K4 O4 K3 -77.47(11) . .
C42 K4 O4 K3 8.98(11) . .
C57 K4 O4 K3 -102.56(9) . .
C54 K4 O4 K3 -59.73(9) . .
C72 K4 O4 K3 -155.3(2) . .
C87 K4 O4 K3 130.4(4) . .
O6 K4 O4 K1 -159.4(5) . .
O3 K4 O4 K1 71.0(6) . .
C55 K4 O4 K1 4.5(6) . .
C59 K4 O4 K1 -24.5(5) . .
C58 K4 O4 K1 -44.9(5) . .
C56 K4 O4 K1 -17.0(6) . .
C42 K4 O4 K1 69.5(6) . .
C57 K4 O4 K1 -42.1(6) . .
C54 K4 O4 K1 0.8(5) . .
C72 K4 O4 K1 -94.8(6) . .
C87 K4 O4 K1 -169.1(5) . .
O1 K1 O4 C72 80.6(2) . .
O2 K1 O4 C72 169.6(2) . .
N1 K1 O4 C72 -106.3(2) . .
C77 K1 O4 C72 -33.0(2) . .
C13 K1 O4 C72 -135.6(2) . .
K2 K1 O4 C72 147.74(19) . .
C73 K1 O4 C72 29.4(2) . .
K3 K1 O4 C72 -157.7(2) . .
K5 K1 O4 C72 -101.1(2) . .
O1 K1 O4 K3 -121.70(14) . .
O2 K1 O4 K3 -32.70(8) . .
N1 K1 O4 K3 51.38(12) . .
C72 K1 O4 K3 157.7(2) . .
C77 K1 O4 K3 124.70(13) . .
C13 K1 O4 K3 22.07(15) . .
K2 K1 O4 K3 -54.61(9) . .
C73 K1 O4 K3 -172.91(14) . .
K5 K1 O4 K3 56.53(6) . .
O1 K1 O4 K4 178.3(5) . .
O2 K1 O4 K4 -92.7(6) . .
N1 K1 O4 K4 -8.6(6) . .
C72 K1 O4 K4 97.7(6) . .
C77 K1 O4 K4 64.7(5) . .
C13 K1 O4 K4 -37.9(6) . .
K2 K1 O4 K4 -114.6(5) . .
C73 K1 O4 K4 127.1(6) . .
K3 K1 O4 K4 -60.0(5) . .
K5 K1 O4 K4 -3.4(5) . .
K1 O1 C1 C6 -21.5(12) . .
K2 O1 C1 C6 78.1(3) . .
K1 O1 C1 C2 159.1(7) . .
K2 O1 C1 C2 -101.2(4) . .
K1 O1 C1 K2 -99.6(9) . .
O2 K2 C1 O1 5.1(3) . .
O5 K2 C1 O1 -150.4(2) . .
C15 K2 C1 O1 118.1(2) . .
C14 K2 C1 O1 93.0(2) . .
C17 K2 C1 O1 97.9(2) . .
C16 K2 C1 O1 120.5(2) . .
C18 K2 C1 O1 73.6(2) . .
C13 K2 C1 O1 71.7(2) . .
C31 K2 C1 O1 15.2(3) . .
K1 K2 C1 O1 11.62(19) . .
O1 K2 C1 C6 -121.1(3) . .
O2 K2 C1 C6 -115.9(2) . .
O5 K2 C1 C6 88.5(2) . .
C15 K2 C1 C6 -3.0(2) . .
C14 K2 C1 C6 -28.0(2) . .
C17 K2 C1 C6 -23.1(3) . .
C16 K2 C1 C6 -0.6(2) . .
C18 K2 C1 C6 -47.4(2) . .
C13 K2 C1 C6 -49.4(2) . .
C31 K2 C1 C6 -105.9(2) . .
K1 K2 C1 C6 -109.4(2) . .
O1 K2 C1 C2 114.3(4) . .
O2 K2 C1 C2 119.4(3) . .
O5 K2 C1 C2 -36.1(3) . .
C15 K2 C1 C2 -127.6(3) . .
C14 K2 C1 C2 -152.7(3) . .
C17 K2 C1 C2 -147.8(3) . .
C16 K2 C1 C2 -125.3(3) . .
C18 K2 C1 C2 -172.1(3) . .
C13 K2 C1 C2 -174.0(3) . .
C31 K2 C1 C2 129.5(3) . .
K1 K2 C1 C2 125.9(3) . .
O1 C1 C2 C3 172.3(4) . .
C6 C1 C2 C3 -7.1(5) . .
K2 C1 C2 C3 106.3(4) . .
O1 C1 C2 C7 -5.7(6) . .
C6 C1 C2 C7 174.9(3) . .
K2 C1 C2 C7 -71.8(4) . .
C1 C2 C3 C4 0.9(6) . .
C7 C2 C3 C4 178.9(4) . .
C2 C3 C4 C5 4.4(6) . .
C2 C3 C4 C11 -172.2(4) . .
C2 C3 C4 K6 81.8(4) . 1_665
C3 C4 C5 C6 -3.5(6) . .
C11 C4 C5 C6 173.1(4) . .
K6 C4 C5 C6 -93.7(4) 1_665 .
C3 C4 C5 K6 90.2(4) . 1_665
C11 C4 C5 K6 -93.2(4) . 1_665
C4 C5 C6 C1 -2.8(6) . .
K6 C5 C6 C1 -85.1(4) 1_665 .
C4 C5 C6 C12 176.3(4) . .
K6 C5 C6 C12 94.0(4) 1_665 .
O1 C1 C6 C5 -171.4(4) . .
C2 C1 C6 C5 8.1(5) . .
K2 C1 C6 C5 -115.5(3) . .
O1 C1 C6 C12 9.5(5) . .
C2 C1 C6 C12 -171.1(3) . .
K2 C1 C6 C12 65.3(3) . .
C3 C2 C7 C8 124.2(4) . .
C1 C2 C7 C8 -57.8(5) . .
C3 C2 C7 C10 5.3(6) . .
C1 C2 C7 C10 -176.8(4) . .
C3 C2 C7 C9 -114.3(4) . .
C1 C2 C7 C9 63.6(5) . .
C5 C6 C12 C14 101.2(4) . .
C1 C6 C12 C14 -79.7(4) . .
C23 N1 C13 C18 -141.5(4) . .
K1 N1 C13 C18 85.1(3) . .
K5 N1 C13 C18 -29.0(5) . .
C23 N1 C13 C14 45.3(5) . .
K1 N1 C13 C14 -88.1(4) . .
K5 N1 C13 C14 157.8(3) . .
C23 N1 C13 K2 131.1(3) . .
K1 N1 C13 K2 -2.3(3) . .
K5 N1 C13 K2 -116.4(2) . .
C23 N1 C13 K1 133.4(4) . .
K5 N1 C13 K1 -114.1(3) . .
O1 K2 C13 N1 -46.6(3) . .
O2 K2 C13 N1 52.2(3) . .
O5 K2 C13 N1 -146.3(2) . .
C15 K2 C13 N1 -151.2(3) . .
C14 K2 C13 N1 -119.5(4) . .
C17 K2 C13 N1 143.8(3) . .
C16 K2 C13 N1 176.1(3) . .
C1 K2 C13 N1 -70.5(3) . .
C18 K2 C13 N1 113.9(4) . .
C31 K2 C13 N1 75.8(3) . .
K1 K2 C13 N1 2.2(2) . .
O1 K2 C13 C18 -160.5(2) . .
O2 K2 C13 C18 -61.7(2) . .
O5 K2 C13 C18 99.8(2) . .
C15 K2 C13 C18 94.9(2) . .
C14 K2 C13 C18 126.6(3) . .
C17 K2 C13 C18 29.9(2) . .
C16 K2 C13 C18 62.2(2) . .
C1 K2 C13 C18 175.6(2) . .
C31 K2 C13 C18 -38.1(2) . .
K1 K2 C13 C18 -111.7(2) . .
O1 K2 C13 C14 72.9(2) . .
O2 K2 C13 C14 171.7(2) . .
O5 K2 C13 C14 -26.8(3) . .
C15 K2 C13 C14 -31.7(2) . .
C17 K2 C13 C14 -96.8(2) . .
C16 K2 C13 C14 -64.5(2) . .
C1 K2 C13 C14 48.9(2) . .
C18 K2 C13 C14 -126.6(3) . .
C31 K2 C13 C14 -164.7(2) . .
K1 K2 C13 C14 121.6(2) . .
O1 K2 C13 K1 -48.74(7) . .
O2 K2 C13 K1 50.04(7) . .
O5 K2 C13 K1 -148.49(12) . .
C15 K2 C13 K1 -153.36(15) . .
C14 K2 C13 K1 -121.6(2) . .
C17 K2 C13 K1 141.60(14) . .
C16 K2 C13 K1 173.88(13) . .
C1 K2 C13 K1 -72.70(9) . .
C18 K2 C13 K1 111.7(2) . .
C31 K2 C13 K1 73.61(8) . .
O1 K1 C13 N1 -126.0(2) . .
O2 K1 C13 N1 130.7(2) . .
C72 K1 C13 N1 36.3(3) . .
O4 K1 C13 N1 74.2(2) . .
C77 K1 C13 N1 12.5(3) . .
K2 K1 C13 N1 -177.8(2) . .
C73 K1 C13 N1 -4.8(7) . .
K3 K1 C13 N1 88.8(2) . .
K5 K1 C13 N1 33.07(19) . .
O1 K1 C13 C18 117.0(2) . .
O2 K1 C13 C18 13.7(2) . .
N1 K1 C13 C18 -117.0(3) . .
C72 K1 C13 C18 -80.6(3) . .
O4 K1 C13 C18 -42.7(3) . .
C77 K1 C13 C18 -104.5(2) . .
K2 K1 C13 C18 65.2(2) . .
C73 K1 C13 C18 -121.7(5) . .
K3 K1 C13 C18 -28.2(2) . .
K5 K1 C13 C18 -83.9(2) . .
O1 K1 C13 C14 -4.5(2) . .
O2 K1 C13 C14 -107.7(2) . .
N1 K1 C13 C14 121.6(4) . .
C72 K1 C13 C14 157.9(2) . .
O4 K1 C13 C14 -164.2(2) . .
C77 K1 C13 C14 134.1(2) . .
K2 K1 C13 C14 -56.2(2) . .
C73 K1 C13 C14 116.8(5) . .
K3 K1 C13 C14 -149.6(2) . .
K5 K1 C13 C14 154.6(3) . .
O1 K1 C13 K2 51.77(8) . .
O2 K1 C13 K2 -51.46(7) . .
N1 K1 C13 K2 177.8(2) . .
C72 K1 C13 K2 -145.84(19) . .
O4 K1 C13 K2 -107.95(11) . .
C77 K1 C13 K2 -169.70(10) . .
C73 K1 C13 K2 173.0(5) . .
K3 K1 C13 K2 -93.39(6) . .
K5 K1 C13 K2 -149.12(8) . .
N1 C13 C14 C15 -175.2(3) . .
C18 C13 C14 C15 11.4(5) . .
K2 C13 C14 C15 70.0(3) . .
K1 C13 C14 C15 123.1(3) . .
N1 C13 C14 C12 9.0(6) . .
C18 C13 C14 C12 -164.4(3) . .
K2 C13 C14 C12 -105.8(3) . .
K1 C13 C14 C12 -52.6(4) . .
N1 C13 C14 K2 114.8(3) . .
C18 C13 C14 K2 -58.6(3) . .
K1 C13 C14 K2 53.14(14) . .
C6 C12 C14 C15 -47.4(5) . .
C6 C12 C14 C13 128.4(4) . .
C6 C12 C14 K2 34.2(4) . .
O1 K2 C14 C15 139.1(2) . .
O2 K2 C14 C15 -131.0(2) . .
O5 K2 C14 C15 37.4(2) . .
C17 K2 C14 C15 -61.6(2) . .
C16 K2 C14 C15 -28.8(2) . .
C1 K2 C14 C15 112.8(2) . .
C18 K2 C14 C15 -94.0(3) . .
C13 K2 C14 C15 -122.9(3) . .
C31 K2 C14 C15 -107.7(2) . .
K1 K2 C14 C15 -172.0(2) . .
O1 K2 C14 C13 -98.0(2) . .
O2 K2 C14 C13 -8.1(2) . .
O5 K2 C14 C13 160.2(2) . .
C15 K2 C14 C13 122.9(3) . .
C17 K2 C14 C13 61.2(2) . .
C16 K2 C14 C13 94.1(2) . .
C1 K2 C14 C13 -124.3(2) . .
C18 K2 C14 C13 28.9(2) . .
C31 K2 C14 C13 15.2(2) . .
K1 K2 C14 C13 -49.1(2) . .
O1 K2 C14 C12 24.0(2) . .
O2 K2 C14 C12 113.8(2) . .
O5 K2 C14 C12 -77.8(2) . .
C15 K2 C14 C12 -115.1(3) . .
C17 K2 C14 C12 -176.8(3) . .
C16 K2 C14 C12 -143.9(3) . .
C1 K2 C14 C12 -2.3(2) . .
C18 K2 C14 C12 150.9(3) . .
C13 K2 C14 C12 122.0(3) . .
C31 K2 C14 C12 137.2(2) . .
K1 K2 C14 C12 72.9(2) . .
C13 C14 C15 C16 -4.0(6) . .
C12 C14 C15 C16 171.9(3) . .
K2 C14 C15 C16 71.2(4) . .
C13 C14 C15 K2 -75.3(3) . .
C12 C14 C15 K2 100.7(3) . .
O1 K2 C15 C16 -164.1(2) . .
O2 K2 C15 C16 -70.8(2) . .
O5 K2 C15 C16 87.2(2) . .
C14 K2 C15 C16 -126.8(3) . .
C17 K2 C15 C16 -31.3(2) . .
C1 K2 C15 C16 174.7(2) . .
C18 K2 C15 C16 -63.6(2) . .
C13 K2 C15 C16 -96.1(3) . .
C31 K2 C15 C16 -47.2(2) . .
K1 K2 C15 C16 -119.0(2) . .
O1 K2 C15 C14 -37.3(2) . .
O2 K2 C15 C14 56.1(2) . .
O5 K2 C15 C14 -145.9(2) . .
C17 K2 C15 C14 95.6(3) . .
C16 K2 C15 C14 126.8(3) . .
C1 K2 C15 C14 -58.4(2) . .
C18 K2 C15 C14 63.2(2) . .
C13 K2 C15 C14 30.7(2) . .
C31 K2 C15 C14 79.6(2) . .
K1 K2 C15 C14 7.9(2) . .
C14 C15 C16 C17 -4.2(6) . .
K2 C15 C16 C17 65.4(3) . .
C14 C15 C16 C19 178.3(4) . .
K2 C15 C16 C19 -112.2(4) . .
C14 C15 C16 K2 -69.5(3) . .
O1 K2 C16 C15 17.3(2) . .
O2 K2 C16 C15 118.5(2) . .
O5 K2 C16 C15 -92.9(2) . .
C14 K2 C16 C15 29.5(2) . .
C17 K2 C16 C15 122.3(3) . .
C1 K2 C16 C15 -5.3(2) . .
C18 K2 C16 C15 94.2(3) . .
C13 K2 C16 C15 62.2(2) . .
C31 K2 C16 C15 136.0(2) . .
K1 K2 C16 C15 67.8(2) . .
O1 K2 C16 C17 -105.0(2) . .
O2 K2 C16 C17 -3.8(2) . .
O5 K2 C16 C17 144.8(2) . .
C15 K2 C16 C17 -122.3(3) . .
C14 K2 C16 C17 -92.8(3) . .
C1 K2 C16 C17 -127.6(2) . .
C18 K2 C16 C17 -28.1(2) . .
C13 K2 C16 C17 -60.2(2) . .
C31 K2 C16 C17 13.6(2) . .
K1 K2 C16 C17 -54.6(2) . .
O1 K2 C16 C19 137.8(3) . .
O2 K2 C16 C19 -120.9(3) . .
O5 K2 C16 C19 27.6(3) . .
C15 K2 C16 C19 120.5(4) . .
C14 K2 C16 C19 150.0(3) . .
C17 K2 C16 C19 -117.1(4) . .
C1 K2 C16 C19 115.3(3) . .
C18 K2 C16 C19 -145.3(3) . .
C13 K2 C16 C19 -177.3(3) . .
C31 K2 C16 C19 -103.5(3) . .
K1 K2 C16 C19 -171.7(2) . .
C15 C16 C17 C18 4.7(6) . .
C19 C16 C17 C18 -177.6(4) . .
K2 C16 C17 C18 67.9(4) . .
C15 C16 C17 K2 -63.2(3) . .
C19 C16 C17 K2 114.5(3) . .
O1 K2 C17 C18 -41.0(2) . .
O2 K2 C17 C18 48.1(2) . .
O5 K2 C17 C18 -166.1(2) . .
C15 K2 C17 C18 -96.6(3) . .
C14 K2 C17 C18 -62.7(2) . .
C16 K2 C17 C18 -128.1(4) . .
C1 K2 C17 C18 -68.2(2) . .
C13 K2 C17 C18 -29.9(2) . .
C31 K2 C17 C18 66.8(2) . .
K1 K2 C17 C18 2.3(2) . .
O1 K2 C17 C16 87.1(2) . .
O2 K2 C17 C16 176.3(2) . .
O5 K2 C17 C16 -38.0(3) . .
C15 K2 C17 C16 31.6(2) . .
C14 K2 C17 C16 65.5(2) . .
C1 K2 C17 C16 60.0(3) . .
C18 K2 C17 C16 128.1(4) . .
C13 K2 C17 C16 98.2(3) . .
C31 K2 C17 C16 -165.0(3) . .
K1 K2 C17 C16 130.4(2) . .
C16 C17 C18 C13 3.1(6) . .
K2 C17 C18 C13 70.3(3) . .
C16 C17 C18 C30 -175.1(4) . .
K2 C17 C18 C30 -107.8(3) . .
C16 C17 C18 K2 -67.3(4) . .
N1 C13 C18 C17 175.2(3) . .
C14 C13 C18 C17 -11.0(5) . .
K2 C13 C18 C17 -67.4(3) . .
K1 C13 C18 C17 -125.9(3) . .
N1 C13 C18 C30 -6.7(5) . .
C14 C13 C18 C30 167.1(3) . .
K2 C13 C18 C30 110.7(3) . .
K1 C13 C18 C30 52.2(4) . .
N1 C13 C18 K2 -117.4(3) . .
C14 C13 C18 K2 56.4(3) . .
K1 C13 C18 K2 -58.49(11) . .
O1 K2 C18 C17 143.9(2) . .
O2 K2 C18 C17 -125.4(2) . .
O5 K2 C18 C17 18.5(3) . .
C15 K2 C18 C17 61.7(2) . .
C14 K2 C18 C17 95.8(3) . .
C16 K2 C18 C17 28.5(2) . .
C1 K2 C18 C17 120.6(2) . .
C13 K2 C18 C17 125.1(3) . .
C31 K2 C18 C17 -100.0(2) . .
K1 K2 C18 C17 -177.6(2) . .
O1 K2 C18 C13 18.8(2) . .
O2 K2 C18 C13 109.5(2) . .
O5 K2 C18 C13 -106.6(2) . .
C15 K2 C18 C13 -63.4(2) . .
C14 K2 C18 C13 -29.3(2) . .
C17 K2 C18 C13 -125.1(3) . .
C16 K2 C18 C13 -96.6(2) . .
C1 K2 C18 C13 -4.5(2) . .
C31 K2 C18 C13 134.9(2) . .
K1 K2 C18 C13 57.3(2) . .
O1 K2 C18 C30 -100.4(3) . .
O2 K2 C18 C30 -9.7(2) . .
O5 K2 C18 C30 134.2(2) . .
C15 K2 C18 C30 177.4(3) . .
C14 K2 C18 C30 -148.5(3) . .
C17 K2 C18 C30 115.7(4) . .
C16 K2 C18 C30 144.2(3) . .
C1 K2 C18 C30 -123.7(3) . .
C13 K2 C18 C30 -119.2(4) . .
C31 K2 C18 C30 15.7(2) . .
K1 K2 C18 C30 -61.9(2) . .
C15 C16 C19 C20 -5.3(5) . .
C17 C16 C19 C20 177.3(4) . .
K2 C16 C19 C20 -92.7(3) . .
C15 C16 C19 C22 116.1(4) . .
C17 C16 C19 C22 -61.4(5) . .
K2 C16 C19 C22 28.6(4) . .
C15 C16 C19 C21 -124.7(4) . .
C17 C16 C19 C21 57.9(5) . .
K2 C16 C19 C21 147.9(3) . .
C13 N1 C23 C24 -165.7(3) . .
K1 N1 C23 C24 -42.8(4) . .
K5 N1 C23 C24 60.4(3) . .
C13 N1 C23 C28 18.9(6) . .
K1 N1 C23 C28 141.8(3) . .
K5 N1 C23 C28 -115.0(4) . .
C13 N1 C23 K5 133.9(3) . .
K1 N1 C23 K5 -103.22(19) . .
O7 K5 C23 N1 -94.6(2) . .
O8 K5 C23 N1 149.7(2) . .
N2 K5 C23 N1 47.3(3) . .
C64 K5 C23 N1 28.1(4) . .
C24 K5 C23 N1 129.0(4) . .
C65 K5 C23 N1 -23.4(3) . .
C71 K5 C23 N1 79.4(2) . .
C30 K5 C23 N1 -18.3(2) . .
K1 K5 C23 N1 39.75(18) . .
K3 K5 C23 N1 25.9(2) . .
O7 K5 C23 C24 136.4(2) . .
O8 K5 C23 C24 20.7(3) . .
N2 K5 C23 C24 -81.8(3) . .
N1 K5 C23 C24 -129.0(4) . .
C64 K5 C23 C24 -100.9(3) . .
C65 K5 C23 C24 -152.4(2) . .
C71 K5 C23 C24 -49.6(2) . .
C30 K5 C23 C24 -147.3(2) . .
K1 K5 C23 C24 -89.3(2) . .
K3 K5 C23 C24 -103.2(2) . .
O7 K5 C23 C28 25.0(3) . .
O8 K5 C23 C28 -90.7(3) . .
N2 K5 C23 C28 166.8(3) . .
N1 K5 C23 C28 119.6(4) . .
C64 K5 C23 C28 147.7(3) . .
C24 K5 C23 C28 -111.4(4) . .
C65 K5 C23 C28 96.2(3) . .
C71 K5 C23 C28 -161.0(3) . .
C30 K5 C23 C28 101.3(3) . .
K1 K5 C23 C28 159.3(3) . .
K3 K5 C23 C28 145.5(3) . .
N1 C23 C24 C25 -177.7(4) . .
C28 C23 C24 C25 -1.8(6) . .
K5 C23 C24 C25 -121.5(4) . .
N1 C23 C24 K5 -56.1(3) . .
C28 C23 C24 K5 119.8(3) . .
O7 K5 C24 C25 75.5(3) . .
O8 K5 C24 C25 -39.7(3) . .
N2 K5 C24 C25 -121.2(3) . .
N1 K5 C24 C25 148.5(4) . .
C64 K5 C24 C25 -109.6(4) . .
C65 K5 C24 C25 -168.2(4) . .
C23 K5 C24 C25 120.8(5) . .
C71 K5 C24 C25 -112.2(3) . .
C30 K5 C24 C25 152.5(3) . .
K1 K5 C24 C25 -166.0(4) . .
K3 K5 C24 C25 -155.7(3) . .
O7 K5 C24 C23 -45.3(2) . .
O8 K5 C24 C23 -160.5(2) . .
N2 K5 C24 C23 118.0(2) . .
N1 K5 C24 C23 27.7(2) . .
C64 K5 C24 C23 129.6(3) . .
C65 K5 C24 C23 70.9(5) . .
C71 K5 C24 C23 127.0(2) . .
C30 K5 C24 C23 31.7(2) . .
K1 K5 C24 C23 73.2(2) . .
K3 K5 C24 C23 83.5(2) . .
C23 C24 C25 C26 0.4(7) . .
K5 C24 C25 C26 -96.0(4) . .
C24 C25 C26 C27 0.9(6) . .
C24 C25 C26 C29 -177.9(4) . .
C25 C26 C27 C28 -0.8(6) . .
C29 C26 C27 C28 178.1(4) . .
C26 C27 C28 C23 -0.7(6) . .
N1 C23 C28 C27 177.5(4) . .
C24 C23 C28 C27 1.9(6) . .
K5 C23 C28 C27 92.0(4) . .
C17 C18 C30 C36 39.0(5) . .
C13 C18 C30 C36 -139.2(4) . .
K2 C18 C30 C36 -46.4(4) . .
C17 C18 C30 K5 -153.3(3) . .
C13 C18 C30 K5 28.6(4) . .
K2 C18 C30 K5 121.31(15) . .
O7 K5 C30 C36 -123.8(4) . .
O8 K5 C30 C36 32.1(7) . .
N2 K5 C30 C36 8.4(4) . .
N1 K5 C30 C36 136.5(4) . .
C64 K5 C30 C36 -17.0(4) . .
C24 K5 C30 C36 132.9(4) . .
C65 K5 C30 C36 -36.7(4) . .
C23 K5 C30 C36 146.3(4) . .
C71 K5 C30 C36 60.0(4) . .
K1 K5 C30 C36 90.5(4) . .
K3 K5 C30 C36 26.5(3) . .
O7 K5 C30 C18 73.8(2) . .
O8 K5 C30 C18 -130.3(4) . .
N2 K5 C30 C18 -153.9(2) . .
N1 K5 C30 C18 -25.8(2) . .
C64 K5 C30 C18 -179.3(2) . .
C24 K5 C30 C18 -29.5(2) . .
C65 K5 C30 C18 160.9(3) . .
C23 K5 C30 C18 -16.1(2) . .
C71 K5 C30 C18 -102.3(2) . .
K1 K5 C30 C18 -71.9(2) . .
K3 K5 C30 C18 -135.9(3) . .
K1 O2 C31 C36 12.0(8) . .
K2 O2 C31 C36 -90.2(3) . .
K3 O2 C31 C36 81.6(3) . .
K1 O2 C31 C32 -166.3(4) . .
K2 O2 C31 C32 91.5(3) . .
K3 O2 C31 C32 -96.7(3) . .
K1 O2 C31 K3 -69.6(5) . .
K2 O2 C31 K3 -171.83(12) . .
K1 O2 C31 K2 102.2(5) . .
K3 O2 C31 K2 171.83(12) . .
O3 K3 C31 O2 -131.4(2) . .
O4 K3 C31 O2 -9.9(2) . .
N2 K3 C31 O2 95.4(2) . .
C36 K3 C31 O2 120.8(3) . .
C54 K3 C31 O2 78.8(3) . .
K4 K3 C31 O2 -45.5(3) . .
K1 K3 C31 O2 17.03(17) . .
K5 K3 C31 O2 78.8(2) . .
O3 K3 C31 C36 107.8(2) . .
O4 K3 C31 C36 -130.7(2) . .
N2 K3 C31 C36 -25.4(3) . .
O2 K3 C31 C36 -120.8(3) . .
C54 K3 C31 C36 -42.0(3) . .
K4 K3 C31 C36 -166.35(18) . .
K1 K3 C31 C36 -103.8(2) . .
K5 K3 C31 C36 -42.0(2) . .
O3 K3 C31 C32 -11.3(3) . .
O4 K3 C31 C32 110.2(3) . .
N2 K3 C31 C32 -144.4(2) . .
O2 K3 C31 C32 120.1(4) . .
C36 K3 C31 C32 -119.0(4) . .
C54 K3 C31 C32 -161.0(2) . .
K4 K3 C31 C32 74.6(3) . .
K1 K3 C31 C32 137.2(3) . .
K5 K3 C31 C32 -161.0(3) . .
O3 K3 C31 K2 -139.45(14) . .
O4 K3 C31 K2 -17.96(18) . .
N2 K3 C31 K2 87.38(19) . .
O2 K3 C31 K2 -8.06(12) . .
C36 K3 C31 K2 112.8(3) . .
C54 K3 C31 K2 70.8(3) . .
K4 K3 C31 K2 -53.6(2) . .
K1 K3 C31 K2 8.97(11) . .
K5 K3 C31 K2 70.76(15) . .
O1 K2 C31 O2 -16.4(3) . .
O5 K2 C31 O2 137.5(2) . .
C15 K2 C31 O2 -113.9(2) . .
C14 K2 C31 O2 -87.2(2) . .
C17 K2 C31 O2 -126.1(2) . .
C16 K2 C31 O2 -132.5(2) . .
C1 K2 C31 O2 -23.2(3) . .
C18 K2 C31 O2 -98.6(2) . .
C13 K2 C31 O2 -80.5(2) . .
K1 K2 C31 O2 -19.6(2) . .
O1 K2 C31 C36 98.0(3) . .
O2 K2 C31 C36 114.4(4) . .
O5 K2 C31 C36 -108.1(3) . .
C15 K2 C31 C36 0.5(3) . .
C14 K2 C31 C36 27.2(3) . .
C17 K2 C31 C36 -11.7(2) . .
C16 K2 C31 C36 -18.1(3) . .
C1 K2 C31 C36 91.2(3) . .
C18 K2 C31 C36 15.8(2) . .
C13 K2 C31 C36 33.9(2) . .
K1 K2 C31 C36 94.7(3) . .
O1 K2 C31 C32 -132.3(3) . .
O2 K2 C31 C32 -116.0(4) . .
O5 K2 C31 C32 21.5(3) . .
C15 K2 C31 C32 130.2(3) . .
C14 K2 C31 C32 156.9(3) . .
C17 K2 C31 C32 117.9(3) . .
C16 K2 C31 C32 111.5(3) . .
C1 K2 C31 C32 -139.2(3) . .
C18 K2 C31 C32 145.5(3) . .
C13 K2 C31 C32 163.6(3) . .
K1 K2 C31 C32 -135.6(3) . .
O1 K2 C31 K3 -6.6(2) . .
O2 K2 C31 K3 9.76(15) . .
O5 K2 C31 K3 147.27(14) . .
C15 K2 C31 K3 -104.10(17) . .
C14 K2 C31 K3 -77.40(17) . .
C17 K2 C31 K3 -116.35(18) . .
C16 K2 C31 K3 -122.78(16) . .
C1 K2 C31 K3 -13.5(3) . .
C18 K2 C31 K3 -88.80(18) . .
C13 K2 C31 K3 -70.70(16) . .
K1 K2 C31 K3 -9.89(13) . .
O2 C31 C32 C33 -176.8(3) . .
C36 C31 C32 C33 4.8(5) . .
K3 C31 C32 C33 103.3(3) . .
K2 C31 C32 C33 -119.0(3) . .
O2 C31 C32 C37 2.0(6) . .
C36 C31 C32 C37 -176.3(3) . .
K3 C31 C32 C37 -77.8(4) . .
K2 C31 C32 C37 59.8(4) . .
C31 C32 C33 C34 -3.2(6) . .
C37 C32 C33 C34 177.9(4) . .
C32 C33 C34 C35 -0.2(6) . .
C32 C33 C34 C41 178.8(4) . .
C33 C34 C35 C36 2.0(6) . .
C41 C34 C35 C36 -177.1(4) . .
C34 C35 C36 C31 -0.2(6) . .
C34 C35 C36 C30 172.6(4) . .
C34 C35 C36 K3 -75.0(4) . .
O2 C31 C36 C35 178.3(3) . .
C32 C31 C36 C35 -3.3(5) . .
K3 C31 C36 C35 -109.5(3) . .
K2 C31 C36 C35 121.7(3) . .
O2 C31 C36 C30 5.3(5) . .
C32 C31 C36 C30 -176.3(3) . .
K3 C31 C36 C30 77.4(3) . .
K2 C31 C36 C30 -51.3(4) . .
O2 C31 C36 K3 -72.1(3) . .
C32 C31 C36 K3 106.3(3) . .
K2 C31 C36 K3 -128.73(19) . .
C18 C30 C36 C35 -101.3(4) . .
K5 C30 C36 C35 96.7(5) . .
C18 C30 C36 C31 71.7(4) . .
K5 C30 C36 C31 -90.3(4) . .
C18 C30 C36 K3 132.6(3) . .
K5 C30 C36 K3 -29.4(4) . .
O3 K3 C36 C35 10.9(4) . .
O4 K3 C36 C35 171.4(3) . .
N2 K3 C36 C35 -88.6(3) . .
O2 K3 C36 C35 145.0(4) . .
C31 K3 C36 C35 112.3(4) . .
C54 K3 C36 C35 -94.1(3) . .
K4 K3 C36 C35 164.1(4) . .
K1 K3 C36 C35 180.0(3) . .
K5 K3 C36 C35 -112.5(3) . .
O3 K3 C36 C31 -101.4(3) . .
O4 K3 C36 C31 59.0(3) . .
N2 K3 C36 C31 159.1(2) . .
O2 K3 C36 C31 32.7(2) . .
C54 K3 C36 C31 153.6(2) . .
K4 K3 C36 C31 51.7(6) . .
K1 K3 C36 C31 67.6(2) . .
K5 K3 C36 C31 135.1(2) . .
O3 K3 C36 C30 138.2(2) . .
O4 K3 C36 C30 -61.3(2) . .
N2 K3 C36 C30 38.7(2) . .
O2 K3 C36 C30 -87.6(2) . .
C31 K3 C36 C30 -120.3(3) . .
C54 K3 C36 C30 33.2(3) . .
K4 K3 C36 C30 -68.6(6) . .
K1 K3 C36 C30 -52.7(2) . .
K5 K3 C36 C30 14.81(19) . .
C33 C32 C37 C39 -1.6(5) . .
C31 C32 C37 C39 179.6(4) . .
C33 C32 C37 C40 120.2(4) . .
C31 C32 C37 C40 -58.6(5) . .
C33 C32 C37 C38 -119.9(4) . .
C31 C32 C37 C38 61.4(5) . .
K3 O3 C42 C47 -18.7(13) . .
K4 O3 C42 C47 80.3(4) . .
K3 O3 C42 C43 161.3(8) . .
K4 O3 C42 C43 -99.8(4) . .
K3 O3 C42 K4 -99.0(10) . .
O4 K4 C42 O3 3.9(2) . .
O6 K4 C42 O3 -149.4(2) . .
C55 K4 C42 O3 92.9(2) . .
C59 K4 C42 O3 72.7(2) . .
C58 K4 C42 O3 97.2(2) . .
C56 K4 C42 O3 117.1(2) . .
C57 K4 C42 O3 119.1(2) . .
C54 K4 C42 O3 70.9(2) . .
C72 K4 C42 O3 13.0(3) . .
C87 K4 C42 O3 -162.2(2) . .
O4 K4 C42 C47 -116.4(2) . .
O6 K4 C42 C47 90.3(2) . .
O3 K4 C42 C47 -120.3(4) . .
C55 K4 C42 C47 -27.4(2) . .
C59 K4 C42 C47 -47.6(3) . .
C58 K4 C42 C47 -23.1(3) . .
C56 K4 C42 C47 -3.2(2) . .
C57 K4 C42 C47 -1.2(2) . .
C54 K4 C42 C47 -49.4(2) . .
C72 K4 C42 C47 -107.3(2) . .
C87 K4 C42 C47 77.5(2) . .
O4 K4 C42 C43 119.0(3) . .
O6 K4 C42 C43 -34.2(3) . .
O3 K4 C42 C43 115.2(4) . .
C55 K4 C42 C43 -152.0(3) . .
C59 K4 C42 C43 -172.2(3) . .
C58 K4 C42 C43 -147.7(3) . .
C56 K4 C42 C43 -127.7(3) . .
C57 K4 C42 C43 -125.8(3) . .
C54 K4 C42 C43 -174.0(3) . .
C72 K4 C42 C43 128.2(3) . .
C87 K4 C42 C43 -47.0(3) . .
O3 C42 C43 C44 173.9(4) . .
C47 C42 C43 C44 -6.1(6) . .
K4 C42 C43 C44 107.7(4) . .
O3 C42 C43 C48 -3.3(6) . .
C47 C42 C43 C48 176.6(4) . .
K4 C42 C43 C48 -69.6(4) . .
C42 C43 C44 C45 1.2(6) . .
C48 C43 C44 C45 178.4(4) . .
C42 C43 C44 K6 63.6(4) . .
C48 C43 C44 K6 -119.2(4) . .
O10 K6 C44 C45 -30.9(3) . .
O11A K6 C44 C45 39.1(13) . .
O9 K6 C44 C45 126.6(2) . .
O11B K6 C44 C45 44.8(11) . .
C46 K6 C44 C45 35.5(2) . .
C5 K6 C44 C45 -135.5(2) 1_445 .
C4 K6 C44 C45 -148.3(2) 1_445 .
C47 K6 C44 C45 68.7(2) . .
O10 K6 C44 C43 -156.9(2) . .
O11A K6 C44 C43 -86.8(12) . .
O9 K6 C44 C43 0.6(3) . .
O11B K6 C44 C43 -81.2(11) . .
C46 K6 C44 C43 -90.4(3) . .
C5 K6 C44 C43 98.6(3) 1_445 .
C45 K6 C44 C43 -126.0(4) . .
C4 K6 C44 C43 85.7(3) 1_445 .
C47 K6 C44 C43 -57.2(2) . .
C43 C44 C45 C46 2.8(6) . .
K6 C44 C45 C46 -74.6(3) . .
C43 C44 C45 C52 -175.5(4) . .
K6 C44 C45 C52 107.1(4) . .
C43 C44 C45 K6 77.4(4) . .
O10 K6 C45 C44 149.1(3) . .
O11A K6 C45 C44 -150.0(9) . .
O9 K6 C45 C44 -64.7(3) . .
O11B K6 C45 C44 -146.0(8) . .
C46 K6 C45 C44 -117.3(4) . .
C5 K6 C45 C44 61.2(3) 1_445 .
C4 K6 C45 C44 36.8(3) 1_445 .
C47 K6 C45 C44 -87.6(3) . .
O10 K6 C45 C46 -93.6(2) . .
O11A K6 C45 C46 -32.7(9) . .
O9 K6 C45 C46 52.7(3) . .
O11B K6 C45 C46 -28.6(8) . .
C5 K6 C45 C46 178.5(2) 1_445 .
C4 K6 C45 C46 154.2(2) 1_445 .
C47 K6 C45 C46 29.7(2) . .
C44 K6 C45 C46 117.3(4) . .
O10 K6 C45 C52 26.5(3) . .
O11A K6 C45 C52 87.4(9) . .
O9 K6 C45 C52 172.8(3) . .
O11B K6 C45 C52 91.4(8) . .
C46 K6 C45 C52 120.1(4) . .
C5 K6 C45 C52 -61.4(3) 1_445 .
C4 K6 C45 C52 -85.7(3) 1_445 .
C47 K6 C45 C52 149.8(3) . .
C44 K6 C45 C52 -122.6(4) . .
C44 C45 C46 C47 -1.7(6) . .
C52 C45 C46 C47 176.5(4) . .
K6 C45 C46 C47 -86.2(4) . .
C44 C45 C46 K6 84.4(3) . .
C52 C45 C46 K6 -97.3(4) . .
O10 K6 C46 C47 -155.2(3) . .
O11A K6 C46 C47 -87.1(9) . .
O9 K6 C46 C47 -14.4(3) . .
O11B K6 C46 C47 -83.1(8) . .
C5 K6 C46 C47 118.8(4) 1_445 .
C45 K6 C46 C47 122.5(4) . .
C4 K6 C46 C47 84.1(3) 1_445 .
C44 K6 C46 C47 90.3(3) . .
O10 K6 C46 C45 82.3(2) . .
O11A K6 C46 C45 150.5(9) . .
O9 K6 C46 C45 -136.9(2) . .
O11B K6 C46 C45 154.5(8) . .
C5 K6 C46 C45 -3.6(5) 1_445 .
C4 K6 C46 C45 -38.4(3) 1_445 .
C47 K6 C46 C45 -122.5(4) . .
C44 K6 C46 C45 -32.1(2) . .
C45 C46 C47 C42 -3.3(6) . .
K6 C46 C47 C42 -81.7(4) . .
C45 C46 C47 C53 176.0(4) . .
K6 C46 C47 C53 97.6(3) . .
C45 C46 C47 K6 78.3(4) . .
O3 C42 C47 C46 -172.9(4) . .
C43 C42 C47 C46 7.2(6) . .
K4 C42 C47 C46 -115.4(3) . .
O3 C42 C47 C53 7.8(5) . .
C43 C42 C47 C53 -172.1(3) . .
K4 C42 C47 C53 65.2(3) . .
O3 C42 C47 K6 124.1(3) . .
C43 C42 C47 K6 -55.8(4) . .
K4 C42 C47 K6 -178.45(10) . .
O10 K6 C47 C46 25.3(3) . .
O11A K6 C47 C46 93.4(10) . .
O9 K6 C47 C46 166.2(3) . .
O11B K6 C47 C46 97.5(8) . .
C5 K6 C47 C46 -138.1(3) 1_445 .
C45 K6 C47 C46 -32.6(2) . .
C4 K6 C47 C46 -122.2(3) 1_445 .
C44 K6 C47 C46 -65.6(2) . .
O10 K6 C47 C42 146.2(2) . .
O11A K6 C47 C42 -145.7(10) . .
O9 K6 C47 C42 -73.0(2) . .
O11B K6 C47 C42 -141.6(8) . .
C46 K6 C47 C42 120.8(4) . .
C5 K6 C47 C42 -17.2(4) 1_445 .
C45 K6 C47 C42 88.2(3) . .
C4 K6 C47 C42 -1.3(3) 1_445 .
C44 K6 C47 C42 55.2(2) . .
O10 K6 C47 C53 -91.2(2) . .
O11A K6 C47 C53 -23.1(10) . .
O9 K6 C47 C53 49.7(2) . .
O11B K6 C47 C53 -19.0(8) . .
C46 K6 C47 C53 -116.5(4) . .
C5 K6 C47 C53 105.4(3) 1_445 .
C45 K6 C47 C53 -149.1(3) . .
C4 K6 C47 C53 121.3(2) 1_445 .
C44 K6 C47 C53 177.9(3) . .
C44 C43 C48 C50 122.1(4) . .
C42 C43 C48 C50 -60.8(5) . .
C44 C43 C48 C51 2.8(6) . .
C42 C43 C48 C51 180.0(4) . .
C44 C43 C48 C49 -117.2(4) . .
C42 C43 C48 C49 60.0(5) . .
C46 C47 C53 C55 102.6(4) . .
C42 C47 C53 C55 -78.1(4) . .
K6 C47 C53 C55 172.9(2) . .
C64 N2 C54 C55 46.8(5) . .
K3 N2 C54 C55 -91.8(4) . .
K5 N2 C54 C55 151.0(3) . .
C64 N2 C54 C59 -137.4(4) . .
K3 N2 C54 C59 83.9(3) . .
K5 N2 C54 C59 -33.3(4) . .
C64 N2 C54 K4 136.4(3) . .
K3 N2 C54 K4 -2.3(3) . .
K5 N2 C54 K4 -119.5(2) . .
C64 N2 C54 K3 138.7(4) . .
K5 N2 C54 K3 -117.2(3) . .
O4 K4 C54 N2 50.7(3) . .
O6 K4 C54 N2 -147.1(3) . .
O3 K4 C54 N2 -46.9(3) . .
C55 K4 C54 N2 -120.8(4) . .
C59 K4 C54 N2 113.2(4) . .
C58 K4 C54 N2 143.6(3) . .
C56 K4 C54 N2 -151.9(3) . .
C42 K4 C54 N2 -70.8(3) . .
C57 K4 C54 N2 176.0(3) . .
C72 K4 C54 N2 74.1(3) . .
C87 K4 C54 N2 -132.5(3) . .
O4 K4 C54 C55 171.5(2) . .
O6 K4 C54 C55 -26.3(3) . .
O3 K4 C54 C55 73.9(2) . .
C59 K4 C54 C55 -126.0(3) . .
C58 K4 C54 C55 -95.6(2) . .
C56 K4 C54 C55 -31.1(2) . .
C42 K4 C54 C55 50.0(2) . .
C57 K4 C54 C55 -63.2(2) . .
C72 K4 C54 C55 -165.1(2) . .
C87 K4 C54 C55 -11.7(3) . .
O4 K4 C54 C59 -62.5(2) . .
O6 K4 C54 C59 99.7(2) . .
O3 K4 C54 C59 -160.1(2) . .
C55 K4 C54 C59 126.0(3) . .
C58 K4 C54 C59 30.4(2) . .
C56 K4 C54 C59 94.9(2) . .
C42 K4 C54 C59 176.0(2) . .
C57 K4 C54 C59 62.8(2) . .
C72 K4 C54 C59 -39.1(2) . .
C87 K4 C54 C59 114.3(2) . .
O4 K4 C54 K3 48.56(7) . .
O6 K4 C54 K3 -149.17(13) . .
O3 K4 C54 K3 -49.00(7) . .
C55 K4 C54 K3 -122.9(2) . .
C59 K4 C54 K3 111.1(2) . .
C58 K4 C54 K3 141.47(14) . .
C56 K4 C54 K3 -153.99(15) . .
C42 K4 C54 K3 -72.87(9) . .
C57 K4 C54 K3 173.95(13) . .
C72 K4 C54 K3 71.98(9) . .
C87 K4 C54 K3 -134.58(11) . .
O3 K3 C54 N2 -125.0(2) . .
O4 K3 C54 N2 132.3(2) . .
O2 K3 C54 N2 72.0(3) . .
C31 K3 C54 N2 33.9(3) . .
C36 K3 C54 N2 12.9(3) . .
K4 K3 C54 N2 -177.9(2) . .
K1 K3 C54 N2 88.5(2) . .
K5 K3 C54 N2 33.94(19) . .
O3 K3 C54 C55 -5.2(2) . .
O4 K3 C54 C55 -107.8(3) . .
N2 K3 C54 C55 119.9(4) . .
O2 K3 C54 C55 -168.1(2) . .
C31 K3 C54 C55 153.8(2) . .
C36 K3 C54 C55 132.8(2) . .
K4 K3 C54 C55 -58.0(2) . .
K1 K3 C54 C55 -151.6(2) . .
K5 K3 C54 C55 153.8(3) . .
O3 K3 C54 C59 117.6(2) . .
O4 K3 C54 C59 15.0(2) . .
N2 K3 C54 C59 -117.4(3) . .
O2 K3 C54 C59 -45.3(3) . .
C31 K3 C54 C59 -83.4(3) . .
C36 K3 C54 C59 -104.4(2) . .
K4 K3 C54 C59 64.8(2) . .
K1 K3 C54 C59 -28.9(2) . .
K5 K3 C54 C59 -83.4(2) . .
O3 K3 C54 K4 52.84(7) . .
O4 K3 C54 K4 -49.80(7) . .
N2 K3 C54 K4 177.9(2) . .
O2 K3 C54 K4 -110.10(11) . .
C31 K3 C54 K4 -148.20(18) . .
C36 K3 C54 K4 -169.18(9) . .
K1 K3 C54 K4 -93.63(5) . .
K5 K3 C54 K4 -148.18(9) . .
N2 C54 C55 C56 -171.8(3) . .
C59 C54 C55 C56 12.3(5) . .
K4 C54 C55 C56 71.3(3) . .
K3 C54 C55 C56 125.6(3) . .
N2 C54 C55 C53 11.1(6) . .
C59 C54 C55 C53 -164.7(3) . .
K4 C54 C55 C53 -105.7(3) . .
K3 C54 C55 C53 -51.5(4) . .
N2 C54 C55 K4 116.8(3) . .
C59 C54 C55 K4 -59.0(3) . .
K3 C54 C55 K4 54.27(15) . .
C47 C53 C55 C56 -52.0(5) . .
C47 C53 C55 C54 125.1(4) . .
C47 C53 C55 K4 33.7(4) . .
O4 K4 C55 C56 -131.5(2) . .
O6 K4 C55 C56 38.0(2) . .
O3 K4 C55 C56 140.6(2) . .
C59 K4 C55 C56 -93.6(2) . .
C58 K4 C55 C56 -60.8(2) . .
C42 K4 C55 C56 114.4(2) . .
C57 K4 C55 C56 -28.2(2) . .
C54 K4 C55 C56 -123.1(3) . .
C72 K4 C55 C56 -108.1(2) . .
C87 K4 C55 C56 46.7(2) . .
O4 K4 C55 C54 -8.4(2) . .
O6 K4 C55 C54 161.1(2) . .
O3 K4 C55 C54 -96.2(2) . .
C59 K4 C55 C54 29.6(2) . .
C58 K4 C55 C54 62.4(2) . .
C56 K4 C55 C54 123.1(3) . .
C42 K4 C55 C54 -122.5(2) . .
C57 K4 C55 C54 94.9(2) . .
C72 K4 C55 C54 15.0(2) . .
C87 K4 C55 C54 169.9(2) . .
O4 K4 C55 C53 111.6(2) . .
O6 K4 C55 C53 -78.8(2) . .
O3 K4 C55 C53 23.8(2) . .
C59 K4 C55 C53 149.6(3) . .
C58 K4 C55 C53 -177.6(3) . .
C56 K4 C55 C53 -116.8(3) . .
C42 K4 C55 C53 -2.5(2) . .
C57 K4 C55 C53 -145.0(3) . .
C54 K4 C55 C53 120.0(3) . .
C72 K4 C55 C53 135.0(2) . .
C87 K4 C55 C53 -70.1(2) . .
C54 C55 C56 C57 -4.2(6) . .
C53 C55 C56 C57 172.9(3) . .
K4 C55 C56 C57 69.5(3) . .
C54 C55 C56 K4 -73.7(3) . .
C53 C55 C56 K4 103.4(3) . .
O4 K4 C56 C57 -72.0(2) . .
O6 K4 C56 C57 86.6(2) . .
O3 K4 C56 C57 -163.2(2) . .
C55 K4 C56 C57 -127.6(3) . .
C59 K4 C56 C57 -63.4(2) . .
C58 K4 C56 C57 -30.6(2) . .
C42 K4 C56 C57 175.5(2) . .
C54 K4 C56 C57 -96.6(2) . .
C72 K4 C56 C57 -48.0(2) . .
C87 K4 C56 C57 100.5(2) . .
O4 K4 C56 C55 55.6(2) . .
O6 K4 C56 C55 -145.8(2) . .
O3 K4 C56 C55 -35.6(2) . .
C59 K4 C56 C55 64.2(2) . .
C58 K4 C56 C55 97.1(2) . .
C42 K4 C56 C55 -56.8(2) . .
C57 K4 C56 C55 127.6(3) . .
C54 K4 C56 C55 31.0(2) . .
C72 K4 C56 C55 79.6(2) . .
C87 K4 C56 C55 -131.9(2) . .
C55 C56 C57 C58 -5.5(5) . .
K4 C56 C57 C58 61.4(3) . .
C55 C56 C57 C60 174.8(3) . .
K4 C56 C57 C60 -118.3(3) . .
C55 C56 C57 K4 -66.9(3) . .
O4 K4 C57 C56 117.5(2) . .
O6 K4 C57 C56 -94.5(2) . .
O3 K4 C57 C56 18.0(2) . .
C55 K4 C57 C56 29.0(2) . .
C59 K4 C57 C56 95.0(2) . .
C58 K4 C57 C56 124.2(3) . .
C42 K4 C57 C56 -4.4(2) . .
C54 K4 C57 C56 61.9(2) . .
C72 K4 C57 C56 135.7(2) . .
C87 K4 C57 C56 -75.0(2) . .
O4 K4 C57 C58 -6.6(2) . .
O6 K4 C57 C58 141.3(2) . .
O3 K4 C57 C58 -106.1(2) . .
C55 K4 C57 C58 -95.2(2) . .
C59 K4 C57 C58 -29.2(2) . .
C56 K4 C57 C58 -124.2(3) . .
C42 K4 C57 C58 -128.6(2) . .
C54 K4 C57 C58 -62.2(2) . .
C72 K4 C57 C58 11.5(2) . .
C87 K4 C57 C58 160.8(2) . .
O4 K4 C57 C60 -121.9(3) . .
O6 K4 C57 C60 26.1(3) . .
O3 K4 C57 C60 138.6(3) . .
C55 K4 C57 C60 149.6(3) . .
C59 K4 C57 C60 -144.4(3) . .
C58 K4 C57 C60 -115.2(4) . .
C56 K4 C57 C60 120.6(4) . .
C42 K4 C57 C60 116.2(3) . .
C54 K4 C57 C60 -177.4(3) . .
C72 K4 C57 C60 -103.7(3) . .
C87 K4 C57 C60 45.6(3) . .
C56 C57 C58 C59 6.8(6) . .
C60 C57 C58 C59 -173.5(3) . .
K4 C57 C58 C59 68.4(3) . .
C56 C57 C58 K4 -61.7(3) . .
C60 C57 C58 K4 118.0(3) . .
O4 K4 C58 C59 46.9(2) . .
O6 K4 C58 C59 -168.8(2) . .
O3 K4 C58 C59 -41.7(2) . .
C55 K4 C58 C59 -63.6(2) . .
C56 K4 C58 C59 -96.5(3) . .
C42 K4 C58 C59 -68.4(2) . .
C57 K4 C58 C59 -126.7(3) . .
C54 K4 C58 C59 -30.6(2) . .
C72 K4 C58 C59 65.8(2) . .
C87 K4 C58 C59 -146.6(2) . .
O4 K4 C58 C57 173.6(2) . .
O6 K4 C58 C57 -42.0(2) . .
O3 K4 C58 C57 85.0(2) . .
C55 K4 C58 C57 63.2(2) . .
C59 K4 C58 C57 126.7(3) . .
C56 K4 C58 C57 30.2(2) . .
C42 K4 C58 C57 58.4(2) . .
C54 K4 C58 C57 96.1(2) . .
C72 K4 C58 C57 -167.5(2) . .
C87 K4 C58 C57 -19.9(2) . .
C57 C58 C59 C54 1.7(6) . .
K4 C58 C59 C54 72.3(3) . .
C57 C58 C59 C71 -179.1(3) . .
K4 C58 C59 C71 -108.4(3) . .
C57 C58 C59 K4 -70.7(3) . .
N2 C54 C59 C58 172.7(3) . .
C55 C54 C59 C58 -11.1(5) . .
K4 C54 C59 C58 -69.9(3) . .
K3 C54 C59 C58 -129.6(3) . .
N2 C54 C59 C71 -6.5(5) . .
C55 C54 C59 C71 169.6(3) . .
K4 C54 C59 C71 110.9(3) . .
K3 C54 C59 C71 51.2(4) . .
N2 C54 C59 K4 -117.4(3) . .
C55 C54 C59 K4 58.7(3) . .
K3 C54 C59 K4 -59.70(11) . .
O4 K4 C59 C58 -127.2(2) . .
O6 K4 C59 C58 15.2(3) . .
O3 K4 C59 C58 143.1(2) . .
C55 K4 C59 C58 94.6(2) . .
C56 K4 C59 C58 61.3(2) . .
C42 K4 C59 C58 120.1(2) . .
C57 K4 C59 C58 29.0(2) . .
C54 K4 C59 C58 124.1(3) . .
C72 K4 C59 C58 -101.8(2) . .
C87 K4 C59 C58 41.5(3) . .
O4 K4 C59 C54 108.7(2) . .
O6 K4 C59 C54 -108.9(2) . .
O3 K4 C59 C54 18.9(2) . .
C55 K4 C59 C54 -29.48(19) . .
C58 K4 C59 C54 -124.1(3) . .
C56 K4 C59 C54 -62.8(2) . .
C42 K4 C59 C54 -4.0(2) . .
C57 K4 C59 C54 -95.2(2) . .
C72 K4 C59 C54 134.0(2) . .
C87 K4 C59 C54 -82.6(2) . .
O4 K4 C59 C71 -11.0(2) . .
O6 K4 C59 C71 131.4(2) . .
O3 K4 C59 C71 -100.8(2) . .
C55 K4 C59 C71 -149.2(3) . .
C58 K4 C59 C71 116.2(4) . .
C56 K4 C59 C71 177.5(3) . .
C42 K4 C59 C71 -123.7(2) . .
C57 K4 C59 C71 145.1(3) . .
C54 K4 C59 C71 -119.7(4) . .
C72 K4 C59 C71 14.3(2) . .
C87 K4 C59 C71 157.7(2) . .
C56 C57 C60 C63 -2.5(5) . .
C58 C57 C60 C63 177.9(3) . .
K4 C57 C60 C63 -94.0(3) . .
C56 C57 C60 C61 118.7(4) . .
C58 C57 C60 C61 -61.0(5) . .
K4 C57 C60 C61 27.2(4) . .
C56 C57 C60 C62 -121.7(4) . .
C58 C57 C60 C62 58.6(5) . .
K4 C57 C60 C62 146.8(3) . .
C54 N2 C64 C65 -165.5(3) . .
K3 N2 C64 C65 -38.4(5) . .
K5 N2 C64 C65 67.3(3) . .
C54 N2 C64 C69 21.2(6) . .
K3 N2 C64 C69 148.2(3) . .
K5 N2 C64 C69 -106.0(4) . .
C54 N2 C64 K5 127.2(3) . .
K3 N2 C64 K5 -105.8(2) . .
O7 K5 C64 N2 152.6(2) . .
O8 K5 C64 N2 -92.7(2) . .
N1 K5 C64 N2 49.2(3) . .
C24 K5 C64 N2 -22.3(3) . .
C65 K5 C64 N2 125.5(3) . .
C23 K5 C64 N2 33.4(4) . .
C71 K5 C64 N2 -19.7(2) . .
C30 K5 C64 N2 77.9(2) . .
K1 K5 C64 N2 23.8(2) . .
K3 K5 C64 N2 36.09(18) . .
O7 K5 C64 C65 27.1(3) . .
O8 K5 C64 C65 141.8(2) . .
N2 K5 C64 C65 -125.5(3) . .
N1 K5 C64 C65 -76.2(3) . .
C24 K5 C64 C65 -147.7(2) . .
C23 K5 C64 C65 -92.1(3) . .
C71 K5 C64 C65 -145.2(2) . .
C30 K5 C64 C65 -47.6(2) . .
K1 K5 C64 C65 -101.7(2) . .
K3 K5 C64 C65 -89.4(2) . .
O7 K5 C64 C69 -85.6(3) . .
O8 K5 C64 C69 29.0(3) . .
N2 K5 C64 C69 121.8(4) . .
N1 K5 C64 C69 171.0(2) . .
C24 K5 C64 C69 99.5(3) . .
C65 K5 C64 C69 -112.8(4) . .
C23 K5 C64 C69 155.1(3) . .
C71 K5 C64 C69 102.1(3) . .
C30 K5 C64 C69 -160.4(3) . .
K1 K5 C64 C69 145.6(3) . .
K3 K5 C64 C69 157.9(3) . .
N2 C64 C65 C66 -172.8(4) . .
C69 C64 C65 C66 1.3(6) . .
K5 C64 C65 C66 -111.3(4) . .
N2 C64 C65 K5 -61.5(3) . .
C69 C64 C65 K5 112.6(3) . .
O7 K5 C65 C66 -35.3(3) . .
O8 K5 C65 C66 79.2(3) . .
N2 K5 C65 C66 148.4(4) . .
N1 K5 C65 C66 -119.0(3) . .
C64 K5 C65 C66 118.5(4) . .
C24 K5 C65 C66 -154.2(4) . .
C23 K5 C65 C66 -107.4(3) . .
C71 K5 C65 C66 152.8(3) . .
C30 K5 C65 C66 -112.7(3) . .
K1 K5 C65 C66 -156.1(3) . .
K3 K5 C65 C66 -168.4(3) . .
O7 K5 C65 C64 -153.8(2) . .
O8 K5 C65 C64 -39.3(2) . .
N2 K5 C65 C64 29.9(2) . .
N1 K5 C65 C64 122.5(2) . .
C24 K5 C65 C64 87.3(4) . .
C23 K5 C65 C64 134.1(2) . .
C71 K5 C65 C64 34.3(2) . .
C30 K5 C65 C64 128.8(2) . .
K1 K5 C65 C64 85.3(2) . .
K3 K5 C65 C64 73.1(2) . .
C64 C65 C66 C67 1.0(6) . .
K5 C65 C66 C67 -85.2(4) . .
C65 C66 C67 C68 -2.6(6) . .
C65 C66 C67 C70 177.0(4) . .
C66 C67 C68 C69 1.8(6) . .
C70 C67 C68 C69 -177.8(4) . .
C67 C68 C69 C64 0.5(6) . .
N2 C64 C69 C68 171.5(4) . .
C65 C64 C69 C68 -2.1(5) . .
K5 C64 C69 C68 89.1(4) . .
C58 C59 C71 C77 42.3(5) . .
C54 C59 C71 C77 -138.5(4) . .
K4 C59 C71 C77 -45.0(4) . .
C58 C59 C71 K5 -147.2(3) . .
C54 C59 C71 K5 32.1(4) . .
K4 C59 C71 K5 125.61(15) . .
O7 K5 C71 C77 33.3(9) . .
O8 K5 C71 C77 -125.4(4) . .
N2 K5 C71 C77 136.7(4) . .
N1 K5 C71 C77 10.6(4) . .
C64 K5 C71 C77 147.3(4) . .
C24 K5 C71 C77 -34.1(4) . .
C65 K5 C71 C77 132.8(4) . .
C23 K5 C71 C77 -14.2(4) . .
C30 K5 C71 C77 60.7(4) . .
K1 K5 C71 C77 27.7(4) . .
K3 K5 C71 C77 92.6(4) . .
O7 K5 C71 C59 -133.0(6) . .
O8 K5 C71 C59 68.3(2) . .
N2 K5 C71 C59 -29.6(2) . .
N1 K5 C71 C59 -155.7(2) . .
C64 K5 C71 C59 -19.0(2) . .
C24 K5 C71 C59 159.6(3) . .
C65 K5 C71 C59 -33.5(2) . .
C23 K5 C71 C59 179.5(2) . .
C30 K5 C71 C59 -105.6(2) . .
K1 K5 C71 C59 -138.6(3) . .
K3 K5 C71 C59 -73.7(2) . .
K3 O4 C72 C73 -157.8(4) . .
K4 O4 C72 C73 94.1(3) . .
K1 O4 C72 C73 -97.3(3) . .
K3 O4 C72 C77 18.7(7) . .
K4 O4 C72 C77 -89.3(3) . .
K1 O4 C72 C77 79.3(3) . .
K3 O4 C72 K1 -60.5(5) . .
K4 O4 C72 K1 -168.61(11) . .
K3 O4 C72 K4 108.1(5) . .
K1 O4 C72 K4 168.61(11) . .
O1 K1 C72 O4 -128.82(19) . .
O2 K1 C72 O4 -10.6(2) . .
N1 K1 C72 O4 93.5(2) . .
C77 K1 C72 O4 120.5(3) . .
C13 K1 C72 O4 75.2(3) . .
K2 K1 C72 O4 -49.7(3) . .
C73 K1 C72 O4 -122.1(4) . .
K3 K1 C72 O4 16.00(17) . .
K5 K1 C72 O4 78.03(19) . .
O1 K1 C72 C73 -6.7(3) . .
O2 K1 C72 C73 111.5(2) . .
N1 K1 C72 C73 -144.4(2) . .
O4 K1 C72 C73 122.1(4) . .
C77 K1 C72 C73 -117.4(4) . .
C13 K1 C72 C73 -162.6(2) . .
K2 K1 C72 C73 72.5(3) . .
K3 K1 C72 C73 138.1(3) . .
K5 K1 C72 C73 -159.8(2) . .
O1 K1 C72 C77 110.7(2) . .
O2 K1 C72 C77 -131.0(2) . .
N1 K1 C72 C77 -27.0(3) . .
O4 K1 C72 C77 -120.5(3) . .
C13 K1 C72 C77 -45.2(3) . .
K2 K1 C72 C77 -170.13(17) . .
C73 K1 C72 C77 117.4(4) . .
K3 K1 C72 C77 -104.5(2) . .
K5 K1 C72 C77 -42.4(2) . .
O1 K1 C72 K4 -140.26(14) . .
O2 K1 C72 K4 -22.02(18) . .
N1 K1 C72 K4 82.05(19) . .
O4 K1 C72 K4 -11.44(12) . .
C77 K1 C72 K4 109.0(3) . .
C13 K1 C72 K4 63.8(3) . .
K2 K1 C72 K4 -61.1(2) . .
C73 K1 C72 K4 -133.6(3) . .
K3 K1 C72 K4 4.55(12) . .
K5 K1 C72 K4 66.59(15) . .
O6 K4 C72 O4 135.6(2) . .
O3 K4 C72 O4 -15.5(2) . .
C55 K4 C72 O4 -85.6(2) . .
C59 K4 C72 O4 -97.7(2) . .
C58 K4 C72 O4 -125.0(2) . .
C56 K4 C72 O4 -111.9(2) . .
C42 K4 C72 O4 -21.3(3) . .
C57 K4 C72 O4 -130.4(2) . .
C54 K4 C72 O4 -79.0(2) . .
C87 K4 C72 O4 149.8(2) . .
O4 K4 C72 C73 -115.7(4) . .
O6 K4 C72 C73 19.9(3) . .
O3 K4 C72 C73 -131.3(3) . .
C55 K4 C72 C73 158.6(3) . .
C59 K4 C72 C73 146.6(3) . .
C58 K4 C72 C73 119.3(3) . .
C56 K4 C72 C73 132.4(3) . .
C42 K4 C72 C73 -137.0(3) . .
C57 K4 C72 C73 113.9(3) . .
C54 K4 C72 C73 165.2(3) . .
C87 K4 C72 C73 34.0(4) . .
O4 K4 C72 C77 113.8(4) . .
O6 K4 C72 C77 -110.6(3) . .
O3 K4 C72 C77 98.3(2) . .
C55 K4 C72 C77 28.1(3) . .
C59 K4 C72 C77 16.1(2) . .
C58 K4 C72 C77 -11.2(2) . .
C56 K4 C72 C77 1.9(3) . .
C42 K4 C72 C77 92.5(3) . .
C57 K4 C72 C77 -16.6(3) . .
C54 K4 C72 C77 34.7(2) . .
C87 K4 C72 C77 -96.5(3) . .
O4 K4 C72 K1 14.24(15) . .
O6 K4 C72 K1 149.83(14) . .
O3 K4 C72 K1 -1.3(2) . .
C55 K4 C72 K1 -71.41(18) . .
C59 K4 C72 K1 -83.46(18) . .
C58 K4 C72 K1 -110.77(18) . .
C56 K4 C72 K1 -97.64(17) . .
C42 K4 C72 K1 -7.1(3) . .
C57 K4 C72 K1 -116.11(17) . .
C54 K4 C72 K1 -64.81(16) . .
C87 K4 C72 K1 164.00(17) . .
O4 C72 C73 C74 177.1(3) . .
C77 C72 C73 C74 0.5(5) . .
K1 C72 C73 C74 93.6(4) . .
K4 C72 C73 C74 -124.4(3) . .
O4 C72 C73 C78 -0.8(6) . .
C77 C72 C73 C78 -177.4(3) . .
K1 C72 C73 C78 -84.3(4) . .
K4 C72 C73 C78 57.7(4) . .
O4 C72 C73 K1 83.5(3) . .
C77 C72 C73 K1 -93.1(3) . .
K4 C72 C73 K1 142.0(3) . .
O1 K1 C73 C74 62.9(3) . .
O2 K1 C73 C74 171.8(2) . .
N1 K1 C73 C74 -58.8(3) . .
C72 K1 C73 C74 -112.0(4) . .
O4 K1 C73 C74 -145.2(3) . .
C77 K1 C73 C74 -75.6(3) . .
C13 K1 C73 C74 -55.3(6) . .
K2 K1 C73 C74 116.7(2) . .
K3 K1 C73 C74 -149.9(3) . .
K5 K1 C73 C74 -90.0(3) . .
O1 K1 C73 C72 174.9(2) . .
O2 K1 C73 C72 -76.3(3) . .
N1 K1 C73 C72 53.2(3) . .
O4 K1 C73 C72 -33.2(2) . .
C77 K1 C73 C72 36.3(2) . .
C13 K1 C73 C72 56.7(6) . .
K2 K1 C73 C72 -131.4(2) . .
K3 K1 C73 C72 -38.0(2) . .
K5 K1 C73 C72 21.9(3) . .
O1 K1 C73 C78 -66.8(2) . .
O2 K1 C73 C78 42.1(3) . .
N1 K1 C73 C78 171.6(2) . .
C72 K1 C73 C78 118.4(4) . .
O4 K1 C73 C78 85.1(2) . .
C77 K1 C73 C78 154.7(3) . .
C13 K1 C73 C78 175.0(5) . .
K2 K1 C73 C78 -13.0(3) . .
K3 K1 C73 C78 80.4(2) . .
K5 K1 C73 C78 140.3(2) . .
C72 C73 C74 C75 -0.9(6) . .
C78 C73 C74 C75 177.0(4) . .
K1 C73 C74 C75 57.5(4) . .
C73 C74 C75 C76 1.0(6) . .
C73 C74 C75 C82 -179.7(4) . .
C74 C75 C76 C77 -0.6(6) . .
C82 C75 C76 C77 -180.0(4) . .
C75 C76 C77 C72 0.3(6) . .
C75 C76 C77 C71 177.9(3) . .
C75 C76 C77 K1 -74.8(4) . .
O4 C72 C77 C76 -177.0(3) . .
C73 C72 C77 C76 -0.2(5) . .
K1 C72 C77 C76 -103.1(3) . .
K4 C72 C77 C76 127.7(3) . .
O4 C72 C77 C71 5.4(5) . .
C73 C72 C77 C71 -177.9(3) . .
K1 C72 C77 C71 79.3(3) . .
K4 C72 C77 C71 -50.0(4) . .
O4 C72 C77 K1 -73.9(3) . .
C73 C72 C77 K1 102.9(3) . .
K4 C72 C77 K1 -129.27(18) . .
C59 C71 C77 C76 -107.5(4) . .
K5 C71 C77 C76 86.8(5) . .
C59 C71 C77 C72 70.2(4) . .
K5 C71 C77 C72 -95.5(4) . .
C59 C71 C77 K1 134.4(3) . .
K5 C71 C77 K1 -31.3(4) . .
O1 K1 C77 C76 17.6(3) . .
O2 K1 C77 C76 173.8(2) . .
N1 K1 C77 C76 -86.3(3) . .
C72 K1 C77 C76 115.3(4) . .
O4 K1 C77 C76 147.5(3) . .
C13 K1 C77 C76 -91.6(3) . .
K2 K1 C77 C76 150.9(4) . .
C73 K1 C77 C76 83.9(3) . .
K3 K1 C77 C76 -178.1(3) . .
K5 K1 C77 C76 -110.1(3) . .
O1 K1 C77 C72 -97.7(2) . .
O2 K1 C77 C72 58.6(2) . .
N1 K1 C77 C72 158.5(2) . .
O4 K1 C77 C72 32.2(2) . .
C13 K1 C77 C72 153.1(2) . .
K2 K1 C77 C72 35.6(6) . .
C73 K1 C77 C72 -31.4(2) . .
K3 K1 C77 C72 66.6(2) . .
K5 K1 C77 C72 134.6(2) . .
O1 K1 C77 C71 142.7(2) . .
O2 K1 C77 C71 -61.0(2) . .
N1 K1 C77 C71 38.9(2) . .
C72 K1 C77 C71 -119.6(3) . .
O4 K1 C77 C71 -87.4(2) . .
C13 K1 C77 C71 33.6(3) . .
K2 K1 C77 C71 -84.0(5) . .
C73 K1 C77 C71 -151.0(3) . .
K3 K1 C77 C71 -53.0(2) . .
K5 K1 C77 C71 15.01(19) . .
C74 C73 C78 C81 128.6(4) . .
C72 C73 C78 C81 -53.5(5) . .
K1 C73 C78 C81 -109.1(3) . .
C74 C73 C78 C80 7.7(5) . .
C72 C73 C78 C80 -174.4(4) . .
K1 C73 C78 C80 130.0(3) . .
C74 C73 C78 C79 -111.3(4) . .
C72 C73 C78 C79 66.6(5) . .
K1 C73 C78 C79 11.0(3) . .
O1 K2 O5 C83 127.0(4) . .
O2 K2 O5 C83 -0.6(5) . .
C15 K2 O5 C83 -144.5(4) . .
C14 K2 O5 C83 -160.2(4) . .
C17 K2 O5 C83 -103.2(4) . .
C16 K2 O5 C83 -118.6(4) . .
C1 K2 O5 C83 139.3(4) . .
C18 K2 O5 C83 -111.5(4) . .
C13 K2 O5 C83 -147.9(4) . .
C31 K2 O5 C83 -28.3(4) . .
K1 K2 O5 C83 101.8(4) . .
O1 K2 O5 C86 -46.6(3) . .
O2 K2 O5 C86 -174.2(3) . .
C15 K2 O5 C86 41.9(3) . .
C14 K2 O5 C86 26.2(4) . .
C17 K2 O5 C86 83.2(3) . .
C16 K2 O5 C86 67.7(3) . .
C1 K2 O5 C86 -34.3(3) . .
C18 K2 O5 C86 74.9(4) . .
C13 K2 O5 C86 38.4(4) . .
C31 K2 O5 C86 158.1(3) . .
K1 K2 O5 C86 -71.8(4) . .
C86 O5 C83 C84 33.6(5) . .
K2 O5 C83 C84 -140.9(3) . .
O5 C83 C84 C85 -15.4(6) . .
C83 C84 C85 C86 -7.4(6) . .
C83 O5 C86 C85 -38.8(5) . .
K2 O5 C86 C85 136.1(3) . .
C84 C85 C86 O5 27.6(6) . .
O4 K4 O6 C90 -10.0(5) . .
O3 K4 O6 C90 114.7(4) . .
C55 K4 O6 C90 -172.7(4) . .
C59 K4 O6 C90 -122.1(4) . .
C58 K4 O6 C90 -115.1(4) . .
C56 K4 O6 C90 -157.0(4) . .
C42 K4 O6 C90 127.5(4) . .
C57 K4 O6 C90 -131.9(4) . .
C54 K4 O6 C90 -160.4(4) . .
C72 K4 O6 C90 -37.4(5) . .
C87 K4 O6 C90 162.8(6) . .
O4 K4 O6 C87 -172.9(3) . .
O3 K4 O6 C87 -48.1(3) . .
C55 K4 O6 C87 24.5(3) . .
C59 K4 O6 C87 75.1(3) . .
C58 K4 O6 C87 82.1(3) . .
C56 K4 O6 C87 40.1(3) . .
C42 K4 O6 C87 -35.4(3) . .
C57 K4 O6 C87 65.3(3) . .
C54 K4 O6 C87 36.7(4) . .
C72 K4 O6 C87 159.8(3) . .
C90 O6 C87 C88 -26.1(5) . .
K4 O6 C87 C88 141.0(3) . .
C90 O6 C87 K4 -167.1(5) . .
O4 K4 C87 O6 16.0(6) . .
O3 K4 C87 O6 135.5(3) . .
C55 K4 C87 O6 -157.7(3) . .
C59 K4 C87 O6 -122.7(3) . .
C58 K4 C87 O6 -105.2(3) . .
C56 K4 C87 O6 -138.7(3) . .
C42 K4 C87 O6 142.6(3) . .
C57 K4 C87 O6 -113.7(3) . .
C54 K4 C87 O6 -152.7(3) . .
C72 K4 C87 O6 -31.1(4) . .
O4 K4 C87 C88 -43.1(7) . .
O6 K4 C87 C88 -59.0(5) . .
O3 K4 C87 C88 76.4(5) . .
C55 K4 C87 C88 143.2(5) . .
C59 K4 C87 C88 178.3(4) . .
C58 K4 C87 C88 -164.3(4) . .
C56 K4 C87 C88 162.3(5) . .
C42 K4 C87 C88 83.6(5) . .
C57 K4 C87 C88 -172.8(5) . .
C54 K4 C87 C88 148.3(4) . .
C72 K4 C87 C88 -90.2(5) . .
O6 C87 C88 C89 22.6(6) . .
K4 C87 C88 C89 59.9(6) . .
C87 C88 C89 C90 -11.4(7) . .
C87 O6 C90 C89 18.9(6) . .
K4 O6 C90 C89 -144.8(4) . .
C88 C89 C90 O6 -4.0(7) . .
O8 K5 O7 C94 133.8(3) . .
N2 K5 O7 C94 -121.0(3) . .
N1 K5 O7 C94 -1.1(3) . .
C64 K5 O7 C94 -135.8(3) . .
C24 K5 O7 C94 41.5(3) . .
C65 K5 O7 C94 -124.3(3) . .
C23 K5 O7 C94 23.9(3) . .
C71 K5 O7 C94 -23.7(9) . .
C30 K5 O7 C94 -51.8(3) . .
K1 K5 O7 C94 -18.7(3) . .
K3 K5 O7 C94 -78.6(3) . .
O8 K5 O7 C91 -69.7(4) . .
N2 K5 O7 C91 35.6(4) . .
N1 K5 O7 C91 155.5(4) . .
C64 K5 O7 C91 20.8(4) . .
C24 K5 O7 C91 -161.9(4) . .
C65 K5 O7 C91 32.3(4) . .
C23 K5 O7 C91 -179.6(4) . .
C71 K5 O7 C91 132.9(7) . .
C30 K5 O7 C91 104.8(4) . .
K1 K5 O7 C91 137.9(4) . .
K3 K5 O7 C91 78.0(4) . .
C94 O7 C91 C92 42.1(5) . .
K5 O7 C91 C92 -116.8(4) . .
O7 C91 C92 C93 -34.3(5) . .
C91 C92 C93 C94 14.2(5) . .
C91 O7 C94 C93 -33.0(5) . .
K5 O7 C94 C93 129.3(3) . .
C92 C93 C94 O7 10.7(5) . .
O7 K5 O8 C95 -69.3(4) . .
N2 K5 O8 C95 160.3(4) . .
N1 K5 O8 C95 42.4(4) . .
C64 K5 O8 C95 -173.8(4) . .
C24 K5 O8 C95 34.8(4) . .
C65 K5 O8 C95 -157.8(4) . .
C23 K5 O8 C95 26.1(4) . .
C71 K5 O8 C95 107.5(4) . .
C30 K5 O8 C95 136.7(5) . .
K1 K5 O8 C95 84.4(4) . .
K3 K5 O8 C95 141.6(3) . .
O7 K5 O8 C98 133.3(3) . .
N2 K5 O8 C98 2.8(3) . .
N1 K5 O8 C98 -115.1(3) . .
C64 K5 O8 C98 28.8(3) . .
C24 K5 O8 C98 -122.6(3) . .
C65 K5 O8 C98 44.8(3) . .
C23 K5 O8 C98 -131.3(3) . .
C71 K5 O8 C98 -50.0(3) . .
C30 K5 O8 C98 -20.7(7) . .
K1 K5 O8 C98 -73.0(3) . .
K3 K5 O8 C98 -15.8(4) . .
C98 O8 C95 C96B 41.0(11) . .
K5 O8 C95 C96B -120.6(10) . .
C98 O8 C95 C96A 5.9(8) . .
K5 O8 C95 C96A -155.7(6) . .
O8 C95 C96B C97 -31.0(14) . .
C96A C95 C96B C97 68.1(14) . .
O8 C95 C96A C97 22.8(9) . .
C96B C95 C96A C97 -67.6(12) . .
C95 C96A C97 C98 -40.5(8) . .
C95 C96A C97 C96B 61.6(11) . .
C95 C96B C97 C98 11.0(14) . .
C95 C96B C97 C96A -74.4(14) . .
C95 O8 C98 C97 -33.5(5) . .
K5 O8 C98 C97 126.6(3) . .
C96A C97 C98 O8 47.7(7) . .
C96B C97 C98 O8 12.8(10) . .
O10 K6 O9 C99 128.3(4) . .
O11A K6 O9 C99 115.6(7) . .
O11B K6 O9 C99 115.4(6) . .
C46 K6 O9 C99 29.0(4) . .
C5 K6 O9 C99 -139.5(4) 1_445 .
C45 K6 O9 C99 7.7(5) . .
C4 K6 O9 C99 -113.9(4) 1_445 .
C47 K6 O9 C99 23.2(4) . .
C44 K6 O9 C99 -15.3(5) . .
O10 K6 O9 C102 -43.1(7) . .
O11A K6 O9 C102 -55.8(8) . .
O11B K6 O9 C102 -56.0(8) . .
C46 K6 O9 C102 -142.4(6) . .
C5 K6 O9 C102 49.1(6) 1_445 .
C45 K6 O9 C102 -163.7(6) . .
C4 K6 O9 C102 74.6(6) 1_445 .
C47 K6 O9 C102 -148.2(6) . .
C44 K6 O9 C102 173.3(6) . .
C102 O9 C99 C100 -33.5(8) . .
K6 O9 C99 C100 152.4(5) . .
O9 C99 C100 C101 27.1(9) . .
C99 C100 C101 C102 -10.2(9) . .
C99 O9 C102 C101 26.4(8) . .
K6 O9 C102 C101 -161.6(5) . .
C100 C101 C102 O9 -9.8(9) . .
O11A K6 O10 C106 137.3(8) . .
O9 K6 O10 C106 124.3(4) . .
O11B K6 O10 C106 136.8(7) . .
C46 K6 O10 C106 -127.6(4) . .
C5 K6 O10 C106 36.5(4) 1_445 .
C45 K6 O10 C106 -101.6(4) . .
C4 K6 O10 C106 17.8(5) 1_445 .
C47 K6 O10 C106 -137.6(4) . .
C44 K6 O10 C106 -89.6(4) . .
O11A K6 O10 C103 -39.7(8) . .
O9 K6 O10 C103 -52.7(5) . .
O11B K6 O10 C103 -40.2(7) . .
C46 K6 O10 C103 55.3(5) . .
C5 K6 O10 C103 -140.5(5) 1_445 .
C45 K6 O10 C103 81.4(5) . .
C4 K6 O10 C103 -159.3(4) 1_445 .
C47 K6 O10 C103 45.4(5) . .
C44 K6 O10 C103 93.4(5) . .
C106 O10 C103 C104 19.3(7) . .
K6 O10 C103 C104 -163.1(4) . .
O10 C103 C104 C105 1.9(7) . .
C103 C104 C105 C106 -21.2(7) . .
C103 O10 C106 C105 -33.0(6) . .
K6 O10 C106 C105 149.6(4) . .
C104 C105 C106 O10 33.3(6) . .
O10 K6 O11A C107 125(3) . .
O9 K6 O11A C107 -63(3) . .
O11B K6 O11A C107 -61(13) . .
C46 K6 O11A C107 44(3) . .
C5 K6 O11A C107 -143(3) 1_445 .
C45 K6 O11A C107 58(4) . .
C4 K6 O11A C107 -129(3) 1_445 .
C47 K6 O11A C107 21(3) . .
C44 K6 O11A C107 42(4) . .
O10 K6 O11A C110 -69(2) . .
O9 K6 O11A C110 102(2) . .
O11B K6 O11A C110 104(15) . .
C46 K6 O11A C110 -151(2) . .
C5 K6 O11A C110 22(3) 1_445 .
C45 K6 O11A C110 -137(2) . .
C4 K6 O11A C110 36(3) 1_445 .
C47 K6 O11A C110 -174(2) . .
C44 K6 O11A C110 -152.9(18) . .
C110 O11A C107 C108 10(3) . .
K6 O11A C107 C108 176(3) . .
O11A C107 C108 C109 -36(2) . .
C107 C108 C109 C110 45(2) . .
C107 O11A C110 C109 21(3) . .
K6 O11A C110 C109 -148(2) . .
C108 C109 C110 O11A -40(3) . .
O10 K6 O11B C111 130(3) . .
O11A K6 O11B C111 124(15) . .
O9 K6 O11B C111 -58(3) . .
C46 K6 O11B C111 49(3) . .
C5 K6 O11B C111 -137(2) 1_445 .
C45 K6 O11B C111 61(3) . .
C4 K6 O11B C111 -122(2) 1_445 .
C47 K6 O11B C111 26(3) . .
C44 K6 O11B C111 43(3) . .
O10 K6 O11B C114 -78.1(18) . .
O11A K6 O11B C114 -85(14) . .
O9 K6 O11B C114 93.4(19) . .
C46 K6 O11B C114 -159.3(18) . .
C5 K6 O11B C114 15(2) 1_445 .
C45 K6 O11B C114 -147.2(16) . .
C4 K6 O11B C114 30(2) 1_445 .
C47 K6 O11B C114 177.3(18) . .
C44 K6 O11B C114 -165.4(12) . .
C114 O11B C111 C112 8(3) . .
K6 O11B C111 C112 161(2) . .
O11B C111 C112 C113 20(3) . .
C111 C112 C113 C114 -37(2) . .
C111 O11B C114 C113 -33(2) . .
K6 O11B C114 C113 167.4(17) . .
C112 C113 C114 O11B 42(2) . .
