#------------------------------------------------------------------------------
#$Date: 2019-09-16 10:49:51 +0300 (Mon, 16 Sep 2019) $
#$Revision: 218303 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/23/38/7233857.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_7233857
loop_
_publ_author_name
'Jibin Sun'
'Xiaofeng Lu'
'Manabu Ishikawa'
'Yoshiaki Nakano'
'Shangxi Zhang'
'Jinlian Zhao,'
'Yongliang Shao'
'Zhaohui Wang'
'Hideki Yamochi'
'Xiangfeng Shao'
_publ_section_title
;
 Inclusion complexes of fullerenes with flexible tetrathiafulvalene
 derivatives bearing four aryls through sulfur bridges
;
_journal_name_full               'Journal of Materials Chemistry C'
_journal_page_first              8071
_journal_page_last               8076
_journal_paper_doi               10.1039/C4TC01362J
_journal_volume                  2
_journal_year                    2014
_chemical_formula_moiety         'C186 H38 Cl2 S8'
_chemical_formula_sum            'C186 H38 Cl2 S8'
_chemical_formula_weight         2599.54
_chemical_name_common            (TTF3)(C70)2(PhCl)2
_chemical_name_systematic
;
(TTF3)(C70)2(PhCl)2
;
_chemical_temperature_decomposition 495
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 90.3070(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   21.5671(18)
_cell_length_b                   21.3847(17)
_cell_length_c                   45.525(4)
_cell_measurement_reflns_used    7894
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.63
_cell_measurement_theta_min      2.30
_cell_volume                     20996(3)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_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    shelxs97
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 8.3333
_diffrn_measured_fraction_theta_full 0.901
_diffrn_measured_fraction_theta_max 0.901
_diffrn_measurement_device_type  'Bruker SMART ApexII CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed X-ray tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0499
_diffrn_reflns_av_sigmaI/netI    0.0833
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       59
_diffrn_reflns_limit_l_min       -62
_diffrn_reflns_number            123704
_diffrn_reflns_theta_full        29.30
_diffrn_reflns_theta_max         29.30
_diffrn_reflns_theta_min         1.31
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.296
_exptl_absorpt_correction_T_max  0.9882
_exptl_absorpt_correction_T_min  0.8907
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.645
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             10528
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.04
_refine_diff_density_max         0.867
_refine_diff_density_min         -0.718
_refine_diff_density_rms         0.091
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.097
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           fullcycle
_refine_ls_number_parameters     3529
_refine_ls_number_reflns         51781
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.097
_refine_ls_R_factor_all          0.1321
_refine_ls_R_factor_gt           0.0820
_refine_ls_shift/su_max          0.009
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0413P)²+81.4009P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1739
_refine_ls_wR_factor_ref         0.1911
_reflns_number_gt                33655
_reflns_number_total             51781
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            1000003.cif
_cod_data_source_block           PCOD1000003
_cod_depositor_comments
;
The following automatic conversions were performed:

data name '_chemical_melting_point' was changed to
'_chemical_temperature_decomposition' since the value had been '495,
decomposed'. The value '495, decomposed' was changed to '495'.

data item '_exptl_crystal_density_meas' value 'not measured' was
changed to '?' -- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 6909 2019-04-08 15:41:33Z antanas 
;
_cod_original_sg_symbol_H-M      P21/c
_cod_database_code               7233857
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1A C 0.52050(16) 0.23145(17) 0.76285(8) 0.0125(7) Uani 1 1 d . . .
C2A C 0.52120(16) 0.23303(17) 0.73341(8) 0.0109(7) Uani 1 1 d . . .
C3A C 0.47947(17) 0.23289(18) 0.81589(8) 0.0148(8) Uani 1 1 d . . .
C4A C 0.52427(17) 0.18962(19) 0.81613(8) 0.0155(8) Uani 1 1 d . . .
C5A C 0.47750(17) 0.23767(18) 0.68057(8) 0.0154(8) Uani 1 1 d . . .
C6A C 0.52173(17) 0.19373(18) 0.67993(8) 0.0150(8) Uani 1 1 d . . .
C7A C 0.45363(19) 0.3235(2) 0.85615(8) 0.0190(8) Uani 1 1 d . . .
C8A C 0.51571(19) 0.3402(2) 0.85635(8) 0.0205(9) Uani 1 1 d . . .
H8A H 0.5454 0.3128 0.8491 0.025 Uiso 1 1 calc R . .
C9A C 0.5331(2) 0.3981(2) 0.86754(9) 0.0236(9) Uani 1 1 d . . .
H9A H 0.5747 0.4096 0.8672 0.028 Uiso 1 1 calc R . .
C10A C 0.4900(2) 0.4394(2) 0.87928(9) 0.0250(10) Uani 1 1 d . . .
C11A C 0.4282(2) 0.4220(2) 0.87846(10) 0.0298(10) Uani 1 1 d . . .
H11A H 0.3985 0.4493 0.8858 0.036 Uiso 1 1 calc R . .
C12A C 0.4093(2) 0.3648(2) 0.86693(9) 0.0288(10) Uani 1 1 d . . .
H12A H 0.3675 0.3542 0.8664 0.035 Uiso 1 1 calc R . .
C13A C 0.5107(2) 0.5004(2) 0.89250(10) 0.0335(11) Uani 1 1 d . . .
H13A H 0.5549 0.5040 0.8910 0.050 Uiso 1 1 calc R . .
H13B H 0.4989 0.5018 0.9128 0.050 Uiso 1 1 calc R . .
H13C H 0.4913 0.5344 0.8821 0.050 Uiso 1 1 calc R . .
C14A C 0.61662(17) 0.14798(19) 0.85368(8) 0.0158(8) Uani 1 1 d . . .
C15A C 0.64994(19) 0.2014(2) 0.84771(8) 0.0196(8) Uani 1 1 d . . .
H15A H 0.6320 0.2340 0.8371 0.024 Uiso 1 1 calc R . .
C16A C 0.71076(19) 0.2059(2) 0.85768(8) 0.0210(9) Uani 1 1 d . . .
H16A H 0.7339 0.2411 0.8528 0.025 Uiso 1 1 calc R . .
C17A C 0.73796(18) 0.1594(2) 0.87477(8) 0.0219(9) Uani 1 1 d . . .
C18A C 0.70357(19) 0.1059(2) 0.88012(8) 0.0208(9) Uani 1 1 d . . .
H18A H 0.7212 0.0739 0.8912 0.025 Uiso 1 1 calc R . .
C19A C 0.64393(18) 0.0990(2) 0.86949(8) 0.0178(8) Uani 1 1 d . . .
H19A H 0.6221 0.0622 0.8728 0.021 Uiso 1 1 calc R . .
C20A C 0.8033(2) 0.1665(3) 0.88665(10) 0.0355(12) Uani 1 1 d . . .
H20A H 0.8197 0.2062 0.8808 0.053 Uiso 1 1 calc R . .
H20B H 0.8288 0.1336 0.8790 0.053 Uiso 1 1 calc R . .
H20C H 0.8026 0.1640 0.9077 0.053 Uiso 1 1 calc R . .
C21A C 0.45101(19) 0.32991(19) 0.64108(8) 0.0180(8) Uani 1 1 d . . .
C22A C 0.5133(2) 0.3459(2) 0.64209(9) 0.0227(9) Uani 1 1 d . . .
H22A H 0.5421 0.3184 0.6502 0.027 Uiso 1 1 calc R . .
C23A C 0.5325(2) 0.4029(2) 0.63101(9) 0.0260(10) Uani 1 1 d . . .
H23A H 0.5743 0.4136 0.6320 0.031 Uiso 1 1 calc R . .
C24A C 0.4907(2) 0.4446(2) 0.61847(9) 0.0259(10) Uani 1 1 d . . .
C25A C 0.4288(2) 0.4275(2) 0.61738(10) 0.0300(11) Uani 1 1 d . . .
H25A H 0.4001 0.4546 0.6089 0.036 Uiso 1 1 calc R . .
C26A C 0.4084(2) 0.3705(2) 0.62879(9) 0.0261(10) Uani 1 1 d . . .
H26A H 0.3666 0.3600 0.6281 0.031 Uiso 1 1 calc R . .
C27A C 0.5131(3) 0.5053(2) 0.60571(10) 0.0368(12) Uani 1 1 d . . .
H27A H 0.5571 0.5087 0.6085 0.055 Uiso 1 1 calc R . .
H27B H 0.4928 0.5395 0.6154 0.055 Uiso 1 1 calc R . .
H27C H 0.5037 0.5065 0.5851 0.055 Uiso 1 1 calc R . .
C28A C 0.61229(17) 0.15736(19) 0.64052(8) 0.0165(8) Uani 1 1 d . . .
C29A C 0.64304(18) 0.21328(19) 0.64613(9) 0.0197(8) Uani 1 1 d . . .
H29A H 0.6241 0.2443 0.6572 0.024 Uiso 1 1 calc R . .
C30A C 0.70207(19) 0.2225(2) 0.63514(9) 0.0212(9) Uani 1 1 d . . .
H30A H 0.7227 0.2597 0.6393 0.025 Uiso 1 1 calc R . .
C31A C 0.73107(19) 0.1780(2) 0.61819(9) 0.0231(9) Uani 1 1 d . . .
C32A C 0.70004(18) 0.1220(2) 0.61300(9) 0.0214(9) Uani 1 1 d . . .
H32A H 0.7189 0.0912 0.6017 0.026 Uiso 1 1 calc R . .
C33A C 0.64197(18) 0.11133(19) 0.62433(8) 0.0177(8) Uani 1 1 d . . .
H33A H 0.6225 0.0731 0.6211 0.021 Uiso 1 1 calc R . .
C34A C 0.7946(2) 0.1895(3) 0.60521(11) 0.0377(12) Uani 1 1 d . . .
H34A H 0.8072 0.1535 0.5942 0.056 Uiso 1 1 calc R . .
H34B H 0.8239 0.1971 0.6208 0.056 Uiso 1 1 calc R . .
H34C H 0.7929 0.2253 0.5925 0.056 Uiso 1 1 calc R . .
S1A S 0.46925(4) 0.27700(5) 0.78370(2) 0.01607(19) Uani 1 1 d . . .
S2A S 0.56834(4) 0.18165(5) 0.78375(2) 0.01573(19) Uani 1 1 d . . .
S3A S 0.47069(4) 0.28124(5) 0.71329(2) 0.01549(19) Uani 1 1 d . . .
S4A S 0.56770(4) 0.18435(5) 0.71185(2) 0.01564(19) Uani 1 1 d . . .
S5A S 0.42820(5) 0.24779(5) 0.84492(2) 0.0220(2) Uani 1 1 d . . .
S6A S 0.53689(5) 0.13665(5) 0.84471(2) 0.0221(2) Uani 1 1 d . . .
S7A S 0.42460(5) 0.25461(5) 0.65231(2) 0.0220(2) Uani 1 1 d . . .
S8A S 0.53407(5) 0.14234(5) 0.65058(2) 0.0227(2) Uani 1 1 d . . .
C1B C 0.01493(17) 0.26474(17) 0.26371(8) 0.0135(7) Uani 1 1 d . . .
C2B C 0.01697(16) 0.26634(17) 0.23429(8) 0.0112(7) Uani 1 1 d . . .
C3B C 0.01597(19) 0.30446(19) 0.31727(8) 0.0183(8) Uani 1 1 d . . .
C4B C -0.02944(18) 0.26102(18) 0.31610(8) 0.0164(8) Uani 1 1 d . . .
C5B C 0.02398(17) 0.31168(19) 0.18193(8) 0.0153(8) Uani 1 1 d . . .
C6B C -0.02059(17) 0.26809(18) 0.18048(8) 0.0146(8) Uani 1 1 d . . .
C7B C 0.10739(18) 0.34084(19) 0.35648(8) 0.0185(8) Uani 1 1 d . . .
C8B C 0.1380(2) 0.2848(2) 0.35138(9) 0.0229(9) Uani 1 1 d . . .
H8B H 0.1186 0.2530 0.3408 0.028 Uiso 1 1 calc R . .
C9B C 0.1978(2) 0.2763(2) 0.36215(9) 0.0259(9) Uani 1 1 d . . .
H9B H 0.2182 0.2389 0.3584 0.031 Uiso 1 1 calc R . .
C10B C 0.2280(2) 0.3222(2) 0.37840(9) 0.0246(9) Uani 1 1 d . . .
C11B C 0.19685(19) 0.3781(2) 0.38293(9) 0.0246(9) Uani 1 1 d . . .
H11B H 0.2163 0.4097 0.3936 0.029 Uiso 1 1 calc R . .
C12B C 0.13770(19) 0.3881(2) 0.37207(8) 0.0204(9) Uani 1 1 d . . .
H12B H 0.1181 0.4263 0.3751 0.025 Uiso 1 1 calc R . .
C13B C 0.2919(2) 0.3112(3) 0.39046(12) 0.0417(13) Uani 1 1 d . . .
H13D H 0.3056 0.2700 0.3850 0.062 Uiso 1 1 calc R . .
H13E H 0.2912 0.3146 0.4115 0.062 Uiso 1 1 calc R . .
H13F H 0.3199 0.3417 0.3826 0.062 Uiso 1 1 calc R . .
C14B C -0.05550(19) 0.17047(19) 0.35663(8) 0.0195(8) Uani 1 1 d . . .
C15B C 0.0058(2) 0.1523(2) 0.35507(9) 0.0224(9) Uani 1 1 d . . .
H15B H 0.0346 0.1779 0.3459 0.027 Uiso 1 1 calc R . .
C16B C 0.0244(2) 0.0957(2) 0.36716(8) 0.0218(9) Uani 1 1 d . . .
H16B H 0.0657 0.0835 0.3656 0.026 Uiso 1 1 calc R . .
C17B C -0.0172(2) 0.0570(2) 0.38158(8) 0.0227(9) Uani 1 1 d . . .
C18B C -0.0786(2) 0.0753(2) 0.38261(9) 0.0284(10) Uani 1 1 d . . .
H18B H -0.1074 0.0496 0.3918 0.034 Uiso 1 1 calc R . .
C19B C -0.0985(2) 0.1313(2) 0.37015(9) 0.0256(10) Uani 1 1 d . . .
H19B H -0.1401 0.1426 0.3708 0.031 Uiso 1 1 calc R . .
C20B C 0.0053(2) -0.0024(2) 0.39597(9) 0.0294(10) Uani 1 1 d . . .
H20D H 0.0491 -0.0069 0.3928 0.044 Uiso 1 1 calc R . .
H20E H -0.0160 -0.0376 0.3876 0.044 Uiso 1 1 calc R . .
H20F H -0.0027 -0.0007 0.4167 0.044 Uiso 1 1 calc R . .
C21B C 0.11615(17) 0.35477(19) 0.14527(8) 0.0165(8) Uani 1 1 d . . .
C22B C 0.14929(18) 0.30066(19) 0.15125(8) 0.0182(8) Uani 1 1 d . . .
H22B H 0.1312 0.2688 0.1621 0.022 Uiso 1 1 calc R . .
C23B C 0.20963(18) 0.2941(2) 0.14094(8) 0.0193(8) Uani 1 1 d . . .
H23B H 0.2320 0.2583 0.1456 0.023 Uiso 1 1 calc R . .
C24B C 0.23715(18) 0.3400(2) 0.12384(8) 0.0199(9) Uani 1 1 d . . .
C25B C 0.20292(18) 0.3944(2) 0.11809(8) 0.0197(9) Uani 1 1 d . . .
H25B H 0.2204 0.4260 0.1068 0.024 Uiso 1 1 calc R . .
C26B C 0.14394(18) 0.40192(19) 0.12890(8) 0.0171(8) Uani 1 1 d . . .
H26B H 0.1225 0.4388 0.1252 0.021 Uiso 1 1 calc R . .
C27B C 0.3008(2) 0.3311(3) 0.11140(10) 0.0313(11) Uani 1 1 d . . .
H27D H 0.3122 0.3675 0.1003 0.047 Uiso 1 1 calc R . .
H27E H 0.3010 0.2951 0.0988 0.047 Uiso 1 1 calc R . .
H27F H 0.3300 0.3251 0.1271 0.047 Uiso 1 1 calc R . .
C28B C -0.04278(19) 0.17705(19) 0.14055(8) 0.0185(8) Uani 1 1 d . . .
C29B C 0.01901(19) 0.1604(2) 0.14192(8) 0.0201(9) Uani 1 1 d . . .
H29B H 0.0480 0.1885 0.1494 0.024 Uiso 1 1 calc R . .
C30B C 0.0381(2) 0.1021(2) 0.13227(8) 0.0223(9) Uani 1 1 d . . .
H30B H 0.0798 0.0914 0.1336 0.027 Uiso 1 1 calc R . .
C31B C -0.0042(2) 0.0593(2) 0.12060(8) 0.0248(10) Uani 1 1 d . . .
C32B C -0.0661(2) 0.0766(2) 0.11944(9) 0.0301(11) Uani 1 1 d . . .
H32B H -0.0951 0.0488 0.1118 0.036 Uiso 1 1 calc R . .
C33B C -0.0859(2) 0.1346(2) 0.12945(9) 0.0263(10) Uani 1 1 d . . .
H33B H -0.1277 0.1451 0.1287 0.032 Uiso 1 1 calc R . .
C34B C 0.0177(3) -0.0028(2) 0.10900(10) 0.0351(12) Uani 1 1 d . . .
H34D H 0.0617 -0.0062 0.1117 0.053 Uiso 1 1 calc R . .
H34E H 0.0078 -0.0059 0.0885 0.053 Uiso 1 1 calc R . .
H34F H -0.0026 -0.0360 0.1194 0.053 Uiso 1 1 calc R . .
S1B S 0.06203(4) 0.31308(5) 0.28581(2) 0.0170(2) Uani 1 1 d . . .
S2B S -0.03776(4) 0.21852(5) 0.28344(2) 0.01594(19) Uani 1 1 d . . .
S3B S 0.06620(4) 0.31717(5) 0.21515(2) 0.01542(19) Uani 1 1 d . . .
S4B S -0.03232(4) 0.22160(5) 0.21199(2) 0.01504(19) Uani 1 1 d . . .
S5B S 0.02856(5) 0.35537(5) 0.34691(2) 0.0246(2) Uani 1 1 d . . .
S6B S -0.08236(5) 0.24480(5) 0.34431(2) 0.0241(2) Uani 1 1 d . . .
S7B S 0.03730(5) 0.36700(5) 0.15448(2) 0.0225(2) Uani 1 1 d . . .
S8B S -0.06891(5) 0.25303(5) 0.15028(2) 0.0226(2) Uani 1 1 d . . .
C1C C 0.0705(2) 0.0649(2) 0.49924(11) 0.0301(11) Uani 1 1 d . . .
C2C C 0.0586(2) 0.0815(2) 0.46878(11) 0.0289(10) Uani 1 1 d . . .
C3C C -0.0070(2) 0.0970(2) 0.46605(11) 0.0293(11) Uani 1 1 d . . .
C4C C -0.0352(2) 0.0905(2) 0.49421(11) 0.0277(10) Uani 1 1 d . . .
C5C C 0.0126(2) 0.0717(2) 0.51479(11) 0.0306(11) Uani 1 1 d . . .
C6C C 0.1265(2) 0.0829(2) 0.51253(10) 0.0284(10) Uani 1 1 d . . .
C7C C 0.1717(2) 0.1170(2) 0.49611(10) 0.0268(10) Uani 1 1 d . . .
C8C C 0.19957(19) 0.1629(2) 0.51555(10) 0.0252(10) Uani 1 1 d . . .
C9C C 0.17124(19) 0.1568(2) 0.54410(9) 0.0232(9) Uani 1 1 d . . .
C10C C 0.1253(2) 0.1070(2) 0.54245(10) 0.0261(10) Uani 1 1 d . . .
C11C C 0.21378(17) 0.2219(2) 0.50494(10) 0.0242(9) Uani 1 1 d . . .
C12C C 0.20162(18) 0.2377(2) 0.47450(10) 0.0267(10) Uani 1 1 d . . .
C13C C 0.18178(19) 0.3022(2) 0.47314(10) 0.0272(10) Uani 1 1 d . . .
C14C C 0.18121(18) 0.3269(2) 0.50258(10) 0.0250(10) Uani 1 1 d . . .
C15C C 0.20079(17) 0.2768(2) 0.52207(10) 0.0224(9) Uani 1 1 d . . .
C16C C 0.0123(2) 0.0950(2) 0.54303(10) 0.0303(11) Uani 1 1 d . . .
C17C C 0.0700(2) 0.1132(2) 0.55742(10) 0.0285(10) Uani 1 1 d . . .
C18C C 0.0569(2) 0.1685(2) 0.57425(9) 0.0271(10) Uani 1 1 d . . .
C19C C -0.0084(2) 0.1837(2) 0.57100(9) 0.0274(10) Uani 1 1 d . . .
C20C C -0.0357(2) 0.1388(2) 0.55174(10) 0.0295(11) Uani 1 1 d . . .
C21C C 0.1017(2) 0.1146(2) 0.45339(9) 0.0276(10) Uani 1 1 d . . .
C22C C 0.0827(2) 0.1645(2) 0.43368(9) 0.0279(10) Uani 1 1 d . . .
C23C C 0.1272(2) 0.2132(2) 0.43535(9) 0.0274(10) Uani 1 1 d . . .
C24C C 0.17503(19) 0.1941(2) 0.45603(9) 0.0267(10) Uani 1 1 d . . .
C25C C 0.1599(2) 0.1325(2) 0.46694(10) 0.0292(11) Uani 1 1 d . . .
C26C C 0.10024(19) 0.2159(2) 0.57603(8) 0.0229(9) Uani 1 1 d . . .
C27C C 0.08046(19) 0.2801(2) 0.57439(8) 0.0225(9) Uani 1 1 d . . .
C28C C 0.12563(19) 0.3146(2) 0.55790(9) 0.0227(9) Uani 1 1 d . . .
C29C C 0.17371(18) 0.2712(2) 0.54927(9) 0.0223(9) Uani 1 1 d . . .
C30C C 0.15847(19) 0.2102(2) 0.56074(9) 0.0229(9) Uani 1 1 d . . .
C31C C -0.13857(18) 0.3128(2) 0.51954(9) 0.0243(10) Uani 1 1 d . . .
C32C C -0.10097(18) 0.3202(2) 0.54577(9) 0.0248(10) Uani 1 1 d . . .
C33C C -0.08608(19) 0.2586(2) 0.55706(9) 0.0268(10) Uani 1 1 d . . .
C34C C -0.11352(19) 0.2131(2) 0.53782(9) 0.0277(10) Uani 1 1 d . . .
C35C C -0.14567(17) 0.2466(2) 0.51458(10) 0.0248(10) Uani 1 1 d . . .
C36C C -0.13138(18) 0.3533(2) 0.49594(9) 0.0238(9) Uani 1 1 d . . .
C37C C -0.0857(2) 0.4035(2) 0.49760(10) 0.0251(10) Uani 1 1 d . . .
C38C C -0.0570(2) 0.4093(2) 0.46919(10) 0.0265(10) Uani 1 1 d . . .
C39C C -0.0852(2) 0.3634(2) 0.44967(9) 0.0241(9) Uani 1 1 d . . .
C40C C -0.13105(18) 0.3287(2) 0.46635(9) 0.0232(9) Uani 1 1 d . . .
C41C C 0.0057(2) 0.4216(2) 0.46720(10) 0.0294(10) Uani 1 1 d . . .
C42C C 0.0429(2) 0.42853(19) 0.49362(11) 0.0284(10) Uani 1 1 d . . .
C43C C 0.1031(2) 0.4012(2) 0.48820(11) 0.0291(10) Uani 1 1 d . . .
C44C C 0.1038(2) 0.3771(2) 0.45914(11) 0.0308(11) Uani 1 1 d . . .
C45C C 0.0439(2) 0.3890(2) 0.44601(10) 0.0314(11) Uani 1 1 d . . .
C46C C -0.0498(2) 0.4097(2) 0.52293(10) 0.0264(10) Uani 1 1 d . . .
C47C C -0.0576(2) 0.3670(2) 0.54743(9) 0.0250(10) Uani 1 1 d . . .
C48C C 0.00273(19) 0.3553(2) 0.56016(9) 0.0233(9) Uani 1 1 d . . .
C49C C 0.0475(2) 0.3893(2) 0.54393(9) 0.0246(10) Uani 1 1 d . . .
C50C C 0.0159(2) 0.42263(19) 0.52088(10) 0.0258(10) Uani 1 1 d . . .
C51C C 0.0173(2) 0.3452(2) 0.42757(9) 0.0296(11) Uani 1 1 d . . .
C52C C -0.0484(2) 0.3320(2) 0.42916(9) 0.0266(10) Uani 1 1 d . . .
C53C C -0.0557(2) 0.2660(2) 0.42455(8) 0.0235(9) Uani 1 1 d . . .
C54C C 0.0044(2) 0.2386(2) 0.41962(8) 0.0260(10) Uani 1 1 d . . .
C55C C 0.0493(2) 0.2880(2) 0.42132(9) 0.0289(10) Uani 1 1 d . . .
C56C C -0.09957(19) 0.2328(2) 0.44044(9) 0.0245(10) Uani 1 1 d . . .
C57C C -0.13782(18) 0.2653(2) 0.46163(9) 0.0222(9) Uani 1 1 d . . .
C58C C -0.14554(17) 0.2232(2) 0.48633(10) 0.0238(9) Uani 1 1 d . . .
C59C C -0.11275(19) 0.1660(2) 0.48014(10) 0.0259(10) Uani 1 1 d . . .
C60C C -0.08495(19) 0.1720(2) 0.45199(9) 0.0229(9) Uani 1 1 d . . .
C61C C 0.0185(2) 0.1771(2) 0.42885(9) 0.0264(10) Uani 1 1 d . . .
C62C C -0.0272(2) 0.1424(2) 0.44548(9) 0.0263(10) Uani 1 1 d . . .
C63C C -0.08459(19) 0.1301(2) 0.50261(11) 0.0268(10) Uani 1 1 d . . .
C64C C -0.08492(19) 0.1549(2) 0.53269(10) 0.0273(10) Uani 1 1 d . . .
C65C C -0.0292(2) 0.2465(2) 0.57158(8) 0.0259(10) Uani 1 1 d . . .
C66C C 0.01664(19) 0.2969(2) 0.57326(8) 0.0231(9) Uani 1 1 d . . .
C67C C 0.10839(19) 0.36589(19) 0.53992(10) 0.0226(9) Uani 1 1 d . . .
C68C C 0.13734(19) 0.3720(2) 0.51133(10) 0.0260(10) Uani 1 1 d . . .
C69C C 0.1384(2) 0.3233(2) 0.45173(10) 0.0284(10) Uani 1 1 d . . .
C70C C 0.1100(2) 0.2763(2) 0.43221(9) 0.0268(10) Uani 1 1 d . . .
C1D C 0.71397(18) 0.2227(2) 0.99300(10) 0.0264(10) Uani 1 1 d . . .
C2D C 0.70242(18) 0.2392(2) 1.02336(10) 0.0282(10) Uani 1 1 d . . .
C3D C 0.68249(19) 0.3035(2) 1.02432(10) 0.0302(11) Uani 1 1 d . . .
C4D C 0.68101(19) 0.3274(2) 0.99512(11) 0.0287(10) Uani 1 1 d . . .
C5D C 0.69992(18) 0.2772(2) 0.97559(10) 0.0261(10) Uani 1 1 d . . .
C6D C 0.69963(19) 0.1633(2) 0.98246(9) 0.0254(10) Uani 1 1 d . . .
C7D C 0.6725(2) 0.1176(2) 1.00224(10) 0.0287(10) Uani 1 1 d . . .
C8D C 0.6260(2) 0.0828(2) 0.98592(11) 0.0300(11) Uani 1 1 d . . .
C9D C 0.6249(2) 0.1067(2) 0.95613(10) 0.0301(11) Uani 1 1 d . . .
C10D C 0.6701(2) 0.1565(2) 0.95409(9) 0.0249(9) Uani 1 1 d . . .
C11D C 0.6618(2) 0.1338(2) 1.03145(10) 0.0290(11) Uani 1 1 d . . .
C12D C 0.67706(19) 0.1950(2) 1.04192(9) 0.0291(11) Uani 1 1 d . . .
C13D C 0.6300(2) 0.2145(2) 1.06269(9) 0.0303(11) Uani 1 1 d . . .
C14D C 0.5854(2) 0.1657(2) 1.06477(9) 0.0290(11) Uani 1 1 d . . .
C15D C 0.6041(2) 0.1153(2) 1.04528(10) 0.0321(11) Uani 1 1 d . . .
C16D C 0.5603(2) 0.0820(2) 1.02985(11) 0.0293(11) Uani 1 1 d . . .
C17D C 0.4951(2) 0.0974(2) 1.03305(11) 0.0296(10) Uani 1 1 d . . .
C18D C 0.4661(2) 0.0904(2) 1.00508(11) 0.0307(11) Uani 1 1 d . . .
C19D C 0.5135(2) 0.0712(2) 0.98416(12) 0.0340(11) Uani 1 1 d . . .
C20D C 0.5715(2) 0.0650(2) 0.99973(11) 0.0325(11) Uani 1 1 d . . .
C21D C 0.5121(2) 0.0943(2) 0.95615(11) 0.0321(11) Uani 1 1 d . . .
C22D C 0.4631(2) 0.1370(2) 0.94685(10) 0.0320(11) Uani 1 1 d . . .
C23D C 0.4897(2) 0.1818(2) 0.92760(9) 0.0292(10) Uani 1 1 d . . .
C24D C 0.5548(2) 0.1673(2) 0.92423(9) 0.0285(10) Uani 1 1 d . . .
C25D C 0.5684(2) 0.1125(2) 0.94155(10) 0.0303(11) Uani 1 1 d . . .
C26D C 0.5977(2) 0.2147(2) 0.92231(9) 0.0271(10) Uani 1 1 d . . .
C27D C 0.65686(19) 0.2095(2) 0.93746(9) 0.0240(9) Uani 1 1 d . . .
C28D C 0.67185(19) 0.2709(2) 0.94846(9) 0.0246(9) Uani 1 1 d . . .
C29D C 0.62316(19) 0.3135(2) 0.93955(9) 0.0247(10) Uani 1 1 d . . .
C30D C 0.57747(19) 0.2787(2) 0.92370(8) 0.0241(9) Uani 1 1 d . . .
C31D C 0.5062(2) 0.4218(2) 1.03035(11) 0.0328(11) Uani 1 1 d . . .
C32D C 0.5446(2) 0.3899(2) 1.05166(11) 0.0340(12) Uani 1 1 d . . .
C33D C 0.6047(2) 0.3780(2) 1.03823(11) 0.0328(11) Uani 1 1 d . . .
C34D C 0.6030(2) 0.4013(2) 1.00904(11) 0.0301(11) Uani 1 1 d . . .
C35D C 0.5420(2) 0.42872(19) 1.00380(11) 0.0301(11) Uani 1 1 d . . .
C36D C 0.4433(2) 0.4093(2) 1.02882(10) 0.0283(10) Uani 1 1 d . . .
C37D C 0.4163(2) 0.3636(2) 1.04835(9) 0.0259(10) Uani 1 1 d . . .
C38D C 0.36965(19) 0.3286(2) 1.03213(9) 0.0232(9) Uani 1 1 d . . .
C39D C 0.36868(19) 0.3530(2) 1.00230(10) 0.0261(10) Uani 1 1 d . . .
C40D C 0.4137(2) 0.4024(2) 1.00014(10) 0.0277(10) Uani 1 1 d . . .
C41D C 0.36351(18) 0.2647(2) 1.03709(9) 0.0234(9) Uani 1 1 d . . .
C42D C 0.40255(19) 0.2333(2) 1.05817(9) 0.0240(9) Uani 1 1 d . . .
C43D C 0.4175(2) 0.1723(2) 1.04702(10) 0.0268(10) Uani 1 1 d . . .
C44D C 0.38858(19) 0.1653(2) 1.01879(10) 0.0247(9) Uani 1 1 d . . .
C45D C 0.35537(18) 0.2223(2) 1.01241(10) 0.0254(10) Uani 1 1 d . . .
C46D C 0.4463(2) 0.2670(2) 1.07376(8) 0.0261(10) Uani 1 1 d . . .
C47D C 0.5077(2) 0.2404(2) 1.07883(8) 0.0282(11) Uani 1 1 d . . .
C48D C 0.5519(2) 0.2892(2) 1.07678(8) 0.0294(11) Uani 1 1 d . . .
C49D C 0.5190(2) 0.3468(2) 1.07037(9) 0.0297(11) Uani 1 1 d . . .
C50D C 0.4537(2) 0.3331(2) 1.06871(9) 0.0272(10) Uani 1 1 d . . .
C51D C 0.4489(2) 0.4089(2) 0.97473(10) 0.0286(10) Uani 1 1 d . . .
C52D C 0.5145(2) 0.4219(2) 0.97677(11) 0.0291(10) Uani 1 1 d . . .
C53D C 0.5450(2) 0.3881(2) 0.95345(10) 0.0270(10) Uani 1 1 d . . .
C54D C 0.5000(2) 0.3535(2) 0.93743(9) 0.0265(10) Uani 1 1 d . . .
C55D C 0.4402(2) 0.3664(2) 0.95079(9) 0.0275(10) Uani 1 1 d . . .
C56D C 0.36016(18) 0.3111(2) 0.97890(9) 0.0250(10) Uani 1 1 d . . .
C57D C 0.35393(18) 0.2454(2) 0.98411(10) 0.0271(10) Uani 1 1 d . . .
C58D C 0.38533(19) 0.2118(2) 0.96100(9) 0.0272(10) Uani 1 1 d . . .
C59D C 0.41193(19) 0.2570(2) 0.94159(9) 0.0281(11) Uani 1 1 d . . .
C60D C 0.39694(19) 0.3182(2) 0.95257(9) 0.0246(10) Uani 1 1 d . . .
C61D C 0.4142(2) 0.1535(2) 0.96623(10) 0.0294(10) Uani 1 1 d . . .
C62D C 0.4161(2) 0.1291(2) 0.99650(11) 0.0313(11) Uani 1 1 d . . .
C63D C 0.4753(2) 0.1432(2) 1.05335(10) 0.0272(10) Uani 1 1 d . . .
C64D C 0.5219(2) 0.1784(2) 1.06975(9) 0.0284(11) Uani 1 1 d . . .
C65D C 0.6125(2) 0.2779(2) 1.06553(9) 0.0304(11) Uani 1 1 d . . .
C66D C 0.6399(2) 0.3239(2) 1.04582(10) 0.0311(11) Uani 1 1 d . . .
C67D C 0.6368(2) 0.3721(2) 0.98616(11) 0.0290(10) Uani 1 1 d . . .
C68D C 0.6067(2) 0.3650(2) 0.95740(10) 0.0254(10) Uani 1 1 d . . .
C69D C 0.5139(2) 0.2947(2) 0.92467(8) 0.0249(10) Uani 1 1 d . . .
C70D C 0.4684(2) 0.2445(2) 0.92674(8) 0.0256(10) Uani 1 1 d . . .
C1E C 0.3644(2) 0.3743(2) 0.29297(11) 0.0349(12) Uani 1 1 d . . .
C2E C 0.4223(2) 0.3943(2) 0.27980(11) 0.0349(12) Uani 1 1 d . . .
C3E C 0.4382(2) 0.4533(3) 0.29298(12) 0.0385(13) Uani 1 1 d . . .
C4E C 0.3911(2) 0.4700(2) 0.31448(10) 0.0307(11) Uani 1 1 d . . .
C5E C 0.3451(2) 0.4205(2) 0.31433(10) 0.0320(11) Uani 1 1 d . . .
C6E C 0.3202(2) 0.3444(2) 0.27580(11) 0.0325(11) Uani 1 1 d . . .
C7E C 0.3310(3) 0.3339(2) 0.24492(12) 0.0374(12) Uani 1 1 d . . .
C8E C 0.2729(2) 0.3435(2) 0.22984(11) 0.0339(11) Uani 1 1 d . . .
C9E C 0.2262(2) 0.3594(2) 0.25115(10) 0.0314(11) Uani 1 1 d . . .
C10E C 0.2551(2) 0.3590(2) 0.27928(11) 0.0306(11) Uani 1 1 d . . .
C11E C 0.2715(3) 0.3711(2) 0.20225(11) 0.0382(12) Uani 1 1 d . . .
C12E C 0.2246(2) 0.4162(2) 0.19591(10) 0.0311(11) Uani 1 1 d . . .
C13E C 0.2523(2) 0.4645(3) 0.17802(9) 0.0365(12) Uani 1 1 d . . .
C14E C 0.3159(3) 0.4491(2) 0.17401(10) 0.0369(12) Uani 1 1 d . . .
C15E C 0.3292(3) 0.3918(2) 0.18912(11) 0.0379(12) Uani 1 1 d . . .
C16E C 0.3605(2) 0.4968(3) 0.17418(9) 0.0329(11) Uani 1 1 d . . .
C17E C 0.3404(2) 0.5603(2) 0.17804(9) 0.0303(11) Uani 1 1 d . . .
C18E C 0.3869(2) 0.5919(2) 0.19592(10) 0.0299(10) Uani 1 1 d . . .
C19E C 0.4339(2) 0.5467(2) 0.20264(10) 0.0299(10) Uani 1 1 d . . .
C20E C 0.4179(2) 0.4875(3) 0.18890(11) 0.0376(12) Uani 1 1 d . . .
C21E C 0.4308(2) 0.4320(3) 0.20399(12) 0.0409(13) Uani 1 1 d . . .
C22E C 0.3846(3) 0.3823(2) 0.20360(12) 0.0412(13) Uani 1 1 d . . .
C23E C 0.3864(2) 0.3537(2) 0.23245(12) 0.0381(12) Uani 1 1 d . . .
C24E C 0.4323(2) 0.3837(2) 0.25007(12) 0.0375(12) Uani 1 1 d . . .
C25E C 0.4603(2) 0.4334(3) 0.23223(12) 0.0390(13) Uani 1 1 d . . .
C26E C 0.47571(19) 0.4892(3) 0.24510(12) 0.0385(13) Uani 1 1 d . . .
C27E C 0.4622(2) 0.5473(3) 0.22987(11) 0.0344(12) Uani 1 1 d . . .
C28E C 0.4439(2) 0.5936(2) 0.25135(10) 0.0301(11) Uani 1 1 d . . .
C29E C 0.4450(2) 0.5640(3) 0.27942(11) 0.0367(12) Uani 1 1 d . . .
C30E C 0.46410(19) 0.5011(3) 0.27577(11) 0.0348(12) Uani 1 1 d . . .
C31E C 0.1474(2) 0.4887(2) 0.21214(11) 0.0337(12) Uani 1 1 d . . .
C32E C 0.1740(2) 0.5364(3) 0.19449(10) 0.0350(12) Uani 1 1 d . . .
C33E C 0.1597(2) 0.5972(3) 0.20797(11) 0.0349(12) Uani 1 1 d . . .
C34E C 0.1238(2) 0.5858(3) 0.23386(13) 0.0394(13) Uani 1 1 d . . .
C35E C 0.11589(18) 0.5183(3) 0.23631(11) 0.0335(12) Uani 1 1 d . . .
C36E C 0.2038(2) 0.6443(2) 0.20814(11) 0.0349(12) Uani 1 1 d . . .
C37E C 0.2638(2) 0.6335(2) 0.19464(10) 0.0305(11) Uani 1 1 d . . .
C38E C 0.3097(2) 0.6648(2) 0.21195(10) 0.0267(10) Uani 1 1 d . . .
C39E C 0.2789(2) 0.6940(2) 0.23680(11) 0.0325(11) Uani 1 1 d . . .
C40E C 0.2123(2) 0.6822(2) 0.23371(11) 0.0342(11) Uani 1 1 d . . .
C41E C 0.1324(2) 0.6215(2) 0.25881(12) 0.0340(11) Uani 1 1 d . . .
C42E C 0.1779(2) 0.6709(2) 0.25872(12) 0.0366(12) Uani 1 1 d . . .
C43E C 0.2081(3) 0.6723(2) 0.28758(12) 0.0387(12) Uani 1 1 d . . .
C44E C 0.1793(3) 0.6230(3) 0.30500(12) 0.0434(14) Uani 1 1 d . . .
C45E C 0.1329(2) 0.5917(3) 0.28755(12) 0.0397(13) Uani 1 1 d . . .
C46E C 0.2702(3) 0.6839(2) 0.29011(11) 0.0399(13) Uani 1 1 d . . .
C47E C 0.3060(2) 0.6948(2) 0.26403(11) 0.0324(11) Uani 1 1 d . . .
C48E C 0.3666(2) 0.6660(2) 0.26815(11) 0.0335(11) Uani 1 1 d . . .
C49E C 0.3680(2) 0.6369(2) 0.29591(10) 0.0340(12) Uani 1 1 d . . .
C50E C 0.3082(3) 0.6480(2) 0.30972(11) 0.0395(13) Uani 1 1 d . . .
C51E C 0.1258(2) 0.5276(3) 0.28982(12) 0.0368(12) Uani 1 1 d . . .
C52E C 0.1169(2) 0.4912(3) 0.26411(12) 0.0377(13) Uani 1 1 d . . .
C53E C 0.1500(2) 0.4319(2) 0.26747(11) 0.0320(11) Uani 1 1 d . . .
C54E C 0.1787(2) 0.4329(2) 0.29655(10) 0.0296(10) Uani 1 1 d . . .
C55E C 0.1637(2) 0.4922(3) 0.30995(11) 0.0362(12) Uani 1 1 d . . .
C56E C 0.2088(2) 0.5221(2) 0.32682(10) 0.0332(11) Uani 1 1 d . . .
C57E C 0.2162(3) 0.5888(2) 0.32462(10) 0.0364(12) Uani 1 1 d . . .
C58E C 0.2817(2) 0.6003(3) 0.32641(10) 0.0349(12) Uani 1 1 d . . .
C59E C 0.3142(2) 0.5428(2) 0.33075(9) 0.0334(11) Uani 1 1 d . . .
C60E C 0.2683(2) 0.4934(2) 0.33074(9) 0.0303(11) Uani 1 1 d . . .
C61E C 0.3738(2) 0.5325(3) 0.31941(10) 0.0351(12) Uani 1 1 d . . .
C62E C 0.4013(2) 0.5819(2) 0.30209(10) 0.0300(11) Uani 1 1 d . . .
C63E C 0.3999(2) 0.6416(2) 0.24440(10) 0.0289(10) Uani 1 1 d . . .
C64E C 0.3705(2) 0.6402(2) 0.21513(10) 0.0271(10) Uani 1 1 d . . .
C65E C 0.2777(2) 0.5776(2) 0.17961(9) 0.0286(10) Uani 1 1 d . . .
C66E C 0.2303(2) 0.5274(2) 0.17941(9) 0.0305(11) Uani 1 1 d . . .
C67E C 0.1760(2) 0.4301(2) 0.21485(10) 0.0304(11) Uani 1 1 d . . .
C68E C 0.1770(2) 0.4003(2) 0.24454(11) 0.0320(11) Uani 1 1 d . . .
C69E C 0.2347(2) 0.4016(2) 0.30204(9) 0.0262(10) Uani 1 1 d . . .
C70E C 0.2820(2) 0.4330(2) 0.31980(10) 0.0316(11) Uani 1 1 d . . .
C1F C 0.2765(2) 0.4699(3) 0.67361(11) 0.0395(13) Uani 1 1 d . . .
C2F C 0.2241(3) 0.5117(3) 0.67223(10) 0.0435(14) Uani 1 1 d . . .
C3F C 0.1679(2) 0.4740(4) 0.67296(10) 0.0547(19) Uani 1 1 d . . .
C4F C 0.1883(3) 0.4095(3) 0.67464(12) 0.0534(17) Uani 1 1 d . . .
C5F C 0.2540(3) 0.4069(3) 0.67396(12) 0.0480(15) Uani 1 1 d . . .
C6F C 0.1548(3) 0.3669(4) 0.69095(15) 0.064(2) Uani 1 1 d . . .
C7F C 0.1025(2) 0.3884(3) 0.70720(14) 0.0546(18) Uani 1 1 d . . .
C8F C 0.1004(3) 0.3567(3) 0.73494(14) 0.0480(15) Uani 1 1 d . . .
C9F C 0.1546(3) 0.3145(3) 0.73551(16) 0.0568(18) Uani 1 1 d . . .
C10F C 0.1869(3) 0.3213(3) 0.70855(15) 0.0554(17) Uani 1 1 d . . .
C11F C 0.1848(3) 0.3049(2) 0.76151(15) 0.0490(15) Uani 1 1 d . . .
C12F C 0.1646(3) 0.3370(3) 0.78805(15) 0.0536(17) Uani 1 1 d . . .
C13F C 0.2188(3) 0.3532(3) 0.80417(13) 0.0530(16) Uani 1 1 d . . .
C14F C 0.2738(3) 0.3320(3) 0.78775(16) 0.0574(18) Uani 1 1 d . . .
C15F C 0.2529(3) 0.3018(2) 0.76125(18) 0.063(2) Uani 1 1 d . . .
C16F C 0.3280(3) 0.3691(3) 0.78734(16) 0.0567(19) Uani 1 1 d . . .
C17F C 0.3297(3) 0.4291(4) 0.80245(13) 0.0558(18) Uani 1 1 d . . .
C18F C 0.3635(2) 0.4715(3) 0.78518(12) 0.0415(13) Uani 1 1 d . . .
C19F C 0.3822(2) 0.4401(3) 0.75822(14) 0.0490(16) Uani 1 1 d . . .
C20F C 0.3604(2) 0.3753(3) 0.75954(14) 0.0466(15) Uani 1 1 d . . .
C21F C 0.3824(2) 0.4704(3) 0.73244(12) 0.0396(13) Uani 1 1 d . . .
C22F C 0.3630(2) 0.5352(3) 0.73068(12) 0.0407(13) Uani 1 1 d . . .
C23F C 0.3302(2) 0.5450(3) 0.70391(11) 0.0373(12) Uani 1 1 d . . .
C24F C 0.3299(2) 0.4844(3) 0.68865(11) 0.0386(13) Uani 1 1 d . . .
C25F C 0.3608(2) 0.4397(3) 0.70580(12) 0.0422(13) Uani 1 1 d . . .
C26F C 0.3401(3) 0.3796(3) 0.70713(13) 0.0491(15) Uani 1 1 d . . .
C27F C 0.3395(3) 0.3466(3) 0.73481(16) 0.0563(17) Uani 1 1 d . . .
C28F C 0.2838(3) 0.3088(3) 0.73525(17) 0.0581(18) Uani 1 1 d . . .
C29F C 0.2509(3) 0.3183(3) 0.70815(17) 0.0625(19) Uani 1 1 d . . .
C30F C 0.2854(3) 0.3614(3) 0.69088(15) 0.0562(17) Uani 1 1 d . . .
C31F C 0.0382(2) 0.5476(3) 0.76627(13) 0.0470(15) Uani 1 1 d . . .
C32F C 0.04000(19) 0.4871(3) 0.77884(11) 0.0347(12) Uani 1 1 d . . .
C33F C 0.0438(2) 0.4413(3) 0.75547(12) 0.0408(13) Uani 1 1 d . . .
C34F C 0.0441(2) 0.4733(3) 0.72820(12) 0.0427(14) Uani 1 1 d . . .
C35F C 0.0409(2) 0.5414(3) 0.73487(12) 0.0486(16) Uani 1 1 d . . .
C36F C 0.0696(3) 0.5985(3) 0.77987(14) 0.0488(15) Uani 1 1 d . . .
C37F C 0.1018(3) 0.5885(3) 0.80680(14) 0.0551(17) Uani 1 1 d . . .
C38F C 0.1570(3) 0.6256(3) 0.80613(15) 0.0589(19) Uani 1 1 d . . .
C39F C 0.1597(3) 0.6589(3) 0.77892(15) 0.0565(17) Uani 1 1 d . . .
C40F C 0.1025(3) 0.6411(3) 0.76206(16) 0.0595(19) Uani 1 1 d . . .
C41F C 0.2138(3) 0.6669(2) 0.76435(15) 0.0563(18) Uani 1 1 d . . .
C42F C 0.2701(3) 0.6420(3) 0.77613(13) 0.0460(14) Uani 1 1 d . . .
C43F C 0.3078(2) 0.6200(2) 0.75193(11) 0.0371(13) Uani 1 1 d . . .
C44F C 0.2751(2) 0.6308(2) 0.72544(12) 0.0377(12) Uani 1 1 d . . .
C45F C 0.2171(3) 0.6591(2) 0.73247(14) 0.0454(14) Uani 1 1 d . . .
C46F C 0.1638(3) 0.6429(3) 0.71658(16) 0.0585(19) Uani 1 1 d . . .
C47F C 0.1065(3) 0.6355(3) 0.73200(15) 0.0530(17) Uani 1 1 d . . .
C48F C 0.0745(2) 0.5817(3) 0.71731(15) 0.0566(18) Uani 1 1 d . . .
C49F C 0.1121(3) 0.5594(4) 0.69418(13) 0.060(2) Uani 1 1 d . . .
C50F C 0.1689(3) 0.5981(3) 0.69320(12) 0.0456(14) Uani 1 1 d . . .
C51F C 0.2699(3) 0.6111(3) 0.80240(12) 0.0438(14) Uani 1 1 d . . .
C52F C 0.3078(3) 0.5569(3) 0.80594(11) 0.0527(17) Uani 1 1 d . . .
C53F C 0.2719(3) 0.5124(4) 0.82427(11) 0.0529(17) Uani 1 1 d . . .
C54F C 0.2146(3) 0.5410(4) 0.83055(12) 0.0570(19) Uani 1 1 d . . .
C55F C 0.2117(3) 0.6019(4) 0.81777(13) 0.0607(19) Uani 1 1 d . . .
C56F C 0.1042(2) 0.5293(3) 0.81901(11) 0.0393(13) Uani 1 1 d . . .
C57F C 0.0721(2) 0.4765(3) 0.80489(11) 0.0407(13) Uani 1 1 d . . .
C58F C 0.1085(2) 0.4219(3) 0.80839(12) 0.0419(13) Uani 1 1 d . . .
C59F C 0.1651(3) 0.4410(3) 0.82570(10) 0.0412(13) Uani 1 1 d . . .
C60F C 0.1607(3) 0.5046(3) 0.83142(10) 0.0500(16) Uani 1 1 d . . .
C61F C 0.2214(3) 0.4094(3) 0.82129(12) 0.0496(15) Uani 1 1 d . . .
C62F C 0.2788(3) 0.4482(3) 0.82066(11) 0.0475(15) Uani 1 1 d . . .
C63F C 0.3481(2) 0.5368(3) 0.78445(12) 0.0451(15) Uani 1 1 d . . .
C64F C 0.3484(2) 0.5687(3) 0.75625(12) 0.0373(12) Uani 1 1 d . . .
C65F C 0.2815(2) 0.5885(2) 0.70140(10) 0.0336(11) Uani 1 1 d . . .
C66F C 0.2246(3) 0.5708(3) 0.68467(11) 0.0448(14) Uani 1 1 d . . .
C67F C 0.1141(3) 0.4957(4) 0.68636(11) 0.0520(17) Uani 1 1 d . . .
C68F C 0.0785(2) 0.4512(3) 0.70428(11) 0.0464(15) Uani 1 1 d . . .
C69F C 0.0771(2) 0.3850(3) 0.75920(13) 0.0442(14) Uani 1 1 d . . .
C70F C 0.1107(3) 0.3750(3) 0.78813(13) 0.0433(14) Uani 1 1 d . . .
C1G C 0.24091(19) 0.4474(2) 0.91910(9) 0.0231(9) Uani 1 1 d . . .
C2G C 0.18895(19) 0.4838(2) 0.91494(10) 0.0259(10) Uani 1 1 d . . .
H2G H 0.1617 0.4753 0.8996 0.031 Uiso 1 1 calc R . .
C3G C 0.1776(2) 0.5330(2) 0.93370(12) 0.0360(12) Uani 1 1 d . . .
H3G H 0.1422 0.5572 0.9311 0.043 Uiso 1 1 calc R . .
C4G C 0.2177(3) 0.5465(3) 0.95601(13) 0.0445(14) Uani 1 1 d . . .
H4G H 0.2098 0.5802 0.9683 0.053 Uiso 1 1 calc R . .
C5G C 0.2699(3) 0.5106(3) 0.96040(11) 0.0427(14) Uani 1 1 d . . .
H5G H 0.2968 0.5197 0.9758 0.051 Uiso 1 1 calc R . .
C6G C 0.2826(2) 0.4598(2) 0.94155(11) 0.0329(11) Uani 1 1 d . . .
H6G H 0.3180 0.4355 0.9441 0.039 Uiso 1 1 calc R . .
Cl1G Cl 0.25261(8) 0.38337(7) 0.89656(3) 0.0538(4) Uani 1 1 d . . .
C1H C 0.23536(19) 0.4134(2) 0.58360(9) 0.0209(9) Uani 1 1 d . . .
C2H C 0.2740(2) 0.4169(2) 0.55983(11) 0.0331(11) Uani 1 1 d . . .
H2H H 0.3034 0.3859 0.5564 0.040 Uiso 1 1 calc R . .
C3H C 0.2683(2) 0.4676(3) 0.54099(12) 0.0437(14) Uani 1 1 d . . .
H3H H 0.2939 0.4706 0.5247 0.052 Uiso 1 1 calc R . .
C4H C 0.2258(3) 0.5127(2) 0.54617(12) 0.0430(14) Uani 1 1 d . . .
H4H H 0.2225 0.5466 0.5335 0.052 Uiso 1 1 calc R . .
C5H C 0.1876(2) 0.5088(2) 0.56994(12) 0.0366(12) Uani 1 1 d . . .
H5H H 0.1583 0.5399 0.5732 0.044 Uiso 1 1 calc R . .
C6H C 0.1924(2) 0.4590(2) 0.58908(10) 0.0289(10) Uani 1 1 d . . .
H6H H 0.1669 0.4565 0.6054 0.035 Uiso 1 1 calc R . .
Cl1H Cl 0.23936(7) 0.34854(6) 0.60656(3) 0.0467(4) Uani 1 1 d . . .
C1I C 0.2571(2) 0.5535(2) 0.42041(9) 0.0237(9) Uani 1 1 d . . .
C2I C 0.3072(2) 0.5174(2) 0.41450(10) 0.0273(10) Uani 1 1 d . . .
H2I H 0.3332 0.5274 0.3990 0.033 Uiso 1 1 calc R . .
C3I C 0.3192(2) 0.4654(2) 0.43179(11) 0.0366(12) Uani 1 1 d . . .
H3I H 0.3536 0.4404 0.4280 0.044 Uiso 1 1 calc R . .
C4I C 0.2805(3) 0.4509(2) 0.45450(12) 0.0416(13) Uani 1 1 d . . .
H4I H 0.2887 0.4161 0.4662 0.050 Uiso 1 1 calc R . .
C5I C 0.2299(2) 0.4873(3) 0.46007(11) 0.0412(13) Uani 1 1 d . . .
H5I H 0.2037 0.4767 0.4754 0.049 Uiso 1 1 calc R . .
C6I C 0.2169(2) 0.5397(2) 0.44326(10) 0.0325(11) Uani 1 1 d . . .
H6I H 0.1826 0.5647 0.4471 0.039 Uiso 1 1 calc R . .
Cl1I Cl 0.24483(7) 0.62109(6) 0.39978(3) 0.0437(3) Uani 1 1 d . . .
C1J C 0.26979(18) 0.58371(19) 0.08637(8) 0.0183(8) Uani 1 1 d . . .
C2J C 0.2287(2) 0.5842(2) 0.06322(10) 0.0305(10) Uani 1 1 d . . .
H2J H 0.2000 0.6163 0.0612 0.037 Uiso 1 1 calc R . .
C3J C 0.2307(2) 0.5361(3) 0.04301(11) 0.0388(12) Uani 1 1 d . . .
H3J H 0.2031 0.5360 0.0272 0.047 Uiso 1 1 calc R . .
C4J C 0.2729(3) 0.4886(2) 0.04592(11) 0.0390(13) Uani 1 1 d . . .
H4J H 0.2742 0.4566 0.0321 0.047 Uiso 1 1 calc R . .
C5J C 0.3135(2) 0.4887(2) 0.06944(12) 0.0364(12) Uani 1 1 d . . .
H5J H 0.3422 0.4565 0.0715 0.044 Uiso 1 1 calc R . .
C6J C 0.3118(2) 0.5364(2) 0.09014(10) 0.0257(9) Uani 1 1 d . . .
H6J H 0.3386 0.5361 0.1062 0.031 Uiso 1 1 calc R . .
Cl1J Cl 0.26978(6) 0.64556(6) 0.11127(2) 0.0334(3) Uani 1 1 d . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 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'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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
C2A C1A S1A 122.5(3) . .
C2A C1A S2A 123.1(3) . .
S1A C1A S2A 114.4(2) . .
C1A C2A S4A 123.7(3) . .
C1A C2A S3A 121.8(3) . .
S4A C2A S3A 114.37(19) . .
C4A C3A S1A 117.8(3) . .
C4A C3A S5A 125.2(3) . .
S1A C3A S5A 117.0(2) . .
C3A C4A S6A 124.4(3) . .
C3A C4A S2A 116.8(3) . .
S6A C4A S2A 118.5(2) . .
C6A C5A S7A 126.1(3) . .
C6A C5A S3A 116.8(3) . .
S7A C5A S3A 117.0(2) . .
C5A C6A S8A 124.6(3) . .
C5A C6A S4A 117.3(3) . .
S8A C6A S4A 118.0(2) . .
C8A C7A C12A 120.0(4) . .
C8A C7A S5A 122.0(3) . .
C12A C7A S5A 117.8(3) . .
C7A C8A C9A 119.4(4) . .
C7A C8A H8A 120.3 . .
C9A C8A H8A 120.3 . .
C8A C9A C10A 121.8(4) . .
C8A C9A H9A 119.1 . .
C10A C9A H9A 119.1 . .
C11A C10A C9A 117.7(4) . .
C11A C10A C13A 121.8(4) . .
C9A C10A C13A 120.5(4) . .
C10A C11A C12A 121.7(4) . .
C10A C11A H11A 119.1 . .
C12A C11A H11A 119.1 . .
C7A C12A C11A 119.4(4) . .
C7A C12A H12A 120.3 . .
C11A C12A H12A 120.3 . .
C10A C13A H13A 109.5 . .
C10A C13A H13B 109.5 . .
H13A C13A H13B 109.5 . .
C10A C13A H13C 109.5 . .
H13A C13A H13C 109.5 . .
H13B C13A H13C 109.5 . .
C15A C14A C19A 120.2(4) . .
C15A C14A S6A 124.8(3) . .
C19A C14A S6A 114.8(3) . .
C14A C15A C16A 119.1(4) . .
C14A C15A H15A 120.5 . .
C16A C15A H15A 120.5 . .
C15A C16A C17A 121.8(4) . .
C15A C16A H16A 119.1 . .
C17A C16A H16A 119.1 . .
C18A C17A C16A 117.7(4) . .
C18A C17A C20A 121.1(4) . .
C16A C17A C20A 121.2(4) . .
C19A C18A C17A 121.7(4) . .
C19A C18A H18A 119.1 . .
C17A C18A H18A 119.1 . .
C18A C19A C14A 119.3(4) . .
C18A C19A H19A 120.4 . .
C14A C19A H19A 120.4 . .
C17A C20A H20A 109.5 . .
C17A C20A H20B 109.5 . .
H20A C20A H20B 109.5 . .
C17A C20A H20C 109.5 . .
H20A C20A H20C 109.5 . .
H20B C20A H20C 109.5 . .
C26A C21A C22A 120.0(4) . .
C26A C21A S7A 118.1(3) . .
C22A C21A S7A 121.6(3) . .
C23A C22A C21A 119.8(4) . .
C23A C22A H22A 120.1 . .
C21A C22A H22A 120.1 . .
C22A C23A C24A 121.4(4) . .
C22A C23A H23A 119.3 . .
C24A C23A H23A 119.3 . .
C25A C24A C23A 118.0(4) . .
C25A C24A C27A 121.7(4) . .
C23A C24A C27A 120.2(5) . .
C24A C25A C26A 121.4(4) . .
C24A C25A H25A 119.3 . .
C26A C25A H25A 119.3 . .
C21A C26A C25A 119.4(4) . .
C21A C26A H26A 120.3 . .
C25A C26A H26A 120.3 . .
C24A C27A H27A 109.5 . .
C24A C27A H27B 109.5 . .
H27A C27A H27B 109.5 . .
C24A C27A H27C 109.5 . .
H27A C27A H27C 109.5 . .
H27B C27A H27C 109.5 . .
C33A C28A C29A 119.1(4) . .
C33A C28A S8A 116.7(3) . .
C29A C28A S8A 124.0(3) . .
C30A C29A C28A 119.7(4) . .
C30A C29A H29A 120.2 . .
C28A C29A H29A 120.2 . .
C31A C30A C29A 121.7(4) . .
C31A C30A H30A 119.2 . .
C29A C30A H30A 119.2 . .
C30A C31A C32A 118.1(4) . .
C30A C31A C34A 121.3(4) . .
C32A C31A C34A 120.6(4) . .
C33A C32A C31A 121.1(4) . .
C33A C32A H32A 119.4 . .
C31A C32A H32A 119.4 . .
C32A C33A C28A 120.3(4) . .
C32A C33A H33A 119.8 . .
C28A C33A H33A 119.8 . .
C31A C34A H34A 109.5 . .
C31A C34A H34B 109.5 . .
H34A C34A H34B 109.5 . .
C31A C34A H34C 109.5 . .
H34A C34A H34C 109.5 . .
H34B C34A H34C 109.5 . .
C3A S1A C1A 94.39(18) . .
C1A S2A C4A 94.38(17) . .
C2A S3A C5A 94.37(18) . .
C2A S4A C6A 94.19(17) . .
C3A S5A C7A 100.75(18) . .
C4A S6A C14A 103.24(18) . .
C5A S7A C21A 100.92(18) . .
C6A S8A C28A 103.38(18) . .
C2B C1B S2B 123.4(3) . .
C2B C1B S1B 122.3(3) . .
S2B C1B S1B 114.3(2) . .
C1B C2B S4B 122.8(3) . .
C1B C2B S3B 122.3(3) . .
S4B C2B S3B 114.7(2) . .
C4B C3B S5B 124.5(3) . .
C4B C3B S1B 116.9(3) . .
S5B C3B S1B 118.4(2) . .
C3B C4B S2B 117.5(3) . .
C3B C4B S6B 125.5(3) . .
S2B C4B S6B 117.0(2) . .
C6B C5B S7B 123.8(3) . .
C6B C5B S3B 117.1(3) . .
S7B C5B S3B 118.8(2) . .
C5B C6B S8B 126.2(3) . .
C5B C6B S4B 117.2(3) . .
S8B C6B S4B 116.6(2) . .
C8B C7B C12B 119.2(4) . .
C8B C7B S5B 124.3(3) . .
C12B C7B S5B 116.2(3) . .
C9B C8B C7B 119.6(4) . .
C9B C8B H8B 120.2 . .
C7B C8B H8B 120.2 . .
C8B C9B C10B 121.9(4) . .
C8B C9B H9B 119.0 . .
C10B C9B H9B 119.0 . .
C11B C10B C9B 117.4(4) . .
C11B C10B C13B 121.8(4) . .
C9B C10B C13B 120.7(4) . .
C12B C11B C10B 121.9(4) . .
C12B C11B H11B 119.1 . .
C10B C11B H11B 119.1 . .
C11B C12B C7B 119.9(4) . .
C11B C12B H12B 120.1 . .
C7B C12B H12B 120.1 . .
C10B C13B H13D 109.5 . .
C10B C13B H13E 109.5 . .
H13D C13B H13E 109.5 . .
C10B C13B H13F 109.5 . .
H13D C13B H13F 109.5 . .
H13E C13B H13F 109.5 . .
C15B C14B C19B 119.5(4) . .
C15B C14B S6B 123.1(3) . .
C19B C14B S6B 117.3(3) . .
C14B C15B C16B 120.1(4) . .
C14B C15B H15B 120.0 . .
C16B C15B H15B 120.0 . .
C15B C16B C17B 121.4(4) . .
C15B C16B H16B 119.3 . .
C17B C16B H16B 119.3 . .
C18B C17B C16B 118.0(4) . .
C18B C17B C20B 122.1(4) . .
C16B C17B C20B 120.0(4) . .
C17B C18B C19B 121.5(4) . .
C17B C18B H18B 119.3 . .
C19B C18B H18B 119.3 . .
C18B C19B C14B 119.6(4) . .
C18B C19B H19B 120.2 . .
C14B C19B H19B 120.2 . .
C17B C20B H20D 109.5 . .
C17B C20B H20E 109.5 . .
H20D C20B H20E 109.5 . .
C17B C20B H20F 109.5 . .
H20D C20B H20F 109.5 . .
H20E C20B H20F 109.5 . .
C22B C21B C26B 119.1(4) . .
C22B C21B S7B 124.8(3) . .
C26B C21B S7B 115.8(3) . .
C21B C22B C23B 119.9(4) . .
C21B C22B H22B 120.0 . .
C23B C22B H22B 120.0 . .
C24B C23B C22B 121.4(4) . .
C24B C23B H23B 119.3 . .
C22B C23B H23B 119.3 . .
C23B C24B C25B 117.7(4) . .
C23B C24B C27B 121.2(4) . .
C25B C24B C27B 121.1(4) . .
C26B C25B C24B 121.1(4) . .
C26B C25B H25B 119.4 . .
C24B C25B H25B 119.4 . .
C25B C26B C21B 120.6(4) . .
C25B C26B H26B 119.7 . .
C21B C26B H26B 119.7 . .
C24B C27B H27D 109.5 . .
C24B C27B H27E 109.5 . .
H27D C27B H27E 109.5 . .
C24B C27B H27F 109.5 . .
H27D C27B H27F 109.5 . .
H27E C27B H27F 109.5 . .
C29B C28B C33B 119.4(4) . .
C29B C28B S8B 122.2(3) . .
C33B C28B S8B 118.3(3) . .
C28B C29B C30B 120.5(4) . .
C28B C29B H29B 119.8 . .
C30B C29B H29B 119.8 . .
C29B C30B C31B 121.1(4) . .
C29B C30B H30B 119.4 . .
C31B C30B H30B 119.4 . .
C32B C31B C30B 117.8(4) . .
C32B C31B C34B 121.8(4) . .
C30B C31B C34B 120.5(4) . .
C31B C32B C33B 121.6(4) . .
C31B C32B H32B 119.2 . .
C33B C32B H32B 119.2 . .
C32B C33B C28B 119.7(4) . .
C32B C33B H33B 120.2 . .
C28B C33B H33B 120.2 . .
C31B C34B H34D 109.5 . .
C31B C34B H34E 109.5 . .
H34D C34B H34E 109.5 . .
C31B C34B H34F 109.5 . .
H34D C34B H34F 109.5 . .
H34E C34B H34F 109.5 . .
C3B S1B C1B 94.42(18) . .
C4B S2B C1B 94.50(18) . .
C2B S3B C5B 94.21(17) . .
C2B S4B C6B 94.26(17) . .
C3B S5B C7B 102.92(19) . .
C4B S6B C14B 101.24(18) . .
C5B S7B C21B 103.35(18) . .
C6B S8B C28B 100.12(18) . .
C6C C1C C5C 120.4(4) . .
C6C C1C C2C 119.5(5) . .
C5C C1C C2C 107.1(4) . .
C21C C2C C1C 119.9(4) . .
C21C C2C C3C 120.1(4) . .
C1C C2C C3C 107.7(4) . .
C62C C3C C4C 122.0(4) . .
C62C C3C C2C 120.5(5) . .
C4C C3C C2C 108.6(4) . .
C63C C4C C3C 120.6(4) . .
C63C C4C C5C 121.8(4) . .
C3C C4C C5C 107.7(4) . .
C16C C5C C1C 120.1(4) . .
C16C C5C C4C 119.7(5) . .
C1C C5C C4C 109.0(4) . .
C1C C6C C7C 120.1(4) . .
C1C C6C C10C 118.8(4) . .
C7C C6C C10C 108.9(4) . .
C25C C7C C6C 119.9(4) . .
C25C C7C C8C 119.6(4) . .
C6C C7C C8C 107.9(4) . .
C11C C8C C9C 119.4(4) . .
C11C C8C C7C 119.7(4) . .
C9C C8C C7C 108.2(4) . .
C30C C9C C8C 119.9(4) . .
C30C C9C C10C 119.3(4) . .
C8C C9C C10C 108.1(4) . .
C17C C10C C9C 119.6(4) . .
C17C C10C C6C 120.9(4) . .
C9C C10C C6C 107.0(4) . .
C8C C11C C15C 120.7(4) . .
C8C C11C C12C 120.4(4) . .
C15C C11C C12C 107.1(4) . .
C24C C12C C13C 119.9(4) . .
C24C C12C C11C 119.8(4) . .
C13C C12C C11C 108.4(4) . .
C69C C13C C14C 120.8(4) . .
C69C C13C C12C 121.7(4) . .
C14C C13C C12C 108.3(4) . .
C68C C14C C13C 121.5(4) . .
C68C C14C C15C 121.7(4) . .
C13C C14C C15C 107.1(4) . .
C29C C15C C11C 120.1(4) . .
C29C C15C C14C 119.4(4) . .
C11C C15C C14C 109.1(4) . .
C5C C16C C20C 119.7(4) . .
C5C C16C C17C 120.4(5) . .
C20C C16C C17C 108.3(4) . .
C10C C17C C18C 120.8(4) . .
C10C C17C C16C 119.4(4) . .
C18C C17C C16C 106.8(4) . .
C26C C18C C17C 120.0(4) . .
C26C C18C C19C 119.8(4) . .
C17C C18C C19C 108.8(4) . .
C65C C19C C20C 121.4(4) . .
C65C C19C C18C 121.2(4) . .
C20C C19C C18C 108.0(4) . .
C64C C20C C19C 121.4(5) . .
C64C C20C C16C 121.6(4) . .
C19C C20C C16C 108.1(4) . .
C2C C21C C25C 120.7(4) . .
C2C C21C C22C 120.5(4) . .
C25C C21C C22C 108.0(4) . .
C23C C22C C61C 121.7(4) . .
C23C C22C C21C 108.6(4) . .
C61C C22C C21C 120.2(4) . .
C70C C23C C22C 121.5(4) . .
C70C C23C C24C 121.5(4) . .
C22C C23C C24C 107.8(4) . .
C12C C24C C25C 120.1(4) . .
C12C C24C C23C 119.7(4) . .
C25C C24C C23C 108.5(4) . .
C7C C25C C24C 120.3(4) . .
C7C C25C C21C 119.9(5) . .
C24C C25C C21C 107.0(4) . .
C18C C26C C27C 119.8(4) . .
C18C C26C C30C 119.9(4) . .
C27C C26C C30C 108.3(4) . .
C66C C27C C26C 122.0(4) . .
C66C C27C C28C 120.6(4) . .
C26C C27C C28C 108.4(4) . .
C67C C28C C27C 121.5(4) . .
C67C C28C C29C 121.7(4) . .
C27C C28C C29C 107.5(4) . .
C15C C29C C30C 120.1(4) . .
C15C C29C C28C 119.7(4) . .
C30C C29C C28C 108.5(4) . .
C9C C30C C29C 119.8(4) . .
C9C C30C C26C 120.3(4) . .
C29C C30C C26C 107.3(4) . .
C36C C31C C35C 120.2(4) . .
C36C C31C C32C 120.4(4) . .
C35C C31C C32C 107.1(4) . .
C47C C32C C33C 119.6(4) . .
C47C C32C C31C 120.2(4) . .
C33C C32C C31C 108.4(4) . .
C65C C33C C34C 121.0(4) . .
C65C C33C C32C 121.5(4) . .
C34C C33C C32C 108.0(4) . .
C64C C34C C33C 121.4(4) . .
C64C C34C C35C 121.6(4) . .
C33C C34C C35C 107.7(4) . .
C58C C35C C31C 120.1(4) . .
C58C C35C C34C 119.8(4) . .
C31C C35C C34C 108.7(4) . .
C31C C36C C40C 119.7(4) . .
C31C C36C C37C 119.8(4) . .
C40C C36C C37C 108.0(4) . .
C46C C37C C38C 119.7(4) . .
C46C C37C C36C 119.1(4) . .
C38C C37C C36C 108.1(4) . .
C41C C38C C37C 120.0(4) . .
C41C C38C C39C 119.6(4) . .
C37C C38C C39C 108.1(4) . .
C52C C39C C38C 119.7(4) . .
C52C C39C C40C 119.5(4) . .
C38C C39C C40C 108.0(4) . .
C57C C40C C36C 120.1(4) . .
C57C C40C C39C 119.5(4) . .
C36C C40C C39C 107.9(4) . .
C38C C41C C42C 120.2(4) . .
C38C C41C C45C 120.8(4) . .
C42C C41C C45C 106.7(4) . .
C50C C42C C43C 120.0(4) . .
C50C C42C C41C 120.2(4) . .
C43C C42C C41C 108.1(4) . .
C44C C43C C68C 121.4(4) . .
C44C C43C C42C 108.6(4) . .
C68C C43C C42C 120.8(4) . .
C69C C44C C43C 121.7(4) . .
C69C C44C C45C 121.2(5) . .
C43C C44C C45C 108.0(4) . .
C51C C45C C44C 120.0(5) . .
C51C C45C C41C 119.7(4) . .
C44C C45C C41C 108.6(4) . .
C37C C46C C50C 120.3(4) . .
C37C C46C C47C 120.6(4) . .
C50C C46C C47C 106.7(4) . .
C32C C47C C48C 120.6(4) . .
C32C C47C C46C 120.0(4) . .
C48C C47C C46C 108.0(4) . .
C66C C48C C49C 121.9(4) . .
C66C C48C C47C 120.6(4) . .
C49C C48C C47C 108.5(4) . .
C67C C49C C48C 121.3(4) . .
C67C C49C C50C 121.2(4) . .
C48C C49C C50C 108.2(4) . .
C42C C50C C49C 120.1(4) . .
C42C C50C C46C 119.6(4) . .
C49C C50C C46C 108.6(4) . .
C45C C51C C55C 120.1(4) . .
C45C C51C C52C 120.3(4) . .
C55C C51C C52C 108.5(4) . .
C39C C52C C53C 120.5(4) . .
C39C C52C C51C 119.9(4) . .
C53C C52C C51C 106.8(4) . .
C56C C53C C52C 120.0(4) . .
C56C C53C C54C 119.2(4) . .
C52C C53C C54C 109.0(4) . .
C61C C54C C55C 121.7(4) . .
C61C C54C C53C 121.7(4) . .
C55C C54C C53C 107.3(4) . .
C70C C55C C51C 121.7(5) . .
C70C C55C C54C 120.6(4) . .
C51C C55C C54C 108.4(4) . .
C53C C56C C60C 120.3(4) . .
C53C C56C C57C 119.6(4) . .
C60C C56C C57C 108.3(4) . .
C40C C57C C56C 120.9(4) . .
C40C C57C C58C 120.1(4) . .
C56C C57C C58C 106.7(4) . .
C35C C58C C59C 119.6(4) . .
C35C C58C C57C 119.8(4) . .
C59C C58C C57C 108.5(4) . .
C63C C59C C60C 121.3(4) . .
C63C C59C C58C 121.9(4) . .
C60C C59C C58C 108.0(4) . .
C59C C60C C62C 121.2(4) . .
C59C C60C C56C 108.6(4) . .
C62C C60C C56C 121.0(4) . .
C54C C61C C22C 115.3(4) . .
C54C C61C C62C 119.0(4) . .
C22C C61C C62C 119.1(4) . .
C3C C62C C60C 115.6(4) . .
C3C C62C C61C 119.2(4) . .
C60C C62C C61C 118.5(4) . .
C59C C63C C4C 116.8(4) . .
C59C C63C C64C 118.4(4) . .
C4C C63C C64C 118.3(4) . .
C34C C64C C20C 116.3(4) . .
C34C C64C C63C 118.5(4) . .
C20C C64C C63C 118.6(4) . .
C33C C65C C19C 116.1(4) . .
C33C C65C C66C 118.2(4) . .
C19C C65C C66C 119.0(4) . .
C48C C66C C27C 116.2(4) . .
C48C C66C C65C 119.1(4) . .
C27C C66C C65C 117.9(4) . .
C28C C67C C49C 116.1(4) . .
C28C C67C C68C 118.3(4) . .
C49C C67C C68C 119.1(4) . .
C14C C68C C43C 115.9(4) . .
C14C C68C C67C 118.9(4) . .
C43C C68C C67C 118.5(4) . .
C44C C69C C13C 116.2(4) . .
C44C C69C C70C 118.7(4) . .
C13C C69C C70C 117.9(4) . .
C23C C70C C55C 116.5(4) . .
C23C C70C C69C 119.0(4) . .
C55C C70C C69C 118.0(4) . .
C6D C1D C5D 120.2(4) . .
C6D C1D C2D 120.7(4) . .
C5D C1D C2D 107.0(4) . .
C12D C2D C3D 121.0(4) . .
C12D C2D C1D 119.2(5) . .
C3D C2D C1D 108.3(4) . .
C66D C3D C4D 121.6(4) . .
C66D C3D C2D 120.7(5) . .
C4D C3D C2D 108.6(4) . .
C67D C4D C3D 121.7(4) . .
C67D C4D C5D 121.0(4) . .
C3D C4D C5D 107.5(4) . .
C28D C5D C1D 120.3(4) . .
C28D C5D C4D 119.8(4) . .
C1D C5D C4D 108.6(4) . .
C1D C6D C10D 119.8(4) . .
C1D C6D C7D 119.3(4) . .
C10D C6D C7D 108.0(4) . .
C11D C7D C8D 119.9(4) . .
C11D C7D C6D 119.5(5) . .
C8D C7D C6D 107.9(4) . .
C20D C8D C9D 120.7(5) . .
C20D C8D C7D 119.5(4) . .
C9D C8D C7D 107.8(4) . .
C25D C9D C10D 119.5(4) . .
C25D C9D C8D 119.3(4) . .
C10D C9D C8D 108.2(4) . .
C27D C10D C6D 119.5(4) . .
C27D C10D C9D 119.9(4) . .
C6D C10D C9D 108.1(4) . .
C7D C11D C12D 120.4(4) . .
C7D C11D C15D 119.5(5) . .
C12D C11D C15D 107.5(4) . .
C2D C12D C11D 120.9(4) . .
C2D C12D C13D 118.8(5) . .
C11D C12D C13D 108.6(4) . .
C65D C13D C14D 121.1(4) . .
C65D C13D C12D 121.5(5) . .
C14D C13D C12D 107.9(4) . .
C64D C14D C13D 121.6(4) . .
C64D C14D C15D 120.7(5) . .
C13D C14D C15D 108.3(4) . .
C16D C15D C11D 120.5(4) . .
C16D C15D C14D 120.3(4) . .
C11D C15D C14D 107.6(5) . .
C15D C16D C20D 120.0(4) . .
C15D C16D C17D 119.7(4) . .
C20D C16D C17D 108.7(4) . .
C63D C17D C18D 121.6(4) . .
C63D C17D C16D 121.2(5) . .
C18D C17D C16D 107.9(4) . .
C62D C18D C17D 121.2(4) . .
C62D C18D C19D 121.4(5) . .
C17D C18D C19D 107.9(4) . .
C21D C19D C20D 120.5(4) . .
C21D C19D C18D 119.6(5) . .
C20D C19D C18D 108.3(4) . .
C8D C20D C16D 120.6(5) . .
C8D C20D C19D 119.1(4) . .
C16D C20D C19D 107.2(4) . .
C19D C21D C25D 120.8(5) . .
C19D C21D C22D 120.7(4) . .
C25D C21D C22D 107.9(4) . .
C23D C22D C61D 121.1(5) . .
C23D C22D C21D 108.0(4) . .
C61D C22D C21D 120.9(5) . .
C70D C23D C22D 121.5(4) . .
C70D C23D C24D 121.0(4) . .
C22D C23D C24D 108.4(4) . .
C26D C24D C25D 119.9(4) . .
C26D C24D C23D 120.2(4) . .
C25D C24D C23D 108.1(4) . .
C9D C25D C24D 120.6(5) . .
C9D C25D C21D 119.6(5) . .
C24D C25D C21D 107.6(4) . .
C24D C26D C30D 119.5(4) . .
C24D C26D C27D 120.2(4) . .
C30D C26D C27D 108.6(4) . .
C10D C27D C28D 120.5(4) . .
C10D C27D C26D 119.9(4) . .
C28D C27D C26D 106.8(4) . .
C5D C28D C27D 119.7(4) . .
C5D C28D C29D 120.3(4) . .
C27D C28D C29D 108.4(4) . .
C68D C29D C30D 121.4(4) . .
C68D C29D C28D 120.8(4) . .
C30D C29D C28D 108.2(4) . .
C69D C30D C29D 121.7(4) . .
C69D C30D C26D 121.8(4) . .
C29D C30D C26D 108.0(4) . .
C36D C31D C32D 120.1(5) . .
C36D C31D C35D 120.3(5) . .
C32D C31D C35D 107.7(4) . .
C49D C32D C31D 120.1(5) . .
C49D C32D C33D 120.3(5) . .
C31D C32D C33D 108.0(4) . .
C34D C33D C66D 121.5(4) . .
C34D C33D C32D 108.2(4) . .
C66D C33D C32D 120.9(5) . .
C33D C34D C67D 121.5(4) . .
C33D C34D C35D 108.2(4) . .
C67D C34D C35D 121.6(5) . .
C52D C35D C31D 120.7(4) . .
C52D C35D C34D 119.2(4) . .
C31D C35D C34D 107.8(4) . .
C31D C36D C37D 119.8(4) . .
C31D C36D C40D 119.3(4) . .
C37D C36D C40D 107.9(4) . .
C50D C37D C36D 119.6(4) . .
C50D C37D C38D 119.7(4) . .
C36D C37D C38D 108.4(4) . .
C41D C38D C37D 119.4(4) . .
C41D C38D C39D 120.3(4) . .
C37D C38D C39D 107.2(4) . .
C56D C39D C40D 120.2(4) . .
C56D C39D C38D 118.7(4) . .
C40D C39D C38D 108.7(4) . .
C51D C40D C39D 120.1(4) . .
C51D C40D C36D 119.7(4) . .
C39D C40D C36D 107.8(4) . .
C38D C41D C42D 120.7(4) . .
C38D C41D C45D 119.9(4) . .
C42D C41D C45D 106.9(4) . .
C46D C42D C43D 120.1(4) . .
C46D C42D C41D 119.6(4) . .
C43D C42D C41D 108.7(4) . .
C63D C43D C44D 120.9(4) . .
C63D C43D C42D 121.6(4) . .
C44D C43D C42D 108.3(4) . .
C62D C44D C43D 121.3(4) . .
C62D C44D C45D 122.0(4) . .
C43D C44D C45D 107.8(4) . .
C57D C45D C44D 120.0(4) . .
C57D C45D C41D 120.0(4) . .
C44D C45D C41D 108.3(4) . .
C42D C46D C50D 120.4(4) . .
C42D C46D C47D 119.7(4) . .
C50D C46D C47D 107.9(4) . .
C48D C47D C64D 121.5(4) . .
C48D C47D C46D 108.2(4) . .
C64D C47D C46D 120.9(4) . .
C47D C48D C65D 121.2(4) . .
C47D C48D C49D 108.1(4) . .
C65D C48D C49D 121.2(5) . .
C32D C49D C50D 120.1(4) . .
C32D C49D C48D 119.8(4) . .
C50D C49D C48D 108.3(4) . .
C37D C50D C46D 120.2(4) . .
C37D C50D C49D 120.3(4) . .
C46D C50D C49D 107.4(4) . .
C40D C51D C55D 119.9(4) . .
C40D C51D C52D 120.2(4) . .
C55D C51D C52D 107.2(4) . .
C35D C52D C51D 119.7(4) . .
C35D C52D C53D 121.1(4) . .
C51D C52D C53D 107.8(4) . .
C54D C53D C68D 121.2(4) . .
C54D C53D C52D 109.0(4) . .
C68D C53D C52D 120.5(4) . .
C69D C54D C53D 121.9(4) . .
C69D C54D C55D 121.9(4) . .
C53D C54D C55D 107.0(4) . .
C60D C55D C51D 120.7(4) . .
C60D C55D C54D 118.7(4) . .
C51D C55D C54D 109.0(4) . .
C39D C56D C57D 120.9(4) . .
C39D C56D C60D 119.4(4) . .
C57D C56D C60D 107.0(4) . .
C45D C57D C56D 120.3(4) . .
C45D C57D C58D 119.5(4) . .
C56D C57D C58D 108.8(4) . .
C61D C58D C59D 121.5(4) . .
C61D C58D C57D 121.6(4) . .
C59D C58D C57D 107.7(4) . .
C70D C59D C58D 120.9(4) . .
C70D C59D C60D 122.1(4) . .
C58D C59D C60D 108.0(4) . .
C55D C60D C59D 120.1(4) . .
C55D C60D C56D 119.8(4) . .
C59D C60D C56D 108.4(4) . .
C58D C61D C22D 116.3(4) . .
C58D C61D C62D 118.7(4) . .
C22D C61D C62D 118.3(4) . .
C44D C62D C18D 116.5(5) . .
C44D C62D C61D 117.9(4) . .
C18D C62D C61D 118.9(4) . .
C17D C63D C43D 115.9(4) . .
C17D C63D C64D 118.9(4) . .
C43D C63D C64D 118.6(4) . .
C14D C64D C47D 115.8(5) . .
C14D C64D C63D 118.9(4) . .
C47D C64D C63D 118.8(4) . .
C13D C65D C48D 116.1(5) . .
C13D C65D C66D 118.8(4) . .
C48D C65D C66D 118.8(4) . .
C3D C66D C33D 115.5(5) . .
C3D C66D C65D 118.9(5) . .
C33D C66D C65D 118.6(4) . .
C4D C67D C34D 115.8(5) . .
C4D C67D C68D 118.9(4) . .
C34D C67D C68D 118.3(4) . .
C29D C68D C53D 115.7(4) . .
C29D C68D C67D 118.8(4) . .
C53D C68D C67D 119.0(4) . .
C30D C69D C54D 115.7(4) . .
C30D C69D C70D 118.5(4) . .
C54D C69D C70D 118.9(4) . .
C23D C70D C59D 116.3(4) . .
C23D C70D C69D 118.7(4) . .
C59D C70D C69D 118.1(4) . .
C6E C1E C5E 119.6(4) . .
C6E C1E C2E 119.5(5) . .
C5E C1E C2E 109.1(5) . .
C24E C2E C3E 120.7(5) . .
C24E C2E C1E 119.5(5) . .
C3E C2E C1E 106.8(5) . .
C30E C3E C2E 120.0(5) . .
C30E C3E C4E 118.5(5) . .
C2E C3E C4E 109.2(4) . .
C61E C4E C5E 120.8(5) . .
C61E C4E C3E 121.7(4) . .
C5E C4E C3E 107.3(4) . .
C70E C5E C1E 122.0(4) . .
C70E C5E C4E 121.4(5) . .
C1E C5E C4E 107.5(4) . .
C1E C6E C7E 120.4(5) . .
C1E C6E C10E 120.2(5) . .
C7E C6E C10E 107.6(4) . .
C23E C7E C8E 120.6(5) . .
C23E C7E C6E 119.6(5) . .
C8E C7E C6E 107.2(4) . .
C11E C8E C7E 120.4(5) . .
C11E C8E C9E 119.8(5) . .
C7E C8E C9E 108.8(4) . .
C68E C9E C10E 121.6(5) . .
C68E C9E C8E 122.1(4) . .
C10E C9E C8E 107.5(4) . .
C9E C10E C6E 108.9(4) . .
C9E C10E C69E 120.4(4) . .
C6E C10E C69E 120.8(4) . .
C8E C11E C12E 118.8(5) . .
C8E C11E C15E 119.2(5) . .
C12E C11E C15E 108.6(5) . .
C67E C12E C11E 123.7(5) . .
C67E C12E C13E 120.7(5) . .
C11E C12E C13E 107.6(5) . .
C14E C13E C66E 123.0(5) . .
C14E C13E C12E 108.0(5) . .
C66E C13E C12E 120.6(5) . .
C16E C14E C13E 119.6(5) . .
C16E C14E C15E 118.9(5) . .
C13E C14E C15E 109.1(5) . .
C22E C15E C14E 121.8(5) . .
C22E C15E C11E 120.1(5) . .
C14E C15E C11E 106.7(5) . .
C14E C16E C20E 119.9(5) . .
C14E C16E C17E 118.7(5) . .
C20E C16E C17E 109.7(4) . .
C65E C17E C16E 123.1(5) . .
C65E C17E C18E 120.7(4) . .
C16E C17E C18E 107.5(4) . .
C64E C18E C19E 123.0(4) . .
C64E C18E C17E 121.2(4) . .
C19E C18E C17E 106.9(4) . .
C27E C19E C18E 119.7(5) . .
C27E C19E C20E 119.9(5) . .
C18E C19E C20E 109.2(4) . .
C21E C20E C16E 121.4(5) . .
C21E C20E C19E 118.8(5) . .
C16E C20E C19E 106.7(4) . .
C20E C21E C25E 120.5(5) . .
C20E C21E C22E 118.6(5) . .
C25E C21E C22E 109.1(5) . .
C15E C22E C23E 121.0(5) . .
C15E C22E C21E 119.3(5) . .
C23E C22E C21E 106.4(5) . .
C7E C23E C24E 120.2(5) . .
C7E C23E C22E 118.7(5) . .
C24E C23E C22E 109.6(5) . .
C2E C24E C23E 120.7(5) . .
C2E C24E C25E 119.1(5) . .
C23E C24E C25E 107.6(5) . .
C26E C25E C21E 120.6(5) . .
C26E C25E C24E 119.5(5) . .
C21E C25E C24E 107.3(5) . .
C25E C26E C30E 121.7(5) . .
C25E C26E C27E 119.6(5) . .
C30E C26E C27E 106.0(5) . .
C19E C27E C28E 119.4(5) . .
C19E C27E C26E 120.6(5) . .
C28E C27E C26E 108.5(4) . .
C29E C28E C63E 121.6(5) . .
C29E C28E C27E 107.3(5) . .
C63E C28E C27E 121.6(4) . .
C30E C29E C28E 108.6(5) . .
C30E C29E C62E 121.5(4) . .
C28E C29E C62E 120.8(5) . .
C3E C30E C29E 120.6(5) . .
C3E C30E C26E 118.9(5) . .
C29E C30E C26E 109.5(4) . .
C67E C31E C32E 120.8(5) . .
C67E C31E C35E 122.3(4) . .
C32E C31E C35E 108.1(5) . .
C66E C32E C31E 121.9(5) . .
C66E C32E C33E 120.4(5) . .
C31E C32E C33E 108.2(5) . .
C36E C33E C34E 119.5(5) . .
C36E C33E C32E 120.0(5) . .
C34E C33E C32E 107.9(5) . .
C41E C34E C33E 120.7(5) . .
C41E C34E C35E 120.0(5) . .
C33E C34E C35E 107.2(5) . .
C52E C35E C31E 120.4(5) . .
C52E C35E C34E 118.7(5) . .
C31E C35E C34E 108.7(4) . .
C33E C36E C40E 120.1(5) . .
C33E C36E C37E 119.6(5) . .
C40E C36E C37E 109.0(4) . .
C65E C37E C38E 121.1(4) . .
C65E C37E C36E 122.1(5) . .
C38E C37E C36E 107.9(4) . .
C64E C38E C37E 121.3(4) . .
C64E C38E C39E 120.3(4) . .
C37E C38E C39E 108.3(4) . .
C47E C39E C38E 121.1(5) . .
C47E C39E C40E 120.2(5) . .
C38E C39E C40E 107.5(4) . .
C42E C40E C36E 120.3(5) . .
C42E C40E C39E 118.7(5) . .
C36E C40E C39E 107.3(4) . .
C34E C41E C42E 119.4(5) . .
C34E C41E C45E 119.9(5) . .
C42E C41E C45E 108.7(5) . .
C40E C42E C41E 119.9(5) . .
C40E C42E C43E 119.8(5) . .
C41E C42E C43E 108.2(5) . .
C46E C43E C44E 120.4(5) . .
C46E C43E C42E 120.7(5) . .
C44E C43E C42E 106.5(5) . .
C57E C44E C45E 120.1(5) . .
C57E C44E C43E 118.7(5) . .
C45E C44E C43E 109.4(5) . .
C51E C45E C44E 119.7(5) . .
C51E C45E C41E 120.0(5) . .
C44E C45E C41E 107.2(5) . .
C43E C46E C50E 120.8(5) . .
C43E C46E C47E 119.3(5) . .
C50E C46E C47E 107.1(5) . .
C39E C47E C46E 121.2(5) . .
C39E C47E C48E 119.3(4) . .
C46E C47E C48E 108.0(4) . .
C63E C48E C49E 121.3(5) . .
C63E C48E C47E 121.4(4) . .
C49E C48E C47E 108.5(5) . .
C62E C49E C48E 123.9(5) . .
C62E C49E C50E 120.1(5) . .
C48E C49E C50E 107.5(5) . .
C58E C50E C46E 119.8(5) . .
C58E C50E C49E 118.9(5) . .
C46E C50E C49E 108.8(5) . .
C45E C51E C52E 119.8(5) . .
C45E C51E C55E 120.4(5) . .
C52E C51E C55E 108.1(5) . .
C35E C52E C51E 121.5(5) . .
C35E C52E C53E 117.5(5) . .
C51E C52E C53E 109.0(4) . .
C68E C53E C54E 121.0(4) . .
C68E C53E C52E 123.7(5) . .
C54E C53E C52E 106.7(5) . .
C69E C54E C55E 122.6(4) . .
C69E C54E C53E 121.1(4) . .
C55E C54E C53E 107.5(4) . .
C56E C55E C51E 120.2(5) . .
C56E C55E C54E 118.6(5) . .
C51E C55E C54E 108.7(5) . .
C55E C56E C60E 119.7(5) . .
C55E C56E C57E 119.6(5) . .
C60E C56E C57E 109.5(5) . .
C44E C57E C58E 120.2(5) . .
C44E C57E C56E 120.0(5) . .
C58E C57E C56E 106.0(5) . .
C50E C58E C59E 120.1(5) . .
C50E C58E C57E 120.0(5) . .
C59E C58E C57E 110.0(5) . .
C61E C59E C58E 122.3(5) . .
C61E C59E C60E 120.8(5) . .
C58E C59E C60E 107.0(4) . .
C70E C60E C56E 122.3(4) . .
C70E C60E C59E 121.5(4) . .
C56E C60E C59E 107.4(5) . .
C4E C61E C59E 116.9(5) . .
C4E C61E C62E 119.8(5) . .
C59E C61E C62E 117.6(5) . .
C49E C62E C61E 120.7(5) . .
C49E C62E C29E 114.2(4) . .
C61E C62E C29E 117.7(5) . .
C48E C63E C28E 116.0(4) . .
C48E C63E C64E 119.1(4) . .
C28E C63E C64E 117.8(4) . .
C18E C64E C38E 116.4(4) . .
C18E C64E C63E 118.1(4) . .
C38E C64E C63E 118.5(4) . .
C17E C65E C37E 117.0(4) . .
C17E C65E C66E 118.3(5) . .
C37E C65E C66E 118.0(4) . .
C32E C66E C13E 116.0(5) . .
C32E C66E C65E 119.5(5) . .
C13E C66E C65E 116.9(4) . .
C12E C67E C31E 118.0(5) . .
C12E C67E C68E 117.4(4) . .
C31E C67E C68E 117.7(5) . .
C53E C68E C9E 117.7(4) . .
C53E C68E C67E 118.2(5) . .
C9E C68E C67E 117.8(4) . .
C54E C69E C10E 115.9(4) . .
C54E C69E C70E 118.5(4) . .
C10E C69E C70E 118.1(4) . .
C5E C70E C60E 116.0(4) . .
C5E C70E C69E 119.1(5) . .
C60E C70E C69E 117.9(4) . .
C24F C1F C5F 119.3(5) . .
C24F C1F C2F 122.5(5) . .
C5F C1F C2F 108.5(5) . .
C66F C2F C1F 122.9(5) . .
C66F C2F C3F 120.1(5) . .
C1F C2F C3F 107.9(6) . .
C67F C3F C4F 123.2(6) . .
C67F C3F C2F 121.3(6) . .
C4F C3F C2F 106.0(5) . .
C6F C4F C5F 120.7(7) . .
C6F C4F C3F 119.7(6) . .
C5F C4F C3F 109.9(5) . .
C30F C5F C4F 119.5(6) . .
C30F C5F C1F 119.5(5) . .
C4F C5F C1F 107.5(6) . .
C4F C6F C7F 118.9(7) . .
C4F C6F C10F 119.6(7) . .
C7F C6F C10F 108.0(6) . .
C6F C7F C8F 109.5(7) . .
C6F C7F C68F 122.3(6) . .
C8F C7F C68F 120.5(5) . .
C69F C8F C7F 121.2(6) . .
C69F C8F C9F 123.7(6) . .
C7F C8F C9F 106.0(6) . .
C11F C9F C10F 122.0(6) . .
C11F C9F C8F 118.8(6) . .
C10F C9F C8F 108.3(6) . .
C29F C10F C9F 120.0(7) . .
C29F C10F C6F 120.2(6) . .
C9F C10F C6F 108.3(6) . .
C9F C11F C12F 120.3(6) . .
C9F C11F C15F 118.2(6) . .
C12F C11F C15F 109.3(6) . .
C70F C12F C13F 122.1(6) . .
C70F C12F C11F 121.3(6) . .
C13F C12F C11F 107.1(6) . .
C12F C13F C61F 121.0(6) . .
C12F C13F C14F 108.9(6) . .
C61F C13F C14F 120.3(6) . .
C16F C14F C15F 119.8(6) . .
C16F C14F C13F 120.0(7) . .
C15F C14F C13F 108.3(6) . .
C28F C15F C14F 121.6(6) . .
C28F C15F C11F 119.5(7) . .
C14F C15F C11F 106.3(6) . .
C14F C16F C20F 117.6(7) . .
C14F C16F C17F 120.5(6) . .
C20F C16F C17F 108.7(5) . .
C18F C17F C62F 122.6(7) . .
C18F C17F C16F 108.4(6) . .
C62F C17F C16F 120.3(6) . .
C17F C18F C63F 121.2(6) . .
C17F C18F C19F 108.7(6) . .
C63F C18F C19F 119.6(5) . .
C21F C19F C18F 121.0(6) . .
C21F C19F C20F 119.8(6) . .
C18F C19F C20F 108.1(5) . .
C27F C20F C16F 121.4(6) . .
C27F C20F C19F 119.9(6) . .
C16F C20F C19F 106.1(6) . .
C19F C21F C22F 120.6(5) . .
C19F C21F C25F 120.6(6) . .
C22F C21F C25F 107.2(5) . .
C64F C22F C23F 121.6(5) . .
C64F C22F C21F 120.5(5) . .
C23F C22F C21F 109.2(5) . .
C65F C23F C22F 122.3(5) . .
C65F C23F C24F 122.9(5) . .
C22F C23F C24F 106.0(5) . .
C1F C24F C25F 121.4(6) . .
C1F C24F C23F 115.9(5) . .
C25F C24F C23F 109.7(5) . .
C26F C25F C24F 120.8(6) . .
C26F C25F C21F 119.6(5) . .
C24F C25F C21F 107.8(5) . .
C25F C26F C30F 120.0(6) . .
C25F C26F C27F 120.3(6) . .
C30F C26F C27F 107.7(6) . .
C20F C27F C26F 119.9(6) . .
C20F C27F C28F 120.9(6) . .
C26F C27F C28F 107.2(6) . .
C15F C28F C29F 121.2(7) . .
C15F C28F C27F 118.7(7) . .
C29F C28F C27F 108.4(6) . .
C10F C29F C30F 120.2(7) . .
C10F C29F C28F 119.0(6) . .
C30F C29F C28F 108.0(7) . .
C5F C30F C29F 119.8(6) . .
C5F C30F C26F 118.8(6) . .
C29F C30F C26F 108.7(7) . .
C32F C31F C36F 120.7(5) . .
C32F C31F C35F 108.4(5) . .
C36F C31F C35F 118.9(6) . .
C57F C32F C31F 120.5(5) . .
C57F C32F C33F 119.1(5) . .
C31F C32F C33F 108.8(5) . .
C69F C33F C34F 120.8(5) . .
C69F C33F C32F 121.3(5) . .
C34F C33F C32F 108.5(5) . .
C68F C34F C33F 121.4(6) . .
C68F C34F C35F 120.9(5) . .
C33F C34F C35F 107.0(5) . .
C48F C35F C31F 122.7(6) . .
C48F C35F C34F 117.8(5) . .
C31F C35F C34F 107.3(5) . .
C40F C36F C31F 118.9(6) . .
C40F C36F C37F 110.3(6) . .
C31F C36F C37F 119.3(6) . .
C56F C37F C36F 120.1(6) . .
C56F C37F C38F 119.1(6) . .
C36F C37F C38F 107.5(6) . .
C55F C38F C39F 118.4(6) . .
C55F C38F C37F 119.6(7) . .
C39F C38F C37F 109.4(7) . .
C41F C39F C38F 121.7(7) . .
C41F C39F C40F 119.3(6) . .
C38F C39F C40F 106.3(6) . .
C47F C40F C36F 123.2(7) . .
C47F C40F C39F 118.4(6) . .
C36F C40F C39F 106.5(6) . .
C39F C41F C42F 120.1(7) . .
C39F C41F C45F 121.1(7) . .
C42F C41F C45F 106.6(5) . .
C51F C42F C41F 120.2(6) . .
C51F C42F C43F 120.7(6) . .
C41F C42F C43F 108.3(5) . .
C44F C43F C64F 123.3(5) . .
C44F C43F C42F 108.5(5) . .
C64F C43F C42F 119.6(5) . .
C43F C44F C65F 120.2(5) . .
C43F C44F C45F 108.1(5) . .
C65F C44F C45F 121.9(5) . .
C46F C45F C44F 119.9(6) . .
C46F C45F C41F 119.9(6) . .
C44F C45F C41F 108.5(5) . .
C45F C46F C47F 118.8(7) . .
C45F C46F C50F 118.8(5) . .
C47F C46F C50F 111.0(6) . .
C40F C47F C46F 122.4(7) . .
C40F C47F C48F 118.7(6) . .
C46F C47F C48F 105.3(6) . .
C35F C48F C49F 121.6(7) . .
C35F C48F C47F 117.6(6) . .
C49F C48F C47F 109.1(6) . .
C67F C49F C48F 122.2(6) . .
C67F C49F C50F 120.4(6) . .
C48F C49F C50F 108.1(7) . .
C66F C50F C46F 123.8(6) . .
C66F C50F C49F 119.3(6) . .
C46F C50F C49F 106.5(6) . .
C42F C51F C52F 119.2(5) . .
C42F C51F C55F 119.6(6) . .
C52F C51F C55F 109.4(6) . .
C63F C52F C51F 122.4(6) . .
C63F C52F C53F 122.0(6) . .
C51F C52F C53F 106.4(6) . .
C62F C53F C54F 123.2(6) . .
C62F C53F C52F 120.6(6) . .
C54F C53F C52F 107.3(6) . .
C60F C54F C53F 119.6(7) . .
C60F C54F C55F 119.0(6) . .
C53F C54F C55F 110.5(6) . .
C38F C55F C54F 121.7(6) . .
C38F C55F C51F 120.1(6) . .
C54F C55F C51F 106.5(6) . .
C37F C56F C60F 121.5(6) . .
C37F C56F C57F 120.7(5) . .
C60F C56F C57F 106.6(5) . .
C32F C57F C58F 120.3(5) . .
C32F C57F C56F 118.6(5) . .
C58F C57F C56F 109.0(5) . .
C70F C58F C57F 123.5(6) . .
C70F C58F C59F 121.5(5) . .
C57F C58F C59F 106.4(5) . .
C60F C59F C61F 123.9(6) . .
C60F C59F C58F 108.0(5) . .
C61F C59F C58F 119.6(5) . .
C59F C60F C54F 118.9(6) . .
C59F C60F C56F 110.1(5) . .
C54F C60F C56F 119.1(6) . .
C59F C61F C13F 116.7(6) . .
C59F C61F C62F 116.9(6) . .
C13F C61F C62F 119.1(6) . .
C53F C62F C17F 115.5(6) . .
C53F C62F C61F 117.3(5) . .
C17F C62F C61F 119.3(6) . .
C52F C63F C18F 115.7(6) . .
C52F C63F C64F 119.0(6) . .
C18F C63F C64F 118.4(5) . .
C22F C64F C43F 114.9(5) . .
C22F C64F C63F 119.7(5) . .
C43F C64F C63F 118.7(5) . .
C23F C65F C44F 115.6(5) . .
C23F C65F C66F 119.1(5) . .
C44F C65F C66F 118.0(5) . .
C2F C66F C50F 119.5(6) . .
C2F C66F C65F 116.4(5) . .
C50F C66F C65F 117.4(5) . .
C3F C67F C49F 117.4(6) . .
C3F C67F C68F 117.7(7) . .
C49F C67F C68F 117.9(6) . .
C34F C68F C7F 115.7(5) . .
C34F C68F C67F 119.4(6) . .
C7F C68F C67F 117.6(6) . .
C8F C69F C33F 118.2(6) . .
C8F C69F C70F 117.8(6) . .
C33F C69F C70F 117.8(5) . .
C58F C70F C12F 117.0(6) . .
C58F C70F C69F 117.7(5) . .
C12F C70F C69F 117.9(5) . .
C2G C1G C6G 121.3(4) . .
C2G C1G Cl1G 119.1(3) . .
C6G C1G Cl1G 119.6(4) . .
C1G C2G C3G 119.6(4) . .
C1G C2G H2G 120.2 . .
C3G C2G H2G 120.2 . .
C4G C3G C2G 120.7(5) . .
C4G C3G H3G 119.7 . .
C2G C3G H3G 119.7 . .
C3G C4G C5G 120.4(5) . .
C3G C4G H4G 119.8 . .
C5G C4G H4G 119.8 . .
C4G C5G C6G 120.2(5) . .
C4G C5G H5G 119.9 . .
C6G C5G H5G 119.9 . .
C1G C6G C5G 117.9(5) . .
C1G C6G H6G 121.0 . .
C5G C6G H6G 121.0 . .
C6H C1H C2H 121.3(4) . .
C6H C1H Cl1H 119.4(4) . .
C2H C1H Cl1H 119.3(4) . .
C1H C2H C3H 118.5(4) . .
C1H C2H H2H 120.7 . .
C3H C2H H2H 120.7 . .
C4H C3H C2H 120.5(5) . .
C4H C3H H3H 119.7 . .
C2H C3H H3H 119.7 . .
C3H C4H C5H 120.5(5) . .
C3H C4H H4H 119.8 . .
C5H C4H H4H 119.8 . .
C4H C5H C6H 120.3(5) . .
C4H C5H H5H 119.9 . .
C6H C5H H5H 119.9 . .
C1H C6H C5H 118.9(4) . .
C1H C6H H6H 120.5 . .
C5H C6H H6H 120.5 . .
C2I C1I C6I 121.9(4) . .
C2I C1I Cl1I 119.0(4) . .
C6I C1I Cl1I 119.0(4) . .
C1I C2I C3I 119.4(4) . .
C1I C2I H2I 120.3 . .
C3I C2I H2I 120.3 . .
C4I C3I C2I 119.9(5) . .
C4I C3I H3I 120.1 . .
C2I C3I H3I 120.1 . .
C5I C4I C3I 120.1(5) . .
C5I C4I H4I 119.9 . .
C3I C4I H4I 119.9 . .
C4I C5I C6I 121.3(5) . .
C4I C5I H5I 119.3 . .
C6I C5I H5I 119.3 . .
C5I C6I C1I 117.3(5) . .
C5I C6I H6I 121.3 . .
C1I C6I H6I 121.3 . .
C6J C1J C2J 121.7(4) . .
C6J C1J Cl1J 118.8(3) . .
C2J C1J Cl1J 119.5(3) . .
C1J C2J C3J 119.0(4) . .
C1J C2J H2J 120.5 . .
C3J C2J H2J 120.5 . .
C4J C3J C2J 120.7(5) . .
C4J C3J H3J 119.7 . .
C2J C3J H3J 119.7 . .
C3J C4J C5J 119.6(5) . .
C3J C4J H4J 120.2 . .
C5J C4J H4J 120.2 . .
C4J C5J C6J 120.5(5) . .
C4J C5J H5J 119.8 . .
C6J C5J H5J 119.8 . .
C1J C6J C5J 118.5(4) . .
C1J C6J H6J 120.7 . .
C5J C6J H6J 120.7 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1A C2A 1.341(5) .
C1A S1A 1.756(4) .
C1A S2A 1.759(4) .
C2A S4A 1.750(4) .
C2A S3A 1.754(4) .
C3A C4A 1.338(5) .
C3A S1A 1.756(4) .
C3A S5A 1.757(4) .
C4A S6A 1.745(4) .
C4A S2A 1.766(4) .
C5A C6A 1.339(5) .
C5A S7A 1.753(4) .
C5A S3A 1.764(4) .
C6A S8A 1.751(4) .
C6A S4A 1.766(4) .
C7A C8A 1.385(6) .
C7A C12A 1.391(6) .
C7A S5A 1.784(4) .
C8A C9A 1.391(6) .
C8A H8A 0.9300 .
C9A C10A 1.392(6) .
C9A H9A 0.9300 .
C10A C11A 1.385(7) .
C10A C13A 1.503(6) .
C11A C12A 1.391(7) .
C11A H11A 0.9300 .
C12A H12A 0.9300 .
C13A H13A 0.9600 .
C13A H13B 0.9600 .
C13A H13C 0.9600 .
C14A C15A 1.377(6) .
C14A C19A 1.399(5) .
C14A S6A 1.782(4) .
C15A C16A 1.389(6) .
C15A H15A 0.9300 .
C16A C17A 1.390(6) .
C16A H16A 0.9300 .
C17A C18A 1.386(6) .
C17A C20A 1.513(6) .
C18A C19A 1.380(6) .
C18A H18A 0.9300 .
C19A H19A 0.9300 .
C20A H20A 0.9600 .
C20A H20B 0.9600 .
C20A H20C 0.9600 .
C21A C26A 1.380(6) .
C21A C22A 1.387(6) .
C21A S7A 1.784(4) .
C22A C23A 1.383(6) .
C22A H22A 0.9300 .
C23A C24A 1.388(6) .
C23A H23A 0.9300 .
C24A C25A 1.385(7) .
C24A C27A 1.504(6) .
C25A C26A 1.397(7) .
C25A H25A 0.9300 .
C26A H26A 0.9300 .
C27A H27A 0.9600 .
C27A H27B 0.9600 .
C27A H27C 0.9600 .
C28A C33A 1.388(5) .
C28A C29A 1.390(6) .
C28A S8A 1.780(4) .
C29A C30A 1.384(5) .
C29A H29A 0.9300 .
C30A C31A 1.378(6) .
C30A H30A 0.9300 .
C31A C32A 1.391(6) .
C31A C34A 1.515(6) .
C32A C33A 1.376(6) .
C32A H32A 0.9300 .
C33A H33A 0.9300 .
C34A H34A 0.9600 .
C34A H34B 0.9600 .
C34A H34C 0.9600 .
C1B C2B 1.341(5) .
C1B S2B 1.757(4) .
C1B S1B 1.761(4) .
C2B S4B 1.750(4) .
C2B S3B 1.755(4) .
C3B C4B 1.351(6) .
C3B S5B 1.754(4) .
C3B S1B 1.757(4) .
C4B S2B 1.751(4) .
C4B S6B 1.757(4) .
C5B C6B 1.340(5) .
C5B S7B 1.746(4) .
C5B S3B 1.765(4) .
C6B S8B 1.751(4) .
C6B S4B 1.765(4) .
C7B C8B 1.390(6) .
C7B C12B 1.396(6) .
C7B S5B 1.780(4) .
C8B C9B 1.388(6) .
C8B H8B 0.9300 .
C9B C10B 1.390(6) .
C9B H9B 0.9300 .
C10B C11B 1.387(6) .
C10B C13B 1.500(6) .
C11B C12B 1.382(6) .
C11B H11B 0.9300 .
C12B H12B 0.9300 .
C13B H13D 0.9600 .
C13B H13E 0.9600 .
C13B H13F 0.9600 .
C14B C15B 1.380(6) .
C14B C19B 1.394(6) .
C14B S6B 1.781(4) .
C15B C16B 1.387(6) .
C15B H15B 0.9300 .
C16B C17B 1.389(6) .
C16B H16B 0.9300 .
C17B C18B 1.382(6) .
C17B C20B 1.509(6) .
C18B C19B 1.392(6) .
C18B H18B 0.9300 .
C19B H19B 0.9300 .
C20B H20D 0.9600 .
C20B H20E 0.9600 .
C20B H20F 0.9600 .
C21B C22B 1.386(6) .
C21B C26B 1.391(5) .
C21B S7B 1.773(4) .
C22B C23B 1.393(5) .
C22B H22B 0.9300 .
C23B C24B 1.387(6) .
C23B H23B 0.9300 .
C24B C25B 1.402(6) .
C24B C27B 1.500(5) .
C25B C26B 1.376(5) .
C25B H25B 0.9300 .
C26B H26B 0.9300 .
C27B H27D 0.9600 .
C27B H27E 0.9600 .
C27B H27F 0.9600 .
C28B C29B 1.381(6) .
C28B C33B 1.392(6) .
C28B S8B 1.777(4) .
C29B C30B 1.384(6) .
C29B H29B 0.9300 .
C30B C31B 1.396(6) .
C30B H30B 0.9300 .
C31B C32B 1.386(7) .
C31B C34B 1.506(6) .
C32B C33B 1.390(7) .
C32B H32B 0.9300 .
C33B H33B 0.9300 .
C34B H34D 0.9600 .
C34B H34E 0.9600 .
C34B H34F 0.9600 .
C1C C6C 1.403(6) .
C1C C5C 1.445(7) .
C1C C2C 1.453(7) .
C2C C21C 1.365(7) .
C2C C3C 1.458(6) .
C3C C62C 1.416(6) .
C3C C4C 1.428(7) .
C4C C63C 1.416(6) .
C4C C5C 1.447(6) .
C5C C16C 1.380(7) .
C6C C7C 1.432(7) .
C6C C10C 1.457(6) .
C7C C25C 1.391(6) .
C7C C8C 1.450(6) .
C8C C11C 1.386(7) .
C8C C9C 1.445(6) .
C9C C30C 1.398(6) .
C9C C10C 1.455(6) .
C10C C17C 1.384(7) .
C11C C15C 1.438(6) .
C11C C12C 1.449(6) .
C12C C24C 1.379(6) .
C12C C13C 1.444(7) .
C13C C69C 1.421(6) .
C13C C14C 1.441(6) .
C14C C68C 1.410(6) .
C14C C15C 1.452(6) .
C15C C29C 1.378(6) .
C16C C20C 1.451(7) .
C16C C17C 1.456(6) .
C17C C18C 1.439(7) .
C18C C26C 1.381(6) .
C18C C19C 1.452(6) .
C19C C65C 1.416(7) .
C19C C20C 1.425(7) .
C20C C64C 1.410(6) .
C21C C25C 1.447(6) .
C21C C22C 1.453(7) .
C22C C23C 1.417(7) .
C22C C61C 1.427(6) .
C23C C70C 1.406(7) .
C23C C24C 1.452(6) .
C24C C25C 1.446(7) .
C26C C27C 1.438(6) .
C26C C30C 1.444(6) .
C27C C66C 1.423(6) .
C27C C28C 1.438(6) .
C28C C67C 1.417(6) .
C28C C29C 1.447(6) .
C29C C30C 1.444(6) .
C31C C36C 1.389(6) .
C31C C35C 1.441(7) .
C31C C32C 1.448(6) .
C32C C47C 1.371(7) .
C32C C33C 1.448(7) .
C33C C65C 1.415(6) .
C33C C34C 1.435(6) .
C34C C64C 1.410(7) .
C34C C35C 1.451(6) .
C35C C58C 1.380(6) .
C36C C40C 1.446(6) .
C36C C37C 1.459(6) .
C37C C46C 1.392(6) .
C37C C38C 1.442(6) .
C38C C41C 1.381(7) .
C38C C39C 1.454(6) .
C39C C52C 1.399(6) .
C39C C40C 1.455(6) .
C40C C57C 1.380(6) .
C41C C42C 1.450(6) .
C41C C45C 1.451(7) .
C42C C50C 1.379(7) .
C42C C43C 1.447(7) .
C43C C44C 1.420(7) .
C43C C68C 1.427(6) .
C44C C69C 1.414(7) .
C44C C45C 1.443(7) .
C45C C51C 1.381(7) .
C46C C50C 1.447(6) .
C46C C47C 1.453(7) .
C47C C48C 1.444(6) .
C48C C66C 1.416(6) .
C48C C49C 1.419(7) .
C49C C67C 1.418(6) .
C49C C50C 1.438(6) .
C51C C55C 1.432(7) .
C51C C52C 1.448(6) .
C52C C53C 1.435(7) .
C53C C56C 1.389(6) .
C53C C54C 1.443(6) .
C54C C61C 1.413(7) .
C54C C55C 1.435(7) .
C55C C70C 1.421(6) .
C56C C60C 1.438(6) .
C56C C57C 1.450(6) .
C57C C58C 1.451(6) .
C58C C59C 1.442(6) .
C59C C63C 1.413(6) .
C59C C60C 1.423(6) .
C60C C62C 1.429(6) .
C61C C62C 1.451(7) .
C63C C64C 1.468(7) .
C65C C66C 1.464(6) .
C67C C68C 1.453(6) .
C69C C70C 1.472(7) .
C1D C6D 1.392(7) .
C1D C5D 1.441(6) .
C1D C2D 1.449(6) .
C2D C12D 1.382(7) .
C2D C3D 1.442(7) .
C3D C66D 1.415(7) .
C3D C4D 1.424(7) .
C4D C67D 1.409(7) .
C4D C5D 1.453(7) .
C5D C28D 1.379(6) .
C6D C10D 1.444(6) .
C6D C7D 1.454(6) .
C7D C11D 1.395(6) .
C7D C8D 1.450(7) .
C8D C20D 1.389(7) .
C8D C9D 1.449(7) .
C9D C25D 1.390(7) .
C9D C10D 1.447(7) .
C10D C27D 1.391(6) .
C11D C12D 1.431(7) .
C11D C15D 1.452(6) .
C12D C13D 1.452(6) .
C13D C65D 1.414(7) .
C13D C14D 1.423(7) .
C14D C64D 1.417(6) .
C14D C15D 1.454(7) .
C15D C16D 1.372(7) .
C16D C20D 1.440(7) .
C16D C17D 1.453(6) .
C17D C63D 1.415(7) .
C17D C18D 1.423(7) .
C18D C62D 1.412(7) .
C18D C19D 1.461(7) .
C19D C21D 1.367(7) .
C19D C20D 1.441(7) .
C21D C25D 1.443(7) .
C21D C22D 1.456(7) .
C22D C23D 1.422(7) .
C22D C61D 1.424(7) .
C23D C70D 1.417(7) .
C23D C24D 1.447(6) .
C24D C26D 1.375(7) .
C24D C25D 1.442(7) .
C26D C30D 1.438(6) .
C26D C27D 1.451(6) .
C27D C28D 1.443(7) .
C28D C29D 1.445(6) .
C29D C68D 1.415(6) .
C29D C30D 1.428(6) .
C30D C69D 1.415(6) .
C31D C36D 1.386(7) .
C31D C32D 1.443(7) .
C31D C35D 1.445(7) .
C32D C49D 1.374(7) .
C32D C33D 1.458(7) .
C33D C34D 1.420(7) .
C33D C66D 1.425(7) .
C34D C67D 1.419(7) .
C34D C35D 1.459(7) .
C35D C52D 1.371(7) .
C36D C37D 1.445(7) .
C36D C40D 1.457(7) .
C37D C50D 1.388(6) .
C37D C38D 1.452(6) .
C38D C41D 1.390(6) .
C38D C39D 1.456(6) .
C39D C56D 1.404(6) .
C39D C40D 1.437(7) .
C40D C51D 1.394(6) .
C41D C42D 1.440(6) .
C41D C45D 1.455(6) .
C42D C46D 1.381(7) .
C42D C43D 1.437(6) .
C43D C63D 1.422(6) .
C43D C44D 1.433(6) .
C44D C62D 1.410(7) .
C44D C45D 1.442(6) .
C45D C57D 1.380(6) .
C46D C50D 1.440(7) .
C46D C47D 1.459(6) .
C47D C48D 1.415(7) .
C47D C64D 1.423(7) .
C48D C65D 1.428(6) .
C48D C49D 1.451(7) .
C49D C50D 1.441(7) .
C51D C55D 1.430(7) .
C51D C52D 1.446(7) .
C52D C53D 1.446(6) .
C53D C54D 1.419(7) .
C53D C68D 1.429(6) .
C54D C69D 1.417(7) .
C54D C55D 1.457(6) .
C55D C60D 1.391(7) .
C56D C57D 1.431(7) .
C56D C60D 1.449(6) .
C57D C58D 1.446(6) .
C58D C61D 1.412(7) .
C58D C59D 1.432(7) .
C59D C70D 1.421(6) .
C59D C60D 1.440(7) .
C61D C62D 1.474(7) .
C63D C64D 1.457(7) .
C65D C66D 1.459(7) .
C67D C68D 1.467(7) .
C69D C70D 1.458(7) .
C1E C6E 1.387(7) .
C1E C5E 1.448(7) .
C1E C2E 1.452(7) .
C2E C24E 1.390(7) .
C2E C3E 1.439(8) .
C3E C30E 1.405(7) .
C3E C4E 1.459(7) .
C4E C61E 1.405(7) .
C4E C5E 1.451(7) .
C5E C70E 1.410(7) .
C6E C7E 1.444(7) .
C6E C10E 1.448(7) .
C7E C23E 1.390(7) .
C7E C8E 1.442(7) .
C8E C11E 1.388(7) .
C8E C9E 1.442(7) .
C9E C68E 1.406(7) .
C9E C10E 1.421(6) .
C10E C69E 1.450(7) .
C11E C12E 1.426(7) .
C11E C15E 1.453(8) .
C12E C67E 1.393(7) .
C12E C13E 1.447(7) .
C13E C14E 1.423(7) .
C13E C66E 1.427(7) .
C14E C16E 1.402(7) .
C14E C15E 1.435(7) .
C15E C22E 1.375(8) .
C16E C20E 1.418(7) .
C16E C17E 1.437(7) .
C17E C65E 1.405(7) .
C17E C18E 1.453(7) .
C18E C64E 1.400(7) .
C18E C19E 1.433(7) .
C19E C27E 1.379(7) .
C19E C20E 1.453(7) .
C20E C21E 1.400(7) .
C21E C25E 1.432(7) .
C21E C22E 1.457(8) .
C22E C23E 1.449(7) .
C23E C24E 1.424(8) .
C24E C25E 1.470(8) .
C25E C26E 1.369(8) .
C26E C30E 1.443(7) .
C26E C27E 1.451(7) .
C27E C28E 1.449(7) .
C28E C29E 1.426(7) .
C28E C63E 1.432(7) .
C29E C30E 1.417(8) .
C29E C62E 1.453(7) .
C31E C67E 1.402(7) .
C31E C32E 1.421(7) .
C31E C35E 1.442(7) .
C32E C66E 1.411(7) .
C32E C33E 1.471(8) .
C33E C36E 1.385(7) .
C33E C34E 1.436(7) .
C34E C41E 1.380(8) .
C34E C35E 1.457(7) .
C35E C52E 1.392(7) .
C36E C40E 1.429(7) .
C36E C37E 1.453(7) .
C37E C65E 1.410(7) .
C37E C38E 1.428(7) .
C38E C64E 1.421(6) .
C38E C39E 1.455(6) .
C39E C47E 1.367(7) .
C39E C40E 1.466(7) .
C40E C42E 1.383(7) .
C41E C42E 1.442(7) .
C41E C45E 1.455(7) .
C42E C43E 1.464(8) .
C43E C46E 1.366(8) .
C43E C44E 1.460(8) .
C44E C57E 1.400(7) .
C44E C45E 1.439(8) .
C45E C51E 1.385(8) .
C46E C50E 1.432(8) .
C46E C47E 1.439(7) .
C47E C48E 1.457(7) .
C48E C63E 1.402(7) .
C48E C49E 1.409(7) .
C49E C62E 1.406(7) .
C49E C50E 1.457(7) .
C50E C58E 1.396(7) .
C51E C52E 1.418(8) .
C51E C55E 1.440(7) .
C52E C53E 1.462(7) .
C53E C68E 1.376(7) .
C53E C54E 1.459(7) .
C54E C69E 1.401(7) .
C54E C55E 1.444(7) .
C55E C56E 1.392(7) .
C56E C60E 1.432(7) .
C56E C57E 1.440(7) .
C57E C58E 1.435(7) .
C58E C59E 1.429(7) .
C59E C61E 1.405(7) .
C59E C60E 1.448(7) .
C60E C70E 1.414(7) .
C61E C62E 1.447(7) .
C63E C64E 1.473(6) .
C65E C66E 1.482(7) .
C67E C68E 1.494(7) .
C69E C70E 1.462(6) .
C1F C24F 1.371(7) .
C1F C5F 1.433(8) .
C1F C2F 1.442(8) .
C2F C66F 1.385(8) .
C2F C3F 1.456(8) .
C3F C67F 1.393(8) .
C3F C4F 1.448(10) .
C4F C6F 1.382(9) .
C4F C5F 1.419(9) .
C5F C30F 1.411(9) .
C6F C7F 1.427(9) .
C6F C10F 1.438(10) .
C7F C8F 1.435(9) .
C7F C68F 1.445(9) .
C8F C69F 1.359(8) .
C8F C9F 1.476(9) .
C9F C11F 1.364(9) .
C9F C10F 1.422(9) .
C10F C29F 1.382(9) .
C11F C12F 1.459(9) .
C11F C15F 1.470(9) .
C12F C70F 1.418(8) .
C12F C13F 1.420(9) .
C13F C61F 1.432(9) .
C13F C14F 1.477(9) .
C14F C16F 1.413(9) .
C14F C15F 1.439(10) .
C15F C28F 1.369(9) .
C16F C20F 1.455(8) .
C16F C17F 1.456(10) .
C17F C18F 1.406(8) .
C17F C62F 1.438(8) .
C18F C63F 1.435(8) .
C18F C19F 1.459(8) .
C19F C21F 1.341(8) .
C19F C20F 1.464(9) .
C20F C27F 1.358(9) .
C21F C22F 1.450(8) .
C21F C25F 1.453(8) .
C22F C64F 1.404(8) .
C22F C23F 1.421(7) .
C23F C65F 1.406(7) .
C23F C24F 1.471(8) .
C24F C25F 1.401(8) .
C25F C26F 1.361(8) .
C26F C30F 1.442(9) .
C26F C27F 1.445(9) .
C27F C28F 1.449(9) .
C28F C29F 1.434(10) .
C29F C30F 1.424(9) .
C31F C32F 1.415(8) .
C31F C36F 1.421(9) .
C31F C35F 1.437(8) .
C32F C57F 1.389(7) .
C32F C33F 1.449(8) .
C33F C69F 1.412(8) .
C33F C34F 1.418(8) .
C34F C68F 1.404(8) .
C34F C35F 1.488(9) .
C35F C48F 1.384(8) .
C36F C40F 1.414(8) .
C36F C37F 1.422(9) .
C37F C56F 1.383(9) .
C37F C38F 1.432(9) .
C38F C55F 1.387(10) .
C38F C39F 1.430(10) .
C39F C41F 1.357(8) .
C39F C40F 1.498(10) .
C40F C47F 1.377(9) .
C41F C42F 1.426(9) .
C41F C45F 1.463(9) .
C42F C51F 1.367(8) .
C42F C43F 1.451(8) .
C43F C44F 1.412(7) .
C43F C64F 1.417(8) .
C44F C65F 1.427(7) .
C44F C45F 1.429(8) .
C45F C46F 1.398(9) .
C46F C47F 1.432(8) .
C46F C50F 1.438(9) .
C47F C48F 1.497(10) .
C48F C49F 1.415(9) .
C49F C67F 1.408(10) .
C49F C50F 1.480(9) .
C50F C66F 1.392(8) .
C51F C52F 1.427(9) .
C51F C55F 1.453(8) .
C52F C63F 1.380(8) .
C52F C53F 1.487(8) .
C53F C62F 1.391(9) .
C53F C54F 1.408(9) .
C54F C60F 1.400(8) .
C54F C55F 1.427(10) .
C56F C60F 1.441(8) .
C56F C57F 1.470(8) .
C57F C58F 1.414(8) .
C58F C70F 1.365(8) .
C58F C59F 1.506(8) .
C59F C60F 1.388(9) .
C59F C61F 1.405(8) .
C61F C62F 1.491(8) .
C63F C64F 1.454(8) .
C65F C66F 1.490(7) .
C67F C68F 1.473(8) .
C69F C70F 1.515(8) .
C1G C2G 1.377(6) .
C1G C6G 1.384(6) .
C1G Cl1G 1.731(5) .
C2G C3G 1.377(7) .
C2G H2G 0.9300 .
C3G C4G 1.362(8) .
C3G H3G 0.9300 .
C4G C5G 1.376(8) .
C4G H4G 0.9300 .
C5G C6G 1.411(8) .
C5G H5G 0.9300 .
C6G H6G 0.9300 .
C1H C6H 1.370(6) .
C1H C2H 1.372(6) .
C1H Cl1H 1.738(4) .
C2H C3H 1.388(7) .
C2H H2H 0.9300 .
C3H C4H 1.352(8) .
C3H H3H 0.9300 .
C4H C5H 1.366(8) .
C4H H4H 0.9300 .
C5H C6H 1.379(7) .
C5H H5H 0.9300 .
C6H H6H 0.9300 .
C1I C2I 1.356(6) .
C1I C6I 1.390(6) .
C1I Cl1I 1.743(5) .
C2I C3I 1.386(7) .
C2I H2I 0.9300 .
C3I C4I 1.368(7) .
C3I H3I 0.9300 .
C4I C5I 1.366(8) .
C4I H4I 0.9300 .
C5I C6I 1.385(7) .
C5I H5I 0.9300 .
C6I H6I 0.9300 .
C1J C6J 1.369(6) .
C1J C2J 1.374(6) .
C1J Cl1J 1.742(4) .
C2J C3J 1.380(7) .
C2J H2J 0.9300 .
C3J C4J 1.370(8) .
C3J H3J 0.9300 .
C4J C5J 1.380(7) .
C4J H4J 0.9300 .
C5J C6J 1.390(7) .
C5J H5J 0.9300 .
C6J H6J 0.9300 .
