#------------------------------------------------------------------------------
#$Date: 2016-03-21 02:46:57 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178405 $
#$URL: svn://www.crystallography.net/cod/cif/4/02/26/4022639.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_4022639
loop_
_publ_author_name
'Michael Sander'
'Thibaut Jarrosson'
'Shih-Ching Chuang'
'Saeed I. Khan'
'Yves Rubin'
_publ_section_title
;
 Approaches to Open Fullerenes: Synthesis and Thermal Stability
 of cis-1 Bis(isobenzofuran) Diels-Alder Adducts of C₆₀
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              2724
_journal_page_last               2731
_journal_paper_doi               10.1021/jo061987b
_journal_volume                  72
_journal_year                    2007
_chemical_formula_moiety         '5(C77 H12 O2), 6(C H Cl3)'
_chemical_formula_sum            'C391 H66 Cl18 O10'
_chemical_formula_weight         5560.54
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           8
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C -2y'
_symmetry_space_group_name_H-M   'C 1 m 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 99.637(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   20.310(4)
_cell_length_b                   20.105(3)
_cell_length_c                   27.042(5)
_cell_measurement_reflns_used    1024
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.63
_cell_measurement_theta_min      2.21
_cell_volume                     10887(3)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.967
_diffrn_measured_fraction_theta_max 0.967
_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  0.0563
_diffrn_reflns_av_sigmaI/netI    0.1501
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_limit_l_min       -36
_diffrn_reflns_number            35674
_diffrn_reflns_theta_full        28.29
_diffrn_reflns_theta_max         28.29
_diffrn_reflns_theta_min         1.44
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    0.314
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.9299
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   Sadabs(Bruker)
_exptl_crystal_colour            black-red
_exptl_crystal_density_diffrn    1.696
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             5596
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.984
_refine_diff_density_min         -0.754
_refine_diff_density_rms         0.072
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.00(19)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.883
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           fullcycle
_refine_ls_number_parameters     1917
_refine_ls_number_reflns         19360
_refine_ls_number_restraints     38
_refine_ls_restrained_S_all      0.888
_refine_ls_R_factor_all          0.1476
_refine_ls_R_factor_gt           0.0569
_refine_ls_shift/su_max          0.044
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0540P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1129
_refine_ls_wR_factor_ref         0.1396
_reflns_number_gt                9400
_reflns_number_total             19360
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            jo061987bsi20060927_031323.cif
_cod_data_source_block           yr160
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'C m'
_cod_database_code               4022639
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'x, -y, z'
'x+1/2, y+1/2, z'
'x+1/2, -y+1/2, 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
C1 C 0.4830(3) 0.5392(2) 0.97063(17) 0.0165(12) Uani 1 1 d . . .
C2 C 0.4160(3) 0.5570(3) 0.98474(18) 0.0195(12) Uani 1 1 d . . .
C3 C 0.3822(4) 0.5000 0.9975(2) 0.0166(17) Uani 1 2 d S . .
C4 C 0.3128(4) 0.5000 0.9948(2) 0.0166(17) Uani 1 2 d S . .
C5 C 0.2743(3) 0.5574(3) 0.97737(18) 0.0210(13) Uani 1 1 d . . .
C6 C 0.2131(3) 0.5352(2) 0.9471(2) 0.0237(13) Uani 1 1 d . . .
C7 C 0.1866(3) 0.5698(3) 0.9033(2) 0.0260(13) Uani 1 1 d . . .
C8 C 0.1588(3) 0.5347(3) 0.8589(2) 0.0269(14) Uani 1 1 d . . .
C9 C 0.1760(3) 0.5712(3) 0.8157(2) 0.0256(13) Uani 1 1 d . . .
C10 C 0.1908(3) 0.5358(3) 0.7752(2) 0.0288(14) Uani 1 1 d . . .
C11 C 0.2446(3) 0.5589(3) 0.75067(19) 0.0287(14) Uani 1 1 d . . .
C12 C 0.2809(5) 0.5000 0.7351(3) 0.028(2) Uani 1 2 d S . .
C13 C 0.3485(4) 0.5000 0.7401(3) 0.027(2) Uani 1 2 d S . .
C14 C 0.3872(3) 0.5576(3) 0.75832(19) 0.0226(13) Uani 1 1 d . . .
C15 C 0.4483(3) 0.5366(2) 0.78940(19) 0.0216(13) Uani 1 1 d . . .
C16 C 0.4739(3) 0.5685(2) 0.83336(19) 0.0193(12) Uani 1 1 d . . .
C17 C 0.5041(3) 0.5334(2) 0.87817(18) 0.0209(13) Uani 1 1 d . . .
C18 C 0.5005(3) 0.5791(3) 0.92417(19) 0.0205(12) Uani 1 1 d . . .
C19 C 0.4485(3) 0.6295(2) 0.90050(19) 0.0199(12) Uani 1 1 d . . .
C20 C 0.4399(3) 0.6271(3) 0.84688(19) 0.0246(14) Uani 1 1 d . . .
C21 C 0.3825(3) 0.6498(3) 0.8185(2) 0.0241(13) Uani 1 1 d . . .
C22 C 0.3538(3) 0.6137(2) 0.77265(19) 0.0212(13) Uani 1 1 d . . .
C23 C 0.2820(3) 0.6138(3) 0.76846(19) 0.0301(15) Uani 1 1 d . . .
C24 C 0.2656(3) 0.6504(3) 0.8113(2) 0.0261(14) Uani 1 1 d . . .
C25 C 0.2130(3) 0.6293(3) 0.83416(19) 0.0226(13) Uani 1 1 d . . .
C26 C 0.2194(3) 0.6293(3) 0.8885(2) 0.0254(13) Uani 1 1 d . . .
C27 C 0.2800(3) 0.6498(3) 0.91861(19) 0.0229(13) Uani 1 1 d . . .
C28 C 0.3084(3) 0.6138(3) 0.96223(19) 0.0223(13) Uani 1 1 d . . .
C29 C 0.3802(3) 0.6138(2) 0.96704(19) 0.0172(12) Uani 1 1 d . . .
C30 C 0.3970(3) 0.6520(2) 0.92368(19) 0.0217(13) Uani 1 1 d . . .
C31 C 0.3350(3) 0.6717(2) 0.89393(19) 0.0189(12) Uani 1 1 d . . .
C32 C 0.3275(3) 0.6721(3) 0.8420(2) 0.0231(13) Uani 1 1 d . . .
C33 C 0.5459(3) 0.5595(2) 1.01205(18) 0.0175(12) Uani 1 1 d . . .
C34 C 0.5382(3) 0.6304(2) 1.02635(18) 0.0199(12) Uani 1 1 d . . .
C35 C 0.5508(3) 0.6657(3) 0.98413(19) 0.0222(13) Uani 1 1 d . . .
C36 C 0.5672(3) 0.6147(2) 0.94810(19) 0.0196(12) Uani 1 1 d . . .
H36 H 0.5951 0.6311 0.9235 0.023 Uiso 1 1 calc R . .
C37 C 0.5462(3) 0.7339(3) 0.98229(19) 0.0219(13) Uani 1 1 d . . .
H37 H 0.5541 0.7575 0.9534 0.026 Uiso 1 1 calc R . .
C38 C 0.5297(3) 0.7677(3) 1.02341(19) 0.0248(13) Uani 1 1 d . . .
H38 H 0.5271 0.8149 1.0228 0.030 Uiso 1 1 calc R . .
C39 C 0.5169(3) 0.7328(2) 1.0657(2) 0.0247(13) Uani 1 1 d . . .
H39 H 0.5053 0.7562 1.0935 0.030 Uiso 1 1 calc R . .
C40 C 0.5212(3) 0.6641(3) 1.06675(19) 0.0237(13) Uani 1 1 d . . .
H40 H 0.5125 0.6402 1.0953 0.028 Uiso 1 1 calc R . .
O41 O 0.59825(17) 0.56446(16) 0.98198(12) 0.0191(8) Uani 1 1 d . . .
C42 C 0.5590(4) 0.5000 1.0460(3) 0.0197(17) Uani 1 2 d S . .
H42A H 0.6057 0.5000 1.0637 0.024 Uiso 1 2 calc SR . .
H42B H 0.5287 0.5000 1.0711 0.024 Uiso 1 2 calc SR . .
C43 C 0.8133(3) 0.5397(2) 0.99671(18) 0.0184(12) Uani 1 1 d . . .
C44 C 0.7553(3) 0.5579(2) 0.95625(18) 0.0164(12) Uani 1 1 d . . .
C45 C 0.7187(4) 0.5000 0.9371(2) 0.0168(17) Uani 1 2 d S . .
C46 C 0.6790(4) 0.5000 0.8895(3) 0.0221(18) Uani 1 2 d S . .
C47 C 0.6764(3) 0.5581(2) 0.85929(18) 0.0168(12) Uani 1 1 d . . .
C48 C 0.6731(3) 0.5365(2) 0.80700(18) 0.0205(12) Uani 1 1 d . . .
C49 C 0.7078(3) 0.5704(3) 0.77553(19) 0.0239(13) Uani 1 1 d . . .
C50 C 0.7459(3) 0.5340(2) 0.74238(18) 0.0224(13) Uani 1 1 d . . .
C51 C 0.8062(3) 0.5714(3) 0.73927(19) 0.0283(14) Uani 1 1 d . . .
C52 C 0.8652(3) 0.5370(2) 0.73684(19) 0.0257(14) Uani 1 1 d . . .
C53 C 0.9280(3) 0.5586(3) 0.7658(2) 0.0266(14) Uani 1 1 d . . .
C54 C 0.9679(4) 0.5000 0.7831(3) 0.0236(19) Uani 1 2 d S . .
C55 C 1.0060(4) 0.5000 0.8319(3) 0.0210(18) Uani 1 2 d S . .
C56 C 1.0056(3) 0.5593(3) 0.86299(19) 0.0242(13) Uani 1 1 d . . .
C57 C 1.0087(3) 0.5369(2) 0.9145(2) 0.0223(13) Uani 1 1 d . . .
C58 C 0.9718(3) 0.5685(3) 0.94666(18) 0.0193(12) Uani 1 1 d . . .
C59 C 0.9363(3) 0.5347(2) 0.98072(19) 0.0205(12) Uani 1 1 d . . .
C60 C 0.8795(3) 0.5794(2) 0.99354(19) 0.0181(12) Uani 1 1 d . . .
C61 C 0.8749(3) 0.6277(2) 0.95087(19) 0.0212(13) Uani 1 1 d . . .
C62 C 0.9344(3) 0.6281(3) 0.9285(2) 0.0224(13) Uani 1 1 d . . .
C63 C 0.9333(3) 0.6506(3) 0.8788(2) 0.0242(13) Uani 1 1 d . . .
C64 C 0.9701(3) 0.6146(3) 0.8460(2) 0.0233(13) Uani 1 1 d . . .
C65 C 0.9295(3) 0.6141(2) 0.7959(2) 0.0228(13) Uani 1 1 d . . .
C66 C 0.8681(3) 0.6507(3) 0.7990(2) 0.0251(13) Uani 1 1 d . . .
C67 C 0.8089(3) 0.6295(2) 0.77158(18) 0.0191(12) Uani 1 1 d . . .
C68 C 0.7476(3) 0.6295(3) 0.7932(2) 0.0269(14) Uani 1 1 d . . .
C69 C 0.7498(3) 0.6489(3) 0.8416(2) 0.0224(13) Uani 1 1 d . . .
C70 C 0.7147(3) 0.6127(2) 0.87554(19) 0.0221(13) Uani 1 1 d . . .
C71 C 0.7550(3) 0.6128(2) 0.92554(18) 0.0191(12) Uani 1 1 d . . .
C72 C 0.8166(3) 0.6493(2) 0.92305(19) 0.0217(13) Uani 1 1 d . . .
C73 C 0.8137(3) 0.6721(2) 0.8722(2) 0.0243(13) Uani 1 1 d . . .
C74 C 0.8710(3) 0.6716(3) 0.8499(2) 0.0241(13) Uani 1 1 d . . .
C75 C 0.8906(3) 0.6159(2) 1.04488(18) 0.0201(12) Uani 1 1 d . . .
H75 H 0.9368 0.6339 1.0551 0.024 Uiso 1 1 calc R . .
C76 C 0.8359(3) 0.6674(3) 1.04450(18) 0.0189(12) Uani 1 1 d . . .
C77 C 0.8308(3) 0.7350(3) 1.03559(18) 0.0237(13) Uani 1 1 d . . .
H77 H 0.8675 0.7602 1.0282 0.028 Uiso 1 1 calc R . .
C78 C 0.7693(3) 0.7645(3) 1.03797(18) 0.0221(13) Uani 1 1 d . . .
H78 H 0.7649 0.8113 1.0339 0.027 Uiso 1 1 calc R . .
C79 C 0.7147(3) 0.7281(3) 1.04600(19) 0.0244(13) Uani 1 1 d . . .
H79 H 0.6738 0.7502 1.0477 0.029 Uiso 1 1 calc R . .
C80 C 0.7187(3) 0.6594(2) 1.05168(18) 0.0213(12) Uani 1 1 d . . .
H80 H 0.6806 0.6339 1.0556 0.026 Uiso 1 1 calc R . .
C81 C 0.7804(3) 0.6294(2) 1.05150(18) 0.0197(12) Uani 1 1 d . . .
C82 C 0.8033(3) 0.5592(2) 1.05220(18) 0.0150(11) Uani 1 1 d . . .
O83 O 0.87303(18) 0.56534(17) 1.07755(12) 0.0209(8) Uani 1 1 d . . .
C84 C 0.7708(4) 0.5000 1.0721(3) 0.0202(17) Uani 1 2 d S . .
H84A H 0.7788 0.5000 1.1093 0.024 Uiso 1 2 calc SR . .
H84B H 0.7220 0.5000 1.0599 0.024 Uiso 1 2 calc SR . .
C85 C 0.8525(3) 0.5783(2) 0.4800(2) 0.0196(12) Uani 1 1 d . . .
C86 C 0.8470(3) 0.5345(2) 0.5238(2) 0.0213(13) Uani 1 1 d . . .
C87 C 0.8728(3) 0.5693(3) 0.5697(2) 0.0263(14) Uani 1 1 d . . .
C88 C 0.8979(3) 0.5343(3) 0.6142(2) 0.0298(15) Uani 1 1 d . . .
C89 C 0.9576(4) 0.5585(3) 0.6462(2) 0.0374(17) Uani 1 1 d . . .
C90 C 0.9954(5) 0.5000 0.6666(3) 0.033(2) Uani 1 2 d S . .
C91 C 1.0663(5) 0.5000 0.6719(3) 0.038(2) Uani 1 2 d S . .
C92 C 1.0990(4) 0.5581(3) 0.6588(2) 0.0351(16) Uani 1 1 d . . .
C93 C 1.1553(3) 0.5360(3) 0.6362(2) 0.0361(16) Uani 1 1 d . . .
C94 C 1.1750(3) 0.5693(3) 0.5961(3) 0.0414(18) Uani 1 1 d . . .
C95 C 1.1921(3) 0.5347(3) 0.5544(3) 0.0401(17) Uani 1 1 d . . .
C96 C 1.1670(3) 0.5715(3) 0.5080(3) 0.0379(16) Uani 1 1 d . . .
C97 C 1.1435(3) 0.5373(3) 0.4647(2) 0.0314(15) Uani 1 1 d . . .
C98 C 1.0817(3) 0.5570(3) 0.4337(2) 0.0323(15) Uani 1 1 d . . .
C99 C 1.0449(4) 0.5000 0.4138(3) 0.030(2) Uani 1 2 d S . .
C100 C 0.9743(4) 0.5000 0.4092(3) 0.026(2) Uani 1 2 d S . .
C101 C 0.9393(3) 0.5588(3) 0.42169(19) 0.0239(13) Uani 1 1 d . . .
C102 C 0.8711(3) 0.5397(2) 0.4324(2) 0.0215(13) Uani 1 1 d . . .
C103 C 0.9037(3) 0.6294(2) 0.5030(2) 0.0229(13) Uani 1 1 d . . .
C104 C 0.9084(3) 0.6281(3) 0.5563(2) 0.0236(13) Uani 1 1 d . . .
C105 C 0.9667(3) 0.6507(3) 0.5889(2) 0.0309(15) Uani 1 1 d . . .
C106 C 0.9906(4) 0.6145(3) 0.6337(2) 0.0366(17) Uani 1 1 d . . .
C107 C 1.0645(3) 0.6150(3) 0.6402(2) 0.0314(15) Uani 1 1 d . . .
C108 C 1.0819(3) 0.6511(3) 0.5983(2) 0.0355(16) Uani 1 1 d . . .
C109 C 1.1361(4) 0.6285(3) 0.5758(3) 0.0453(19) Uani 1 1 d . . .
C110 C 1.1315(3) 0.6283(3) 0.5218(3) 0.0383(17) Uani 1 1 d . . .
C111 C 1.0728(3) 0.6495(3) 0.4929(2) 0.0324(15) Uani 1 1 d . . .
C112 C 1.0481(3) 0.6128(3) 0.4462(2) 0.0259(14) Uani 1 1 d . . .
C113 C 0.9755(3) 0.6132(3) 0.44034(19) 0.0223(13) Uani 1 1 d . . .
C114 C 0.9569(3) 0.6493(2) 0.4826(2) 0.0211(13) Uani 1 1 d . . .
C115 C 1.0178(3) 0.6720(3) 0.5142(2) 0.0337(16) Uani 1 1 d . . .
C116 C 1.0217(3) 0.6726(3) 0.5668(2) 0.0312(16) Uani 1 1 d . . .
C117 C 0.7850(3) 0.6136(3) 0.4534(2) 0.0304(15) Uani 1 1 d . . .
H117 H 0.7552 0.6295 0.4768 0.036 Uiso 1 1 calc R . .
C118 C 0.8048(3) 0.6675(3) 0.4176(2) 0.0264(14) Uani 1 1 d . . .
C119 C 0.8107(3) 0.7369(3) 0.4198(2) 0.0335(16) Uani 1 1 d . . .
H119 H 0.8040 0.7612 0.4487 0.040 Uiso 1 1 calc R . .
C120 C 0.8266(3) 0.7678(3) 0.3783(3) 0.0353(16) Uani 1 1 d . . .
H120 H 0.8291 0.8149 0.3778 0.042 Uiso 1 1 calc R . .
C121 C 0.8393(3) 0.7316(3) 0.3367(3) 0.0441(19) Uani 1 1 d . . .
H121 H 0.8494 0.7550 0.3084 0.053 Uiso 1 1 calc R . .
C122 C 0.8377(3) 0.6625(3) 0.3357(2) 0.0361(16) Uani 1 1 d . . .
H122 H 0.8491 0.6379 0.3084 0.043 Uiso 1 1 calc R . .
C123 C 0.8186(3) 0.6318(3) 0.3765(2) 0.0315(15) Uani 1 1 d . . .
C124 C 0.8106(3) 0.5580(3) 0.3899(2) 0.0281(14) Uani 1 1 d . . .
O125 O 0.75693(19) 0.56402(19) 0.41899(15) 0.0302(10) Uani 1 1 d . . .
C126 C 0.8004(4) 0.5000 0.3539(3) 0.027(2) Uani 1 2 d S . .
H126 H 0.8337 0.5000 0.3311 0.032 Uiso 1 2 calc SR . .
H127 H 0.7549 0.5000 0.3339 0.032 Uiso 1 2 calc SR . .
C127 C 0.8589(3) 0.9610(3) 0.1853(2) 0.0230(16) Uani 1 1 d . . .
C128 C 0.8422(4) 0.9414(3) 0.2364(2) 0.0223(17) Uani 1 1 d . . .
C129 C 0.8422(5) 1.0000 0.2672(3) 0.019(2) Uani 1 2 d S . .
C130 C 0.8070(5) 1.0000 0.3084(3) 0.020(2) Uani 1 2 d S . .
C131 C 0.7700(3) 0.9423(3) 0.3178(2) 0.0198(17) Uani 1 1 d . . .
C132 C 0.7097(4) 0.9629(3) 0.3346(2) 0.0212(17) Uani 1 1 d . . .
C133 C 0.6491(4) 0.9293(4) 0.3180(2) 0.0289(19) Uani 1 1 d . . .
C134 C 0.5869(4) 0.9656(4) 0.3015(3) 0.030(2) Uani 1 1 d . . .
C135 C 0.5491(4) 0.9278(4) 0.2605(3) 0.039(2) Uani 1 1 d . . .
C136 C 0.5107(4) 0.9632(4) 0.2205(3) 0.0300(18) Uani 1 1 d . . .
C137 C 0.5105(3) 0.9417(4) 0.1692(3) 0.0228(17) Uani 1 1 d . . .
C138 C 0.5107(5) 1.0000 0.1381(4) 0.021(2) Uani 1 2 d S . .
C139 C 0.5456(5) 1.0000 0.0986(4) 0.020(2) Uani 1 2 d S . .
C140 C 0.5843(4) 0.9407(4) 0.0887(2) 0.0219(17) Uani 1 1 d . . .
C141 C 0.6461(4) 0.9645(3) 0.0742(2) 0.0220(17) Uani 1 1 d . . .
C142 C 0.7050(4) 0.9311(3) 0.0903(2) 0.0186(16) Uani 1 1 d . . .
C143 C 0.7673(3) 0.9657(3) 0.1051(2) 0.0175(16) Uani 1 1 d . . .
C144 C 0.8152(3) 0.9224(3) 0.1411(2) 0.0168(14) Uani 1 1 d . . .
C145 C 0.7679(4) 0.8708(3) 0.1560(2) 0.0227(17) Uani 1 1 d . . .
C146 C 0.7055(3) 0.8719(3) 0.1213(2) 0.0188(16) Uani 1 1 d . . .
C147 C 0.6467(4) 0.8497(3) 0.1351(2) 0.0224(17) Uani 1 1 d . . .
C148 C 0.5837(4) 0.8861(4) 0.1187(3) 0.0241(17) Uani 1 1 d . . .
C149 C 0.5469(4) 0.8853(3) 0.1595(3) 0.0243(18) Uani 1 1 d . . .
C150 C 0.5840(4) 0.8516(4) 0.2014(3) 0.0268(18) Uani 1 1 d . . .
C151 C 0.5882(4) 0.8716(3) 0.2505(3) 0.0248(18) Uani 1 1 d . . .
C152 C 0.6491(4) 0.8726(3) 0.2860(2) 0.0273(19) Uani 1 1 d . . .
C153 C 0.7083(4) 0.8505(3) 0.2707(3) 0.0225(17) Uani 1 1 d . . .
C154 C 0.7690(4) 0.8865(3) 0.2866(2) 0.0220(17) Uani 1 1 d . . .
C155 C 0.8077(3) 0.8874(3) 0.2455(2) 0.0195(16) Uani 1 1 d . . .
C156 C 0.7673(4) 0.8483(3) 0.2046(2) 0.0194(16) Uani 1 1 d . . .
C157 C 0.7085(4) 0.8285(3) 0.2197(3) 0.0237(18) Uani 1 1 d . . .
C158 C 0.6481(4) 0.8265(3) 0.1860(3) 0.0234(17) Uani 1 1 d . . .
C159 C 0.9334(3) 0.9417(3) 0.17716(19) 0.0246(14) Uani 1 1 d . . .
C160 C 0.9454(3) 0.8698(3) 0.1924(2) 0.0264(14) Uani 1 1 d . . .
C161 C 0.9818(3) 0.8380(3) 0.2342(2) 0.0327(15) Uani 1 1 d . . .
H161 H 1.0091 0.8626 0.2598 0.039 Uiso 1 1 calc R . .
C162 C 0.9767(3) 0.7699(3) 0.2370(2) 0.0398(18) Uani 1 1 d . . .
H162 H 1.0028 0.7472 0.2643 0.048 Uiso 1 1 calc R . .
C163 C 0.9341(3) 0.7329(3) 0.2010(2) 0.0308(16) Uani 1 1 d . . .
H163 H 0.9303 0.6862 0.2049 0.037 Uiso 1 1 calc R . .
C164 C 0.8969(3) 0.7649(3) 0.1589(2) 0.0283(15) Uani 1 1 d . . .
H164 H 0.8674 0.7407 0.1343 0.034 Uiso 1 1 calc R . .
C165 C 0.9051(3) 0.8329(3) 0.1550(2) 0.0273(14) Uani 1 1 d . . .
C166 C 0.8727(3) 0.8857(3) 0.1173(2) 0.0257(14) Uani 1 1 d . . .
H166 H 0.8585 0.8690 0.0823 0.031 Uiso 1 1 calc R . .
O167 O 0.9237(2) 0.93636(19) 0.12269(13) 0.0274(10) Uani 1 1 d . . .
C168 C 0.9780(4) 1.0000 0.1945(3) 0.028(2) Uani 1 2 d S . .
H168 H 1.0185 1.0000 0.1785 0.034 Uiso 1 2 calc SR . .
H169 H 0.9915 1.0000 0.2314 0.034 Uiso 1 2 calc SR . .
C169 C 0.0438(3) 0.9295(3) 0.6699(2) 0.0263(14) Uani 1 1 d . . .
C170 C -0.0146(3) 0.9644(3) 0.67230(19) 0.0258(14) Uani 1 1 d . . .
C171 C -0.0768(3) 0.9418(3) 0.6426(2) 0.0253(14) Uani 1 1 d . . .
C172 C -0.1139(4) 1.0000 0.6230(3) 0.028(2) Uani 1 2 d S . .
C173 C -0.1510(4) 1.0000 0.5759(3) 0.029(2) Uani 1 2 d S . .
C174 C -0.1538(3) 0.9426(3) 0.5443(2) 0.0251(14) Uani 1 1 d . . .
C175 C -0.1533(3) 0.9653(3) 0.4929(2) 0.0230(13) Uani 1 1 d . . .
C176 C -0.1171(3) 0.9305(3) 0.4626(2) 0.0241(13) Uani 1 1 d . . .
C177 C -0.0799(3) 0.9661(2) 0.42865(18) 0.0196(12) Uani 1 1 d . . .
C178 C -0.0234(3) 0.9207(2) 0.41784(18) 0.0178(12) Uani 1 1 d . . .
C179 C 0.0433(3) 0.9603(2) 0.41373(18) 0.0168(12) Uani 1 1 d . . .
C180 C 0.1007(3) 0.9424(2) 0.45578(18) 0.0167(12) Uani 1 1 d . . .
C181 C 0.1031(3) 0.8867(2) 0.4855(2) 0.0180(12) Uani 1 1 d . . .
C182 C 0.0405(3) 0.8492(2) 0.48759(18) 0.0169(12) Uani 1 1 d . . .
C183 C -0.0192(3) 0.8698(2) 0.45973(19) 0.0184(12) Uani 1 1 d . . .
C184 C -0.0788(3) 0.8726(2) 0.48152(19) 0.0187(12) Uani 1 1 d . . .
C185 C -0.0783(3) 0.8493(3) 0.5295(2) 0.0229(13) Uani 1 1 d . . .
C186 C -0.1167(3) 0.8864(3) 0.5615(2) 0.0244(14) Uani 1 1 d . . .
C187 C -0.0773(3) 0.8860(3) 0.6119(2) 0.0275(14) Uani 1 1 d . . .
C188 C -0.0156(3) 0.8495(3) 0.6109(2) 0.0230(13) Uani 1 1 d . . .
C189 C 0.0435(3) 0.8715(3) 0.6395(2) 0.0288(14) Uani 1 1 d . . .
C190 C -0.0169(3) 0.8265(2) 0.5592(2) 0.0219(13) Uani 1 1 d . . .
C191 C 0.0419(3) 0.8285(2) 0.5394(2) 0.0211(13) Uani 1 1 d . . .
C192 C 0.1377(4) 1.0000 0.4750(3) 0.0162(17) Uani 1 2 d S . .
C193 C 0.1777(4) 1.0000 0.5220(3) 0.0158(17) Uani 1 2 d S . .
C194 C 0.1789(3) 1.0586(3) 0.55471(19) 0.0215(13) Uani 1 1 d . . .
C195 C 0.1412(3) 1.1138(3) 0.53538(19) 0.0195(12) Uani 1 1 d . . .
C196 C 0.1031(3) 1.1502(2) 0.5675(2) 0.0212(13) Uani 1 1 d . . .
C197 C 0.1047(3) 1.1283(3) 0.61715(19) 0.0238(14) Uani 1 1 d . . .
C198 C 0.1429(3) 1.0708(3) 0.63606(18) 0.0211(13) Uani 1 1 d . . .
C199 C 0.1798(3) 1.0359(3) 0.6050(2) 0.0235(13) Uani 1 1 d . . .
C200 C 0.1064(3) 1.0348(3) 0.66830(19) 0.0283(14) Uani 1 1 d . . .
C201 C 0.0549(3) 0.9417(3) 0.35971(19) 0.0215(13) Uani 1 1 d . . .
C202 C 0.0768(3) 0.8690(3) 0.35952(18) 0.0190(12) Uani 1 1 d . . .
C203 C 0.1365(3) 0.8383(3) 0.35835(19) 0.0237(13) Uani 1 1 d . . .
H203 H 0.1754 0.8634 0.3555 0.028 Uiso 1 1 calc R . .
C204 C 0.1388(3) 0.7692(3) 0.3615(2) 0.0232(13) Uani 1 1 d . . .
H204 H 0.1794 0.7468 0.3593 0.028 Uiso 1 1 calc R . .
C205 C 0.0824(3) 0.7323(3) 0.36773(18) 0.0253(14) Uani 1 1 d . . .
H205 H 0.0849 0.6853 0.3708 0.030 Uiso 1 1 calc R . .
C206 C 0.0216(3) 0.7657(3) 0.36937(19) 0.0224(13) Uani 1 1 d . . .
H206 H -0.0172 0.7415 0.3735 0.027 Uiso 1 1 calc R . .
C207 C 0.0196(3) 0.8332(3) 0.36497(18) 0.0205(13) Uani 1 1 d . . .
C208 C -0.0357(3) 0.8855(2) 0.3644(2) 0.0222(13) Uani 1 1 d . . .
H208 H -0.0822 0.8691 0.3528 0.027 Uiso 1 1 calc R . .
O209 O -0.01296(18) 0.93565(17) 0.33314(13) 0.0206(8) Uani 1 1 d . . .
C210 C 0.0892(4) 1.0000 0.3391(3) 0.0185(17) Uani 1 2 d S . .
H210 H 0.1379 1.0000 0.3517 0.022 Uiso 1 2 calc SR . .
H211 H 0.0814 1.0000 0.3020 0.022 Uiso 1 2 calc SR . .
C211 C 0.6981(8) 0.6441(9) 0.2135(7) 0.086(8) Uiso 0.452(3) 1 d PD A 1
H212 H 0.6919 0.6818 0.2364 0.103 Uiso 0.452(3) 1 calc PR A 1
Cl1 Cl 0.6897(3) 0.5716(2) 0.24795(18) 0.0656(17) Uiso 0.452(3) 1 d PD A 1
Cl2 Cl 0.7707(2) 0.6606(2) 0.19231(14) 0.0463(11) Uiso 0.452(3) 1 d PD A 1
Cl3 Cl 0.6335(2) 0.6506(2) 0.16377(16) 0.0676(15) Uiso 0.452(3) 1 d PD A 1
C212 C 0.6985(6) 0.6436(7) 0.1897(5) 0.054(4) Uiso 0.548(3) 1 d PD A 2
H213 H 0.6901 0.6845 0.1684 0.065 Uiso 0.548(3) 1 calc PR A 2
Cl1' Cl 0.6511(2) 0.5743(2) 0.15878(14) 0.0594(13) Uiso 0.548(3) 1 d PD A 2
Cl2' Cl 0.67288(19) 0.65702(16) 0.24741(12) 0.0534(10) Uiso 0.548(3) 1 d PD A 2
Cl3' Cl 0.7815(2) 0.6170(2) 0.19181(16) 0.0786(13) Uiso 0.548(3) 1 d PD A 2
C213 C 0.0640(7) 0.7549(12) 0.7639(5) 0.230(11) Uiso 0.768(3) 1 d PD B 3
H214 H 0.0571 0.7057 0.7650 0.276 Uiso 0.768(3) 1 calc PR B 3
Cl4 Cl 0.08151(18) 0.76191(17) 0.82851(13) 0.0580(9) Uiso 0.768(3) 1 d PD B 3
Cl5 Cl -0.01752(15) 0.76988(13) 0.73693(10) 0.0630(9) Uiso 0.768(3) 1 d PD B 3
Cl6 Cl 0.12380(14) 0.74824(13) 0.73070(9) 0.0526(8) Uiso 0.768(3) 1 d PD B 3
C214 C 0.0457(16) 0.7466(9) 0.7862(7) 0.092 Uiso 0.232(3) 1 d PD B 4
H215 H -0.0035 0.7413 0.7854 0.110 Uiso 0.232(3) 1 calc PR B 4
Cl4' Cl 0.0727(6) 0.6882(5) 0.7489(4) 0.069(4) Uiso 0.232(3) 1 d PD B 4
Cl5' Cl 0.0619(5) 0.8253(5) 0.7643(4) 0.065(3) Uiso 0.232(3) 1 d PD B 4
Cl6' Cl 0.0871(8) 0.7426(7) 0.8482(4) 0.096(5) Uiso 0.232(3) 1 d PD B 4
C215 C 0.8106(7) 0.7515(5) 0.6197(4) 0.042(3) Uiso 0.539(3) 1 d PD C 5
H216 H 0.8589 0.7576 0.6175 0.050 Uiso 0.539(3) 1 calc PR C 5
Cl7 Cl 0.7636(2) 0.7534(2) 0.55890(15) 0.0401(11) Uiso 0.539(3) 1 d PD C 5
Cl8 Cl 0.7997(2) 0.67259(18) 0.64639(14) 0.0517(12) Uiso 0.539(3) 1 d PD C 5
Cl9 Cl 0.78633(19) 0.81337(16) 0.65618(12) 0.0401(11) Uiso 0.539(3) 1 d PD C 5
C216 C 0.7768(6) 0.7144(7) 0.6369(4) 0.038(4) Uiso 0.461(3) 1 d PD C 6
H217 H 0.7583 0.6684 0.6372 0.046 Uiso 0.461(3) 1 calc PR C 6
Cl7' Cl 0.7708(3) 0.7411(3) 0.5760(2) 0.069(2) Uiso 0.461(3) 1 d PD C 6
Cl8' Cl 0.8646(2) 0.7132(2) 0.66382(15) 0.0525(13) Uiso 0.461(3) 1 d PD C 6
Cl9' Cl 0.7377(3) 0.7648(3) 0.6741(2) 0.099(2) Uiso 0.461(3) 1 d PD C 6
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'
Cl Cl 0.1484 0.1585 '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'
H H 0.0000 0.0000 '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
C2 C1 C1 103.7(3) . 2_565
C2 C1 C18 114.2(4) . .
C1 C1 C18 120.5(2) 2_565 .
C2 C1 C33 114.0(4) . .
C1 C1 C33 104.8(2) 2_565 .
C18 C1 C33 99.6(4) . .
C29 C2 C3 120.2(5) . .
C29 C2 C1 123.1(5) . .
C3 C2 C1 111.3(5) . .
C4 C3 C2 121.0(4) . .
C4 C3 C2 121.0(4) . 2_565
C2 C3 C2 109.0(7) . 2_565
C3 C4 C5 120.6(4) . 2_565
C3 C4 C5 120.6(4) . .
C5 C4 C5 107.7(7) 2_565 .
C28 C5 C4 118.1(5) . .
C28 C5 C6 120.0(5) . .
C4 C5 C6 108.0(5) . .
C7 C6 C6 119.8(3) . 2_565
C7 C6 C5 119.9(5) . .
C6 C6 C5 108.1(3) 2_565 .
C6 C7 C8 120.6(5) . .
C6 C7 C26 120.8(5) . .
C8 C7 C26 108.0(5) . .
C8 C8 C7 119.6(3) 2_565 .
C8 C8 C9 120.0(3) 2_565 .
C7 C8 C9 108.0(5) . .
C10 C9 C25 121.7(5) . .
C10 C9 C8 119.0(5) . .
C25 C9 C8 108.1(5) . .
C9 C10 C10 121.0(3) . 2_565
C9 C10 C11 118.7(5) . .
C10 C10 C11 108.7(3) 2_565 .
C23 C11 C10 120.7(5) . .
C23 C11 C12 117.6(6) . .
C10 C11 C12 108.7(6) . .
C13 C12 C11 120.8(4) . 2_565
C13 C12 C11 120.8(4) . .
C11 C12 C11 105.0(8) 2_565 .
C12 C13 C14 121.2(4) . .
C12 C13 C14 121.2(4) . 2_565
C14 C13 C14 107.1(7) . 2_565
C22 C14 C13 118.7(6) . .
C22 C14 C15 118.9(5) . .
C13 C14 C15 109.3(5) . .
C16 C15 C14 122.2(5) . .
C16 C15 C15 117.8(3) . 2_565
C14 C15 C15 107.1(3) . 2_565
C15 C16 C20 118.2(5) . .
C15 C16 C17 122.9(5) . .
C20 C16 C17 109.9(4) . .
C17 C17 C16 119.2(3) 2_565 .
C17 C17 C18 126.1(3) 2_565 .
C16 C17 C18 108.1(4) . .
C19 C18 C17 100.3(4) . .
C19 C18 C36 111.0(4) . .
C17 C18 C36 116.3(4) . .
C19 C18 C1 116.0(4) . .
C17 C18 C1 112.5(4) . .
C36 C18 C1 101.3(4) . .
C30 C19 C20 119.8(5) . .
C30 C19 C18 123.4(4) . .
C20 C19 C18 111.2(5) . .
C21 C20 C19 120.5(5) . .
C21 C20 C16 122.1(5) . .
C19 C20 C16 107.5(5) . .
C20 C21 C32 120.4(5) . .
C20 C21 C22 119.4(5) . .
C32 C21 C22 107.2(5) . .
C14 C22 C23 120.6(5) . .
C14 C22 C21 119.2(5) . .
C23 C22 C21 108.6(5) . .
C11 C23 C22 121.1(5) . .
C11 C23 C24 119.6(6) . .
C22 C23 C24 107.5(5) . .
C25 C24 C32 119.6(5) . .
C25 C24 C23 119.8(5) . .
C32 C24 C23 108.3(5) . .
C24 C25 C9 119.5(5) . .
C24 C25 C26 120.5(5) . .
C9 C25 C26 107.7(5) . .
C27 C26 C25 120.1(5) . .
C27 C26 C7 118.2(5) . .
C25 C26 C7 108.1(5) . .
C26 C27 C28 121.5(5) . .
C26 C27 C31 118.8(5) . .
C28 C27 C31 107.3(5) . .
C27 C28 C5 119.6(5) . .
C27 C28 C29 109.9(5) . .
C5 C28 C29 120.5(5) . .
C2 C29 C28 119.5(5) . .
C2 C29 C30 121.2(5) . .
C28 C29 C30 106.8(5) . .
C19 C30 C31 119.8(5) . .
C19 C30 C29 118.6(5) . .
C31 C30 C29 106.9(5) . .
C32 C31 C30 120.4(5) . .
C32 C31 C27 120.1(5) . .
C30 C31 C27 109.1(4) . .
C31 C32 C21 118.8(5) . .
C31 C32 C24 121.0(5) . .
C21 C32 C24 108.3(5) . .
O41 C33 C34 101.5(4) . .
O41 C33 C42 109.1(4) . .
C34 C33 C42 128.1(4) . .
O41 C33 C1 101.5(4) . .
C34 C33 C1 108.6(4) . .
C42 C33 C1 105.1(4) . .
C40 C34 C35 120.0(5) . .
C40 C34 C33 136.6(5) . .
C35 C34 C33 103.4(4) . .
C37 C35 C34 120.9(5) . .
C37 C35 C36 133.2(5) . .
C34 C35 C36 106.0(4) . .
O41 C36 C35 100.9(4) . .
O41 C36 C18 101.5(4) . .
C35 C36 C18 108.1(4) . .
O41 C36 H36 114.9 . .
C35 C36 H36 114.9 . .
C18 C36 H36 114.9 . .
C35 C37 C38 118.8(5) . .
C35 C37 H37 120.6 . .
C38 C37 H37 120.6 . .
C37 C38 C39 120.7(5) . .
C37 C38 H38 119.7 . .
C39 C38 H38 119.7 . .
C40 C39 C38 119.7(5) . .
C40 C39 H39 120.2 . .
C38 C39 H39 120.2 . .
C34 C40 C39 119.9(5) . .
C34 C40 H40 120.1 . .
C39 C40 H40 120.1 . .
C36 O41 C33 97.0(3) . .
C33 C42 C33 105.4(6) 2_565 .
C33 C42 H42A 110.7 2_565 .
C33 C42 H42A 110.7 . .
C33 C42 H42B 110.7 2_565 .
C33 C42 H42B 110.7 . .
H42A C42 H42B 108.8 . .
C44 C43 C60 113.9(4) . .
C44 C43 C43 104.0(3) . 2_565
C60 C43 C43 120.4(3) . 2_565
C44 C43 C82 114.5(4) . .
C60 C43 C82 99.8(4) . .
C43 C43 C82 104.2(2) 2_565 .
C71 C44 C45 118.9(5) . .
C71 C44 C43 123.6(5) . .
C45 C44 C43 111.0(4) . .
C46 C45 C44 121.1(3) . .
C46 C45 C44 121.1(3) . 2_565
C44 C45 C44 108.9(6) . 2_565
C45 C46 C47 119.3(4) . .
C45 C46 C47 119.3(4) . 2_565
C47 C46 C47 110.5(6) . 2_565
C70 C47 C46 120.5(5) . .
C70 C47 C48 118.4(5) . .
C46 C47 C48 107.6(5) . .
C49 C48 C47 120.2(5) . .
C49 C48 C48 119.8(3) . 2_565
C47 C48 C48 107.2(3) . 2_565
C48 C49 C68 120.7(5) . .
C48 C49 C50 120.5(5) . .
C68 C49 C50 106.4(5) . .
C50 C50 C51 121.1(3) 2_565 .
C50 C50 C49 119.8(3) 2_565 .
C51 C50 C49 108.2(5) . .
C52 C51 C50 119.1(5) . .
C52 C51 C67 118.7(5) . .
C50 C51 C67 109.1(5) . .
C51 C52 C53 120.8(5) . .
C51 C52 C52 119.7(3) . 2_565
C53 C52 C52 107.4(3) . 2_565
C65 C53 C52 119.4(5) . .
C65 C53 C54 120.7(5) . .
C52 C53 C54 108.8(5) . .
C55 C54 C53 119.0(4) . 2_565
C55 C54 C53 119.0(4) . .
C53 C54 C53 107.5(7) 2_565 .
C54 C55 C56 118.9(4) . .
C54 C55 C56 118.9(4) . 2_565
C56 C55 C56 109.4(7) . 2_565
C64 C56 C57 120.6(5) . .
C64 C56 C55 121.7(5) . .
C57 C56 C55 107.2(5) . .
C58 C57 C56 121.0(5) . .
C58 C57 C57 117.1(3) . 2_565
C56 C57 C57 108.0(3) . 2_565
C57 C58 C59 124.5(5) . .
C57 C58 C62 118.0(5) . .
C59 C58 C62 108.4(5) . .
C59 C59 C58 118.3(3) 2_565 .
C59 C59 C60 125.5(3) 2_565 .
C58 C59 C60 110.1(4) . .
C61 C60 C59 99.0(4) . .
C61 C60 C75 111.3(4) . .
C59 C60 C75 118.2(4) . .
C61 C60 C43 115.2(4) . .
C59 C60 C43 113.1(4) . .
C75 C60 C43 100.8(4) . .
C72 C61 C62 118.6(5) . .
C72 C61 C60 124.5(5) . .
C62 C61 C60 112.3(5) . .
C63 C62 C61 121.4(5) . .
C63 C62 C58 120.4(5) . .
C61 C62 C58 106.3(5) . .
C62 C63 C74 119.0(5) . .
C62 C63 C64 119.7(5) . .
C74 C63 C64 108.1(5) . .
C56 C64 C63 120.1(5) . .
C56 C64 C65 119.4(5) . .
C63 C64 C65 107.7(5) . .
C53 C65 C66 120.5(5) . .
C53 C65 C64 120.2(5) . .
C66 C65 C64 107.2(5) . .
C67 C66 C74 120.2(5) . .
C67 C66 C65 119.5(5) . .
C74 C66 C65 107.8(5) . .
C66 C67 C51 121.0(5) . .
C66 C67 C68 120.8(5) . .
C51 C67 C68 106.9(5) . .
C69 C68 C67 119.5(5) . .
C69 C68 C49 118.2(5) . .
C67 C68 C49 109.2(5) . .
C68 C69 C70 121.7(5) . .
C68 C69 C73 120.6(5) . .
C70 C69 C73 106.3(5) . .
C47 C70 C69 120.7(5) . .
C47 C70 C71 119.8(5) . .
C69 C70 C71 109.1(5) . .
C44 C71 C70 120.2(5) . .
C44 C71 C72 120.8(5) . .
C70 C71 C72 108.0(4) . .
C61 C72 C73 121.3(5) . .
C61 C72 C71 119.0(5) . .
C73 C72 C71 107.8(5) . .
C74 C73 C72 120.4(5) . .
C74 C73 C69 118.0(5) . .
C72 C73 C69 108.7(5) . .
C73 C74 C66 120.9(5) . .
C73 C74 C63 119.2(5) . .
C66 C74 C63 109.2(5) . .
O83 C75 C76 103.4(4) . .
O83 C75 C60 101.7(4) . .
C76 C75 C60 108.7(4) . .
O83 C75 H75 114.0 . .
C76 C75 H75 114.0 . .
C60 C75 H75 114.0 . .
C77 C76 C81 121.4(5) . .
C77 C76 C75 135.0(5) . .
C81 C76 C75 103.4(4) . .
C76 C77 C78 116.9(5) . .
C76 C77 H77 121.5 . .
C78 C77 H77 121.5 . .
C79 C78 C77 122.3(5) . .
C79 C78 H78 118.9 . .
C77 C78 H78 118.9 . .
C78 C79 C80 120.8(5) . .
C78 C79 H79 119.6 . .
C80 C79 H79 119.6 . .
C79 C80 C81 117.8(5) . .
C79 C80 H80 121.1 . .
C81 C80 H80 121.1 . .
C80 C81 C76 120.6(5) . .
C80 C81 C82 133.9(5) . .
C76 C81 C82 105.2(5) . .
O83 C82 C81 101.7(4) . .
O83 C82 C84 110.2(4) . .
C81 C82 C84 126.9(5) . .
O83 C82 C43 101.2(4) . .
C81 C82 C43 108.1(4) . .
C84 C82 C43 105.9(4) . .
C75 O83 C82 95.3(3) . .
C82 C84 C82 104.6(6) 2_565 .
C82 C84 H84A 110.8 2_565 .
C82 C84 H84A 110.8 . .
C82 C84 H84B 110.8 2_565 .
C82 C84 H84B 110.8 . .
H84A C84 H84B 108.9 . .
C86 C85 C103 102.0(4) . .
C86 C85 C102 114.2(4) . .
C103 C85 C102 114.8(4) . .
C86 C85 C117 116.4(5) . .
C103 C85 C117 111.1(4) . .
C102 C85 C117 98.8(4) . .
C86 C86 C87 119.0(3) 2_565 .
C86 C86 C85 126.0(3) 2_565 .
C87 C86 C85 109.3(4) . .
C88 C87 C86 121.1(5) . .
C88 C87 C104 119.3(5) . .
C86 C87 C104 107.7(5) . .
C88 C88 C87 119.9(3) 2_565 .
C88 C88 C89 109.6(3) 2_565 .
C87 C88 C89 119.1(5) . .
C106 C89 C88 121.2(6) . .
C106 C89 C90 120.2(7) . .
C88 C89 C90 106.8(6) . .
C91 C90 C89 119.8(5) . 2_565
C91 C90 C89 119.8(5) . .
C89 C90 C89 107.2(8) 2_565 .
C92 C91 C92 110.9(9) . 2_565
C92 C91 C90 118.8(5) . .
C92 C91 C90 118.8(5) 2_565 .
C107 C92 C91 122.7(7) . .
C107 C92 C93 119.0(6) . .
C91 C92 C93 106.7(6) . .
C94 C93 C93 118.8(4) . 2_565
C94 C93 C92 122.1(6) . .
C93 C93 C92 107.8(3) 2_565 .
C93 C94 C95 121.7(6) . .
C93 C94 C109 118.1(7) . .
C95 C94 C109 106.6(6) . .
C95 C95 C94 119.4(4) 2_565 .
C95 C95 C96 120.2(4) 2_565 .
C94 C95 C96 109.6(6) . .
C97 C96 C110 120.2(6) . .
C97 C96 C95 119.8(6) . .
C110 C96 C95 107.3(6) . .
C96 C97 C98 120.1(6) . .
C96 C97 C97 120.0(4) . 2_565
C98 C97 C97 105.9(3) . 2_565
C112 C98 C99 119.7(6) . .
C112 C98 C97 119.8(6) . .
C99 C98 C97 110.4(6) . .
C100 C99 C98 119.5(5) . .
C100 C99 C98 119.5(5) . 2_565
C98 C99 C98 107.3(8) . 2_565
C99 C100 C101 120.5(4) . 2_565
C99 C100 C101 120.5(4) . .
C101 C100 C101 109.4(7) 2_565 .
C113 C101 C100 119.0(6) . .
C113 C101 C102 125.9(5) . .
C100 C101 C102 109.8(5) . .
C101 C102 C124 115.3(4) . .
C101 C102 C102 104.7(3) . 2_565
C124 C102 C102 103.5(3) . 2_565
C101 C102 C85 112.2(4) . .
C124 C102 C85 102.3(4) . .
C102 C102 C85 119.0(3) 2_565 .
C114 C103 C104 119.6(5) . .
C114 C103 C85 124.8(5) . .
C104 C103 C85 109.1(5) . .
C105 C104 C103 121.7(5) . .
C105 C104 C87 119.9(5) . .
C103 C104 C87 108.1(5) . .
C104 C105 C116 117.9(5) . .
C104 C105 C106 119.4(6) . .
C116 C105 C106 109.6(6) . .
C89 C106 C105 121.0(6) . .
C89 C106 C107 120.0(6) . .
C105 C106 C107 106.9(6) . .
C92 C107 C108 121.6(6) . .
C92 C107 C106 118.5(6) . .
C108 C107 C106 106.7(5) . .
C109 C108 C116 119.0(6) . .
C109 C108 C107 119.2(6) . .
C116 C108 C107 108.8(6) . .
C108 C109 C110 120.7(6) . .
C108 C109 C94 120.1(6) . .
C110 C109 C94 108.2(6) . .
C111 C110 C96 121.5(6) . .
C111 C110 C109 118.3(7) . .
C96 C110 C109 108.3(6) . .
C110 C111 C115 122.3(6) . .
C110 C111 C112 117.9(6) . .
C115 C111 C112 109.3(5) . .
C98 C112 C113 120.7(5) . .
C98 C112 C111 120.2(6) . .
C113 C112 C111 106.4(5) . .
C101 C113 C112 120.5(5) . .
C101 C113 C114 119.6(5) . .
C112 C113 C114 108.0(5) . .
C103 C114 C115 120.7(5) . .
C103 C114 C113 120.1(5) . .
C115 C114 C113 108.2(5) . .
C116 C115 C111 119.9(6) . .
C116 C115 C114 119.6(6) . .
C111 C115 C114 108.1(5) . .
C115 C116 C105 120.4(6) . .
C115 C116 C108 119.7(6) . .
C105 C116 C108 107.9(5) . .
O125 C117 C118 101.5(5) . .
O125 C117 C85 101.7(4) . .
C118 C117 C85 107.3(5) . .
O125 C117 H117 114.9 . .
C118 C117 H117 114.9 . .
C85 C117 H117 114.9 . .
C123 C118 C119 121.5(6) . .
C123 C118 C117 104.2(5) . .
C119 C118 C117 134.2(6) . .
C120 C119 C118 116.5(6) . .
C120 C119 H119 121.7 . .
C118 C119 H119 121.7 . .
C119 C120 C121 121.7(6) . .
C119 C120 H120 119.2 . .
C121 C120 H120 119.2 . .
C122 C121 C120 121.9(6) . .
C122 C121 H121 119.1 . .
C120 C121 H121 119.1 . .
C123 C122 C121 116.3(6) . .
C123 C122 H122 121.8 . .
C121 C122 H122 121.8 . .
C122 C123 C118 121.9(6) . .
C122 C123 C124 132.5(6) . .
C118 C123 C124 105.5(5) . .
O125 C124 C126 112.3(5) . .
O125 C124 C123 99.4(4) . .
C126 C124 C123 126.9(5) . .
O125 C124 C102 100.8(4) . .
C126 C124 C102 107.2(5) . .
C123 C124 C102 107.2(4) . .
C117 O125 C124 99.1(4) . .
C124 C126 C124 101.1(6) . 2_565
C124 C126 H126 111.6 . .
C124 C126 H126 111.6 2_565 .
C124 C126 H127 111.6 . .
C124 C126 H127 111.6 2_565 .
H126 C126 H127 109.4 . .
C128 C127 C144 112.1(5) . .
C128 C127 C127 104.9(4) . 2_575
C144 C127 C127 119.7(3) . 2_575
C128 C127 C159 114.6(5) . .
C144 C127 C159 101.7(5) . .
C127 C127 C159 103.9(3) 2_575 .
C155 C128 C129 120.5(7) . .
C155 C128 C127 125.3(6) . .
C129 C128 C127 109.4(6) . .
C130 C129 C128 120.0(5) . .
C130 C129 C128 120.0(5) . 2_575
C128 C129 C128 109.5(8) . 2_575
C129 C130 C131 119.3(5) . 2_575
C129 C130 C131 119.3(5) . .
C131 C130 C131 108.5(9) 2_575 .
C154 C131 C130 119.8(7) . .
C154 C131 C132 119.6(6) . .
C130 C131 C132 109.0(7) . .
C133 C132 C131 120.5(6) . .
C133 C132 C132 118.6(4) . 2_575
C131 C132 C132 106.7(4) . 2_575
C132 C133 C152 119.0(7) . .
C132 C133 C134 121.5(7) . .
C152 C133 C134 107.5(7) . .
C134 C134 C135 121.5(5) 2_575 .
C134 C134 C133 119.9(4) 2_575 .
C135 C134 C133 107.0(7) . .
C136 C135 C151 120.1(7) . .
C136 C135 C134 118.3(7) . .
C151 C135 C134 108.6(7) . .
C135 C136 C137 119.7(7) . .
C135 C136 C136 120.2(4) . 2_575
C137 C136 C136 107.3(4) . 2_575
C149 C137 C138 119.6(7) . .
C149 C137 C136 120.0(6) . .
C138 C137 C136 108.4(7) . .
C139 C138 C137 120.3(5) . 2_575
C139 C138 C137 120.3(5) . .
C137 C138 C137 108.6(9) 2_575 .
C138 C139 C140 120.0(5) . .
C138 C139 C140 120.0(5) . 2_575
C140 C139 C140 107.6(9) . 2_575
C148 C140 C141 121.2(7) . .
C148 C140 C139 118.8(7) . .
C141 C140 C139 107.0(6) . .
C142 C141 C141 119.2(4) . 2_575
C142 C141 C140 119.7(6) . .
C141 C141 C140 109.2(4) 2_575 .
C141 C142 C143 121.8(6) . .
C141 C142 C146 120.2(6) . .
C143 C142 C146 108.2(6) . .
C143 C143 C142 118.9(4) 2_575 .
C143 C143 C144 124.8(3) 2_575 .
C142 C143 C144 109.7(5) . .
C145 C144 C143 101.3(5) . .
C145 C144 C127 116.2(5) . .
C143 C144 C127 114.9(5) . .
C145 C144 C166 109.2(5) . .
C143 C144 C166 115.7(5) . .
C127 C144 C166 100.1(5) . .
C156 C145 C146 118.2(7) . .
C156 C145 C144 125.4(6) . .
C146 C145 C144 110.1(6) . .
C147 C146 C145 121.6(6) . .
C147 C146 C142 119.7(6) . .
C145 C146 C142 107.9(6) . .
C146 C147 C158 118.6(6) . .
C146 C147 C148 120.3(6) . .
C158 C147 C148 108.8(6) . .
C140 C148 C149 121.6(7) . .
C140 C148 C147 118.9(7) . .
C149 C148 C147 107.6(6) . .
C137 C149 C150 117.7(7) . .
C137 C149 C148 119.6(6) . .
C150 C149 C148 110.0(7) . .
C151 C150 C149 124.5(7) . .
C151 C150 C158 116.4(7) . .
C149 C150 C158 107.8(6) . .
C150 C151 C135 117.9(7) . .
C150 C151 C152 123.9(7) . .
C135 C151 C152 107.7(6) . .
C153 C152 C133 121.1(7) . .
C153 C152 C151 118.8(6) . .
C133 C152 C151 109.3(7) . .
C152 C153 C154 119.1(6) . .
C152 C153 C157 121.0(7) . .
C154 C153 C157 107.5(7) . .
C131 C154 C153 120.7(7) . .
C131 C154 C155 119.4(6) . .
C153 C154 C155 108.8(6) . .
C128 C155 C154 120.9(7) . .
C128 C155 C156 122.2(6) . .
C154 C155 C156 105.0(6) . .
C157 C156 C145 121.1(6) . .
C157 C156 C155 109.2(6) . .
C145 C156 C155 116.1(6) . .
C156 C157 C158 121.5(5) . .
C156 C157 C153 109.4(6) . .
C158 C157 C153 119.1(6) . .
C157 C158 C147 118.9(6) . .
C157 C158 C150 120.7(5) . .
C147 C158 C150 105.7(6) . .
O167 C159 C168 110.1(5) . .
O167 C159 C160 101.2(4) . .
C168 C159 C160 126.7(5) . .
O167 C159 C127 100.6(4) . .
C168 C159 C127 107.4(5) . .
C160 C159 C127 107.8(5) . .
C161 C160 C165 120.4(6) . .
C161 C160 C159 134.2(5) . .
C165 C160 C159 105.2(5) . .
C162 C161 C160 117.8(6) . .
C162 C161 H161 121.1 . .
C160 C161 H161 121.1 . .
C161 C162 C163 122.1(6) . .
C161 C162 H162 118.9 . .
C163 C162 H162 118.9 . .
C162 C163 C164 120.2(5) . .
C162 C163 H163 119.9 . .
C164 C163 H163 119.9 . .
C165 C164 C163 117.2(6) . .
C165 C164 H164 121.4 . .
C163 C164 H164 121.4 . .
C164 C165 C160 122.2(5) . .
C164 C165 C166 133.5(5) . .
C160 C165 C166 104.1(5) . .
O167 C166 C165 101.6(4) . .
O167 C166 C144 101.1(4) . .
C165 C166 C144 108.0(4) . .
O167 C166 H166 114.8 . .
C165 C166 H166 114.8 . .
C144 C166 H166 114.8 . .
C166 O167 C159 97.3(4) . .
C159 C168 C159 102.1(6) . 2_575
C159 C168 H168 111.4 . .
C159 C168 H168 111.4 2_575 .
C159 C168 H169 111.4 . .
C159 C168 H169 111.4 2_575 .
H168 C168 H169 109.2 . .
C170 C169 C189 121.2(5) . .
C170 C169 C200 120.4(5) . 2_575
C189 C169 C200 107.7(5) . 2_575
C169 C170 C170 120.3(3) . 2_575
C169 C170 C171 119.3(5) . .
C170 C170 C171 108.2(3) 2_575 .
C187 C171 C172 118.8(5) . .
C187 C171 C170 119.9(5) . .
C172 C171 C170 107.6(5) . .
C173 C172 C171 121.0(4) . 2_575
C173 C172 C171 121.0(4) . .
C171 C172 C171 108.2(7) 2_575 .
C172 C173 C174 121.1(4) . 2_575
C172 C173 C174 121.1(4) . .
C174 C173 C174 107.3(7) 2_575 .
C186 C174 C173 119.2(5) . .
C186 C174 C175 118.7(5) . .
C173 C174 C175 108.1(5) . .
C176 C175 C175 120.5(3) . 2_575
C176 C175 C174 119.7(5) . .
C175 C175 C174 108.1(3) 2_575 .
C175 C176 C184 120.5(5) . .
C175 C176 C177 120.3(5) . .
C184 C176 C177 108.1(5) . .
C177 C177 C176 119.2(3) 2_575 .
C177 C177 C178 126.6(3) 2_575 .
C176 C177 C178 108.0(4) . .
C183 C178 C177 102.1(4) . .
C183 C178 C179 116.5(4) . .
C177 C178 C179 112.8(4) . .
C183 C178 C208 111.1(4) . .
C177 C178 C208 115.4(4) . .
C179 C178 C208 99.5(4) . .
C180 C179 C201 115.0(4) . .
C180 C179 C178 112.5(4) . .
C201 C179 C178 102.1(4) . .
C180 C179 C179 103.6(3) . 2_575
C201 C179 C179 103.8(3) . 2_575
C178 C179 C179 120.0(3) . 2_575
C181 C180 C192 118.8(5) . .
C181 C180 C179 125.2(5) . .
C192 C180 C179 111.6(5) . .
C180 C181 C195 121.1(5) . 2_575
C180 C181 C182 119.2(5) . .
C195 C181 C182 106.9(4) 2_575 .
C183 C182 C191 119.0(5) . .
C183 C182 C181 120.3(4) . .
C191 C182 C181 107.5(5) . .
C182 C183 C184 120.8(5) . .
C182 C183 C178 123.0(5) . .
C184 C183 C178 109.5(5) . .
C185 C184 C183 120.0(5) . .
C185 C184 C176 121.7(5) . .
C183 C184 C176 109.2(4) . .
C184 C185 C190 120.1(5) . .
C184 C185 C186 117.6(5) . .
C190 C185 C186 109.2(5) . .
C174 C186 C185 121.8(5) . .
C174 C186 C187 119.8(5) . .
C185 C186 C187 106.7(5) . .
C171 C187 C188 119.7(6) . .
C171 C187 C186 119.9(5) . .
C188 C187 C186 108.9(5) . .
C189 C188 C187 119.8(5) . .
C189 C188 C190 120.4(5) . .
C187 C188 C190 107.4(5) . .
C188 C189 C169 120.1(6) . .
C188 C189 C197 119.0(5) . 2_575
C169 C189 C197 108.1(5) . 2_575
C191 C190 C185 119.6(5) . .
C191 C190 C188 118.7(5) . .
C185 C190 C188 107.8(5) . .
C190 C191 C196 122.4(5) . 2_575
C190 C191 C182 120.1(5) . .
C196 C191 C182 107.8(5) 2_575 .
C193 C192 C180 121.6(4) . .
C193 C192 C180 121.6(4) . 2_575
C180 C192 C180 108.2(7) . 2_575
C192 C193 C194 119.9(4) . 2_575
C192 C193 C194 119.9(4) . .
C194 C193 C194 106.4(6) 2_575 .
C195 C194 C199 121.8(5) . .
C195 C194 C193 117.3(5) . .
C199 C194 C193 108.2(5) . .
C194 C195 C181 121.3(5) . 2_575
C194 C195 C196 119.2(5) . .
C181 C195 C196 107.9(5) 2_575 .
C197 C196 C191 119.2(5) . 2_575
C197 C196 C195 118.9(5) . .
C191 C196 C195 109.8(5) 2_575 .
C196 C197 C198 121.1(5) . .
C196 C197 C189 120.3(5) . 2_575
C198 C197 C189 107.4(5) . 2_575
C199 C198 C200 119.6(5) . .
C199 C198 C197 119.9(5) . .
C200 C198 C197 108.6(5) . .
C198 C199 C194 119.1(5) . .
C198 C199 C199 120.0(3) . 2_575
C194 C199 C199 108.6(3) . 2_575
C200 C200 C198 120.4(3) 2_575 .
C200 C200 C169 119.3(3) 2_575 2_575
C198 C200 C169 108.1(5) . 2_575
O209 C201 C210 109.9(5) . .
O209 C201 C202 99.8(4) . .
C210 C201 C202 125.9(5) . .
O209 C201 C179 101.7(4) . .
C210 C201 C179 108.0(5) . .
C202 C201 C179 108.7(4) . .
C203 C202 C207 121.8(5) . .
C203 C202 C201 133.8(5) . .
C207 C202 C201 104.2(5) . .
C202 C203 C204 118.1(5) . .
C202 C203 H203 120.9 . .
C204 C203 H203 120.9 . .
C203 C204 C205 121.1(5) . .
C203 C204 H204 119.5 . .
C205 C204 H204 119.5 . .
C204 C205 C206 119.3(5) . .
C204 C205 H205 120.4 . .
C206 C205 H205 120.4 . .
C207 C206 C205 119.0(5) . .
C207 C206 H206 120.5 . .
C205 C206 H206 120.5 . .
C206 C207 C202 120.6(5) . .
C206 C207 C208 134.0(5) . .
C202 C207 C208 105.4(4) . .
O209 C208 C207 100.4(4) . .
O209 C208 C178 101.8(4) . .
C207 C208 C178 106.9(4) . .
O209 C208 H208 115.3 . .
C207 C208 H208 115.3 . .
C178 C208 H208 115.3 . .
C208 O209 C201 98.1(4) . .
C201 C210 C201 101.3(6) 2_575 .
C201 C210 H210 111.5 2_575 .
C201 C210 H210 111.5 . .
C201 C210 H211 111.5 2_575 .
C201 C210 H211 111.5 . .
H210 C210 H211 109.3 . .
Cl2 C211 Cl3 108.2(10) . .
Cl2 C211 Cl1 120.5(11) . .
Cl3 C211 Cl1 110.4(9) . .
Cl2 C211 H212 105.6 . .
Cl3 C211 H212 105.6 . .
Cl1 C211 H212 105.5 . .
Cl2' C212 Cl3' 116.4(8) . .
Cl2' C212 Cl1' 108.4(7) . .
Cl3' C212 Cl1' 102.3(6) . .
Cl2' C212 H213 109.8 . .
Cl3' C212 H213 109.8 . .
Cl1' C212 H213 109.8 . .
Cl6 C213 Cl5 122.2(9) . .
Cl6 C213 Cl4 121.1(9) . .
Cl5 C213 Cl4 115.8(8) . .
Cl6 C213 H214 93.2 . .
Cl5 C213 H214 93.2 . .
Cl4 C213 H214 93.2 . .
Cl4' C214 Cl6' 112.8(15) . .
Cl4' C214 Cl5' 109.0(14) . .
Cl6' C214 Cl5' 106.3(14) . .
Cl4' C214 H215 109.6 . .
Cl6' C214 H215 109.5 . .
Cl5' C214 H215 109.6 . .
Cl9 C215 Cl7 111.1(6) . .
Cl9 C215 Cl8 110.4(6) . .
Cl7 C215 Cl8 108.4(6) . .
Cl9 C215 H216 109.0 . .
Cl7 C215 H216 109.0 . .
Cl8 C215 H216 109.0 . .
Cl7' C216 Cl9' 114.4(8) . .
Cl7' C216 Cl8' 107.4(7) . .
Cl9' C216 Cl8' 107.1(7) . .
Cl7' C216 H217 109.3 . .
Cl9' C216 H217 109.3 . .
Cl8' C216 H217 109.3 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 C2 1.516(7) .
C1 C1 1.575(9) 2_565
C1 C18 1.580(7) .
C1 C33 1.605(7) .
C2 C29 1.394(7) .
C2 C3 1.409(7) .
C3 C4 1.399(10) .
C3 C2 1.409(7) 2_565
C4 C5 1.430(7) 2_565
C4 C5 1.430(7) .
C5 C28 1.424(7) .
C5 C6 1.440(7) .
C6 C7 1.400(7) .
C6 C6 1.417(10) 2_565
C7 C8 1.427(7) .
C7 C26 1.457(7) .
C8 C8 1.395(10) 2_565
C8 C9 1.469(7) .
C9 C10 1.380(7) .
C9 C25 1.434(7) .
C10 C10 1.440(11) 2_565
C10 C11 1.446(8) .
C11 C23 1.380(8) .
C11 C12 1.493(8) .
C12 C13 1.358(11) .
C12 C11 1.493(8) 2_565
C13 C14 1.440(7) .
C13 C14 1.440(7) 2_565
C14 C22 1.403(7) .
C14 C15 1.440(7) .
C15 C16 1.374(7) .
C15 C15 1.473(10) 2_565
C16 C20 1.443(7) .
C16 C17 1.448(7) .
C17 C17 1.341(10) 2_565
C17 C18 1.558(7) .
C18 C19 1.525(7) .
C18 C36 1.573(7) .
C19 C30 1.382(7) .
C19 C20 1.432(7) .
C20 C21 1.362(8) .
C21 C32 1.447(7) .
C21 C22 1.470(7) .
C22 C23 1.445(8) .
C23 C24 1.457(7) .
C24 C25 1.385(7) .
C24 C32 1.453(8) .
C25 C26 1.455(7) .
C26 C27 1.418(8) .
C27 C28 1.421(7) .
C27 C31 1.462(7) .
C28 C29 1.442(7) .
C29 C30 1.488(7) .
C30 C31 1.433(7) .
C31 C32 1.387(7) .
C33 O41 1.446(6) .
C33 C34 1.491(7) .
C33 C42 1.504(6) .
C34 C40 1.378(7) .
C34 C35 1.403(7) .
C35 C37 1.374(7) .
C35 C36 1.491(7) .
C36 O41 1.436(5) .
C36 H36 1.0000 .
C37 C38 1.391(7) .
C37 H37 0.9500 .
C38 C39 1.403(7) .
C38 H38 0.9500 .
C39 C40 1.385(7) .
C39 H39 0.9500 .
C40 H40 0.9500 .
C42 C33 1.504(6) 2_565
C42 H42A 0.9900 .
C42 H42B 0.9900 .
C43 C44 1.512(7) .
C43 C60 1.578(7) .
C43 C43 1.596(9) 2_565
C43 C82 1.597(7) .
C44 C71 1.379(6) .
C44 C45 1.432(6) .
C45 C46 1.400(9) .
C45 C44 1.432(6) 2_565
C46 C47 1.421(6) .
C46 C47 1.421(6) 2_565
C47 C70 1.375(7) .
C47 C48 1.470(6) .
C48 C49 1.374(7) .
C48 C48 1.467(10) 2_565
C49 C68 1.471(7) .
C49 C50 1.473(7) .
C50 C50 1.369(10) 2_565
C50 C51 1.450(8) .
C51 C52 1.393(8) .
C51 C67 1.456(7) .
C52 C53 1.448(8) .
C52 C52 1.489(10) 2_565
C53 C65 1.378(7) .
C53 C54 1.461(7) .
C54 C55 1.414(10) .
C54 C53 1.461(7) 2_565
C55 C56 1.460(6) .
C55 C56 1.460(6) 2_565
C56 C64 1.364(7) .
C56 C57 1.456(7) .
C57 C58 1.392(7) .
C57 C57 1.484(10) 2_565
C58 C59 1.432(7) .
C58 C62 1.460(7) .
C59 C59 1.396(10) 2_565
C59 C60 1.548(7) .
C60 C61 1.499(7) .
C60 C75 1.553(7) .
C61 C72 1.364(7) .
C61 C62 1.439(7) .
C62 C63 1.413(7) .
C63 C74 1.436(8) .
C63 C64 1.445(7) .
C64 C65 1.464(7) .
C65 C66 1.461(7) .
C66 C67 1.372(8) .
C66 C74 1.430(7) .
C67 C68 1.461(7) .
C68 C69 1.359(7) .
C69 C70 1.449(7) .
C69 C73 1.492(8) .
C70 C71 1.459(7) .
C71 C72 1.462(7) .
C72 C73 1.442(7) .
C73 C74 1.397(7) .
C75 O83 1.431(6) .
C75 C76 1.517(7) .
C75 H75 1.0000 .
C76 C77 1.380(7) .
C76 C81 1.402(7) .
C77 C78 1.394(7) .
C77 H77 0.9500 .
C78 C79 1.374(7) .
C78 H78 0.9500 .
C79 C80 1.391(7) .
C79 H79 0.9500 .
C80 C81 1.391(7) .
C80 H80 0.9500 .
C81 C82 1.485(7) .
C82 O83 1.471(6) .
C82 C84 1.505(6) .
C84 C82 1.505(6) 2_565
C84 H84A 0.9900 .
C84 H84B 0.9900 .
C85 C86 1.497(7) .
C85 C103 1.520(7) .
C85 C102 1.601(7) .
C85 C117 1.603(7) .
C86 C86 1.388(10) 2_565
C86 C87 1.443(7) .
C87 C88 1.413(7) .
C87 C104 1.462(7) .
C88 C88 1.380(10) 2_565
C88 C89 1.450(9) .
C89 C106 1.380(9) .
C89 C90 1.462(8) .
C90 C91 1.423(13) .
C90 C89 1.462(8) 2_565
C91 C92 1.418(8) .
C91 C92 1.418(8) 2_565
C92 C107 1.391(8) .
C92 C93 1.453(9) .
C93 C94 1.389(9) .
C93 C93 1.449(11) 2_565
C94 C95 1.418(9) .
C94 C109 1.482(9) .
C95 C95 1.394(12) 2_565
C95 C96 1.471(8) .
C96 C97 1.373(8) .
C96 C110 1.433(9) .
C97 C98 1.443(8) .
C97 C97 1.502(12) 2_565
C98 C112 1.382(8) .
C98 C99 1.424(7) .
C99 C100 1.418(11) .
C99 C98 1.424(7) 2_565
C100 C101 1.448(7) 2_565
C100 C101 1.448(7) .
C101 C113 1.367(7) .
C101 C102 1.510(8) .
C102 C124 1.579(7) .
C102 C102 1.596(10) 2_565
C103 C114 1.354(7) .
C103 C104 1.429(7) .
C104 C105 1.426(8) .
C105 C116 1.423(8) .
C105 C106 1.425(8) .
C106 C107 1.481(9) .
C107 C108 1.438(8) .
C108 C109 1.419(9) .
C108 C116 1.435(8) .
C109 C110 1.447(9) .
C110 C111 1.378(9) .
C111 C115 1.416(8) .
C111 C112 1.477(8) .
C112 C113 1.457(8) .
C113 C114 1.456(7) .
C114 C115 1.454(8) .
C115 C116 1.409(8) .
C117 O125 1.417(6) .
C117 C118 1.550(8) .
C117 H117 1.0000 .
C118 C123 1.389(8) .
C118 C119 1.401(7) .
C119 C120 1.367(8) .
C119 H119 0.9500 .
C120 C121 1.399(9) .
C120 H120 0.9500 .
C121 C122 1.390(8) .
C121 H121 0.9500 .
C122 C123 1.375(8) .
C122 H122 0.9500 .
C123 C124 1.542(8) .
C124 O125 1.453(7) .
C124 C126 1.509(7) .
C126 C124 1.509(7) 2_565
C126 H126 0.9900 .
C126 H127 0.9900 .
C127 C128 1.530(9) .
C127 C144 1.569(8) .
C127 C127 1.569(13) 2_575
C127 C159 1.612(9) .
C128 C155 1.337(9) .
C128 C129 1.442(8) .
C129 C130 1.421(12) .
C129 C128 1.442(8) 2_575
C130 C131 1.428(9) 2_575
C130 C131 1.428(9) .
C131 C154 1.403(9) .
C131 C132 1.436(9) .
C132 C133 1.410(10) .
C132 C132 1.493(13) 2_575
C133 C152 1.432(10) .
C133 C134 1.461(10) .
C134 C134 1.384(14) 2_575
C134 C135 1.453(10) .
C135 C136 1.416(10) .
C135 C151 1.434(10) .
C136 C137 1.452(9) .
C136 C136 1.480(14) 2_575
C137 C149 1.402(9) .
C137 C138 1.443(9) .
C138 C139 1.375(13) .
C138 C137 1.443(9) 2_575
C139 C140 1.478(9) .
C139 C140 1.478(9) 2_575
C140 C148 1.366(9) .
C140 C141 1.456(9) .
C141 C142 1.378(9) .
C141 C141 1.426(13) 2_575
C142 C143 1.441(9) .
C142 C146 1.455(9) .
C143 C143 1.378(12) 2_575
C143 C144 1.529(8) .
C144 C145 1.511(9) .
C144 C166 1.606(8) .
C145 C156 1.392(9) .
C145 C146 1.446(9) .
C146 C147 1.383(9) .
C147 C158 1.450(9) .
C147 C148 1.476(9) .
C148 C149 1.434(10) .
C149 C150 1.422(9) .
C150 C151 1.376(9) .
C150 C158 1.518(10) .
C151 C152 1.434(10) .
C152 C153 1.409(10) .
C153 C154 1.432(9) .
C153 C157 1.449(9) .
C154 C155 1.465(9) .
C155 C156 1.486(9) .
C156 C157 1.384(10) .
C157 C158 1.400(6) .
C159 O167 1.457(6) .
C159 C168 1.508(7) .
C159 C160 1.510(8) .
C160 C161 1.398(8) .
C160 C165 1.402(7) .
C161 C162 1.376(8) .
C161 H161 0.9500 .
C162 C163 1.404(9) .
C162 H162 0.9500 .
C163 C164 1.410(8) .
C163 H163 0.9500 .
C164 C165 1.383(8) .
C164 H164 0.9500 .
C165 C166 1.541(7) .
C166 O167 1.442(6) .
C166 H166 1.0000 .
C168 C159 1.508(7) 2_575
C168 H168 0.9900 .
C168 H169 0.9900 .
C169 C170 1.388(8) .
C169 C189 1.428(7) .
C169 C200 1.465(8) 2_575
C170 C170 1.433(10) 2_575
C170 C171 1.452(8) .
C171 C187 1.395(7) .
C171 C172 1.444(7) .
C172 C173 1.366(11) .
C172 C171 1.444(7) 2_575
C173 C174 1.432(7) 2_575
C173 C174 1.432(7) .
C174 C186 1.395(7) .
C174 C175 1.464(7) .
C175 C176 1.379(7) .
C175 C175 1.396(10) 2_575
C176 C184 1.444(7) .
C176 C177 1.470(7) .
C177 C177 1.363(10) 2_575
C177 C178 1.532(7) .
C178 C183 1.518(7) .
C178 C179 1.591(7) .
C178 C208 1.591(7) .
C179 C180 1.529(7) .
C179 C201 1.564(7) .
C179 C179 1.598(9) 2_575
C180 C181 1.375(7) .
C180 C192 1.431(6) .
C181 C195 1.437(7) 2_575
C181 C182 1.487(7) .
C182 C183 1.380(7) .
C182 C191 1.456(7) .
C183 C184 1.434(7) .
C184 C185 1.379(7) .
C185 C190 1.442(8) .
C185 C186 1.461(7) .
C186 C187 1.461(7) .
C187 C188 1.455(8) .
C188 C189 1.387(8) .
C188 C190 1.469(7) .
C189 C197 1.471(8) 2_575
C190 C191 1.390(7) .
C191 C196 1.411(8) 2_575
C192 C193 1.389(10) .
C192 C180 1.431(6) 2_575
C193 C194 1.471(6) 2_575
C193 C194 1.471(7) .
C194 C195 1.399(7) .
C194 C199 1.431(7) .
C195 C181 1.437(7) 2_575
C195 C196 1.454(7) .
C196 C197 1.408(7) .
C196 C191 1.411(8) 2_575
C197 C198 1.437(7) .
C197 C189 1.471(8) 2_575
C198 C199 1.404(7) .
C198 C200 1.433(7) .
C199 C199 1.443(10) 2_575
C200 C200 1.399(11) 2_575
C200 C169 1.465(8) 2_575
C201 O209 1.449(6) .
C201 C210 1.516(7) .
C201 C202 1.528(7) .
C202 C203 1.366(7) .
C202 C207 1.396(7) .
C203 C204 1.391(7) .
C203 H203 0.9500 .
C204 C205 1.400(8) .
C204 H204 0.9500 .
C205 C206 1.411(7) .
C205 H205 0.9500 .
C206 C207 1.362(7) .
C206 H206 0.9500 .
C207 C208 1.537(7) .
C208 O209 1.440(6) .
C208 H208 1.0000 .
C210 C201 1.516(7) 2_575
C210 H210 0.9900 .
C210 H211 0.9900 .
C211 Cl2 1.702(16) .
C211 Cl3 1.720(15) .
C211 Cl1 1.753(14) .
C211 H212 1.0000 .
C212 Cl2' 1.747(12) .
C212 Cl3' 1.760(12) .
C212 Cl1' 1.816(12) .
C212 H213 1.0000 .
C213 Cl6 1.633(14) .
C213 Cl5 1.720(14) .
C213 Cl4 1.729(14) .
C213 H214 1.0000 .
C214 Cl4' 1.698(19) .
C214 Cl6' 1.747(19) .
C214 Cl5' 1.742(19) .
C214 H215 1.0000 .
C215 Cl9 1.711(10) .
C215 Cl7 1.758(11) .
C215 Cl8 1.772(10) .
C215 H216 1.0000 .
C216 Cl7' 1.714(12) .
C216 Cl9' 1.714(12) .
C216 Cl8' 1.810(12) .
C216 H217 1.0000 .
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
C1 C1 C2 C29 -147.8(4) 2_565 .
C18 C1 C2 C29 -14.8(7) . .
C33 C1 C2 C29 98.8(5) . .
C1 C1 C2 C3 6.0(4) 2_565 .
C18 C1 C2 C3 139.1(5) . .
C33 C1 C2 C3 -107.3(5) . .
C29 C2 C3 C4 -2.8(8) . .
C1 C2 C3 C4 -157.5(5) . .
C29 C2 C3 C2 144.6(4) . 2_565
C1 C2 C3 C2 -10.1(8) . 2_565
C2 C3 C4 C5 141.5(5) . 2_565
C2 C3 C4 C5 -2.0(9) 2_565 2_565
C2 C3 C4 C5 2.0(9) . .
C2 C3 C4 C5 -141.5(5) 2_565 .
C3 C4 C5 C28 1.0(8) . .
C5 C4 C5 C28 -143.0(4) 2_565 .
C3 C4 C5 C6 141.3(6) . .
C5 C4 C5 C6 -2.8(7) 2_565 .
C28 C5 C6 C7 -1.1(8) . .
C4 C5 C6 C7 -140.5(5) . .
C28 C5 C6 C6 141.1(4) . 2_565
C4 C5 C6 C6 1.7(5) . 2_565
C6 C6 C7 C8 0.9(6) 2_565 .
C5 C6 C7 C8 138.7(5) . .
C6 C6 C7 C26 -139.5(4) 2_565 .
C5 C6 C7 C26 -1.7(8) . .
C6 C7 C8 C8 -0.9(6) . 2_565
C26 C7 C8 C8 144.0(3) . 2_565
C6 C7 C8 C9 -143.0(5) . .
C26 C7 C8 C9 1.9(6) . .
C8 C8 C9 C10 1.1(6) 2_565 .
C7 C8 C9 C10 143.1(5) . .
C8 C8 C9 C25 -143.2(3) 2_565 .
C7 C8 C9 C25 -1.3(6) . .
C25 C9 C10 C10 138.3(4) . 2_565
C8 C9 C10 C10 -1.1(6) . 2_565
C25 C9 C10 C11 -0.9(8) . .
C8 C9 C10 C11 -140.3(5) . .
C9 C10 C11 C23 2.4(8) . .
C10 C10 C11 C23 -141.3(5) 2_565 .
C9 C10 C11 C12 142.8(6) . .
C10 C10 C11 C12 -0.9(5) 2_565 .
C23 C11 C12 C13 2.2(9) . .
C10 C11 C12 C13 -139.6(6) . .
C23 C11 C12 C11 143.2(4) . 2_565
C10 C11 C12 C11 1.4(8) . 2_565
C11 C12 C13 C14 -137.7(5) 2_565 .
C11 C12 C13 C14 -2.7(10) . .
C11 C12 C13 C14 2.7(10) 2_565 2_565
C11 C12 C13 C14 137.7(5) . 2_565
C12 C13 C14 C22 2.1(9) . .
C14 C13 C14 C22 -143.2(4) 2_565 .
C12 C13 C14 C15 142.9(6) . .
C14 C13 C14 C15 -2.3(8) 2_565 .
C22 C14 C15 C16 1.9(8) . .
C13 C14 C15 C16 -138.9(5) . .
C22 C14 C15 C15 142.2(4) . 2_565
C13 C14 C15 C15 1.4(5) . 2_565
C14 C15 C16 C20 -3.5(7) . .
C15 C15 C16 C20 -139.8(4) 2_565 .
C14 C15 C16 C17 140.2(5) . .
C15 C15 C16 C17 3.8(6) 2_565 .
C15 C16 C17 C17 -3.9(6) . 2_565
C20 C16 C17 C17 142.4(3) . 2_565
C15 C16 C17 C18 -157.1(5) . .
C20 C16 C17 C18 -10.9(6) . .
C17 C17 C18 C19 -134.7(3) 2_565 .
C16 C17 C18 C19 16.2(5) . .
C17 C17 C18 C36 105.5(4) 2_565 .
C16 C17 C18 C36 -103.6(5) . .
C17 C17 C18 C1 -10.8(6) 2_565 .
C16 C17 C18 C1 140.1(5) . .
C2 C1 C18 C19 0.3(6) . .
C1 C1 C18 C19 124.8(3) 2_565 .
C33 C1 C18 C19 -121.6(4) . .
C2 C1 C18 C17 -114.4(5) . .
C1 C1 C18 C17 10.1(5) 2_565 .
C33 C1 C18 C17 123.6(4) . .
C2 C1 C18 C36 120.6(4) . .
C1 C1 C18 C36 -114.9(3) 2_565 .
C33 C1 C18 C36 -1.3(5) . .
C17 C18 C19 C30 136.6(5) . .
C36 C18 C19 C30 -99.8(6) . .
C1 C18 C19 C30 15.2(7) . .
C17 C18 C19 C20 -16.7(6) . .
C36 C18 C19 C20 106.9(5) . .
C1 C18 C19 C20 -138.1(5) . .
C30 C19 C20 C21 3.2(8) . .
C18 C19 C20 C21 157.6(5) . .
C30 C19 C20 C16 -143.2(5) . .
C18 C19 C20 C16 11.2(6) . .
C15 C16 C20 C21 2.4(8) . .
C17 C16 C20 C21 -145.7(5) . .
C15 C16 C20 C19 148.1(5) . .
C17 C16 C20 C19 0.1(6) . .
C19 C20 C21 C32 -4.7(8) . .
C16 C20 C21 C32 136.8(5) . .
C19 C20 C21 C22 -141.2(5) . .
C16 C20 C21 C22 0.3(8) . .
C13 C14 C22 C23 -0.9(7) . .
C15 C14 C22 C23 -138.0(5) . .
C13 C14 C22 C21 138.0(5) . .
C15 C14 C22 C21 0.9(8) . .
C20 C21 C22 C14 -1.9(8) . .
C32 C21 C22 C14 -143.5(5) . .
C20 C21 C22 C23 141.4(5) . .
C32 C21 C22 C23 -0.2(6) . .
C10 C11 C23 C22 136.0(6) . .
C12 C11 C23 C22 -1.1(8) . .
C10 C11 C23 C24 -2.3(8) . .
C12 C11 C23 C24 -139.4(6) . .
C14 C22 C23 C11 0.5(8) . .
C21 C22 C23 C11 -142.3(5) . .
C14 C22 C23 C24 143.2(5) . .
C21 C22 C23 C24 0.4(6) . .
C11 C23 C24 C25 0.7(8) . .
C22 C23 C24 C25 -142.6(5) . .
C11 C23 C24 C32 142.8(5) . .
C22 C23 C24 C32 -0.5(6) . .
C32 C24 C25 C9 -137.1(5) . .
C23 C24 C25 C9 0.8(8) . .
C32 C24 C25 C26 0.5(8) . .
C23 C24 C25 C26 138.4(5) . .
C10 C9 C25 C24 -0.7(8) . .
C8 C9 C25 C24 142.6(5) . .
C10 C9 C25 C26 -143.1(5) . .
C8 C9 C25 C26 0.2(6) . .
C24 C25 C26 C27 -1.2(8) . .
C9 C25 C26 C27 140.7(5) . .
C24 C25 C26 C7 -141.0(5) . .
C9 C25 C26 C7 1.0(6) . .
C6 C7 C26 C27 2.4(8) . .
C8 C7 C26 C27 -142.4(5) . .
C6 C7 C26 C25 143.0(5) . .
C8 C7 C26 C25 -1.8(6) . .
C25 C26 C27 C28 -136.1(5) . .
C7 C26 C27 C28 -0.3(8) . .
C25 C26 C27 C31 1.1(8) . .
C7 C26 C27 C31 136.9(5) . .
C26 C27 C28 C5 -2.4(8) . .
C31 C27 C28 C5 -143.9(5) . .
C26 C27 C28 C29 143.2(5) . .
C31 C27 C28 C29 1.7(6) . .
C4 C5 C28 C27 138.6(5) . .
C6 C5 C28 C27 3.2(8) . .
C4 C5 C28 C29 -3.3(7) . .
C6 C5 C28 C29 -138.8(5) . .
C3 C2 C29 C28 0.5(7) . .
C1 C2 C29 C28 152.1(5) . .
C3 C2 C29 C30 -136.6(5) . .
C1 C2 C29 C30 15.1(7) . .
C27 C28 C29 C2 -142.6(5) . .
C5 C28 C29 C2 2.6(7) . .
C27 C28 C29 C30 -0.1(6) . .
C5 C28 C29 C30 145.1(5) . .
C20 C19 C30 C31 1.0(7) . .
C18 C19 C30 C31 -150.2(5) . .
C20 C19 C30 C29 134.9(5) . .
C18 C19 C30 C29 -16.3(8) . .
C2 C29 C30 C19 1.0(8) . .
C28 C29 C30 C19 -140.8(5) . .
C2 C29 C30 C31 140.2(5) . .
C28 C29 C30 C31 -1.6(6) . .
C19 C30 C31 C32 -3.7(8) . .
C29 C30 C31 C32 -142.3(5) . .
C19 C30 C31 C27 141.3(5) . .
C29 C30 C31 C27 2.6(6) . .
C26 C27 C31 C32 -0.3(8) . .
C28 C27 C31 C32 142.4(5) . .
C26 C27 C31 C30 -145.4(5) . .
C28 C27 C31 C30 -2.7(6) . .
C30 C31 C32 C21 2.2(8) . .
C27 C31 C32 C21 -138.9(5) . .
C30 C31 C32 C24 140.7(5) . .
C27 C31 C32 C24 -0.4(8) . .
C20 C21 C32 C31 2.0(8) . .
C22 C21 C32 C31 143.1(5) . .
C20 C21 C32 C24 -141.3(5) . .
C22 C21 C32 C24 -0.2(6) . .
C25 C24 C32 C31 0.3(8) . .
C23 C24 C32 C31 -141.8(5) . .
C25 C24 C32 C21 142.6(5) . .
C23 C24 C32 C21 0.4(6) . .
C2 C1 C33 O41 -156.2(4) . .
C1 C1 C33 O41 91.1(3) 2_565 .
C18 C1 C33 O41 -34.2(4) . .
C2 C1 C33 C34 -49.8(5) . .
C1 C1 C33 C34 -162.5(3) 2_565 .
C18 C1 C33 C34 72.3(5) . .
C2 C1 C33 C42 90.2(5) . .
C1 C1 C33 C42 -22.5(4) 2_565 .
C18 C1 C33 C42 -147.8(4) . .
O41 C33 C34 C40 -148.4(6) . .
C42 C33 C34 C40 -22.7(11) . .
C1 C33 C34 C40 105.2(7) . .
O41 C33 C34 C35 34.2(5) . .
C42 C33 C34 C35 159.8(6) . .
C1 C33 C34 C35 -72.3(5) . .
C40 C34 C35 C37 -0.2(8) . .
C33 C34 C35 C37 177.8(5) . .
C40 C34 C35 C36 -179.8(5) . .
C33 C34 C35 C36 -1.8(6) . .
C37 C35 C36 O41 149.1(6) . .
C34 C35 C36 O41 -31.3(5) . .
C37 C35 C36 C18 -104.9(7) . .
C34 C35 C36 C18 74.7(5) . .
C19 C18 C36 O41 160.6(4) . .
C17 C18 C36 O41 -85.6(5) . .
C1 C18 C36 O41 36.7(4) . .
C19 C18 C36 C35 55.0(5) . .
C17 C18 C36 C35 168.8(4) . .
C1 C18 C36 C35 -68.9(5) . .
C34 C35 C37 C38 0.9(8) . .
C36 C35 C37 C38 -179.7(6) . .
C35 C37 C38 C39 -1.0(8) . .
C37 C38 C39 C40 0.5(8) . .
C35 C34 C40 C39 -0.4(8) . .
C33 C34 C40 C39 -177.5(6) . .
C38 C39 C40 C34 0.2(8) . .
C35 C36 O41 C33 51.3(4) . .
C18 C36 O41 C33 -59.9(4) . .
C34 C33 O41 C36 -53.1(4) . .
C42 C33 O41 C36 169.5(4) . .
C1 C33 O41 C36 58.8(4) . .
O41 C33 C42 C33 -70.5(6) . 2_565
C34 C33 C42 C33 166.9(4) . 2_565
C1 C33 C42 C33 37.7(7) . 2_565
C60 C43 C44 C71 -12.4(7) . .
C43 C43 C44 C71 -145.4(4) 2_565 .
C82 C43 C44 C71 101.5(6) . .
C60 C43 C44 C45 138.9(5) . .
C43 C43 C44 C45 5.9(4) 2_565 .
C82 C43 C44 C45 -107.1(5) . .
C71 C44 C45 C46 -4.6(9) . .
C43 C44 C45 C46 -157.5(6) . .
C71 C44 C45 C44 142.9(4) . 2_565
C43 C44 C45 C44 -10.0(7) . 2_565
C44 C45 C46 C47 1.4(10) . .
C44 C45 C46 C47 -142.2(6) 2_565 .
C44 C45 C46 C47 142.2(6) . 2_565
C44 C45 C46 C47 -1.4(10) 2_565 2_565
C45 C46 C47 C70 3.0(9) . .
C47 C46 C47 C70 -141.0(5) 2_565 .
C45 C46 C47 C48 143.0(6) . .
C47 C46 C47 C48 -1.0(8) 2_565 .
C70 C47 C48 C49 0.2(8) . .
C46 C47 C48 C49 -140.8(6) . .
C70 C47 C48 C48 141.6(4) . 2_565
C46 C47 C48 C48 0.6(5) . 2_565
C47 C48 C49 C68 -1.3(8) . .
C48 C48 C49 C68 -138.0(4) 2_565 .
C47 C48 C49 C50 135.7(5) . .
C48 C48 C49 C50 -1.0(6) 2_565 .
C48 C49 C50 C50 1.0(6) . 2_565
C68 C49 C50 C50 143.3(3) . 2_565
C48 C49 C50 C51 -143.7(5) . .
C68 C49 C50 C51 -1.4(5) . .
C50 C50 C51 C52 -0.7(6) 2_565 .
C49 C50 C51 C52 143.4(5) . .
C50 C50 C51 C67 -141.7(3) 2_565 .
C49 C50 C51 C67 2.4(6) . .
C50 C51 C52 C53 -137.2(5) . .
C67 C51 C52 C53 0.0(8) . .
C50 C51 C52 C52 0.7(6) . 2_565
C67 C51 C52 C52 137.9(4) . 2_565
C51 C52 C53 C65 -0.6(8) . .
C52 C52 C53 C65 -143.0(4) 2_565 .
C51 C52 C53 C54 143.6(5) . .
C52 C52 C53 C54 1.2(5) 2_565 .
C65 C53 C54 C55 2.5(9) . .
C52 C53 C54 C55 -141.1(6) . .
C65 C53 C54 C53 141.7(5) . 2_565
C52 C53 C54 C53 -2.0(8) . 2_565
C53 C54 C55 C56 -136.1(6) 2_565 .
C53 C54 C55 C56 -1.6(9) . .
C53 C54 C55 C56 1.6(9) 2_565 2_565
C53 C54 C55 C56 136.1(6) . 2_565
C54 C55 C56 C64 -0.5(9) . .
C56 C55 C56 C64 -142.0(5) 2_565 .
C54 C55 C56 C57 144.4(6) . .
C56 C55 C56 C57 2.9(8) 2_565 .
C64 C56 C57 C58 4.5(8) . .
C55 C56 C57 C58 -140.8(6) . .
C64 C56 C57 C57 143.6(4) . 2_565
C55 C56 C57 C57 -1.8(5) . 2_565
C56 C57 C58 C59 138.0(5) . .
C57 C57 C58 C59 2.5(6) 2_565 .
C56 C57 C58 C62 -5.1(8) . .
C57 C57 C58 C62 -140.6(4) 2_565 .
C57 C58 C59 C59 -2.5(6) . 2_565
C62 C58 C59 C59 143.5(3) . 2_565
C57 C58 C59 C60 -156.6(5) . .
C62 C58 C59 C60 -10.6(6) . .
C59 C59 C60 C61 -133.9(3) 2_565 .
C58 C59 C60 C61 17.9(5) . .
C59 C59 C60 C75 106.0(4) 2_565 .
C58 C59 C60 C75 -102.2(5) . .
C59 C59 C60 C43 -11.4(5) 2_565 .
C58 C59 C60 C43 140.4(4) . .
C44 C43 C60 C61 -1.0(6) . .
C43 C43 C60 C61 123.6(3) 2_565 .
C82 C43 C60 C61 -123.4(4) . .
C44 C43 C60 C59 -113.8(5) . .
C43 C43 C60 C59 10.8(5) 2_565 .
C82 C43 C60 C59 123.8(4) . .
C44 C43 C60 C75 119.0(4) . .
C43 C43 C60 C75 -116.4(3) 2_565 .
C82 C43 C60 C75 -3.4(4) . .
C59 C60 C61 C72 135.9(5) . .
C75 C60 C61 C72 -99.0(6) . .
C43 C60 C61 C72 15.0(7) . .
C59 C60 C61 C62 -19.7(5) . .
C75 C60 C61 C62 105.4(5) . .
C43 C60 C61 C62 -140.6(4) . .
C72 C61 C62 C63 0.3(7) . .
C60 C61 C62 C63 157.5(5) . .
C72 C61 C62 C58 -142.5(5) . .
C60 C61 C62 C58 14.7(6) . .
C57 C58 C62 C63 3.2(8) . .
C59 C58 C62 C63 -145.4(5) . .
C57 C58 C62 C61 146.4(5) . .
C59 C58 C62 C61 -2.1(6) . .
C61 C62 C63 C74 -1.8(8) . .
C58 C62 C63 C74 135.9(5) . .
C61 C62 C63 C64 -138.2(5) . .
C58 C62 C63 C64 -0.6(8) . .
C57 C56 C64 C63 -1.8(8) . .
C55 C56 C64 C63 138.6(6) . .
C57 C56 C64 C65 -138.5(5) . .
C55 C56 C64 C65 1.8(8) . .
C62 C63 C64 C56 -0.1(8) . .
C74 C63 C64 C56 -140.8(5) . .
C62 C63 C64 C65 141.1(5) . .
C74 C63 C64 C65 0.4(6) . .
C52 C53 C65 C66 0.7(8) . .
C54 C53 C65 C66 -139.2(6) . .
C52 C53 C65 C64 138.6(5) . .
C54 C53 C65 C64 -1.3(8) . .
C56 C64 C65 C53 -0.9(8) . .
C63 C64 C65 C53 -142.4(5) . .
C56 C64 C65 C66 141.9(5) . .
C63 C64 C65 C66 0.3(6) . .
C53 C65 C66 C67 -0.3(8) . .
C64 C65 C66 C67 -143.0(5) . .
C53 C65 C66 C74 141.7(5) . .
C64 C65 C66 C74 -1.0(6) . .
C74 C66 C67 C51 -137.5(5) . .
C65 C66 C67 C51 -0.2(8) . .
C74 C66 C67 C68 1.5(8) . .
C65 C66 C67 C68 138.8(5) . .
C52 C51 C67 C66 0.3(7) . .
C50 C51 C67 C66 141.4(5) . .
C52 C51 C67 C68 -143.6(5) . .
C50 C51 C67 C68 -2.5(6) . .
C66 C67 C68 C69 -1.9(8) . .
C51 C67 C68 C69 142.1(5) . .
C66 C67 C68 C49 -142.4(5) . .
C51 C67 C68 C49 1.6(6) . .
C48 C49 C68 C69 1.0(8) . .
C50 C49 C68 C69 -141.2(5) . .
C48 C49 C68 C67 142.0(5) . .
C50 C49 C68 C67 -0.1(6) . .
C67 C68 C69 C70 -136.6(5) . .
C49 C68 C69 C70 0.4(8) . .
C67 C68 C69 C73 1.9(8) . .
C49 C68 C69 C73 138.9(5) . .
C46 C47 C70 C69 137.1(6) . .
C48 C47 C70 C69 1.2(8) . .
C46 C47 C70 C71 -4.1(8) . .
C48 C47 C70 C71 -139.9(5) . .
C68 C69 C70 C47 -1.5(8) . .
C73 C69 C70 C47 -145.1(5) . .
C68 C69 C70 C71 143.3(5) . .
C73 C69 C70 C71 -0.3(6) . .
C45 C44 C71 C70 3.5(8) . .
C43 C44 C71 C70 152.8(5) . .
C45 C44 C71 C72 -136.2(5) . .
C43 C44 C71 C72 13.1(8) . .
C47 C70 C71 C44 0.7(8) . .
C69 C70 C71 C44 -144.5(5) . .
C47 C70 C71 C72 145.0(5) . .
C69 C70 C71 C72 -0.2(6) . .
C62 C61 C72 C73 0.1(8) . .
C60 C61 C72 C73 -154.0(5) . .
C62 C61 C72 C71 138.5(5) . .
C60 C61 C72 C71 -15.7(8) . .
C44 C71 C72 C61 1.3(8) . .
C70 C71 C72 C61 -142.8(5) . .
C44 C71 C72 C73 144.6(5) . .
C70 C71 C72 C73 0.6(6) . .
C61 C72 C73 C74 0.9(8) . .
C71 C72 C73 C74 -141.5(5) . .
C61 C72 C73 C69 141.6(5) . .
C71 C72 C73 C69 -0.8(6) . .
C68 C69 C73 C74 -1.6(8) . .
C70 C69 C73 C74 142.4(5) . .
C68 C69 C73 C72 -143.4(5) . .
C70 C69 C73 C72 0.6(6) . .
C72 C73 C74 C66 138.4(5) . .
C69 C73 C74 C66 1.1(8) . .
C72 C73 C74 C63 -2.3(8) . .
C69 C73 C74 C63 -139.5(5) . .
C67 C66 C74 C73 -1.2(8) . .
C65 C66 C74 C73 -142.8(5) . .
C67 C66 C74 C63 143.0(5) . .
C65 C66 C74 C63 1.3(6) . .
C62 C63 C74 C73 2.8(8) . .
C64 C63 C74 C73 143.7(5) . .
C62 C63 C74 C66 -142.1(5) . .
C64 C63 C74 C66 -1.1(6) . .
C61 C60 C75 O83 163.0(4) . .
C59 C60 C75 O83 -83.5(5) . .
C43 C60 C75 O83 40.3(5) . .
C61 C60 C75 C76 54.3(6) . .
C59 C60 C75 C76 167.9(4) . .
C43 C60 C75 C76 -68.4(5) . .
O83 C75 C76 C77 155.0(6) . .
C60 C75 C76 C77 -97.5(7) . .
O83 C75 C76 C81 -30.7(5) . .
C60 C75 C76 C81 76.8(5) . .
C81 C76 C77 C78 5.1(7) . .
C75 C76 C77 C78 178.6(5) . .
C76 C77 C78 C79 -3.5(8) . .
C77 C78 C79 C80 -0.6(8) . .
C78 C79 C80 C81 3.2(8) . .
C79 C80 C81 C76 -1.6(7) . .
C79 C80 C81 C82 -174.0(5) . .
C77 C76 C81 C80 -2.7(8) . .
C75 C76 C81 C80 -177.9(4) . .
C77 C76 C81 C82 171.7(4) . .
C75 C76 C81 C82 -3.6(5) . .
C80 C81 C82 O83 -151.2(5) . .
C76 C81 C82 O83 35.5(5) . .
C80 C81 C82 C84 -24.6(9) . .
C76 C81 C82 C84 162.1(5) . .
C80 C81 C82 C43 102.8(6) . .
C76 C81 C82 C43 -70.5(5) . .
C44 C43 C82 O83 -154.9(4) . .
C60 C43 C82 O83 -32.9(4) . .
C43 C43 C82 O83 92.2(3) 2_565 .
C44 C43 C82 C81 -48.5(6) . .
C60 C43 C82 C81 73.5(5) . .
C43 C43 C82 C81 -161.5(3) 2_565 .
C44 C43 C82 C84 90.1(5) . .
C60 C43 C82 C84 -147.9(5) . .
C43 C43 C82 C84 -22.9(4) 2_565 .
C76 C75 O83 C82 50.7(4) . .
C60 C75 O83 C82 -61.9(4) . .
C81 C82 O83 C75 -52.7(4) . .
C84 C82 O83 C75 170.5(4) . .
C43 C82 O83 C75 58.7(4) . .
O83 C82 C84 C82 -70.7(6) . 2_565
C81 C82 C84 C82 166.2(3) . 2_565
C43 C82 C84 C82 38.0(7) . 2_565
C103 C85 C86 C86 -134.4(3) . 2_565
C102 C85 C86 C86 -9.8(6) . 2_565
C117 C85 C86 C86 104.5(4) . 2_565
C103 C85 C86 C87 18.6(5) . .
C102 C85 C86 C87 143.2(5) . .
C117 C85 C86 C87 -102.5(5) . .
C86 C86 C87 C88 0.0(7) 2_565 .
C85 C86 C87 C88 -155.1(5) . .
C86 C86 C87 C104 142.6(3) 2_565 .
C85 C86 C87 C104 -12.6(6) . .
C86 C87 C88 C88 0.0(7) . 2_565
C104 C87 C88 C88 -138.3(4) . 2_565
C86 C87 C88 C89 139.7(6) . .
C104 C87 C88 C89 1.4(8) . .
C88 C88 C89 C106 142.7(5) 2_565 .
C87 C88 C89 C106 -0.8(9) . .
C88 C88 C89 C90 -0.1(5) 2_565 .
C87 C88 C89 C90 -143.6(6) . .
C106 C89 C90 C91 -2.1(9) . .
C88 C89 C90 C91 141.2(6) . .
C106 C89 C90 C89 -143.2(5) . 2_565
C88 C89 C90 C89 0.2(8) . 2_565
C89 C90 C91 C92 138.2(6) 2_565 .
C89 C90 C91 C92 2.0(10) . .
C89 C90 C91 C92 -2.0(10) 2_565 2_565
C89 C90 C91 C92 -138.2(6) . 2_565
C92 C91 C92 C107 142.3(6) 2_565 .
C90 C91 C92 C107 -0.8(10) . .
C92 C91 C92 C93 -0.2(9) 2_565 .
C90 C91 C92 C93 -143.3(6) . .
C107 C92 C93 C94 -1.1(9) . .
C91 C92 C93 C94 143.1(6) . .
C107 C92 C93 C93 -144.1(4) . 2_565
C91 C92 C93 C93 0.1(6) . 2_565
C93 C93 C94 C95 3.0(8) 2_565 .
C92 C93 C94 C95 -136.1(6) . .
C93 C93 C94 C109 138.1(4) 2_565 .
C92 C93 C94 C109 -1.0(9) . .
C93 C94 C95 C95 -3.0(8) . 2_565
C109 C94 C95 C95 -142.5(4) . 2_565
C93 C94 C95 C96 141.5(6) . .
C109 C94 C95 C96 2.0(7) . .
C95 C95 C96 C97 0.0(7) 2_565 .
C94 C95 C96 C97 -144.2(6) . .
C95 C95 C96 C110 141.7(4) 2_565 .
C94 C95 C96 C110 -2.4(7) . .
C110 C96 C97 C98 -2.3(9) . .
C95 C96 C97 C98 134.5(6) . .
C110 C96 C97 C97 -136.8(5) . 2_565
C95 C96 C97 C97 0.0(7) . 2_565
C96 C97 C98 C112 3.9(9) . .
C97 C97 C98 C112 143.9(5) 2_565 .
C96 C97 C98 C99 -141.6(6) . .
C97 C97 C98 C99 -1.5(5) 2_565 .
C112 C98 C99 C100 -2.9(10) . .
C97 C98 C99 C100 142.6(6) . .
C112 C98 C99 C98 -143.0(5) . 2_565
C97 C98 C99 C98 2.5(9) . 2_565
C98 C99 C100 C101 -139.0(6) . 2_565
C98 C99 C100 C101 -3.7(10) 2_565 2_565
C98 C99 C100 C101 3.7(10) . .
C98 C99 C100 C101 139.0(6) 2_565 .
C99 C100 C101 C113 -3.1(9) . .
C101 C100 C101 C113 143.3(5) 2_565 .
C99 C100 C101 C102 -158.9(6) . .
C101 C100 C101 C102 -12.5(8) 2_565 .
C113 C101 C102 C124 100.8(6) . .
C100 C101 C102 C124 -105.5(6) . .
C113 C101 C102 C102 -146.3(5) . 2_565
C100 C101 C102 C102 7.4(5) . 2_565
C113 C101 C102 C85 -15.8(7) . .
C100 C101 C102 C85 137.9(5) . .
C86 C85 C102 C101 -113.6(5) . .
C103 C85 C102 C101 3.8(6) . .
C117 C85 C102 C101 122.0(5) . .
C86 C85 C102 C124 122.2(5) . .
C103 C85 C102 C124 -120.4(5) . .
C117 C85 C102 C124 -2.1(5) . .
C86 C85 C102 C102 9.1(5) . 2_565
C103 C85 C102 C102 126.5(3) . 2_565
C117 C85 C102 C102 -115.2(3) . 2_565
C86 C85 C103 C114 133.1(5) . .
C102 C85 C103 C114 9.0(7) . .
C117 C85 C103 C114 -102.1(6) . .
C86 C85 C103 C104 -18.3(6) . .
C102 C85 C103 C104 -142.4(5) . .
C117 C85 C103 C104 106.5(5) . .
C114 C103 C104 C105 3.3(8) . .
C85 C103 C104 C105 156.4(5) . .
C114 C103 C104 C87 -141.6(5) . .
C85 C103 C104 C87 11.5(6) . .
C88 C87 C104 C105 -1.8(8) . .
C86 C87 C104 C105 -145.1(5) . .
C88 C87 C104 C103 143.8(5) . .
C86 C87 C104 C103 0.5(6) . .
C103 C104 C105 C116 -2.2(8) . .
C87 C104 C105 C116 138.7(6) . .
C103 C104 C105 C106 -139.4(6) . .
C87 C104 C105 C106 1.5(8) . .
C88 C89 C106 C105 0.5(9) . .
C90 C89 C106 C105 138.5(6) . .
C88 C89 C106 C107 -137.1(6) . .
C90 C89 C106 C107 0.9(8) . .
C104 C105 C106 C89 -0.9(9) . .
C116 C105 C106 C89 -141.2(6) . .
C104 C105 C106 C107 141.5(5) . .
C116 C105 C106 C107 1.1(6) . .
C91 C92 C107 C108 -136.3(7) . .
C93 C92 C107 C108 2.0(8) . .
C91 C92 C107 C106 -0.4(9) . .
C93 C92 C107 C106 137.8(6) . .
C89 C106 C107 C92 0.3(8) . .
C105 C106 C107 C92 -142.5(5) . .
C89 C106 C107 C108 142.1(5) . .
C105 C106 C107 C108 -0.7(6) . .
C92 C107 C108 C109 -0.6(9) . .
C106 C107 C108 C109 -140.9(6) . .
C92 C107 C108 C116 140.3(6) . .
C106 C107 C108 C116 0.1(7) . .
C116 C108 C109 C110 1.3(9) . .
C107 C108 C109 C110 138.3(6) . .
C116 C108 C109 C94 -138.5(6) . .
C107 C108 C109 C94 -1.5(9) . .
C93 C94 C109 C108 2.3(9) . .
C95 C94 C109 C108 143.5(6) . .
C93 C94 C109 C110 -142.0(6) . .
C95 C94 C109 C110 -0.8(7) . .
C97 C96 C110 C111 1.2(10) . .
C95 C96 C110 C111 -140.3(6) . .
C97 C96 C110 C109 143.4(6) . .
C95 C96 C110 C109 1.9(7) . .
C108 C109 C110 C111 -1.1(9) . .
C94 C109 C110 C111 142.9(6) . .
C108 C109 C110 C96 -144.7(6) . .
C94 C109 C110 C96 -0.7(7) . .
C96 C110 C111 C115 139.5(6) . .
C109 C110 C111 C115 0.9(9) . .
C96 C110 C111 C112 -1.6(9) . .
C109 C110 C111 C112 -140.2(6) . .
C99 C98 C112 C113 1.5(9) . .
C97 C98 C112 C113 -140.7(6) . .
C99 C98 C112 C111 138.0(6) . .
C97 C98 C112 C111 -4.3(8) . .
C110 C111 C112 C98 3.2(8) . .
C115 C111 C112 C98 -142.6(6) . .
C110 C111 C112 C113 145.0(6) . .
C115 C111 C112 C113 -0.8(6) . .
C100 C101 C113 C112 1.8(8) . .
C102 C101 C113 C112 153.3(5) . .
C100 C101 C113 C114 -136.6(6) . .
C102 C101 C113 C114 15.0(8) . .
C98 C112 C113 C101 -1.0(8) . .
C111 C112 C113 C101 -142.6(5) . .
C98 C112 C113 C114 141.6(5) . .
C111 C112 C113 C114 0.0(6) . .
C104 C103 C114 C115 -2.5(8) . .
C85 C103 C114 C115 -151.2(5) . .
C104 C103 C114 C113 137.3(5) . .
C85 C103 C114 C113 -11.3(8) . .
C101 C113 C114 C103 -0.5(8) . .
C112 C113 C114 C103 -143.5(5) . .
C101 C113 C114 C115 143.8(5) . .
C112 C113 C114 C115 0.8(6) . .
C110 C111 C115 C116 -0.8(9) . .
C112 C111 C115 C116 143.2(5) . .
C110 C111 C115 C114 -142.8(6) . .
C112 C111 C115 C114 1.2(7) . .
C103 C114 C115 C116 0.7(8) . .
C113 C114 C115 C116 -143.3(5) . .
C103 C114 C115 C111 142.8(5) . .
C113 C114 C115 C111 -1.2(6) . .
C111 C115 C116 C105 -137.3(6) . .
C114 C115 C116 C105 0.4(9) . .
C111 C115 C116 C108 0.9(8) . .
C114 C115 C116 C108 138.5(6) . .
C104 C105 C116 C115 0.4(8) . .
C106 C105 C116 C115 141.4(6) . .
C104 C105 C116 C108 -142.2(5) . .
C106 C105 C116 C108 -1.1(6) . .
C109 C108 C116 C115 -1.2(8) . .
C107 C108 C116 C115 -142.2(6) . .
C109 C108 C116 C105 141.7(6) . .
C107 C108 C116 C105 0.6(7) . .
C86 C85 C117 O125 -86.1(5) . .
C103 C85 C117 O125 157.7(4) . .
C102 C85 C117 O125 36.6(5) . .
C86 C85 C117 C118 167.7(5) . .
C103 C85 C117 C118 51.5(6) . .
C102 C85 C117 C118 -69.5(5) . .
O125 C117 C118 C123 -29.7(6) . .
C85 C117 C118 C123 76.6(6) . .
O125 C117 C118 C119 150.7(6) . .
C85 C117 C118 C119 -103.0(7) . .
C123 C118 C119 C120 3.9(9) . .
C117 C118 C119 C120 -176.6(6) . .
C118 C119 C120 C121 -2.8(9) . .
C119 C120 C121 C122 -1.2(10) . .
C120 C121 C122 C123 4.1(9) . .
C121 C122 C123 C118 -3.0(9) . .
C121 C122 C123 C124 -179.7(6) . .
C119 C118 C123 C122 -0.9(9) . .
C117 C118 C123 C122 179.4(5) . .
C119 C118 C123 C124 176.5(5) . .
C117 C118 C123 C124 -3.1(6) . .
C122 C123 C124 O125 -149.0(7) . .
C118 C123 C124 O125 33.9(6) . .
C122 C123 C124 C126 -21.8(11) . .
C118 C123 C124 C126 161.1(6) . .
C122 C123 C124 C102 106.4(7) . .
C118 C123 C124 C102 -70.7(6) . .
C101 C102 C124 O125 -153.9(4) . .
C102 C102 C124 O125 92.4(3) 2_565 .
C85 C102 C124 O125 -31.8(5) . .
C101 C102 C124 C126 88.5(6) . .
C102 C102 C124 C126 -25.2(5) 2_565 .
C85 C102 C124 C126 -149.4(5) . .
C101 C102 C124 C123 -50.4(6) . .
C102 C102 C124 C123 -164.1(4) 2_565 .
C85 C102 C124 C123 71.7(5) . .
C118 C117 O125 C124 51.1(5) . .
C85 C117 O125 C124 -59.6(5) . .
C126 C124 O125 C117 171.2(5) . .
C123 C124 O125 C117 -52.3(5) . .
C102 C124 O125 C117 57.4(4) . .
O125 C124 C126 C124 -69.2(7) . 2_565
C123 C124 C126 C124 168.9(4) . 2_565
C102 C124 C126 C124 40.6(7) . 2_565
C144 C127 C128 C155 15.9(10) . .
C127 C127 C128 C155 147.3(6) 2_575 .
C159 C127 C128 C155 -99.4(8) . .
C144 C127 C128 C129 -139.4(7) . .
C127 C127 C128 C129 -8.1(6) 2_575 .
C159 C127 C128 C129 105.3(7) . .
C155 C128 C129 C130 1.7(12) . .
C127 C128 C129 C130 158.4(8) . .
C155 C128 C129 C128 -143.1(6) . 2_575
C127 C128 C129 C128 13.6(11) . 2_575
C128 C129 C130 C131 -139.2(7) . 2_575
C128 C129 C130 C131 2.0(13) 2_575 2_575
C128 C129 C130 C131 -2.0(13) . .
C128 C129 C130 C131 139.2(7) 2_575 .
C129 C130 C131 C154 0.3(12) . .
C131 C130 C131 C154 141.6(6) 2_575 .
C129 C130 C131 C132 -142.7(8) . .
C131 C130 C131 C132 -1.4(10) 2_575 .
C154 C131 C132 C133 -3.0(10) . .
C130 C131 C132 C133 140.1(7) . .
C154 C131 C132 C132 -142.3(5) . 2_575
C130 C131 C132 C132 0.9(6) . 2_575
C131 C132 C133 C152 2.7(10) . .
C132 C132 C133 C152 137.3(5) 2_575 .
C131 C132 C133 C134 -135.1(7) . .
C132 C132 C133 C134 -0.5(8) 2_575 .
C132 C133 C134 C134 0.5(8) . 2_575
C152 C133 C134 C134 -141.4(4) . 2_575
C132 C133 C134 C135 144.3(7) . .
C152 C133 C134 C135 2.3(8) . .
C134 C134 C135 C136 -1.1(8) 2_575 .
C133 C134 C135 C136 -144.2(7) . .
C134 C134 C135 C151 140.4(5) 2_575 .
C133 C134 C135 C151 -2.7(8) . .
C151 C135 C136 C137 0.8(11) . .
C134 C135 C136 C137 137.7(7) . .
C151 C135 C136 C136 -135.8(6) . 2_575
C134 C135 C136 C136 1.1(8) . 2_575
C135 C136 C137 C149 1.4(10) . .
C136 C136 C137 C149 143.0(6) 2_575 .
C135 C136 C137 C138 -141.2(8) . .
C136 C136 C137 C138 0.4(7) 2_575 .
C149 C137 C138 C139 1.1(12) . .
C136 C137 C138 C139 143.9(8) . .
C149 C137 C138 C137 -143.4(6) . 2_575
C136 C137 C138 C137 -0.6(11) . 2_575
C137 C138 C139 C140 138.9(7) 2_575 .
C137 C138 C139 C140 -1.5(13) . .
C137 C138 C139 C140 1.5(13) 2_575 2_575
C137 C138 C139 C140 -138.9(7) . 2_575
C138 C139 C140 C148 1.2(12) . .
C140 C139 C140 C148 143.2(6) 2_575 .
C138 C139 C140 C141 -140.7(8) . .
C140 C139 C140 C141 1.3(10) 2_575 .
C148 C140 C141 C142 1.1(10) . .
C139 C140 C141 C142 141.8(7) . .
C148 C140 C141 C141 -141.6(6) . 2_575
C139 C140 C141 C141 -0.8(6) . 2_575
C141 C141 C142 C143 -2.6(7) 2_575 .
C140 C141 C142 C143 -141.6(6) . .
C141 C141 C142 C146 139.3(5) 2_575 .
C140 C141 C142 C146 0.4(9) . .
C141 C142 C143 C143 2.6(7) . 2_575
C146 C142 C143 C143 -143.3(4) . 2_575
C141 C142 C143 C144 155.4(6) . .
C146 C142 C143 C144 9.5(7) . .
C143 C143 C144 C145 135.4(4) 2_575 .
C142 C143 C144 C145 -15.4(7) . .
C143 C143 C144 C127 9.3(7) 2_575 .
C142 C143 C144 C127 -141.5(6) . .
C143 C143 C144 C166 -106.6(4) 2_575 .
C142 C143 C144 C166 102.5(6) . .
C128 C127 C144 C145 -3.4(8) . .
C127 C127 C144 C145 -126.8(5) 2_575 .
C159 C127 C144 C145 119.5(6) . .
C128 C127 C144 C143 114.6(6) . .
C127 C127 C144 C143 -8.8(6) 2_575 .
C159 C127 C144 C143 -122.5(6) . .
C128 C127 C144 C166 -120.7(5) . .
C127 C127 C144 C166 115.8(3) 2_575 .
C159 C127 C144 C166 2.2(5) . .
C143 C144 C145 C156 -135.3(7) . .
C127 C144 C145 C156 -10.1(10) . .
C166 C144 C145 C156 102.1(7) . .
C143 C144 C145 C146 16.1(7) . .
C127 C144 C145 C146 141.4(6) . .
C166 C144 C145 C146 -106.5(6) . .
C156 C145 C146 C147 -1.6(10) . .
C144 C145 C146 C147 -155.4(6) . .
C156 C145 C146 C142 142.4(6) . .
C144 C145 C146 C142 -11.4(7) . .
C141 C142 C146 C147 -0.6(10) . .
C143 C142 C146 C147 145.9(6) . .
C141 C142 C146 C145 -145.5(6) . .
C143 C142 C146 C145 1.0(7) . .
C145 C146 C147 C158 1.5(10) . .
C142 C146 C147 C158 -138.5(7) . .
C145 C146 C147 C148 139.6(7) . .
C142 C146 C147 C148 -0.4(10) . .
C141 C140 C148 C149 135.9(7) . .
C139 C140 C148 C149 -0.4(11) . .
C141 C140 C148 C147 -2.1(10) . .
C139 C140 C148 C147 -138.4(7) . .
C146 C147 C148 C140 1.8(10) . .
C158 C147 C148 C140 143.5(6) . .
C146 C147 C148 C149 -141.5(6) . .
C158 C147 C148 C149 0.2(8) . .
C138 C137 C149 C150 137.6(8) . .
C136 C137 C149 C150 -1.0(10) . .
C138 C137 C149 C148 -0.3(11) . .
C136 C137 C149 C148 -138.8(7) . .
C140 C148 C149 C137 0.0(11) . .
C147 C148 C149 C137 142.1(7) . .
C140 C148 C149 C150 -140.8(7) . .
C147 C148 C149 C150 1.3(8) . .
C137 C149 C150 C151 -1.9(11) . .
C148 C149 C150 C151 139.7(7) . .
C137 C149 C150 C158 -143.9(7) . .
C148 C149 C150 C158 -2.3(8) . .
C149 C150 C151 C135 4.1(11) . .
C158 C150 C151 C135 143.2(7) . .
C149 C150 C151 C152 -136.1(8) . .
C158 C150 C151 C152 3.0(10) . .
C136 C135 C151 C150 -3.4(11) . .
C134 C135 C151 C150 -144.1(7) . .
C136 C135 C151 C152 142.7(7) . .
C134 C135 C151 C152 2.1(8) . .
C132 C133 C152 C153 -0.5(10) . .
C134 C133 C152 C153 142.7(6) . .
C132 C133 C152 C151 -144.2(6) . .
C134 C133 C152 C151 -1.1(8) . .
C150 C151 C152 C153 -1.7(10) . .
C135 C151 C152 C153 -145.3(7) . .
C150 C151 C152 C133 143.0(7) . .
C135 C151 C152 C133 -0.6(8) . .
C133 C152 C153 C154 -1.5(10) . .
C151 C152 C153 C154 139.0(7) . .
C133 C152 C153 C157 -138.9(7) . .
C151 C152 C153 C157 1.5(10) . .
C130 C131 C154 C153 -138.1(7) . .
C132 C131 C154 C153 1.1(10) . .
C130 C131 C154 C155 1.7(10) . .
C132 C131 C154 C155 140.9(6) . .
C152 C153 C154 C131 1.2(10) . .
C157 C153 C154 C131 143.7(6) . .
C152 C153 C154 C155 -142.4(6) . .
C157 C153 C154 C155 0.1(8) . .
C129 C128 C155 C154 0.3(11) . .
C127 C128 C155 C154 -152.5(7) . .
C129 C128 C155 C156 137.5(7) . .
C127 C128 C155 C156 -15.3(11) . .
C131 C154 C155 C128 -2.0(10) . .
C153 C154 C155 C128 142.1(7) . .
C131 C154 C155 C156 -145.5(6) . .
C153 C154 C155 C156 -1.5(7) . .
C146 C145 C156 C157 -1.0(10) . .
C144 C145 C156 C157 148.4(7) . .
C146 C145 C156 C155 -137.3(6) . .
C144 C145 C156 C155 12.0(10) . .
C128 C155 C156 C157 -140.6(7) . .
C154 C155 C156 C157 2.3(8) . .
C128 C155 C156 C145 0.6(10) . .
C154 C155 C156 C145 143.6(6) . .
C145 C156 C157 C158 3.8(12) . .
C155 C156 C157 C158 142.8(7) . .
C145 C156 C157 C153 -141.3(6) . .
C155 C156 C157 C153 -2.3(8) . .
C152 C153 C157 C156 143.1(7) . .
C154 C153 C157 C156 1.4(8) . .
C152 C153 C157 C158 -3.0(11) . .
C154 C153 C157 C158 -144.7(7) . .
C156 C157 C158 C147 -3.9(12) . .
C153 C157 C158 C147 138.0(4) . .
C156 C157 C158 C150 -137.5(4) . .
C153 C157 C158 C150 4.4(12) . .
C146 C147 C158 C157 1.3(11) . .
C148 C147 C158 C157 -141.2(7) . .
C146 C147 C158 C150 140.9(7) . .
C148 C147 C158 C150 -1.5(8) . .
C151 C150 C158 C157 -4.4(11) . .
C149 C150 C158 C157 141.1(7) . .
C151 C150 C158 C147 -143.2(6) . .
C149 C150 C158 C147 2.3(8) . .
C128 C127 C159 O167 154.3(5) . .
C144 C127 C159 O167 33.2(5) . .
C127 C127 C159 O167 -91.7(3) 2_575 .
C128 C127 C159 C168 -90.5(6) . .
C144 C127 C159 C168 148.3(5) . .
C127 C127 C159 C168 23.4(4) 2_575 .
C128 C127 C159 C160 48.9(7) . .
C144 C127 C159 C160 -72.3(5) . .
C127 C127 C159 C160 162.8(3) 2_575 .
O167 C159 C160 C161 150.8(6) . .
C168 C159 C160 C161 25.0(10) . .
C127 C159 C160 C161 -104.2(7) . .
O167 C159 C160 C165 -34.4(5) . .
C168 C159 C160 C165 -160.1(6) . .
C127 C159 C160 C165 70.7(5) . .
C165 C160 C161 C162 0.4(8) . .
C159 C160 C161 C162 174.6(6) . .
C160 C161 C162 C163 -3.3(9) . .
C161 C162 C163 C164 2.8(10) . .
C162 C163 C164 C165 0.7(9) . .
C163 C164 C165 C160 -3.6(8) . .
C163 C164 C165 C166 -177.1(6) . .
C161 C160 C165 C164 3.2(9) . .
C159 C160 C165 C164 -172.6(5) . .
C161 C160 C165 C166 178.3(5) . .
C159 C160 C165 C166 2.6(6) . .
C164 C165 C166 O167 -155.3(6) . .
C160 C165 C166 O167 30.4(5) . .
C164 C165 C166 C144 98.8(7) . .
C160 C165 C166 C144 -75.5(6) . .
C145 C144 C166 O167 -160.0(4) . .
C143 C144 C166 O167 86.5(6) . .
C127 C144 C166 O167 -37.6(5) . .
C145 C144 C166 C165 -53.8(6) . .
C143 C144 C166 C165 -167.3(5) . .
C127 C144 C166 C165 68.6(5) . .
C165 C166 O167 C159 -50.7(5) . .
C144 C166 O167 C159 60.5(4) . .
C168 C159 O167 C166 -171.4(5) . .
C160 C159 O167 C166 52.5(5) . .
C127 C159 O167 C166 -58.2(5) . .
O167 C159 C168 C159 70.8(7) . 2_575
C160 C159 C168 C159 -167.2(3) . 2_575
C127 C159 C168 C159 -37.9(7) . 2_575
C189 C169 C170 C170 -138.9(4) . 2_575
C200 C169 C170 C170 1.1(6) 2_575 2_575
C189 C169 C170 C171 -1.1(8) . .
C200 C169 C170 C171 138.9(5) 2_575 .
C169 C170 C171 C187 -0.4(8) . .
C170 C170 C171 C187 142.0(4) 2_575 .
C169 C170 C171 C172 -140.5(6) . .
C170 C170 C171 C172 2.0(5) 2_575 .
C187 C171 C172 C173 2.4(10) . .
C170 C171 C172 C173 143.0(7) . .
C187 C171 C172 C171 -143.8(5) . 2_575
C170 C171 C172 C171 -3.2(8) . 2_575
C171 C172 C173 C174 0.8(11) 2_575 2_575
C171 C172 C173 C174 -141.2(6) . 2_575
C171 C172 C173 C174 141.2(6) 2_575 .
C171 C172 C173 C174 -0.8(11) . .
C172 C173 C174 C186 -1.4(10) . .
C174 C173 C174 C186 143.8(5) 2_575 .
C172 C173 C174 C175 -141.1(7) . .
C174 C173 C174 C175 4.1(8) 2_575 .
C186 C174 C175 C176 0.8(8) . .
C173 C174 C175 C176 140.7(6) . .
C186 C174 C175 C175 -142.5(4) . 2_575
C173 C174 C175 C175 -2.6(5) . 2_575
C175 C175 C176 C184 137.5(4) 2_575 .
C174 C175 C176 C184 -1.2(8) . .
C175 C175 C176 C177 -2.0(6) 2_575 .
C174 C175 C176 C177 -140.7(5) . .
C175 C176 C177 C177 2.0(6) . 2_575
C184 C176 C177 C177 -141.9(3) . 2_575
C175 C176 C177 C178 156.0(5) . .
C184 C176 C177 C178 12.1(6) . .
C177 C177 C178 C183 134.3(3) 2_575 .
C176 C177 C178 C183 -17.2(5) . .
C177 C177 C178 C179 8.4(5) 2_575 .
C176 C177 C178 C179 -143.1(4) . .
C177 C177 C178 C208 -105.0(4) 2_575 .
C176 C177 C178 C208 103.4(5) . .
C183 C178 C179 C180 -3.3(6) . .
C177 C178 C179 C180 114.4(4) . .
C208 C178 C179 C180 -122.7(4) . .
C183 C178 C179 C201 120.5(5) . .
C177 C178 C179 C201 -121.8(4) . .
C208 C178 C179 C201 1.1(5) . .
C183 C178 C179 C179 -125.5(3) . 2_575
C177 C178 C179 C179 -7.8(5) . 2_575
C208 C178 C179 C179 115.1(3) . 2_575
C201 C179 C180 C181 -98.7(6) . .
C178 C179 C180 C181 17.6(7) . .
C179 C179 C180 C181 148.7(4) 2_575 .
C201 C179 C180 C192 105.5(5) . .
C178 C179 C180 C192 -138.2(5) . .
C179 C179 C180 C192 -7.1(5) 2_575 .
C192 C180 C181 C195 0.9(8) . 2_575
C179 C180 C181 C195 -153.3(5) . 2_575
C192 C180 C181 C182 137.4(5) . .
C179 C180 C181 C182 -16.8(7) . .
C180 C181 C182 C183 0.4(7) . .
C195 C181 C182 C183 142.3(5) 2_575 .
C180 C181 C182 C191 -140.4(5) . .
C195 C181 C182 C191 1.5(6) 2_575 .
C191 C182 C183 C184 1.6(7) . .
C181 C182 C183 C184 -134.8(5) . .
C191 C182 C183 C178 150.0(5) . .
C181 C182 C183 C178 13.6(8) . .
C177 C178 C183 C182 -134.8(5) . .
C179 C178 C183 C182 -11.4(7) . .
C208 C178 C183 C182 101.5(6) . .
C177 C178 C183 C184 16.7(5) . .
C179 C178 C183 C184 140.1(4) . .
C208 C178 C183 C184 -106.9(5) . .
C182 C183 C184 C185 -5.5(7) . .
C178 C183 C184 C185 -157.8(5) . .
C182 C183 C184 C176 142.1(5) . .
C178 C183 C184 C176 -10.2(6) . .
C175 C176 C184 C185 1.8(8) . .
C177 C176 C184 C185 145.6(5) . .
C175 C176 C184 C183 -145.1(5) . .
C177 C176 C184 C183 -1.3(6) . .
C183 C184 C185 C190 4.5(8) . .
C176 C184 C185 C190 -139.0(5) . .
C183 C184 C185 C186 141.7(5) . .
C176 C184 C185 C186 -1.8(8) . .
C173 C174 C186 C185 -136.3(6) . .
C175 C174 C186 C185 -0.9(8) . .
C173 C174 C186 C187 1.9(8) . .
C175 C174 C186 C187 137.3(5) . .
C184 C185 C186 C174 1.4(8) . .
C190 C185 C186 C174 142.9(5) . .
C184 C185 C186 C187 -141.5(5) . .
C190 C185 C186 C187 0.0(6) . .
C172 C171 C187 C188 137.4(6) . .
C170 C171 C187 C188 1.7(8) . .
C172 C171 C187 C186 -1.9(8) . .
C170 C171 C187 C186 -137.7(5) . .
C174 C186 C187 C171 -0.2(8) . .
C185 C186 C187 C171 143.5(5) . .
C174 C186 C187 C188 -143.5(5) . .
C185 C186 C187 C188 0.3(6) . .
C171 C187 C188 C189 -1.6(8) . .
C186 C187 C188 C189 141.8(5) . .
C171 C187 C188 C190 -143.8(5) . .
C186 C187 C188 C190 -0.5(6) . .
C187 C188 C189 C169 0.2(8) . .
C190 C188 C189 C169 137.5(5) . .
C187 C188 C189 C197 -136.9(5) . 2_575
C190 C188 C189 C197 0.4(8) . 2_575
C170 C169 C189 C188 1.2(8) . .
C200 C169 C189 C188 -143.3(5) 2_575 .
C170 C169 C189 C197 142.4(5) . 2_575
C200 C169 C189 C197 -2.1(6) 2_575 2_575
C184 C185 C190 C191 0.4(8) . .
C186 C185 C190 C191 -140.0(5) . .
C184 C185 C190 C188 140.1(5) . .
C186 C185 C190 C188 -0.3(6) . .
C189 C188 C190 C191 -1.4(8) . .
C187 C188 C190 C191 140.6(5) . .
C189 C188 C190 C185 -141.5(5) . .
C187 C188 C190 C185 0.4(6) . .
C185 C190 C191 C196 137.6(5) . 2_575
C188 C190 C191 C196 2.2(8) . 2_575
C185 C190 C191 C182 -4.3(8) . .
C188 C190 C191 C182 -139.7(5) . .
C183 C182 C191 C190 3.4(8) . .
C181 C182 C191 C190 144.7(5) . .
C183 C182 C191 C196 -143.5(5) . 2_575
C181 C182 C191 C196 -2.1(6) . 2_575
C181 C180 C192 C193 2.5(9) . .
C179 C180 C192 C193 160.0(6) . .
C181 C180 C192 C180 -145.6(4) . 2_575
C179 C180 C192 C180 11.9(7) . 2_575
C180 C192 C193 C194 -4.5(9) . 2_575
C180 C192 C193 C194 139.4(5) 2_575 2_575
C180 C192 C193 C194 -139.4(5) . .
C180 C192 C193 C194 4.5(9) 2_575 .
C192 C193 C194 C195 -3.1(8) . .
C194 C193 C194 C195 -143.3(4) 2_575 .
C192 C193 C194 C199 139.5(6) . .
C194 C193 C194 C199 -0.7(8) 2_575 .
C199 C194 C195 C181 -137.3(5) . 2_575
C193 C194 C195 C181 -0.1(8) . 2_575
C199 C194 C195 C196 1.4(8) . .
C193 C194 C195 C196 138.6(5) . .
C194 C195 C196 C197 -0.6(8) . .
C181 C195 C196 C197 143.1(5) 2_575 .
C194 C195 C196 C191 -142.8(5) . 2_575
C181 C195 C196 C191 0.9(6) 2_575 2_575
C191 C196 C197 C198 138.3(6) 2_575 .
C195 C196 C197 C198 -0.3(8) . .
C191 C196 C197 C189 -0.9(8) 2_575 2_575
C195 C196 C197 C189 -139.5(5) . 2_575
C196 C197 C198 C199 0.5(8) . .
C189 C197 C198 C199 144.2(5) 2_575 .
C196 C197 C198 C200 -142.3(5) . .
C189 C197 C198 C200 1.5(6) 2_575 .
C200 C198 C199 C194 139.0(5) . .
C197 C198 C199 C194 0.3(8) . .
C200 C198 C199 C199 1.0(6) . 2_575
C197 C198 C199 C199 -137.6(4) . 2_575
C195 C194 C199 C198 -1.3(8) . .
C193 C194 C199 C198 -141.8(5) . .
C195 C194 C199 C199 141.0(4) . 2_575
C193 C194 C199 C199 0.5(5) . 2_575
C199 C198 C200 C200 -1.0(6) . 2_575
C197 C198 C200 C200 141.8(3) . 2_575
C199 C198 C200 C169 -143.1(5) . 2_575
C197 C198 C200 C169 -0.2(6) . 2_575
C180 C179 C201 O209 155.4(4) . .
C178 C179 C201 O209 33.3(5) . .
C179 C179 C201 O209 -92.1(3) 2_575 .
C180 C179 C201 C210 -89.0(6) . .
C178 C179 C201 C210 148.9(5) . .
C179 C179 C201 C210 23.5(5) 2_575 .
C180 C179 C201 C202 50.6(6) . .
C178 C179 C201 C202 -71.5(5) . .
C179 C179 C201 C202 163.1(3) 2_575 .
O209 C201 C202 C203 148.6(6) . .
C210 C201 C202 C203 25.1(10) . .
C179 C201 C202 C203 -105.3(7) . .
O209 C201 C202 C207 -36.0(5) . .
C210 C201 C202 C207 -159.5(6) . .
C179 C201 C202 C207 70.1(5) . .
C207 C202 C203 C204 1.7(8) . .
C201 C202 C203 C204 176.4(5) . .
C202 C203 C204 C205 -2.7(8) . .
C203 C204 C205 C206 2.0(8) . .
C204 C205 C206 C207 -0.2(8) . .
C205 C206 C207 C202 -0.8(8) . .
C205 C206 C207 C208 179.1(5) . .
C203 C202 C207 C206 0.0(8) . .
C201 C202 C207 C206 -176.1(5) . .
C203 C202 C207 C208 -179.9(5) . .
C201 C202 C207 C208 4.0(5) . .
C206 C207 C208 O209 -150.4(6) . .
C202 C207 C208 O209 29.5(5) . .
C206 C207 C208 C178 103.7(7) . .
C202 C207 C208 C178 -76.4(5) . .
C183 C178 C208 O209 -158.9(4) . .
C177 C178 C208 O209 85.5(5) . .
C179 C178 C208 O209 -35.5(5) . .
C183 C178 C208 C207 -54.1(6) . .
C177 C178 C208 C207 -169.7(4) . .
C179 C178 C208 C207 69.3(5) . .
C207 C208 O209 C201 -51.5(4) . .
C178 C208 O209 C201 58.4(5) . .
C210 C201 O209 C208 -171.6(4) . .
C202 C201 O209 C208 54.3(4) . .
C179 C201 O209 C208 -57.4(4) . .
O209 C201 C210 C201 72.5(6) . 2_575
C202 C201 C210 C201 -168.3(3) . 2_575
C179 C201 C210 C201 -37.6(7) . 2_575
