#------------------------------------------------------------------------------
#$Date: 2016-03-24 14:28:49 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179665 $
#$URL: svn://www.crystallography.net/cod/cif/4/51/18/4511839.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_4511839
loop_
_publ_author_name
'Klien, Henrik'
'Seichter, Wilhelm'
'Weber, Edwin'
_publ_section_title
;
 Versatility in Complexation of Aprotic Guest Molecules by Terphenyl-Based
 Bisfluorenol Hosts. Structural Modes in the Crystalline Inclusions and of
 a Guest-Free Host Compound
;
_journal_issue                   9
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              4371
_journal_paper_doi               10.1021/cg500497g
_journal_volume                  14
_journal_year                    2014
_chemical_formula_moiety         'C60 H62 O2, 2.5(C4 H8 O2)'
_chemical_formula_sum            'C70 H82 O7'
_chemical_formula_weight         1035.36
_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                98.144(2)
_cell_angle_beta                 95.506(2)
_cell_angle_gamma                107.769(2)
_cell_formula_units_Z            2
_cell_length_a                   10.9784(5)
_cell_length_b                   14.2909(6)
_cell_length_c                   19.6702(9)
_cell_measurement_reflns_used    7704
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      26.44
_cell_measurement_theta_min      2.31
_cell_volume                     2877.3(2)
_computing_cell_refinement       'SAINT-NT (Sheldrick, 2008)'
_computing_data_collection       'Kappa APEX 2 (Bruker-AXS)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'ORTEP-3 (Farrugia)'
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.965
_diffrn_measured_fraction_theta_max 0.965
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0536
_diffrn_reflns_av_sigmaI/netI    0.0849
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            42499
_diffrn_reflns_theta_full        27.22
_diffrn_reflns_theta_max         27.22
_diffrn_reflns_theta_min         1.06
_diffrn_standards_decay_%        <1%
_exptl_absorpt_coefficient_mu    0.075
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.195
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1116
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.09
_refine_diff_density_max         0.378
_refine_diff_density_min         -0.474
_refine_diff_density_rms         0.085
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.993
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     715
_refine_ls_number_reflns         12416
_refine_ls_number_restraints     4
_refine_ls_restrained_S_all      0.996
_refine_ls_R_factor_all          0.1147
_refine_ls_R_factor_gt           0.0544
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0895P)²+0.4738P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1273
_refine_ls_wR_factor_ref         0.1681
_reflns_number_gt                7589
_reflns_number_total             12416
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg500497g_si_006.cif
_cod_data_source_block           klien_13_0m
_cod_depositor_comments
'Adding full bibliography for 4511830--4511839.cif.'
_cod_database_code               4511839
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
O1 O 0.25821(14) 0.11599(11) 0.36404(7) 0.0193(3) Uani 1 1 d . A 2
H1 H 0.2104 0.0840 0.3895 0.029 Uiso 1 1 calc R A 2
C1 C 0.3882(2) 0.22631(16) 0.46942(11) 0.0167(5) Uani 1 1 d . A 2
C2 C 0.4929(2) 0.19525(16) 0.48558(11) 0.0168(5) Uani 1 1 d . A 2
H2 H 0.5283 0.1654 0.4496 0.020 Uiso 1 1 calc R A 2
C3 C 0.5472(2) 0.20774(16) 0.55510(11) 0.0176(5) Uani 1 1 d . A 2
C4 C 0.4903(2) 0.25101(17) 0.60626(12) 0.0202(5) Uani 1 1 d . A 2
H4 H 0.5259 0.2599 0.6536 0.024 Uiso 1 1 calc R A 2
C5 C 0.3841(2) 0.28125(16) 0.59046(11) 0.0174(5) Uani 1 1 d . A 2
H5 H 0.3477 0.3105 0.6262 0.021 Uiso 1 1 calc R A 2
C6 C 0.3320(2) 0.26799(15) 0.52133(11) 0.0154(5) Uani 1 1 d . A 2
C7 C 0.2209(2) 0.29081(15) 0.48857(11) 0.0155(5) Uani 1 1 d . A 2
C8 C 0.1338(2) 0.33232(16) 0.51668(11) 0.0184(5) Uani 1 1 d . A 2
H8 H 0.1399 0.3508 0.5655 0.022 Uiso 1 1 calc R A 2
C9 C 0.0377(2) 0.34624(16) 0.47202(11) 0.0184(5) Uani 1 1 d . A 2
H9 H -0.0213 0.3755 0.4912 0.022 Uiso 1 1 calc R A 2
C10 C 0.0244(2) 0.31889(16) 0.39985(11) 0.0182(5) Uani 1 1 d . A 2
C11 C 0.1132(2) 0.27694(16) 0.37230(11) 0.0176(5) Uani 1 1 d . A 2
H11 H 0.1071 0.2577 0.3235 0.021 Uiso 1 1 calc R A 2
C12 C 0.2098(2) 0.26383(15) 0.41689(11) 0.0163(5) Uani 1 1 d . A 2
C13 C 0.3148(2) 0.21824(15) 0.39753(11) 0.0152(5) Uani 1 1 d . A 2
C14 C 0.4000(2) 0.27254(16) 0.34848(11) 0.0166(5) Uani 1 1 d . A 2
C15 C 0.4014(2) 0.22080(17) 0.28286(11) 0.0205(5) Uani 1 1 d . A 2
H15 H 0.3482 0.1530 0.2694 0.025 Uiso 1 1 calc R A 2
C16 C 0.4782(2) 0.26564(18) 0.23692(12) 0.0229(5) Uani 1 1 d . A 2
H16 H 0.4779 0.2285 0.1928 0.027 Uiso 1 1 calc R A 2
C17 C 0.5551(2) 0.36413(18) 0.25526(12) 0.0247(5) Uani 1 1 d . A 2
H17 H 0.6079 0.3954 0.2240 0.030 Uiso 1 1 calc R A 2
C18 C 0.5547(2) 0.41702(18) 0.31992(12) 0.0220(5) Uani 1 1 d . A 2
H18 H 0.6076 0.4850 0.3324 0.026 Uiso 1 1 calc R A 2
C19 C 0.4788(2) 0.37326(16) 0.36713(11) 0.0172(5) Uani 1 1 d . A 2
C20 C 0.4878(2) 0.43743(16) 0.43594(11) 0.0174(5) Uani 1 1 d . . 2
C21 C 0.3997(2) 0.48839(16) 0.44786(11) 0.0192(5) Uani 1 1 d . B 2
H21 H 0.3308 0.4811 0.4123 0.023 Uiso 1 1 calc R B 2
C22 C 0.4117(2) 0.54930(16) 0.51090(11) 0.0195(5) Uani 1 1 d . . 2
H22 H 0.3502 0.5828 0.5182 0.023 Uiso 1 1 calc R . 2
C23 C 0.6693(2) 0.18140(17) 0.57585(11) 0.0205(5) Uani 1 1 d . A 2
C24 C 0.7019(2) 0.11628(18) 0.51639(12) 0.0264(6) Uani 1 1 d . A 2
H24A H 0.6275 0.0558 0.4993 0.040 Uiso 1 1 calc R A 2
H24B H 0.7767 0.0976 0.5331 0.040 Uiso 1 1 calc R A 2
H24C H 0.7223 0.1537 0.4786 0.040 Uiso 1 1 calc R A 2
C25 C 0.7826(2) 0.27965(18) 0.59827(12) 0.0259(5) Uani 1 1 d . A 2
H25A H 0.7893 0.3187 0.5608 0.039 Uiso 1 1 calc R A 2
H25B H 0.8632 0.2647 0.6082 0.039 Uiso 1 1 calc R A 2
H25C H 0.7675 0.3182 0.6401 0.039 Uiso 1 1 calc R A 2
C26 C 0.6528(2) 0.12377(18) 0.63659(12) 0.0265(6) Uani 1 1 d . A 2
H26A H 0.6372 0.1652 0.6768 0.040 Uiso 1 1 calc R A 2
H26B H 0.7315 0.1073 0.6489 0.040 Uiso 1 1 calc R A 2
H26C H 0.5791 0.0620 0.6228 0.040 Uiso 1 1 calc R A 2
C27 C -0.0860(2) 0.33551(16) 0.35450(11) 0.0200(5) Uani 1 1 d . A 2
C28 C -0.2163(2) 0.27787(18) 0.37496(12) 0.0241(5) Uani 1 1 d . A 2
H28A H -0.2262 0.2065 0.3686 0.036 Uiso 1 1 calc R A 2
H28B H -0.2870 0.2878 0.3456 0.036 Uiso 1 1 calc R A 2
H28C H -0.2186 0.3026 0.4237 0.036 Uiso 1 1 calc R A 2
C29 C -0.0894(2) 0.29876(19) 0.27726(11) 0.0253(5) Uani 1 1 d . A 2
H29A H -0.0084 0.3357 0.2625 0.038 Uiso 1 1 calc R A 2
H29B H -0.1622 0.3098 0.2504 0.038 Uiso 1 1 calc R A 2
H29C H -0.1000 0.2273 0.2693 0.038 Uiso 1 1 calc R A 2
C30 C -0.0708(2) 0.44741(18) 0.36572(13) 0.0285(6) Uani 1 1 d . A 2
H30A H -0.0733 0.4711 0.4147 0.043 Uiso 1 1 calc R A 2
H30B H -0.1415 0.4578 0.3366 0.043 Uiso 1 1 calc R A 2
H30C H 0.0121 0.4847 0.3530 0.043 Uiso 1 1 calc R A 2
O1A O 0.40708(15) 0.76715(11) 0.19680(8) 0.0221(4) Uani 1 1 d . C 2
H1A H 0.4438 0.8248 0.1894 0.033 Uiso 1 1 calc R C 2
C1A C 0.5753(2) 0.71942(16) 0.14280(11) 0.0177(5) Uani 1 1 d . C 2
C2A C 0.6701(2) 0.71565(16) 0.19276(11) 0.0193(5) Uani 1 1 d . C 2
H2A H 0.6482 0.6971 0.2356 0.023 Uiso 1 1 calc R C 2
C3A C 0.7986(2) 0.73907(16) 0.18040(11) 0.0191(5) Uani 1 1 d . C 2
C4A C 0.8268(2) 0.76767(16) 0.11708(12) 0.0210(5) Uani 1 1 d . C 2
H4A H 0.9137 0.7845 0.1081 0.025 Uiso 1 1 calc R C 2
C5A C 0.7317(2) 0.77232(17) 0.06667(12) 0.0212(5) Uani 1 1 d . C 2
H5A H 0.7534 0.7922 0.0241 0.025 Uiso 1 1 calc R C 2
C6A C 0.6049(2) 0.74743(16) 0.07954(11) 0.0184(5) Uani 1 1 d . C 2
C7A C 0.4835(2) 0.73846(16) 0.03609(11) 0.0181(5) Uani 1 1 d . C 2
C8A C 0.4587(2) 0.75092(17) -0.03219(12) 0.0214(5) Uani 1 1 d . C 2
H8A H 0.5275 0.7740 -0.0579 0.026 Uiso 1 1 calc R C 2
C9A C 0.3314(2) 0.72886(17) -0.06163(12) 0.0226(5) Uani 1 1 d . C 2
H9A H 0.3141 0.7368 -0.1084 0.027 Uiso 1 1 calc R C 2
C10A C 0.2272(2) 0.69548(16) -0.02578(11) 0.0202(5) Uani 1 1 d . C 2
C11A C 0.2545(2) 0.68423(16) 0.04295(11) 0.0190(5) Uani 1 1 d . C 2
H11A H 0.1862 0.6623 0.0691 0.023 Uiso 1 1 calc R C 2
C12A C 0.3814(2) 0.70525(15) 0.07254(11) 0.0171(5) Uani 1 1 d . C 2
C13A C 0.4302(2) 0.69444(16) 0.14548(11) 0.0174(5) Uani 1 1 d . C 2
C14A C 0.3695(2) 0.59204(16) 0.16420(11) 0.0175(5) Uani 1 1 d . C 2
C15A C 0.3076(2) 0.58437(18) 0.22262(11) 0.0204(5) Uani 1 1 d . C 2
H15A H 0.2987 0.6427 0.2485 0.025 Uiso 1 1 calc R C 2
C16A C 0.2584(2) 0.49340(18) 0.24396(12) 0.0225(5) Uani 1 1 d . C 2
H16A H 0.2172 0.4901 0.2843 0.027 Uiso 1 1 calc R C 2
C17A C 0.2692(2) 0.40752(18) 0.20652(12) 0.0241(5) Uani 1 1 d . C 2
H17A H 0.2369 0.3452 0.2212 0.029 Uiso 1 1 calc R C 2
C18A C 0.3280(2) 0.41361(17) 0.14724(12) 0.0216(5) Uani 1 1 d . C 2
H18A H 0.3341 0.3544 0.1211 0.026 Uiso 1 1 calc R C 2
C19A C 0.3783(2) 0.50413(16) 0.12498(11) 0.0175(5) Uani 1 1 d . C 2
C20A C 0.4416(2) 0.50296(16) 0.06044(11) 0.0174(5) Uani 1 1 d . C 2
C21A C 0.5703(2) 0.50713(16) 0.06351(11) 0.0188(5) Uani 1 1 d . . 2
H21A H 0.6189 0.5112 0.1071 0.023 Uiso 1 1 calc R . 2
C22A C 0.3714(2) 0.49446(16) -0.00451(11) 0.0188(5) Uani 1 1 d . . 2
H22A H 0.2827 0.4897 -0.0081 0.023 Uiso 1 1 calc R . 2
C23A C 0.9044(2) 0.73521(17) 0.23615(12) 0.0222(5) Uani 1 1 d . C 2
C24A C 0.8615(2) 0.63520(18) 0.26165(13) 0.0294(6) Uani 1 1 d . C 2
H24D H 0.7819 0.6285 0.2820 0.044 Uiso 1 1 calc R C 2
H24E H 0.9296 0.6329 0.2968 0.044 Uiso 1 1 calc R C 2
H24F H 0.8456 0.5803 0.2224 0.044 Uiso 1 1 calc R C 2
C25A C 0.9242(2) 0.82084(19) 0.29718(12) 0.0306(6) Uani 1 1 d . C 2
H25D H 0.9544 0.8849 0.2814 0.046 Uiso 1 1 calc R C 2
H25E H 0.9887 0.8180 0.3342 0.046 Uiso 1 1 calc R C 2
H25F H 0.8421 0.8142 0.3149 0.046 Uiso 1 1 calc R C 2
C26A C 1.0328(2) 0.7456(2) 0.20907(13) 0.0316(6) Uani 1 1 d . C 2
H26D H 1.0202 0.6918 0.1695 0.047 Uiso 1 1 calc R C 2
H26E H 1.0963 0.7412 0.2460 0.047 Uiso 1 1 calc R C 2
H26F H 1.0644 0.8103 0.1943 0.047 Uiso 1 1 calc R C 2
C27A C 0.0888(2) 0.66781(18) -0.06312(12) 0.0226(5) Uani 1 1 d . C 2
C28A C -0.0118(2) 0.6441(2) -0.01400(13) 0.0344(6) Uani 1 1 d . C 2
H28D H -0.0077 0.5856 0.0056 0.052 Uiso 1 1 calc R C 2
H28E H -0.0983 0.6300 -0.0397 0.052 Uiso 1 1 calc R C 2
H28F H 0.0062 0.7015 0.0236 0.052 Uiso 1 1 calc R C 2
C29A C 0.0626(2) 0.57534(18) -0.11972(12) 0.0297(6) Uani 1 1 d . C 2
H29D H 0.1230 0.5909 -0.1533 0.045 Uiso 1 1 calc R C 2
H29E H -0.0263 0.5560 -0.1436 0.045 Uiso 1 1 calc R C 2
H29F H 0.0744 0.5201 -0.0984 0.045 Uiso 1 1 calc R C 2
C30A C 0.0718(2) 0.75558(18) -0.09615(13) 0.0289(6) Uani 1 1 d . C 2
H30D H 0.0866 0.8138 -0.0596 0.043 Uiso 1 1 calc R C 2
H30E H -0.0163 0.7364 -0.1212 0.043 Uiso 1 1 calc R C 2
H30F H 0.1341 0.7723 -0.1286 0.043 Uiso 1 1 calc R C 2
O1B O 0.53625(16) -0.02839(12) 0.18321(8) 0.0308(4) Uani 1 1 d . D 2
O2B O 0.77105(17) 0.03583(13) 0.27621(10) 0.0413(5) Uani 1 1 d . D 2
C1B C 0.6583(3) 0.0122(2) 0.16006(15) 0.0403(7) Uani 1 1 d . D 2
H1B1 H 0.6765 0.0847 0.1610 0.048 Uiso 1 1 calc R D 2
H1B2 H 0.6543 -0.0201 0.1116 0.048 Uiso 1 1 calc R D 2
C2B C 0.7648(3) -0.0039(2) 0.20518(15) 0.0418(7) Uani 1 1 d . D 2
H2B1 H 0.7512 -0.0765 0.2000 0.050 Uiso 1 1 calc R D 2
H2B2 H 0.8483 0.0279 0.1896 0.050 Uiso 1 1 calc R D 2
C3B C 0.6492(3) -0.0052(2) 0.29788(14) 0.0370(7) Uani 1 1 d . D 2
H3B1 H 0.6530 0.0238 0.3471 0.044 Uiso 1 1 calc R D 2
H3B2 H 0.6289 -0.0783 0.2941 0.044 Uiso 1 1 calc R D 2
C4B C 0.5451(3) 0.01625(19) 0.25418(13) 0.0313(6) Uani 1 1 d . D 2
H4B1 H 0.4613 -0.0109 0.2708 0.038 Uiso 1 1 calc R D 2
H4B2 H 0.5649 0.0894 0.2581 0.038 Uiso 1 1 calc R D 2
O1E O 0.09737(14) 0.03369(11) 0.45887(8) 0.0219(4) Uani 1 1 d . E 2
C1E C -0.0322(2) 0.03358(17) 0.43950(12) 0.0224(5) Uani 1 1 d . . 2
H1E1 H -0.0525 0.0227 0.3883 0.027 Uiso 1 1 calc R . 2
H1E2 H -0.0398 0.0991 0.4587 0.027 Uiso 1 1 calc R . 2
C2E C 0.1262(2) 0.04763(17) 0.53322(11) 0.0221(5) Uani 1 1 d . . 2
H2E1 H 0.1214 0.1134 0.5542 0.027 Uiso 1 1 calc R . 2
H2E2 H 0.2152 0.0470 0.5464 0.027 Uiso 1 1 calc R . 2
O1D O 0.1109(2) -0.08343(16) 0.08510(13) 0.0479(6) Uani 0.867(2) 1 d P F 1
O2D O 0.2849(2) 0.10858(16) 0.09231(14) 0.0525(7) Uani 0.867(2) 1 d P F 1
C1D C 0.2444(3) -0.0652(2) 0.0955(2) 0.0686(11) Uani 0.867(2) 1 d P F 1
H1D1 H 0.2636 -0.1258 0.0755 0.082 Uiso 0.867(2) 1 calc PR F 1
H1D2 H 0.2769 -0.0492 0.1459 0.082 Uiso 0.867(2) 1 calc PR F 1
C2D C 0.3101(3) 0.0186(3) 0.06233(18) 0.0565(9) Uani 0.867(2) 1 d P F 1
H2D1 H 0.4044 0.0300 0.0691 0.068 Uiso 0.867(2) 1 calc PR F 1
H2D2 H 0.2787 0.0021 0.0118 0.068 Uiso 0.867(2) 1 calc PR F 1
C3D C 0.1537(4) 0.0896(3) 0.0861(3) 0.0908(15) Uani 0.867(2) 1 d P F 1
H3D1 H 0.1177 0.0762 0.0363 0.109 Uiso 0.867(2) 1 calc PR F 1
H3D2 H 0.1362 0.1498 0.1085 0.109 Uiso 0.867(2) 1 calc PR F 1
C4D C 0.0873(4) 0.0041(3) 0.1177(2) 0.0798(13) Uani 0.867(2) 1 d P F 1
H4D1 H 0.1196 0.0179 0.1681 0.096 Uiso 0.867(2) 1 calc PR F 1
H4D2 H -0.0068 -0.0066 0.1118 0.096 Uiso 0.867(2) 1 calc PR F 1
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
C13 O1 H1 109.5 . .
C2 C1 C6 121.2(2) . .
C2 C1 C13 127.92(19) . .
C6 C1 C13 110.84(18) . .
C1 C2 C3 120.0(2) . .
C1 C2 H2 120.0 . .
C3 C2 H2 120.0 . .
C4 C3 C2 117.7(2) . .
C4 C3 C23 119.89(19) . .
C2 C3 C23 122.32(19) . .
C5 C4 C3 122.6(2) . .
C5 C4 H4 118.7 . .
C3 C4 H4 118.7 . .
C4 C5 C6 118.6(2) . .
C4 C5 H5 120.7 . .
C6 C5 H5 120.7 . .
C5 C6 C1 119.8(2) . .
C5 C6 C7 131.43(19) . .
C1 C6 C7 108.74(18) . .
C8 C7 C12 119.68(19) . .
C8 C7 C6 131.56(19) . .
C12 C7 C6 108.76(18) . .
C9 C8 C7 118.7(2) . .
C9 C8 H8 120.7 . .
C7 C8 H8 120.7 . .
C8 C9 C10 122.47(19) . .
C8 C9 H9 118.8 . .
C10 C9 H9 118.8 . .
C9 C10 C11 118.11(19) . .
C9 C10 C27 118.93(18) . .
C11 C10 C27 122.96(19) . .
C12 C11 C10 119.4(2) . .
C12 C11 H11 120.3 . .
C10 C11 H11 120.3 . .
C11 C12 C7 121.66(19) . .
C11 C12 C13 127.56(19) . .
C7 C12 C13 110.77(17) . .
O1 C13 C1 110.87(16) . .
O1 C13 C14 106.97(16) . .
C1 C13 C14 113.53(17) . .
O1 C13 C12 110.96(16) . .
C1 C13 C12 100.87(16) . .
C14 C13 C12 113.66(17) . .
C15 C14 C19 118.1(2) . .
C15 C14 C13 119.39(19) . .
C19 C14 C13 122.49(18) . .
C16 C15 C14 121.8(2) . .
C16 C15 H15 119.1 . .
C14 C15 H15 119.1 . .
C17 C16 C15 119.9(2) . .
C17 C16 H16 120.0 . .
C15 C16 H16 120.0 . .
C16 C17 C18 119.2(2) . .
C16 C17 H17 120.4 . .
C18 C17 H17 120.4 . .
C17 C18 C19 121.8(2) . .
C17 C18 H18 119.1 . .
C19 C18 H18 119.1 . .
C18 C19 C14 119.1(2) . .
C18 C19 C20 117.1(2) . .
C14 C19 C20 123.85(19) . .
C22 C20 C21 118.1(2) 2_666 .
C22 C20 C19 120.42(19) 2_666 .
C21 C20 C19 121.44(19) . .
C22 C21 C20 120.6(2) . .
C22 C21 H21 119.7 . .
C20 C21 H21 119.7 . .
C21 C22 C20 121.31(19) . 2_666
C21 C22 H22 119.3 . .
C20 C22 H22 119.3 2_666 .
C24 C23 C3 112.62(18) . .
C24 C23 C25 108.90(19) . .
C3 C23 C25 107.88(18) . .
C24 C23 C26 107.25(18) . .
C3 C23 C26 110.75(18) . .
C25 C23 C26 109.39(19) . .
C23 C24 H24A 109.5 . .
C23 C24 H24B 109.5 . .
H24A C24 H24B 109.5 . .
C23 C24 H24C 109.5 . .
H24A C24 H24C 109.5 . .
H24B C24 H24C 109.5 . .
C23 C25 H25A 109.5 . .
C23 C25 H25B 109.5 . .
H25A C25 H25B 109.5 . .
C23 C25 H25C 109.5 . .
H25A C25 H25C 109.5 . .
H25B C25 H25C 109.5 . .
C23 C26 H26A 109.5 . .
C23 C26 H26B 109.5 . .
H26A C26 H26B 109.5 . .
C23 C26 H26C 109.5 . .
H26A C26 H26C 109.5 . .
H26B C26 H26C 109.5 . .
C29 C27 C10 112.30(18) . .
C29 C27 C30 108.63(19) . .
C10 C27 C30 109.69(18) . .
C29 C27 C28 107.78(18) . .
C10 C27 C28 109.41(18) . .
C30 C27 C28 108.96(18) . .
C27 C28 H28A 109.5 . .
C27 C28 H28B 109.5 . .
H28A C28 H28B 109.5 . .
C27 C28 H28C 109.5 . .
H28A C28 H28C 109.5 . .
H28B C28 H28C 109.5 . .
C27 C29 H29A 109.5 . .
C27 C29 H29B 109.5 . .
H29A C29 H29B 109.5 . .
C27 C29 H29C 109.5 . .
H29A C29 H29C 109.5 . .
H29B C29 H29C 109.5 . .
C27 C30 H30A 109.5 . .
C27 C30 H30B 109.5 . .
H30A C30 H30B 109.5 . .
C27 C30 H30C 109.5 . .
H30A C30 H30C 109.5 . .
H30B C30 H30C 109.5 . .
C13A O1A H1A 109.5 . .
C2A C1A C6A 121.2(2) . .
C2A C1A C13A 128.2(2) . .
C6A C1A C13A 110.67(18) . .
C1A C2A C3A 120.2(2) . .
C1A C2A H2A 119.9 . .
C3A C2A H2A 119.9 . .
C4A C3A C2A 117.9(2) . .
C4A C3A C23A 121.86(19) . .
C2A C3A C23A 120.2(2) . .
C5A C4A C3A 122.1(2) . .
C5A C4A H4A 118.9 . .
C3A C4A H4A 118.9 . .
C6A C5A C4A 119.0(2) . .
C6A C5A H5A 120.5 . .
C4A C5A H5A 120.5 . .
C5A C6A C1A 119.6(2) . .
C5A C6A C7A 132.0(2) . .
C1A C6A C7A 108.31(19) . .
C12A C7A C8A 119.7(2) . .
C12A C7A C6A 108.89(19) . .
C8A C7A C6A 131.3(2) . .
C9A C8A C7A 118.3(2) . .
C9A C8A H8A 120.9 . .
C7A C8A H8A 120.9 . .
C8A C9A C10A 123.0(2) . .
C8A C9A H9A 118.5 . .
C10A C9A H9A 118.5 . .
C9A C10A C11A 117.8(2) . .
C9A C10A C27A 119.8(2) . .
C11A C10A C27A 122.4(2) . .
C12A C11A C10A 119.6(2) . .
C12A C11A H11A 120.2 . .
C10A C11A H11A 120.2 . .
C11A C12A C7A 121.7(2) . .
C11A C12A C13A 127.4(2) . .
C7A C12A C13A 110.87(19) . .
O1A C13A C14A 107.29(17) . .
O1A C13A C12A 110.28(17) . .
C14A C13A C12A 114.95(18) . .
O1A C13A C1A 110.25(17) . .
C14A C13A C1A 112.92(17) . .
C12A C13A C1A 101.09(17) . .
C15A C14A C19A 118.6(2) . .
C15A C14A C13A 119.73(19) . .
C19A C14A C13A 121.63(19) . .
C16A C15A C14A 121.5(2) . .
C16A C15A H15A 119.2 . .
C14A C15A H15A 119.2 . .
C17A C16A C15A 120.0(2) . .
C17A C16A H16A 120.0 . .
C15A C16A H16A 120.0 . .
C16A C17A C18A 119.1(2) . .
C16A C17A H17A 120.4 . .
C18A C17A H17A 120.4 . .
C17A C18A C19A 121.8(2) . .
C17A C18A H18A 119.1 . .
C19A C18A H18A 119.1 . .
C18A C19A C14A 118.9(2) . .
C18A C19A C20A 117.71(19) . .
C14A C19A C20A 123.4(2) . .
C21A C20A C22A 118.2(2) . .
C21A C20A C19A 120.96(19) . .
C22A C20A C19A 120.83(19) . .
C22A C21A C20A 121.3(2) 2_665 .
C22A C21A H21A 119.4 2_665 .
C20A C21A H21A 119.4 . .
C21A C22A C20A 120.5(2) 2_665 .
C21A C22A H22A 119.7 2_665 .
C20A C22A H22A 119.7 . .
C26A C23A C24A 107.79(19) . .
C26A C23A C25A 109.2(2) . .
C24A C23A C25A 109.3(2) . .
C26A C23A C3A 112.54(19) . .
C24A C23A C3A 109.84(18) . .
C25A C23A C3A 108.11(18) . .
C23A C24A H24D 109.5 . .
C23A C24A H24E 109.5 . .
H24D C24A H24E 109.5 . .
C23A C24A H24F 109.5 . .
H24D C24A H24F 109.5 . .
H24E C24A H24F 109.5 . .
C23A C25A H25D 109.5 . .
C23A C25A H25E 109.5 . .
H25D C25A H25E 109.5 . .
C23A C25A H25F 109.5 . .
H25D C25A H25F 109.5 . .
H25E C25A H25F 109.5 . .
C23A C26A H26D 109.5 . .
C23A C26A H26E 109.5 . .
H26D C26A H26E 109.5 . .
C23A C26A H26F 109.5 . .
H26D C26A H26F 109.5 . .
H26E C26A H26F 109.5 . .
C28A C27A C10A 112.46(19) . .
C28A C27A C29A 108.6(2) . .
C10A C27A C29A 108.54(18) . .
C28A C27A C30A 107.2(2) . .
C10A C27A C30A 110.08(19) . .
C29A C27A C30A 109.92(19) . .
C27A C28A H28D 109.5 . .
C27A C28A H28E 109.5 . .
H28D C28A H28E 109.5 . .
C27A C28A H28F 109.5 . .
H28D C28A H28F 109.5 . .
H28E C28A H28F 109.5 . .
C27A C29A H29D 109.5 . .
C27A C29A H29E 109.5 . .
H29D C29A H29E 109.5 . .
C27A C29A H29F 109.5 . .
H29D C29A H29F 109.5 . .
H29E C29A H29F 109.5 . .
C27A C30A H30D 109.5 . .
C27A C30A H30E 109.5 . .
H30D C30A H30E 109.5 . .
C27A C30A H30F 109.5 . .
H30D C30A H30F 109.5 . .
H30E C30A H30F 109.5 . .
C4B O1B C1B 108.81(19) . .
C2B O2B C3B 109.50(19) . .
O1B C1B C2B 110.9(2) . .
O1B C1B H1B1 109.5 . .
C2B C1B H1B1 109.5 . .
O1B C1B H1B2 109.5 . .
C2B C1B H1B2 109.5 . .
H1B1 C1B H1B2 108.0 . .
O2B C2B C1B 112.3(2) . .
O2B C2B H2B1 109.1 . .
C1B C2B H2B1 109.1 . .
O2B C2B H2B2 109.1 . .
C1B C2B H2B2 109.1 . .
H2B1 C2B H2B2 107.9 . .
O2B C3B C4B 110.7(2) . .
O2B C3B H3B1 109.5 . .
C4B C3B H3B1 109.5 . .
O2B C3B H3B2 109.5 . .
C4B C3B H3B2 109.5 . .
H3B1 C3B H3B2 108.1 . .
O1B C4B C3B 109.8(2) . .
O1B C4B H4B1 109.7 . .
C3B C4B H4B1 109.7 . .
O1B C4B H4B2 109.7 . .
C3B C4B H4B2 109.7 . .
H4B1 C4B H4B2 108.2 . .
C1E O1E C2E 109.76(16) . .
O1E C1E C2E 109.90(18) . 2_556
O1E C1E H1E1 109.7 . .
C2E C1E H1E1 109.7 2_556 .
O1E C1E H1E2 109.7 . .
C2E C1E H1E2 109.7 2_556 .
H1E1 C1E H1E2 108.2 . .
O1E C2E C1E 110.50(18) . 2_556
O1E C2E H2E1 109.5 . .
C1E C2E H2E1 109.5 2_556 .
O1E C2E H2E2 109.5 . .
C1E C2E H2E2 109.5 2_556 .
H2E1 C2E H2E2 108.1 . .
C1D O1D C4D 107.7(3) . .
C3D O2D C2D 108.8(3) . .
O1D C1D C2D 110.2(3) . .
O1D C1D H1D1 109.6 . .
C2D C1D H1D1 109.6 . .
O1D C1D H1D2 109.6 . .
C2D C1D H1D2 109.6 . .
H1D1 C1D H1D2 108.1 . .
O2D C2D C1D 110.1(3) . .
O2D C2D H2D1 109.6 . .
C1D C2D H2D1 109.6 . .
O2D C2D H2D2 109.6 . .
C1D C2D H2D2 109.6 . .
H2D1 C2D H2D2 108.2 . .
O2D C3D C4D 113.0(3) . .
O2D C3D H3D1 109.0 . .
C4D C3D H3D1 109.0 . .
O2D C3D H3D2 109.0 . .
C4D C3D H3D2 109.0 . .
H3D1 C3D H3D2 107.8 . .
O1D C4D C3D 109.3(3) . .
O1D C4D H4D1 109.8 . .
C3D C4D H4D1 109.8 . .
O1D C4D H4D2 109.8 . .
C3D C4D H4D2 109.8 . .
H4D1 C4D H4D2 108.3 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
O1 C13 1.432(2) .
O1 H1 0.8400 .
C1 C2 1.379(3) .
C1 C6 1.396(3) .
C1 C13 1.530(3) .
C2 C3 1.403(3) .
C2 H2 0.9500 .
C3 C4 1.402(3) .
C3 C23 1.533(3) .
C4 C5 1.385(3) .
C4 H4 0.9500 .
C5 C6 1.387(3) .
C5 H5 0.9500 .
C6 C7 1.470(3) .
C7 C8 1.388(3) .
C7 C12 1.391(3) .
C8 C9 1.387(3) .
C8 H8 0.9500 .
C9 C10 1.399(3) .
C9 H9 0.9500 .
C10 C11 1.403(3) .
C10 C27 1.533(3) .
C11 C12 1.385(3) .
C11 H11 0.9500 .
C12 C13 1.539(3) .
C13 C14 1.533(3) .
C14 C15 1.398(3) .
C14 C19 1.409(3) .
C15 C16 1.385(3) .
C15 H15 0.9500 .
C16 C17 1.377(3) .
C16 H16 0.9500 .
C17 C18 1.386(3) .
C17 H17 0.9500 .
C18 C19 1.394(3) .
C18 H18 0.9500 .
C19 C20 1.500(3) .
C20 C22 1.393(3) 2_666
C20 C21 1.395(3) .
C21 C22 1.381(3) .
C21 H21 0.9500 .
C22 C20 1.393(3) 2_666
C22 H22 0.9500 .
C23 C24 1.529(3) .
C23 C25 1.538(3) .
C23 C26 1.539(3) .
C24 H24A 0.9800 .
C24 H24B 0.9800 .
C24 H24C 0.9800 .
C25 H25A 0.9800 .
C25 H25B 0.9800 .
C25 H25C 0.9800 .
C26 H26A 0.9800 .
C26 H26B 0.9800 .
C26 H26C 0.9800 .
C27 C29 1.529(3) .
C27 C30 1.537(3) .
C27 C28 1.540(3) .
C28 H28A 0.9800 .
C28 H28B 0.9800 .
C28 H28C 0.9800 .
C29 H29A 0.9800 .
C29 H29B 0.9800 .
C29 H29C 0.9800 .
C30 H30A 0.9800 .
C30 H30B 0.9800 .
C30 H30C 0.9800 .
O1A C13A 1.441(2) .
O1A H1A 0.8400 .
C1A C2A 1.381(3) .
C1A C6A 1.398(3) .
C1A C13A 1.530(3) .
C2A C3A 1.400(3) .
C2A H2A 0.9500 .
C3A C4A 1.398(3) .
C3A C23A 1.538(3) .
C4A C5A 1.393(3) .
C4A H4A 0.9500 .
C5A C6A 1.385(3) .
C5A H5A 0.9500 .
C6A C7A 1.473(3) .
C7A C12A 1.386(3) .
C7A C8A 1.392(3) .
C8A C9A 1.383(3) .
C8A H8A 0.9500 .
C9A C10A 1.397(3) .
C9A H9A 0.9500 .
C10A C11A 1.399(3) .
C10A C27A 1.530(3) .
C11A C12A 1.382(3) .
C11A H11A 0.9500 .
C12A C13A 1.528(3) .
C13A C14A 1.525(3) .
C14A C15A 1.391(3) .
C14A C19A 1.413(3) .
C15A C16A 1.388(3) .
C15A H15A 0.9500 .
C16A C17A 1.383(3) .
C16A H16A 0.9500 .
C17A C18A 1.386(3) .
C17A H17A 0.9500 .
C18A C19A 1.393(3) .
C18A H18A 0.9500 .
C19A C20A 1.504(3) .
C20A C21A 1.391(3) .
C20A C22A 1.397(3) .
C21A C22A 1.379(3) 2_665
C21A H21A 0.9500 .
C22A C21A 1.379(3) 2_665
C22A H22A 0.9500 .
C23A C26A 1.528(3) .
C23A C24A 1.534(3) .
C23A C25A 1.535(3) .
C24A H24D 0.9800 .
C24A H24E 0.9800 .
C24A H24F 0.9800 .
C25A H25D 0.9800 .
C25A H25E 0.9800 .
C25A H25F 0.9800 .
C26A H26D 0.9800 .
C26A H26E 0.9800 .
C26A H26F 0.9800 .
C27A C28A 1.529(3) .
C27A C29A 1.536(3) .
C27A C30A 1.543(3) .
C28A H28D 0.9800 .
C28A H28E 0.9800 .
C28A H28F 0.9800 .
C29A H29D 0.9800 .
C29A H29E 0.9800 .
C29A H29F 0.9800 .
C30A H30D 0.9800 .
C30A H30E 0.9800 .
C30A H30F 0.9800 .
O1B C4B 1.431(3) .
O1B C1B 1.434(3) .
O2B C2B 1.419(3) .
O2B C3B 1.420(3) .
C1B C2B 1.494(4) .
C1B H1B1 0.9900 .
C1B H1B2 0.9900 .
C2B H2B1 0.9900 .
C2B H2B2 0.9900 .
C3B C4B 1.496(4) .
C3B H3B1 0.9900 .
C3B H3B2 0.9900 .
C4B H4B1 0.9900 .
C4B H4B2 0.9900 .
O1E C1E 1.436(3) .
O1E C2E 1.438(3) .
C1E C2E 1.500(3) 2_556
C1E H1E1 0.9900 .
C1E H1E2 0.9900 .
C2E C1E 1.500(3) 2_556
C2E H2E1 0.9900 .
C2E H2E2 0.9900 .
O1D C1D 1.398(4) .
O1D C4D 1.430(4) .
O2D C3D 1.371(4) .
O2D C2D 1.453(4) .
C1D C2D 1.471(5) .
C1D H1D1 0.9900 .
C1D H1D2 0.9900 .
C2D H2D1 0.9900 .
C2D H2D2 0.9900 .
C3D C4D 1.473(5) .
C3D H3D1 0.9900 .
C3D H3D2 0.9900 .
C4D H4D1 0.9900 .
C4D H4D2 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
C6 C1 C2 C3 -1.8(3) . .
C13 C1 C2 C3 -179.2(2) . .
C1 C2 C3 C4 0.8(3) . .
C1 C2 C3 C23 -175.6(2) . .
C2 C3 C4 C5 0.0(3) . .
C23 C3 C4 C5 176.5(2) . .
C3 C4 C5 C6 0.1(3) . .
C4 C5 C6 C1 -1.0(3) . .
C4 C5 C6 C7 179.2(2) . .
C2 C1 C6 C5 1.8(3) . .
C13 C1 C6 C5 179.69(19) . .
C2 C1 C6 C7 -178.32(19) . .
C13 C1 C6 C7 -0.5(2) . .
C5 C6 C7 C8 -0.2(4) . .
C1 C6 C7 C8 180.0(2) . .
C5 C6 C7 C12 179.4(2) . .
C1 C6 C7 C12 -0.4(2) . .
C12 C7 C8 C9 -0.3(3) . .
C6 C7 C8 C9 179.3(2) . .
C7 C8 C9 C10 0.8(3) . .
C8 C9 C10 C11 -0.8(3) . .
C8 C9 C10 C27 179.0(2) . .
C9 C10 C11 C12 0.2(3) . .
C27 C10 C11 C12 -179.6(2) . .
C10 C11 C12 C7 0.3(3) . .
C10 C11 C12 C13 179.1(2) . .
C8 C7 C12 C11 -0.3(3) . .
C6 C7 C12 C11 -179.93(19) . .
C8 C7 C12 C13 -179.19(19) . .
C6 C7 C12 C13 1.1(2) . .
C2 C1 C13 O1 61.1(3) . .
C6 C1 C13 O1 -116.54(19) . .
C2 C1 C13 C14 -59.3(3) . .
C6 C1 C13 C14 123.02(19) . .
C2 C1 C13 C12 178.7(2) . .
C6 C1 C13 C12 1.1(2) . .
C11 C12 C13 O1 -62.7(3) . .
C7 C12 C13 O1 116.20(19) . .
C11 C12 C13 C1 179.8(2) . .
C7 C12 C13 C1 -1.3(2) . .
C11 C12 C13 C14 57.9(3) . .
C7 C12 C13 C14 -123.19(19) . .
O1 C13 C14 C15 4.5(2) . .
C1 C13 C14 C15 127.1(2) . .
C12 C13 C14 C15 -118.3(2) . .
O1 C13 C14 C19 -174.92(18) . .
C1 C13 C14 C19 -52.3(3) . .
C12 C13 C14 C19 62.3(3) . .
C19 C14 C15 C16 0.6(3) . .
C13 C14 C15 C16 -178.89(19) . .
C14 C15 C16 C17 -0.6(3) . .
C15 C16 C17 C18 0.2(3) . .
C16 C17 C18 C19 0.2(3) . .
C17 C18 C19 C14 -0.2(3) . .
C17 C18 C19 C20 179.10(19) . .
C15 C14 C19 C18 -0.2(3) . .
C13 C14 C19 C18 179.29(19) . .
C15 C14 C19 C20 -179.44(19) . .
C13 C14 C19 C20 0.0(3) . .
C18 C19 C20 C22 -82.2(3) . 2_666
C14 C19 C20 C22 97.1(3) . 2_666
C18 C19 C20 C21 95.3(3) . .
C14 C19 C20 C21 -85.4(3) . .
C22 C20 C21 C22 -0.6(4) 2_666 .
C19 C20 C21 C22 -178.2(2) . .
C20 C21 C22 C20 0.6(4) . 2_666
C4 C3 C23 C24 168.3(2) . .
C2 C3 C23 C24 -15.3(3) . .
C4 C3 C23 C25 -71.5(3) . .
C2 C3 C23 C25 104.9(2) . .
C4 C3 C23 C26 48.2(3) . .
C2 C3 C23 C26 -135.4(2) . .
C9 C10 C27 C29 -178.2(2) . .
C11 C10 C27 C29 1.5(3) . .
C9 C10 C27 C30 60.9(3) . .
C11 C10 C27 C30 -119.3(2) . .
C9 C10 C27 C28 -58.6(3) . .
C11 C10 C27 C28 121.2(2) . .
C6A C1A C2A C3A -0.7(3) . .
C13A C1A C2A C3A 178.4(2) . .
C1A C2A C3A C4A 1.1(3) . .
C1A C2A C3A C23A 179.80(19) . .
C2A C3A C4A C5A -0.7(3) . .
C23A C3A C4A C5A -179.3(2) . .
C3A C4A C5A C6A -0.3(3) . .
C4A C5A C6A C1A 0.7(3) . .
C4A C5A C6A C7A -175.4(2) . .
C2A C1A C6A C5A -0.3(3) . .
C13A C1A C6A C5A -179.51(19) . .
C2A C1A C6A C7A 176.68(19) . .
C13A C1A C6A C7A -2.5(2) . .
C5A C6A C7A C12A 176.4(2) . .
C1A C6A C7A C12A -0.1(2) . .
C5A C6A C7A C8A 1.1(4) . .
C1A C6A C7A C8A -175.3(2) . .
C12A C7A C8A C9A -0.4(3) . .
C6A C7A C8A C9A 174.4(2) . .
C7A C8A C9A C10A 0.5(3) . .
C8A C9A C10A C11A 0.0(3) . .
C8A C9A C10A C27A -177.0(2) . .
C9A C10A C11A C12A -0.6(3) . .
C27A C10A C11A C12A 176.4(2) . .
C10A C11A C12A C7A 0.7(3) . .
C10A C11A C12A C13A -177.9(2) . .
C8A C7A C12A C11A -0.2(3) . .
C6A C7A C12A C11A -176.09(19) . .
C8A C7A C12A C13A 178.56(19) . .
C6A C7A C12A C13A 2.7(2) . .
C11A C12A C13A O1A -68.6(3) . .
C7A C12A C13A O1A 112.71(19) . .
C11A C12A C13A C14A 52.8(3) . .
C7A C12A C13A C14A -125.87(19) . .
C11A C12A C13A C1A 174.8(2) . .
C7A C12A C13A C1A -3.9(2) . .
C2A C1A C13A O1A 68.1(3) . .
C6A C1A C13A O1A -112.79(19) . .
C2A C1A C13A C14A -51.9(3) . .
C6A C1A C13A C14A 127.21(19) . .
C2A C1A C13A C12A -175.3(2) . .
C6A C1A C13A C12A 3.9(2) . .
O1A C13A C14A C15A -0.5(3) . .
C12A C13A C14A C15A -123.5(2) . .
C1A C13A C14A C15A 121.2(2) . .
O1A C13A C14A C19A -178.17(18) . .
C12A C13A C14A C19A 58.8(3) . .
C1A C13A C14A C19A -56.5(3) . .
C19A C14A C15A C16A 2.0(3) . .
C13A C14A C15A C16A -175.82(19) . .
C14A C15A C16A C17A -0.6(3) . .
C15A C16A C17A C18A -0.9(3) . .
C16A C17A C18A C19A 1.1(3) . .
C17A C18A C19A C14A 0.3(3) . .
C17A C18A C19A C20A 179.3(2) . .
C15A C14A C19A C18A -1.7(3) . .
C13A C14A C19A C18A 175.99(19) . .
C15A C14A C19A C20A 179.25(19) . .
C13A C14A C19A C20A -3.0(3) . .
C18A C19A C20A C21A -84.1(3) . .
C14A C19A C20A C21A 94.9(3) . .
C18A C19A C20A C22A 93.8(2) . .
C14A C19A C20A C22A -87.1(3) . .
C22A C20A C21A C22A 1.6(3) . 2_665
C19A C20A C21A C22A 179.6(2) . 2_665
C21A C20A C22A C21A -1.6(3) . 2_665
C19A C20A C22A C21A -179.6(2) . 2_665
C4A C3A C23A C26A -11.1(3) . .
C2A C3A C23A C26A 170.3(2) . .
C4A C3A C23A C24A -131.2(2) . .
C2A C3A C23A C24A 50.2(3) . .
C4A C3A C23A C25A 109.6(2) . .
C2A C3A C23A C25A -69.0(3) . .
C9A C10A C27A C28A -173.7(2) . .
C11A C10A C27A C28A 9.4(3) . .
C9A C10A C27A C29A 66.1(3) . .
C11A C10A C27A C29A -110.8(2) . .
C9A C10A C27A C30A -54.2(3) . .
C11A C10A C27A C30A 128.9(2) . .
C4B O1B C1B C2B 57.0(3) . .
C3B O2B C2B C1B 55.4(3) . .
O1B C1B C2B O2B -55.8(3) . .
C2B O2B C3B C4B -57.8(3) . .
C1B O1B C4B C3B -59.6(3) . .
O2B C3B C4B O1B 61.1(3) . .
C2E O1E C1E C2E -58.3(2) . 2_556
C1E O1E C2E C1E 58.6(2) . 2_556
C4D O1D C1D C2D -62.2(4) . .
C3D O2D C2D C1D -55.8(4) . .
O1D C1D C2D O2D 60.5(4) . .
C2D O2D C3D C4D 56.0(5) . .
C1D O1D C4D C3D 60.1(4) . .
O2D C3D C4D O1D -59.3(5) . .
