#------------------------------------------------------------------------------
#$Date: 2015-06-04 05:55:27 +0300 (Thu, 04 Jun 2015) $
#$Revision: 137766 $
#$URL: svn://www.crystallography.net/cod/cif/4/51/30/4513052.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_4513052
loop_
_publ_author_name
'Ghiassi, Kamran B.'
'Wescott, Joseph'
'Chen, Susanne Y.'
'Balch, Alan L.'
'Olmstead, Marilyn M.'
_publ_section_title
;
 Waves of Halogen--Halogen Bond Formation in the Cocrystallization of
 Hexabromobenzene and 1,2,4,5-Tetrabromobenzene with C70
;
_journal_issue                   5
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              2480
_journal_paper_doi               10.1021/acs.cgd.5b00256
_journal_volume                  15
_journal_year                    2015
_chemical_formula_moiety         'C70, C6 Br6, C6 H6'
_chemical_formula_sum            'C82 H6 Br6'
_chemical_formula_weight         1470.33
_chemical_name_common            'C70 . C6Br6 . C6H6'
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                92.7676(15)
_cell_angle_beta                 91.2288(15)
_cell_angle_gamma                93.6104(15)
_cell_formula_units_Z            4
_cell_length_a                   10.1941(11)
_cell_length_b                   13.0528(13)
_cell_length_c                   34.839(4)
_cell_measurement_reflns_used    9896
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      33.63
_cell_measurement_theta_min      2.86
_cell_volume                     4619.7(9)
_computing_cell_refinement       'SAINT (Bruker, 2014)'
_computing_data_collection       'Apex2 (Bruker, 2014)'
_computing_data_reduction        'SAINT (Bruker, 2014)'
_computing_publication_material  'SHELXL-2014 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 8.3
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measurement_device_type  'Bruker ApexII'
_diffrn_measurement_method       ω
_diffrn_radiation_type           synchroton
_diffrn_radiation_wavelength     0.7749
_diffrn_reflns_av_R_equivalents  0.0687
_diffrn_reflns_av_unetI/netI     0.1119
_diffrn_reflns_laue_measured_fraction_full 0.995
_diffrn_reflns_laue_measured_fraction_max 0.982
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       49
_diffrn_reflns_limit_l_min       -49
_diffrn_reflns_number            68817
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.982
_diffrn_reflns_theta_full        27.706
_diffrn_reflns_theta_max         33.638
_diffrn_reflns_theta_min         2.553
_diffrn_source                   'ALS, Beamline 11.3.1'
_exptl_absorpt_coefficient_mu    6.503
_exptl_absorpt_correction_T_max  0.436
_exptl_absorpt_correction_T_min  0.355
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    2.114
_exptl_crystal_description       block
_exptl_crystal_F_000             2832
_exptl_crystal_size_max          0.050
_exptl_crystal_size_mid          0.050
_exptl_crystal_size_min          0.050
_refine_diff_density_max         1.661
_refine_diff_density_min         -0.995
_refine_diff_density_rms         0.199
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.018
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1615
_refine_ls_number_reflns         27807
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.018
_refine_ls_R_factor_all          0.0776
_refine_ls_R_factor_gt           0.0591
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0753P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1648
_refine_ls_wR_factor_ref         0.1779
_reflns_Friedel_coverage         0.000
_reflns_number_gt                20580
_reflns_number_total             27807
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            cg5b00256_si_002.cif
_cod_data_source_block           kbg53
_cod_original_cell_volume        4619.8(8)
_cod_database_code               4513052
_shelx_shelxl_version_number     2014/7
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.737
_shelx_estimated_absorpt_t_max   0.737
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C -0.0645(4) 0.5318(3) 0.35479(13) 0.0254(9) Uani 1 1 d . . . . .
C2 C -0.0578(4) 0.6171(3) 0.33163(12) 0.0221(8) Uani 1 1 d . . . . .
C3 C 0.0148(4) 0.6061(3) 0.29732(12) 0.0250(9) Uani 1 1 d . . . . .
C4 C 0.0977(4) 0.5237(3) 0.29105(12) 0.0259(9) Uani 1 1 d . . . . .
C5 C 0.1091(4) 0.4479(3) 0.31793(12) 0.0259(9) Uani 1 1 d . . . . .
C6 C 0.0179(4) 0.4477(3) 0.34810(13) 0.0244(9) Uani 1 1 d . . . . .
C7 C 0.0477(4) 0.4057(3) 0.38426(14) 0.0291(10) Uani 1 1 d . . . . .
C8 C -0.0188(4) 0.4632(3) 0.41413(14) 0.0307(10) Uani 1 1 d . . . . .
C9 C -0.0862(4) 0.5416(4) 0.39535(14) 0.0292(10) Uani 1 1 d . . . . .
C10 C -0.0918(4) 0.6388(4) 0.41269(13) 0.0300(10) Uani 1 1 d . . . . .
C11 C -0.0744(4) 0.7289(4) 0.38982(13) 0.0262(9) Uani 1 1 d . . . . .
C12 C -0.0635(4) 0.7194(3) 0.34953(12) 0.0223(8) Uani 1 1 d . . . . .
C13 C 0.0037(4) 0.8026(3) 0.33242(13) 0.0265(9) Uani 1 1 d . . . . .
C14 C 0.0686(4) 0.7901(4) 0.29650(13) 0.0305(10) Uani 1 1 d . . . . .
C15 C 0.0733(4) 0.6946(4) 0.27911(12) 0.0302(10) Uani 1 1 d . . . . .
C16 C 0.1948(5) 0.6644(4) 0.26095(11) 0.0314(10) Uani 1 1 d . . . . .
C17 C 0.2078(5) 0.5587(4) 0.26861(12) 0.0317(10) Uani 1 1 d . . . . .
C18 C 0.3315(5) 0.5242(4) 0.27606(12) 0.0325(10) Uani 1 1 d . . . . .
C19 C 0.3483(4) 0.4533(3) 0.30591(13) 0.0302(10) Uani 1 1 d . . . . .
C20 C 0.2414(4) 0.4118(3) 0.32579(14) 0.0292(10) Uani 1 1 d . . . . .
C21 C 0.2693(4) 0.3787(3) 0.36283(14) 0.0289(10) Uani 1 1 d . . . . .
C22 C 0.1712(5) 0.3719(3) 0.39172(15) 0.0330(10) Uani 1 1 d . . . . .
C23 C 0.2346(5) 0.3948(3) 0.42928(15) 0.0346(11) Uani 1 1 d . . . . .
C24 C 0.1718(5) 0.4494(4) 0.45711(15) 0.0372(12) Uani 1 1 d . . . . .
C25 C 0.0426(5) 0.4862(4) 0.44965(14) 0.0357(11) Uani 1 1 d . . . . .
C26 C 0.0350(5) 0.5868(4) 0.46777(13) 0.0371(12) Uani 1 1 d . . . . .
C27 C -0.0291(5) 0.6627(4) 0.45014(13) 0.0329(10) Uani 1 1 d . . . . .
C28 C 0.0270(4) 0.7651(4) 0.44979(13) 0.0319(10) Uani 1 1 d . . . . .
C29 C -0.0013(4) 0.8070(3) 0.41275(13) 0.0275(9) Uani 1 1 d . . . . .
C30 C 0.0846(4) 0.8781(3) 0.39611(14) 0.0296(10) Uani 1 1 d . . . . .
C31 C 0.0772(4) 0.8825(3) 0.35574(14) 0.0286(9) Uani 1 1 d . . . . .
C32 C 0.1881(4) 0.9181(3) 0.33345(14) 0.0312(10) Uani 1 1 d . . . . .
C33 C 0.1842(5) 0.8636(4) 0.29718(14) 0.0321(11) Uani 1 1 d . . . . .
C34 C 0.2967(5) 0.8354(4) 0.27987(13) 0.0337(11) Uani 1 1 d . . . . .
C35 C 0.3023(5) 0.7332(4) 0.26124(12) 0.0358(11) Uani 1 1 d . . . . .
C36 C 0.4314(5) 0.6986(4) 0.26922(12) 0.0343(11) Uani 1 1 d . . . . .
C37 C 0.4463(5) 0.5960(4) 0.27664(12) 0.0312(10) Uani 1 1 d . . . . .
C38 C 0.5321(4) 0.5675(4) 0.30681(12) 0.0282(9) Uani 1 1 d . . . . .
C39 C 0.4735(4) 0.4810(3) 0.32472(13) 0.0252(9) Uani 1 1 d . . . . .
C40 C 0.4919(4) 0.4656(3) 0.36448(13) 0.0260(9) Uani 1 1 d . . . . .
C41 C 0.3935(4) 0.4055(3) 0.38230(14) 0.0295(10) Uani 1 1 d . . . . .
C42 C 0.3717(4) 0.4165(3) 0.42300(14) 0.0291(9) Uani 1 1 d . . . . .
C43 C 0.4425(4) 0.4917(4) 0.44546(13) 0.0298(10) Uani 1 1 d . . . . .
C44 C 0.3784(5) 0.5489(4) 0.47504(13) 0.0348(11) Uani 1 1 d . . . . .
C45 C 0.2443(5) 0.5299(4) 0.48094(13) 0.0391(12) Uani 1 1 d . . . . .
C46 C 0.1612(5) 0.6139(4) 0.48747(12) 0.0368(12) Uani 1 1 d . . . . .
C47 C 0.2152(5) 0.7155(4) 0.48783(12) 0.0381(12) Uani 1 1 d . . . . .
C48 C 0.1471(5) 0.7915(4) 0.46830(13) 0.0350(11) Uani 1 1 d . . . . .
C49 C 0.2418(4) 0.8589(3) 0.45042(13) 0.0298(10) Uani 1 1 d . . . . .
C50 C 0.2130(4) 0.9058(3) 0.41555(14) 0.0306(10) Uani 1 1 d . . . . .
C51 C 0.3208(4) 0.9340(3) 0.39336(15) 0.0307(10) Uani 1 1 d . . . . .
C52 C 0.3078(4) 0.9442(3) 0.35201(15) 0.0313(10) Uani 1 1 d . . . . .
C53 C 0.4275(4) 0.9153(3) 0.33435(14) 0.0294(10) Uani 1 1 d . . . . .
C54 C 0.4245(5) 0.8618(4) 0.29911(14) 0.0338(11) Uani 1 1 d . . . . .
C55 C 0.5056(5) 0.7778(4) 0.29245(13) 0.0356(11) Uani 1 1 d . . . . .
C56 C 0.5898(4) 0.7513(4) 0.32169(13) 0.0293(9) Uani 1 1 d . . . . .
C57 C 0.6027(4) 0.6448(3) 0.32898(13) 0.0277(9) Uani 1 1 d . . . . .
C58 C 0.6153(3) 0.6337(3) 0.36992(12) 0.0232(8) Uani 1 1 d . . . . .
C59 C 0.5673(4) 0.5457(3) 0.38831(13) 0.0247(9) Uani 1 1 d . . . . .
C60 C 0.5382(4) 0.5591(3) 0.42774(13) 0.0243(8) Uani 1 1 d . . . . .
C61 C 0.5322(4) 0.6598(3) 0.44577(12) 0.0250(9) Uani 1 1 d . . . . .
C62 C 0.4349(5) 0.6546(4) 0.47465(12) 0.0318(10) Uani 1 1 d . . . . .
C63 C 0.3545(5) 0.7355(4) 0.48076(12) 0.0354(11) Uani 1 1 d . . . . .
C64 C 0.3712(5) 0.8240(3) 0.45833(13) 0.0300(10) Uani 1 1 d . . . . .
C65 C 0.4733(4) 0.8352(3) 0.43141(13) 0.0270(9) Uani 1 1 d . . . . .
C66 C 0.4493(4) 0.8991(3) 0.40139(14) 0.0264(9) Uani 1 1 d . . . . .
C67 C 0.5134(4) 0.8874(3) 0.36500(13) 0.0267(9) Uani 1 1 d . . . . .
C68 C 0.5938(4) 0.8058(3) 0.35855(13) 0.0273(9) Uani 1 1 d . . . . .
C69 C 0.6097(3) 0.7343(3) 0.38799(12) 0.0229(8) Uani 1 1 d . . . . .
C70 C 0.5579(4) 0.7484(3) 0.42457(13) 0.0245(8) Uani 1 1 d . . . . .
C71 C 0.7591(4) 0.0765(3) 0.13202(12) 0.0215(8) Uani 1 1 d . . . . .
C72 C 0.6848(4) 0.0904(3) 0.09810(12) 0.0218(8) Uani 1 1 d . . . . .
C73 C 0.7568(4) 0.1156(3) 0.06547(12) 0.0231(8) Uani 1 1 d . . . . .
C74 C 0.8937(4) 0.1476(3) 0.06860(12) 0.0223(8) Uani 1 1 d . . . . .
C75 C 0.9623(4) 0.1524(3) 0.10446(12) 0.0202(8) Uani 1 1 d . . . . .
C76 C 0.8952(4) 0.1074(3) 0.13506(12) 0.0218(8) Uani 1 1 d . . . . .
C77 C 0.9269(4) 0.1415(3) 0.17468(12) 0.0236(8) Uani 1 1 d . . . . .
C78 C 0.8068(4) 0.1295(3) 0.19641(12) 0.0227(8) Uani 1 1 d . . . . .
C79 C 0.7036(4) 0.0909(3) 0.16969(12) 0.0215(8) Uani 1 1 d . . . . .
C80 C 0.5784(4) 0.1246(3) 0.17299(12) 0.0208(8) Uani 1 1 d . . . . .
C81 C 0.5039(4) 0.1463(3) 0.13902(11) 0.0199(7) Uani 1 1 d . . . . .
C82 C 0.5526(4) 0.1270(3) 0.10155(12) 0.0199(8) Uani 1 1 d . . . . .
C83 C 0.5028(4) 0.1863(3) 0.07201(11) 0.0204(8) Uani 1 1 d . . . . .
C84 C 0.5756(4) 0.2046(3) 0.03810(11) 0.0221(8) Uani 1 1 d . . . . .
C85 C 0.7008(4) 0.1699(3) 0.03428(11) 0.0229(8) Uani 1 1 d . . . . .
C86 C 0.8035(4) 0.2347(3) 0.01817(11) 0.0215(8) Uani 1 1 d . . . . .
C87 C 0.9226(4) 0.2208(3) 0.03950(11) 0.0214(8) Uani 1 1 d . . . . .
C88 C 1.0127(4) 0.3023(3) 0.04789(11) 0.0197(7) Uani 1 1 d . . . . .
C89 C 1.0772(4) 0.3150(3) 0.08542(11) 0.0194(7) Uani 1 1 d . . . . .
C90 C 1.0579(4) 0.2402(3) 0.11322(12) 0.0202(8) Uani 1 1 d . . . . .
C91 C 1.0798(4) 0.2757(3) 0.15181(12) 0.0209(8) Uani 1 1 d . . . . .
C92 C 1.0157(4) 0.2235(3) 0.18312(12) 0.0238(8) Uani 1 1 d . . . . .
C93 C 0.9899(4) 0.2978(3) 0.21336(11) 0.0240(8) Uani 1 1 d . . . . .
C94 C 0.8754(4) 0.2872(3) 0.23407(11) 0.0254(9) Uani 1 1 d . . . . .
C95 C 0.7818(4) 0.2020(3) 0.22575(11) 0.0223(8) Uani 1 1 d . . . . .
C96 C 0.6511(4) 0.2378(3) 0.22926(11) 0.0227(8) Uani 1 1 d . . . . .
C97 C 0.5516(4) 0.1999(3) 0.20346(11) 0.0203(8) Uani 1 1 d . . . . .
C98 C 0.4613(4) 0.2685(3) 0.18728(11) 0.0192(7) Uani 1 1 d . . . . .
C99 C 0.4313(4) 0.2349(3) 0.14769(11) 0.0190(7) Uani 1 1 d . . . . .
C100 C 0.4060(3) 0.3051(3) 0.11950(11) 0.0183(7) Uani 1 1 d . . . . .
C101 C 0.4304(4) 0.2749(3) 0.08095(11) 0.0201(8) Uani 1 1 d . . . . .
C102 C 0.4588(4) 0.3476(3) 0.05206(11) 0.0192(7) Uani 1 1 d . . . . .
C103 C 0.5472(4) 0.3054(3) 0.02504(11) 0.0237(8) Uani 1 1 d . . . . .
C104 C 0.6461(4) 0.3669(3) 0.00953(10) 0.0210(8) Uani 1 1 d . . . . .
C105 C 0.7770(4) 0.3314(3) 0.00592(10) 0.0202(8) Uani 1 1 d . . . . .
C106 C 0.8712(4) 0.4169(3) 0.01474(10) 0.0181(7) Uani 1 1 d . . . . .
C107 C 0.9866(4) 0.4032(3) 0.03519(11) 0.0201(8) Uani 1 1 d . . . . .
C108 C 1.0333(3) 0.4766(3) 0.06547(11) 0.0178(7) Uani 1 1 d . . . . .
C109 C 1.0908(3) 0.4230(3) 0.09631(11) 0.0184(7) Uani 1 1 d . . . . .
C110 C 1.0834(3) 0.4570(3) 0.13505(11) 0.0180(7) Uani 1 1 d . . . . .
C111 C 1.0923(3) 0.3831(3) 0.16285(12) 0.0205(8) Uani 1 1 d . . . . .
C112 C 1.0356(4) 0.3973(3) 0.20032(11) 0.0230(8) Uani 1 1 d . . . . .
C113 C 0.9661(4) 0.4822(3) 0.20889(11) 0.0227(8) Uani 1 1 d . . . . .
C114 C 0.8480(4) 0.4723(3) 0.23086(11) 0.0241(8) Uani 1 1 d . . . . .
C115 C 0.8026(4) 0.3776(3) 0.24327(11) 0.0243(8) Uani 1 1 d . . . . .
C116 C 0.6641(4) 0.3455(3) 0.24010(11) 0.0226(8) Uani 1 1 d . . . . .
C117 C 0.5757(4) 0.4120(3) 0.22430(11) 0.0232(8) Uani 1 1 d . . . . .
C118 C 0.4730(4) 0.3712(3) 0.19765(11) 0.0203(8) Uani 1 1 d . . . . .
C119 C 0.4568(4) 0.4470(3) 0.16901(11) 0.0191(7) Uani 1 1 d . . . . .
C120 C 0.4188(3) 0.4155(3) 0.13067(11) 0.0186(7) Uani 1 1 d . . . . .
C121 C 0.4553(4) 0.4852(3) 0.10236(11) 0.0190(7) Uani 1 1 d . . . . .
C122 C 0.4708(4) 0.4517(3) 0.06281(11) 0.0198(8) Uani 1 1 d . . . . .
C123 C 0.5740(4) 0.5168(3) 0.04653(11) 0.0200(8) Uani 1 1 d . . . . .
C124 C 0.6596(4) 0.4758(3) 0.02044(11) 0.0202(8) Uani 1 1 d . . . . .
C125 C 0.7980(4) 0.5070(3) 0.02378(10) 0.0190(7) Uani 1 1 d . . . . .
C126 C 0.8448(4) 0.5777(3) 0.05266(11) 0.0176(7) Uani 1 1 d . . . . .
C127 C 0.9640(4) 0.5618(3) 0.07391(11) 0.0171(7) Uani 1 1 d . . . . .
C128 C 0.9485(4) 0.5967(3) 0.11383(11) 0.0175(7) Uani 1 1 d . . . . .
C129 C 1.0100(3) 0.5489(3) 0.14416(11) 0.0165(7) Uani 1 1 d . . . . .
C130 C 0.9492(4) 0.5567(3) 0.17983(11) 0.0205(8) Uani 1 1 d . . . . .
C131 C 0.8205(4) 0.5917(3) 0.18360(11) 0.0231(8) Uani 1 1 d . . . . .
C132 C 0.7570(4) 0.5400(3) 0.21452(11) 0.0227(8) Uani 1 1 d . . . . .
C133 C 0.6241(4) 0.5094(3) 0.21162(11) 0.0208(8) Uani 1 1 d . . . . .
C134 C 0.5486(4) 0.5308(3) 0.17744(11) 0.0206(8) Uani 1 1 d . . . . .
C135 C 0.6067(4) 0.5880(3) 0.14812(11) 0.0197(7) Uani 1 1 d . . . . .
C136 C 0.5483(4) 0.5706(3) 0.11099(12) 0.0201(8) Uani 1 1 d . . . . .
C137 C 0.6217(4) 0.5898(3) 0.07664(12) 0.0204(8) Uani 1 1 d . . . . .
C138 C 0.7542(4) 0.6198(3) 0.07964(11) 0.0179(7) Uani 1 1 d . . . . .
C139 C 0.8184(4) 0.6321(3) 0.11704(11) 0.0181(7) Uani 1 1 d . . . . .
C140 C 0.7471(4) 0.6202(3) 0.15114(11) 0.0183(7) Uani 1 1 d . . . . .
C141 C 1.0145(4) 1.0763(3) 0.28026(10) 0.0137(6) Uani 1 1 d . . . . .
C142 C 0.9074(4) 1.0043(3) 0.27417(10) 0.0143(6) Uani 1 1 d . . . . .
C143 C 0.9080(3) 0.9334(3) 0.24308(10) 0.0143(6) Uani 1 1 d . . . . .
C144 C 1.0116(3) 0.9342(3) 0.21803(10) 0.0136(6) Uani 1 1 d . . . . .
C145 C 1.1177(3) 1.0064(3) 0.22380(10) 0.0134(6) Uani 1 1 d . . . . .
C146 C 1.1191(3) 1.0781(3) 0.25525(10) 0.0155(7) Uani 1 1 d . . . . .
C147 C 1.0110(4) 1.0636(3) 0.46911(10) 0.0153(7) Uani 1 1 d . . . . .
C148 C 0.8962(4) 1.0029(3) 0.47346(10) 0.0152(7) Uani 1 1 d . . . . .
C149 C 0.8848(3) 0.9389(3) 0.50426(10) 0.0138(6) Uani 1 1 d . . . . .
C150 C 0.1029(3) -0.0008(3) 0.02695(10) 0.0145(7) Uani 1 1 d . . . . .
C151 C -0.0103(3) -0.0644(3) 0.03074(10) 0.0134(6) Uani 1 1 d . . . . .
C152 C -0.1134(3) -0.0641(3) 0.00372(10) 0.0143(6) Uani 1 1 d . . . . .
C153 C 0.6818(7) 0.2735(5) 0.4054(2) 0.028(2) Uani 0.5 1 d G . P A 1
H153 H 0.7434 0.3052 0.4239 0.034 Uiso 0.5 1 calc R U P A 1
C154 C 0.5676(8) 0.2220(7) 0.41743(17) 0.020(2) Uani 0.5 1 d G . P A 1
H154 H 0.5511 0.2184 0.4441 0.024 Uiso 0.5 1 calc R U P A 1
C155 C 0.4775(7) 0.1756(9) 0.3904(3) 0.022(3) Uani 0.5 1 d G . P A 1
H155 H 0.3994 0.1404 0.3986 0.026 Uiso 0.5 1 calc R U P A 1
C156 C 0.5017(9) 0.1808(8) 0.3514(2) 0.022(3) Uani 0.5 1 d G . P A 1
H156 H 0.4401 0.1491 0.3330 0.026 Uiso 0.5 1 calc R U P A 1
C157 C 0.6159(11) 0.2323(6) 0.33944(17) 0.026(2) Uani 0.5 1 d G . P A 1
H157 H 0.6324 0.2359 0.3128 0.031 Uiso 0.5 1 calc R U P A 1
C158 C 0.7060(7) 0.2787(5) 0.3664(3) 0.030(3) Uani 0.5 1 d G . P A 1
H158 H 0.7840 0.3139 0.3582 0.036 Uiso 0.5 1 calc R U P A 1
C159 C 0.7084(6) 0.2751(6) 0.3847(3) 0.032(3) Uani 0.5 1 d G . P B 2
H159 H 0.7889 0.3084 0.3942 0.038 Uiso 0.5 1 calc R U P B 2
C160 C 0.6180(10) 0.2342(8) 0.41000(19) 0.033(3) Uani 0.5 1 d G . P B 2
H160 H 0.6366 0.2396 0.4369 0.040 Uiso 0.5 1 calc R U P B 2
C161 C 0.5002(10) 0.1855(10) 0.3960(3) 0.023(3) Uani 0.5 1 d G . P B 2
H161 H 0.4384 0.1576 0.4133 0.028 Uiso 0.5 1 calc R U P B 2
C162 C 0.4729(7) 0.1777(10) 0.3567(3) 0.026(3) Uani 0.5 1 d G . P B 2
H162 H 0.3924 0.1444 0.3471 0.031 Uiso 0.5 1 calc R U P B 2
C163 C 0.5634(8) 0.2185(8) 0.33134(19) 0.024(2) Uani 0.5 1 d G . P B 2
H163 H 0.5447 0.2132 0.3045 0.029 Uiso 0.5 1 calc R U P B 2
C164 C 0.6811(6) 0.2672(6) 0.3453(3) 0.032(2) Uani 0.5 1 d G . P B 2
H164 H 0.7430 0.2952 0.3280 0.039 Uiso 0.5 1 calc R U P B 2
C165 C 0.4431(5) 0.7925(4) 0.16620(14) 0.0335(11) Uani 1 1 d . . . . .
H165 H 0.4567 0.7975 0.1933 0.040 Uiso 1 1 calc R U . . .
C166 C 0.3329(5) 0.7386(4) 0.15041(18) 0.0448(14) Uani 1 1 d . . . . .
H166 H 0.2718 0.7050 0.1666 0.054 Uiso 1 1 calc R U . . .
C167 C 0.3110(5) 0.7332(4) 0.1112(2) 0.0513(16) Uani 1 1 d . . . . .
H167 H 0.2341 0.6970 0.1004 0.062 Uiso 1 1 calc R U . . .
C168 C 0.4012(6) 0.7806(4) 0.08742(15) 0.0433(14) Uani 1 1 d . . . . .
H168 H 0.3859 0.7770 0.0604 0.052 Uiso 1 1 calc R U . . .
C169 C 0.5135(5) 0.8332(3) 0.10317(12) 0.0316(10) Uani 1 1 d . . . . .
H169 H 0.5761 0.8650 0.0870 0.038 Uiso 1 1 calc R U . . .
C170 C 0.5339(5) 0.8391(3) 0.14278(13) 0.0285(9) Uani 1 1 d . . . . .
H170 H 0.6105 0.8754 0.1538 0.034 Uiso 1 1 calc R U . . .
Br1 Br 1.01630(4) 1.17216(3) 0.32243(2) 0.02182(9) Uani 1 1 d . . . . .
Br2 Br 0.76588(4) 1.00539(3) 0.30759(2) 0.02356(10) Uani 1 1 d . . . . .
Br3 Br 0.76427(4) 0.83625(3) 0.23478(2) 0.02214(9) Uani 1 1 d . . . . .
Br4 Br 1.01014(4) 0.83825(3) 0.17613(2) 0.02355(10) Uani 1 1 d . . . . .
Br5 Br 1.25760(4) 1.00882(3) 0.18987(2) 0.02332(10) Uani 1 1 d . . . . .
Br6 Br 1.26107(4) 1.17551(3) 0.26334(2) 0.02182(9) Uani 1 1 d . . . . .
Br7 Br 1.02473(5) 1.15237(3) 0.42840(2) 0.02568(10) Uani 1 1 d . . . . .
Br8 Br 0.75542(4) 1.00750(3) 0.43806(2) 0.02513(10) Uani 1 1 d . . . . .
Br9 Br 0.73011(4) 0.85523(3) 0.51006(2) 0.02503(10) Uani 1 1 d . . . . .
Br10 Br 0.24103(4) 0.00015(3) 0.06359(2) 0.02318(9) Uani 1 1 d . . . . .
Br11 Br -0.02386(5) -0.15074(3) 0.07197(2) 0.02712(10) Uani 1 1 d . . . . .
Br12 Br -0.26500(4) -0.15127(3) 0.00869(2) 0.02224(9) 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 0.0040 0.0020 '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'
Br Br -0.7405 2.7887 '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 C9 122.2(4) . .
C2 C1 C6 121.2(4) . .
C9 C1 C6 107.7(4) . .
C1 C2 C3 115.9(4) . .
C1 C2 C12 119.2(4) . .
C3 C2 C12 118.1(4) . .
C4 C3 C2 121.6(4) . .
C4 C3 C15 107.8(4) . .
C2 C3 C15 121.3(4) . .
C5 C4 C3 121.4(4) . .
C5 C4 C17 121.8(4) . .
C3 C4 C17 108.8(4) . .
C4 C5 C6 116.5(4) . .
C4 C5 C20 117.9(4) . .
C6 C5 C20 118.2(4) . .
C5 C6 C7 121.4(4) . .
C5 C6 C1 121.2(4) . .
C7 C6 C1 108.5(4) . .
C22 C7 C6 120.4(4) . .
C22 C7 C8 119.9(4) . .
C6 C7 C8 108.1(4) . .
C25 C8 C9 119.5(5) . .
C25 C8 C7 120.2(4) . .
C9 C8 C7 106.8(4) . .
C10 C9 C1 119.0(4) . .
C10 C9 C8 120.7(4) . .
C1 C9 C8 108.8(4) . .
C9 C10 C27 119.9(4) . .
C9 C10 C11 119.8(4) . .
C27 C10 C11 108.4(4) . .
C12 C11 C29 122.3(4) . .
C12 C11 C10 121.3(4) . .
C29 C11 C10 107.7(4) . .
C11 C12 C13 115.8(4) . .
C11 C12 C2 118.2(4) . .
C13 C12 C2 118.6(4) . .
C12 C13 C14 121.9(4) . .
C12 C13 C31 120.9(4) . .
C14 C13 C31 108.2(4) . .
C15 C14 C13 119.9(4) . .
C15 C14 C33 120.6(4) . .
C13 C14 C33 108.1(4) . .
C14 C15 C3 119.8(4) . .
C14 C15 C16 119.9(5) . .
C3 C15 C16 107.9(4) . .
C35 C16 C17 121.3(4) . .
C35 C16 C15 119.6(5) . .
C17 C16 C15 106.8(4) . .
C18 C17 C16 119.7(5) . .
C18 C17 C4 119.7(4) . .
C16 C17 C4 108.6(4) . .
C17 C18 C19 119.6(4) . .
C17 C18 C37 119.8(5) . .
C19 C18 C37 108.4(4) . .
C20 C19 C39 121.9(4) . .
C20 C19 C18 121.6(4) . .
C39 C19 C18 107.3(4) . .
C19 C20 C21 116.2(4) . .
C19 C20 C5 118.9(4) . .
C21 C20 C5 118.1(4) . .
C20 C21 C22 122.1(4) . .
C20 C21 C41 121.7(4) . .
C22 C21 C41 107.2(4) . .
C7 C22 C21 119.5(4) . .
C7 C22 C23 119.8(5) . .
C21 C22 C23 108.7(4) . .
C24 C23 C42 120.5(5) . .
C24 C23 C22 119.9(4) . .
C42 C23 C22 107.1(4) . .
C23 C24 C25 120.9(5) . .
C23 C24 C45 120.3(5) . .
C25 C24 C45 106.4(5) . .
C8 C25 C26 119.6(4) . .
C8 C25 C24 119.2(5) . .
C26 C25 C24 109.6(5) . .
C27 C26 C25 121.6(5) . .
C27 C26 C46 118.9(5) . .
C25 C26 C46 107.3(5) . .
C26 C27 C28 121.4(5) . .
C26 C27 C10 118.7(5) . .
C28 C27 C10 106.9(4) . .
C48 C28 C27 120.1(5) . .
C48 C28 C29 119.4(5) . .
C27 C28 C29 109.4(4) . .
C30 C29 C11 121.0(4) . .
C30 C29 C28 122.3(4) . .
C11 C29 C28 107.6(4) . .
C29 C30 C31 117.1(4) . .
C29 C30 C50 118.3(4) . .
C31 C30 C50 117.8(4) . .
C30 C31 C32 122.5(4) . .
C30 C31 C13 120.7(4) . .
C32 C31 C13 107.1(4) . .
C52 C32 C33 119.8(4) . .
C52 C32 C31 119.2(4) . .
C33 C32 C31 109.6(4) . .
C34 C33 C32 121.5(4) . .
C34 C33 C14 119.2(5) . .
C32 C33 C14 107.1(4) . .
C33 C34 C35 120.4(5) . .
C33 C34 C54 119.5(5) . .
C35 C34 C54 107.4(4) . .
C16 C35 C36 119.6(5) . .
C16 C35 C34 120.2(5) . .
C36 C35 C34 107.4(4) . .
C37 C36 C35 120.0(5) . .
C37 C36 C55 118.9(4) . .
C35 C36 C55 108.6(5) . .
C36 C37 C38 121.6(5) . .
C36 C37 C18 119.6(4) . .
C38 C37 C18 106.8(4) . .
C57 C38 C39 119.9(4) . .
C57 C38 C37 118.8(4) . .
C39 C38 C37 109.2(4) . .
C40 C39 C38 122.4(4) . .
C40 C39 C19 120.2(4) . .
C38 C39 C19 108.3(4) . .
C41 C40 C39 117.1(4) . .
C41 C40 C59 117.8(4) . .
C39 C40 C59 118.4(4) . .
C40 C41 C21 120.4(4) . .
C40 C41 C42 121.9(4) . .
C21 C41 C42 108.6(4) . .
C43 C42 C23 120.2(5) . .
C43 C42 C41 120.3(4) . .
C23 C42 C41 108.4(4) . .
C42 C43 C44 120.0(5) . .
C42 C43 C60 119.3(4) . .
C44 C43 C60 109.1(4) . .
C45 C44 C43 120.3(5) . .
C45 C44 C62 120.1(5) . .
C43 C44 C62 106.3(4) . .
C44 C45 C46 120.4(5) . .
C44 C45 C24 118.7(5) . .
C46 C45 C24 108.7(5) . .
C47 C46 C45 119.9(5) . .
C47 C46 C26 119.6(5) . .
C45 C46 C26 108.0(5) . .
C46 C47 C48 119.8(5) . .
C46 C47 C63 119.8(5) . .
C48 C47 C63 106.6(5) . .
C28 C48 C47 120.1(5) . .
C28 C48 C49 119.5(5) . .
C47 C48 C49 108.9(4) . .
C50 C49 C48 122.0(4) . .
C50 C49 C64 121.0(4) . .
C48 C49 C64 108.0(4) . .
C51 C50 C49 116.2(4) . .
C51 C50 C30 119.0(4) . .
C49 C50 C30 118.2(4) . .
C50 C51 C66 121.4(4) . .
C50 C51 C52 121.8(4) . .
C66 C51 C52 107.9(4) . .
C32 C52 C53 119.6(5) . .
C32 C52 C51 119.7(4) . .
C53 C52 C51 108.7(4) . .
C54 C53 C67 120.5(4) . .
C54 C53 C52 120.9(4) . .
C67 C53 C52 106.5(4) . .
C53 C54 C55 120.7(4) . .
C53 C54 C34 118.6(4) . .
C55 C54 C34 108.1(5) . .
C56 C55 C54 119.2(5) . .
C56 C55 C36 120.1(5) . .
C54 C55 C36 108.5(4) . .
C55 C56 C68 120.8(4) . .
C55 C56 C57 119.9(5) . .
C68 C56 C57 106.5(4) . .
C38 C57 C56 120.7(4) . .
C38 C57 C58 118.4(4) . .
C56 C57 C58 109.3(4) . .
C59 C58 C69 121.0(4) . .
C59 C58 C57 123.4(4) . .
C69 C58 C57 106.9(4) . .
C58 C59 C60 116.8(4) . .
C58 C59 C40 117.2(4) . .
C60 C59 C40 119.1(4) . .
C59 C60 C61 121.1(4) . .
C59 C60 C43 121.4(4) . .
C61 C60 C43 107.8(4) . .
C70 C61 C62 122.5(4) . .
C70 C61 C60 120.5(4) . .
C62 C61 C60 108.2(4) . .
C63 C62 C61 120.0(4) . .
C63 C62 C44 119.5(5) . .
C61 C62 C44 108.7(4) . .
C62 C63 C64 119.5(4) . .
C62 C63 C47 120.4(5) . .
C64 C63 C47 109.0(4) . .
C65 C64 C63 122.1(4) . .
C65 C64 C49 121.1(4) . .
C63 C64 C49 107.4(4) . .
C66 C65 C64 115.6(4) . .
C66 C65 C70 118.9(4) . .
C64 C65 C70 118.2(4) . .
C65 C66 C51 122.3(4) . .
C65 C66 C67 121.5(4) . .
C51 C66 C67 107.0(4) . .
C68 C67 C53 119.1(4) . .
C68 C67 C66 119.4(4) . .
C53 C67 C66 109.9(4) . .
C67 C68 C69 119.4(4) . .
C67 C68 C56 119.8(4) . .
C69 C68 C56 109.0(4) . .
C70 C69 C58 121.3(4) . .
C70 C69 C68 122.3(4) . .
C58 C69 C68 108.3(4) . .
C69 C70 C61 117.4(4) . .
C69 C70 C65 117.9(4) . .
C61 C70 C65 117.4(4) . .
C72 C71 C76 121.2(4) . .
C72 C71 C79 121.3(4) . .
C76 C71 C79 108.0(4) . .
C73 C72 C71 116.3(4) . .
C73 C72 C82 118.2(4) . .
C71 C72 C82 118.8(4) . .
C72 C73 C74 121.2(4) . .
C72 C73 C85 122.2(4) . .
C74 C73 C85 107.2(4) . .
C75 C74 C73 121.2(4) . .
C75 C74 C87 122.1(4) . .
C73 C74 C87 108.4(4) . .
C76 C75 C74 116.1(4) . .
C76 C75 C90 118.7(4) . .
C74 C75 C90 118.0(4) . .
C75 C76 C71 121.7(4) . .
C75 C76 C77 120.8(4) . .
C71 C76 C77 108.5(4) . .
C92 C77 C76 120.8(4) . .
C92 C77 C78 120.2(4) . .
C76 C77 C78 107.6(4) . .
C95 C78 C79 120.4(4) . .
C95 C78 C77 119.8(4) . .
C79 C78 C77 107.1(4) . .
C80 C79 C78 120.2(4) . .
C80 C79 C71 119.8(4) . .
C78 C79 C71 108.7(4) . .
C79 C80 C81 120.0(4) . .
C79 C80 C97 119.6(4) . .
C81 C80 C97 108.6(3) . .
C82 C81 C99 120.8(3) . .
C82 C81 C80 121.5(4) . .
C99 C81 C80 108.2(3) . .
C83 C82 C81 116.3(4) . .
C83 C82 C72 118.8(4) . .
C81 C82 C72 118.4(4) . .
C82 C83 C84 121.3(4) . .
C82 C83 C101 121.1(4) . .
C84 C83 C101 108.2(3) . .
C85 C84 C83 120.5(4) . .
C85 C84 C103 119.9(4) . .
C83 C84 C103 108.5(4) . .
C84 C85 C86 120.0(4) . .
C84 C85 C73 118.7(4) . .
C86 C85 C73 108.8(4) . .
C105 C86 C87 120.3(4) . .
C105 C86 C85 120.2(4) . .
C87 C86 C85 107.1(4) . .
C88 C87 C86 120.7(4) . .
C88 C87 C74 119.2(4) . .
C86 C87 C74 108.5(3) . .
C87 C88 C107 119.6(4) . .
C87 C88 C89 120.4(4) . .
C107 C88 C89 108.1(3) . .
C90 C89 C109 121.3(4) . .
C90 C89 C88 121.2(4) . .
C109 C89 C88 108.5(3) . .
C91 C90 C89 115.8(4) . .
C91 C90 C75 118.9(4) . .
C89 C90 C75 118.6(4) . .
C90 C91 C111 121.9(4) . .
C90 C91 C92 121.3(4) . .
C111 C91 C92 107.1(4) . .
C77 C92 C93 119.9(4) . .
C77 C92 C91 119.3(4) . .
C93 C92 C91 109.3(4) . .
C94 C93 C92 120.3(4) . .
C94 C93 C112 120.4(4) . .
C92 C93 C112 106.6(4) . .
C93 C94 C95 120.6(4) . .
C93 C94 C115 119.5(4) . .
C95 C94 C115 107.9(4) . .
C78 C95 C94 119.2(4) . .
C78 C95 C96 119.5(4) . .
C94 C95 C96 108.6(4) . .
C97 C96 C116 119.9(4) . .
C97 C96 C95 119.8(4) . .
C116 C96 C95 107.8(4) . .
C96 C97 C98 120.5(4) . .
C96 C97 C80 120.4(4) . .
C98 C97 C80 106.7(3) . .
C118 C98 C99 120.0(4) . .
C118 C98 C97 119.8(4) . .
C99 C98 C97 108.8(3) . .
C100 C99 C81 121.1(4) . .
C100 C99 C98 121.7(4) . .
C81 C99 C98 107.7(3) . .
C99 C100 C101 117.4(4) . .
C99 C100 C120 118.1(4) . .
C101 C100 C120 117.9(3) . .
C100 C101 C83 120.7(4) . .
C100 C101 C102 122.8(4) . .
C83 C101 C102 107.4(3) . .
C122 C102 C103 120.1(4) . .
C122 C102 C101 118.9(4) . .
C103 C102 C101 109.4(4) . .
C104 C103 C102 120.8(4) . .
C104 C103 C84 119.7(4) . .
C102 C103 C84 106.5(3) . .
C103 C104 C105 120.5(4) . .
C103 C104 C124 119.6(4) . .
C105 C104 C124 107.5(3) . .
C86 C105 C106 119.0(4) . .
C86 C105 C104 119.7(4) . .
C106 C105 C104 108.7(3) . .
C107 C106 C105 120.6(4) . .
C107 C106 C125 119.4(4) . .
C105 C106 C125 107.6(3) . .
C106 C107 C108 120.5(4) . .
C106 C107 C88 119.8(4) . .
C108 C107 C88 107.0(3) . .
C127 C108 C107 119.9(4) . .
C127 C108 C109 119.6(3) . .
C107 C108 C109 109.3(3) . .
C110 C109 C89 120.5(3) . .
C110 C109 C108 122.3(4) . .
C89 C109 C108 107.1(3) . .
C111 C110 C109 117.3(4) . .
C111 C110 C129 118.6(3) . .
C109 C110 C129 118.1(3) . .
C110 C111 C91 120.4(4) . .
C110 C111 C112 121.4(4) . .
C91 C111 C112 108.2(4) . .
C113 C112 C111 120.3(4) . .
C113 C112 C93 119.9(4) . .
C111 C112 C93 108.8(4) . .
C112 C113 C114 120.1(4) . .
C112 C113 C130 119.3(4) . .
C114 C113 C130 109.1(4) . .
C115 C114 C113 120.6(4) . .
C115 C114 C132 120.1(4) . .
C113 C114 C132 106.4(3) . .
C114 C115 C116 120.4(4) . .
C114 C115 C94 119.5(4) . .
C116 C115 C94 107.2(4) . .
C117 C116 C96 119.4(4) . .
C117 C116 C115 119.2(4) . .
C96 C116 C115 108.6(4) . .
C116 C117 C133 119.6(4) . .
C116 C117 C118 119.8(4) . .
C133 C117 C118 108.0(4) . .
C98 C118 C117 120.5(4) . .
C98 C118 C119 120.3(4) . .
C117 C118 C119 107.3(4) . .
C134 C119 C120 121.7(3) . .
C134 C119 C118 108.4(3) . .
C120 C119 C118 120.3(4) . .
C121 C120 C119 115.8(4) . .
C121 C120 C100 118.3(3) . .
C119 C120 C100 119.2(3) . .
C120 C121 C136 121.1(4) . .
C120 C121 C122 121.8(4) . .
C136 C121 C122 107.8(3) . .
C102 C122 C121 120.0(3) . .
C102 C122 C123 119.4(4) . .
C121 C122 C123 108.8(4) . .
C124 C123 C137 120.7(4) . .
C124 C123 C122 120.4(4) . .
C137 C123 C122 106.8(3) . .
C123 C124 C125 119.2(4) . .
C123 C124 C104 119.6(4) . .
C125 C124 C104 108.4(4) . .
C126 C125 C124 120.5(4) . .
C126 C125 C106 119.5(3) . .
C124 C125 C106 107.8(3) . .
C125 C126 C127 120.4(3) . .
C125 C126 C138 119.6(3) . .
C127 C126 C138 107.2(3) . .
C108 C127 C126 120.2(4) . .
C108 C127 C128 119.8(3) . .
C126 C127 C128 108.6(3) . .
C129 C128 C139 121.7(3) . .
C129 C128 C127 121.3(3) . .
C139 C128 C127 107.4(3) . .
C130 C129 C128 115.9(4) . .
C130 C129 C110 118.3(3) . .
C128 C129 C110 118.7(3) . .
C129 C130 C131 122.0(4) . .
C129 C130 C113 121.9(4) . .
C131 C130 C113 107.2(4) . .
C140 C131 C130 121.2(4) . .
C140 C131 C132 121.1(4) . .
C130 C131 C132 108.7(4) . .
C133 C132 C131 120.3(4) . .
C133 C132 C114 119.4(4) . .
C131 C132 C114 108.5(4) . .
C132 C133 C117 121.2(4) . .
C132 C133 C134 119.6(4) . .
C117 C133 C134 108.0(4) . .
C119 C134 C135 121.7(4) . .
C119 C134 C133 108.2(3) . .
C135 C134 C133 120.8(4) . .
C134 C135 C136 116.0(4) . .
C134 C135 C140 119.4(4) . .
C136 C135 C140 118.1(3) . .
C135 C136 C121 121.1(4) . .
C135 C136 C137 121.7(4) . .
C121 C136 C137 108.0(4) . .
C138 C137 C123 119.9(4) . .
C138 C137 C136 119.9(4) . .
C123 C137 C136 108.7(4) . .
C137 C138 C139 119.7(4) . .
C137 C138 C126 120.1(4) . .
C139 C138 C126 108.6(3) . .
C140 C139 C128 120.9(3) . .
C140 C139 C138 121.5(4) . .
C128 C139 C138 108.2(3) . .
C139 C140 C131 115.9(4) . .
C139 C140 C135 118.9(4) . .
C131 C140 C135 118.4(4) . .
C146 C141 C142 120.6(3) . .
C146 C141 Br1 119.7(3) . .
C142 C141 Br1 119.7(3) . .
C143 C142 C141 119.0(3) . .
C143 C142 Br2 121.2(3) . .
C141 C142 Br2 119.8(3) . .
C144 C143 C142 121.0(3) . .
C144 C143 Br3 119.8(3) . .
C142 C143 Br3 119.2(3) . .
C143 C144 C145 120.1(3) . .
C143 C144 Br4 120.2(3) . .
C145 C144 Br4 119.6(3) . .
C144 C145 C146 119.6(3) . .
C144 C145 Br5 120.5(3) . .
C146 C145 Br5 119.9(3) . .
C141 C146 C145 119.6(3) . .
C141 C146 Br6 120.3(3) . .
C145 C146 Br6 120.1(3) . .
C148 C147 C149 120.1(3) . 2_776
C148 C147 Br7 120.1(3) . .
C149 C147 Br7 119.8(3) 2_776 .
C147 C148 C149 120.0(3) . .
C147 C148 Br8 120.1(3) . .
C149 C148 Br8 119.9(3) . .
C148 C149 C147 119.9(3) . 2_776
C148 C149 Br9 120.3(3) . .
C147 C149 Br9 119.8(3) 2_776 .
C151 C150 C152 120.1(3) . 2
C151 C150 Br10 120.2(3) . .
C152 C150 Br10 119.7(3) 2 .
C150 C151 C152 120.0(3) . .
C150 C151 Br11 119.9(3) . .
C152 C151 Br11 120.1(3) . .
C151 C152 C150 119.8(3) . 2
C151 C152 Br12 119.8(3) . .
C150 C152 Br12 120.4(3) 2 .
C154 C153 C158 120.0 . .
C154 C153 H153 120.0 . .
C158 C153 H153 120.0 . .
C153 C154 C155 120.0 . .
C153 C154 H154 120.0 . .
C155 C154 H154 120.0 . .
C156 C155 C154 120.0 . .
C156 C155 H155 120.0 . .
C154 C155 H155 120.0 . .
C155 C156 C157 120.0 . .
C155 C156 H156 120.0 . .
C157 C156 H156 120.0 . .
C156 C157 C158 120.0 . .
C156 C157 H157 120.0 . .
C158 C157 H157 120.0 . .
C157 C158 C153 120.0 . .
C157 C158 H158 120.0 . .
C153 C158 H158 120.0 . .
C160 C159 C164 120.0 . .
C160 C159 H159 120.0 . .
C164 C159 H159 120.0 . .
C159 C160 C161 120.0 . .
C159 C160 H160 120.0 . .
C161 C160 H160 120.0 . .
C162 C161 C160 120.0 . .
C162 C161 H161 120.0 . .
C160 C161 H161 120.0 . .
C161 C162 C163 120.0 . .
C161 C162 H162 120.0 . .
C163 C162 H162 120.0 . .
C164 C163 C162 120.0 . .
C164 C163 H163 120.0 . .
C162 C163 H163 120.0 . .
C163 C164 C159 120.0 . .
C163 C164 H164 120.0 . .
C159 C164 H164 120.0 . .
C166 C165 C170 120.2(5) . .
C166 C165 H165 119.9 . .
C170 C165 H165 119.9 . .
C167 C166 C165 120.1(5) . .
C167 C166 H166 119.9 . .
C165 C166 H166 119.9 . .
C166 C167 C168 120.1(5) . .
C166 C167 H167 120.0 . .
C168 C167 H167 120.0 . .
C169 C168 C167 119.9(5) . .
C169 C168 H168 120.0 . .
C167 C168 H168 120.0 . .
C168 C169 C170 119.5(5) . .
C168 C169 H169 120.2 . .
C170 C169 H169 120.2 . .
C165 C170 C169 120.1(5) . .
C165 C170 H170 120.0 . .
C169 C170 H170 120.0 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 C2 1.405(6) .
C1 C9 1.436(6) .
C1 C6 1.437(6) .
C2 C3 1.426(6) .
C2 C12 1.451(6) .
C3 C4 1.421(6) .
C3 C15 1.447(6) .
C4 C5 1.403(6) .
C4 C17 1.444(6) .
C5 C6 1.418(6) .
C5 C20 1.481(6) .
C6 C7 1.432(6) .
C7 C22 1.383(6) .
C7 C8 1.457(7) .
C8 C25 1.386(7) .
C8 C9 1.443(6) .
C9 C10 1.383(7) .
C10 C27 1.452(7) .
C10 C11 1.456(6) .
C11 C12 1.411(6) .
C11 C29 1.425(6) .
C12 C13 1.411(6) .
C13 C14 1.435(6) .
C13 C31 1.450(6) .
C14 C15 1.363(7) .
C14 C33 1.472(7) .
C15 C16 1.470(6) .
C16 C35 1.372(7) .
C16 C17 1.432(7) .
C17 C18 1.388(6) .
C18 C19 1.440(7) .
C18 C37 1.451(7) .
C19 C20 1.398(6) .
C19 C39 1.439(6) .
C20 C21 1.409(7) .
C21 C22 1.436(7) .
C21 C41 1.438(6) .
C22 C23 1.457(7) .
C23 C24 1.370(7) .
C23 C42 1.431(7) .
C24 C25 1.452(7) .
C24 C45 1.460(8) .
C25 C26 1.437(8) .
C26 C27 1.382(7) .
C26 C46 1.461(7) .
C27 C28 1.421(7) .
C28 C48 1.387(7) .
C28 C29 1.456(6) .
C29 C30 1.392(7) .
C30 C31 1.411(7) .
C30 C50 1.476(6) .
C31 C32 1.450(6) .
C32 C52 1.384(6) .
C32 C33 1.418(7) .
C33 C34 1.370(7) .
C34 C35 1.460(7) .
C34 C54 1.466(7) .
C35 C36 1.444(7) .
C36 C37 1.394(7) .
C36 C55 1.445(7) .
C37 C38 1.431(6) .
C38 C57 1.394(6) .
C38 C39 1.422(6) .
C39 C40 1.419(6) .
C40 C41 1.408(6) .
C40 C59 1.470(6) .
C41 C42 1.442(7) .
C42 C43 1.381(7) .
C43 C44 1.437(7) .
C43 C60 1.442(6) .
C44 C45 1.395(7) .
C44 C62 1.462(7) .
C45 C46 1.439(7) .
C46 C47 1.403(8) .
C47 C48 1.436(7) .
C47 C63 1.456(7) .
C48 C49 1.437(7) .
C49 C50 1.420(7) .
C49 C64 1.448(6) .
C50 C51 1.398(6) .
C51 C66 1.440(6) .
C51 C52 1.457(7) .
C52 C53 1.442(6) .
C53 C54 1.381(7) .
C53 C67 1.441(6) .
C54 C55 1.428(7) .
C55 C56 1.389(6) .
C56 C68 1.436(6) .
C56 C57 1.438(6) .
C57 C58 1.444(6) .
C58 C59 1.408(6) .
C58 C69 1.433(6) .
C59 C60 1.417(6) .
C60 C61 1.434(6) .
C61 C70 1.416(6) .
C61 C62 1.429(6) .
C62 C63 1.388(7) .
C63 C64 1.429(7) .
C64 C65 1.422(6) .
C65 C66 1.395(6) .
C65 C70 1.480(6) .
C66 C67 1.445(6) .
C67 C68 1.397(6) .
C68 C69 1.433(6) .
C69 C70 1.398(6) .
C71 C72 1.416(6) .
C71 C76 1.421(6) .
C71 C79 1.449(6) .
C72 C73 1.407(6) .
C72 C82 1.463(6) .
C73 C74 1.431(6) .
C73 C85 1.452(6) .
C74 C75 1.416(6) .
C74 C87 1.449(6) .
C75 C76 1.411(6) .
C75 C90 1.473(6) .
C76 C77 1.453(6) .
C77 C92 1.373(6) .
C77 C78 1.457(6) .
C78 C95 1.398(6) .
C78 C79 1.440(6) .
C79 C80 1.382(5) .
C80 C81 1.441(5) .
C80 C97 1.453(6) .
C81 C82 1.423(6) .
C81 C99 1.436(5) .
C82 C83 1.421(5) .
C83 C84 1.430(6) .
C83 C101 1.436(6) .
C84 C85 1.388(6) .
C84 C103 1.456(6) .
C85 C86 1.444(6) .
C86 C105 1.392(6) .
C86 C87 1.436(6) .
C87 C88 1.376(6) .
C88 C107 1.448(6) .
C88 C89 1.449(6) .
C89 C90 1.416(5) .
C89 C109 1.439(5) .
C90 C91 1.409(6) .
C91 C111 1.433(6) .
C91 C92 1.459(6) .
C92 C93 1.437(6) .
C93 C94 1.389(6) .
C93 C112 1.449(6) .
C94 C95 1.434(6) .
C94 C115 1.459(6) .
C95 C96 1.445(6) .
C96 C97 1.391(6) .
C96 C116 1.436(6) .
C97 C98 1.448(5) .
C98 C118 1.368(6) .
C98 C99 1.447(5) .
C99 C100 1.405(5) .
C100 C101 1.413(6) .
C100 C120 1.471(5) .
C101 C102 1.438(5) .
C102 C122 1.388(6) .
C102 C103 1.432(6) .
C103 C104 1.384(5) .
C104 C105 1.446(6) .
C104 C124 1.451(6) .
C105 C106 1.443(5) .
C106 C107 1.388(5) .
C106 C125 1.458(5) .
C107 C108 1.442(5) .
C108 C127 1.379(5) .
C108 C109 1.444(5) .
C109 C110 1.405(5) .
C110 C111 1.404(5) .
C110 C129 1.480(5) .
C111 C112 1.447(6) .
C112 C113 1.376(6) .
C113 C114 1.443(6) .
C113 C130 1.452(5) .
C114 C115 1.385(6) .
C114 C132 1.447(6) .
C115 C116 1.448(6) .
C116 C117 1.411(6) .
C117 C133 1.428(6) .
C117 C118 1.443(6) .
C118 C119 1.453(5) .
C119 C134 1.410(6) .
C119 C120 1.417(5) .
C120 C121 1.414(5) .
C121 C136 1.433(6) .
C121 C122 1.440(6) .
C122 C123 1.453(5) .
C123 C124 1.386(6) .
C123 C137 1.437(6) .
C124 C125 1.445(5) .
C125 C126 1.388(5) .
C126 C127 1.440(5) .
C126 C138 1.446(5) .
C127 C128 1.457(5) .
C128 C129 1.408(5) .
C128 C139 1.436(5) .
C129 C130 1.403(5) .
C130 C131 1.423(6) .
C131 C140 1.420(6) .
C131 C132 1.442(6) .
C132 C133 1.389(6) .
C133 C134 1.452(6) .
C134 C135 1.413(5) .
C135 C136 1.414(6) .
C135 C140 1.467(5) .
C136 C137 1.448(5) .
C137 C138 1.383(6) .
C138 C139 1.443(5) .
C139 C140 1.416(5) .
C141 C146 1.392(5) .
C141 C142 1.401(5) .
C141 Br1 1.882(3) .
C142 C143 1.390(5) .
C142 Br2 1.873(4) .
C143 C144 1.384(5) .
C143 Br3 1.885(4) .
C144 C145 1.393(5) .
C144 Br4 1.876(3) .
C145 C146 1.406(5) .
C145 Br5 1.871(3) .
C146 Br6 1.872(3) .
C147 C148 1.386(5) .
C147 C149 1.398(5) 2_776
C147 Br7 1.876(3) .
C148 C149 1.394(5) .
C148 Br8 1.878(4) .
C149 C147 1.398(5) 2_776
C149 Br9 1.881(4) .
C150 C151 1.391(5) .
C150 C152 1.397(5) 2
C150 Br10 1.879(3) .
C151 C152 1.396(5) .
C151 Br11 1.870(3) .
C152 C150 1.397(5) 2
C152 Br12 1.877(3) .
C153 C154 1.3900 .
C153 C158 1.3900 .
C153 H153 0.9500 .
C154 C155 1.3900 .
C154 H154 0.9500 .
C155 C156 1.3900 .
C155 H155 0.9500 .
C156 C157 1.3900 .
C156 H156 0.9500 .
C157 C158 1.3900 .
C157 H157 0.9500 .
C158 H158 0.9500 .
C159 C160 1.3900 .
C159 C164 1.3900 .
C159 H159 0.9500 .
C160 C161 1.3900 .
C160 H160 0.9500 .
C161 C162 1.3900 .
C161 H161 0.9500 .
C162 C163 1.3900 .
C162 H162 0.9500 .
C163 C164 1.3900 .
C163 H163 0.9500 .
C164 H164 0.9500 .
C165 C166 1.378(8) .
C165 C170 1.379(6) .
C165 H165 0.9500 .
C166 C167 1.377(8) .
C166 H166 0.9500 .
C167 C168 1.387(8) .
C167 H167 0.9500 .
C168 C169 1.386(7) .
C168 H168 0.9500 .
C169 C170 1.389(6) .
C169 H169 0.9500 .
C170 H170 0.9500 .
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
C169 H169 Br12 0.95 3.21 4.037(5) 147.0 1_665
C156 H156 Br6 0.95 3.05 3.883(7) 147.1 1_445
C163 H163 Br6 0.95 3.20 3.843(7) 126.7 1_445
C161 H161 Br9 0.95 3.21 4.105(6) 157.5 2_666
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
C9 C1 C2 C3 155.1(4) . .
C6 C1 C2 C3 11.8(6) . .
C9 C1 C2 C12 4.5(6) . .
C6 C1 C2 C12 -138.8(4) . .
C1 C2 C3 C4 -12.8(6) . .
C12 C2 C3 C4 138.1(4) . .
C1 C2 C3 C15 -155.4(4) . .
C12 C2 C3 C15 -4.5(6) . .
C2 C3 C4 C5 1.7(6) . .
C15 C3 C4 C5 148.7(4) . .
C2 C3 C4 C17 -147.6(4) . .
C15 C3 C4 C17 -0.6(4) . .
C3 C4 C5 C6 10.4(6) . .
C17 C4 C5 C6 155.8(4) . .
C3 C4 C5 C20 -139.2(4) . .
C17 C4 C5 C20 6.2(6) . .
C4 C5 C6 C7 -154.8(4) . .
C20 C5 C6 C7 -5.3(6) . .
C4 C5 C6 C1 -11.4(6) . .
C20 C5 C6 C1 138.1(4) . .
C2 C1 C6 C5 0.2(6) . .
C9 C1 C6 C5 -147.8(4) . .
C2 C1 C6 C7 147.7(4) . .
C9 C1 C6 C7 -0.3(4) . .
C5 C6 C7 C22 5.4(6) . .
C1 C6 C7 C22 -142.1(4) . .
C5 C6 C7 C8 148.4(4) . .
C1 C6 C7 C8 1.0(4) . .
C22 C7 C8 C25 1.5(6) . .
C6 C7 C8 C25 -141.8(4) . .
C22 C7 C8 C9 142.0(4) . .
C6 C7 C8 C9 -1.3(4) . .
C2 C1 C9 C10 -4.5(6) . .
C6 C1 C9 C10 143.1(4) . .
C2 C1 C9 C8 -148.1(4) . .
C6 C1 C9 C8 -0.5(4) . .
C25 C8 C9 C10 -1.0(6) . .
C7 C8 C9 C10 -141.8(4) . .
C25 C8 C9 C1 141.9(4) . .
C7 C8 C9 C1 1.1(4) . .
C1 C9 C10 C27 -139.1(4) . .
C8 C9 C10 C27 0.2(6) . .
C1 C9 C10 C11 -0.6(6) . .
C8 C9 C10 C11 138.6(4) . .
C9 C10 C11 C12 5.8(6) . .
C27 C10 C11 C12 148.5(4) . .
C9 C10 C11 C29 -142.4(4) . .
C27 C10 C11 C29 0.3(4) . .
C29 C11 C12 C13 -11.8(5) . .
C10 C11 C12 C13 -155.4(4) . .
C29 C11 C12 C2 137.9(4) . .
C10 C11 C12 C2 -5.7(5) . .
C1 C2 C12 C11 0.6(5) . .
C3 C2 C12 C11 -149.4(4) . .
C1 C2 C12 C13 149.4(4) . .
C3 C2 C12 C13 -0.6(5) . .
C11 C12 C13 C14 154.4(4) . .
C2 C12 C13 C14 4.8(6) . .
C11 C12 C13 C31 11.2(5) . .
C2 C12 C13 C31 -138.4(4) . .
C12 C13 C14 C15 -4.0(6) . .
C31 C13 C14 C15 143.2(4) . .
C12 C13 C14 C33 -147.6(4) . .
C31 C13 C14 C33 -0.4(4) . .
C13 C14 C15 C3 -1.2(6) . .
C33 C14 C15 C3 137.9(4) . .
C13 C14 C15 C16 -138.8(4) . .
C33 C14 C15 C16 0.2(6) . .
C4 C3 C15 C14 -141.6(4) . .
C2 C3 C15 C14 5.4(6) . .
C4 C3 C15 C16 0.5(4) . .
C2 C3 C15 C16 147.6(4) . .
C14 C15 C16 C35 -0.8(6) . .
C3 C15 C16 C35 -142.9(4) . .
C14 C15 C16 C17 141.9(4) . .
C3 C15 C16 C17 -0.2(4) . .
C35 C16 C17 C18 -0.8(6) . .
C15 C16 C17 C18 -142.7(4) . .
C35 C16 C17 C4 141.8(4) . .
C15 C16 C17 C4 -0.2(5) . .
C5 C4 C17 C18 -6.1(6) . .
C3 C4 C17 C18 143.1(4) . .
C5 C4 C17 C16 -148.7(4) . .
C3 C4 C17 C16 0.5(5) . .
C16 C17 C18 C19 138.9(4) . .
C4 C17 C18 C19 0.5(6) . .
C16 C17 C18 C37 1.0(6) . .
C4 C17 C18 C37 -137.4(4) . .
C17 C18 C19 C20 5.0(6) . .
C37 C18 C19 C20 147.1(4) . .
C17 C18 C19 C39 -142.4(4) . .
C37 C18 C19 C39 -0.2(5) . .
C39 C19 C20 C21 -12.8(6) . .
C18 C19 C20 C21 -155.4(4) . .
C39 C19 C20 C5 138.0(4) . .
C18 C19 C20 C5 -4.7(6) . .
C4 C5 C20 C19 -0.8(6) . .
C6 C5 C20 C19 -149.9(4) . .
C4 C5 C20 C21 149.4(4) . .
C6 C5 C20 C21 0.3(5) . .
C19 C20 C21 C22 155.7(4) . .
C5 C20 C21 C22 4.7(6) . .
C19 C20 C21 C41 12.8(6) . .
C5 C20 C21 C41 -138.2(4) . .
C6 C7 C22 C21 -0.3(6) . .
C8 C7 C22 C21 -139.1(4) . .
C6 C7 C22 C23 138.2(4) . .
C8 C7 C22 C23 -0.5(6) . .
C20 C21 C22 C7 -4.8(6) . .
C41 C21 C22 C7 142.7(4) . .
C20 C21 C22 C23 -147.5(4) . .
C41 C21 C22 C23 0.0(5) . .
C7 C22 C23 C24 0.1(6) . .
C21 C22 C23 C24 142.7(4) . .
C7 C22 C23 C42 -142.0(4) . .
C21 C22 C23 C42 0.6(5) . .
C42 C23 C24 C25 136.4(5) . .
C22 C23 C24 C25 -0.6(7) . .
C42 C23 C24 C45 -0.6(6) . .
C22 C23 C24 C45 -137.6(4) . .
C9 C8 C25 C26 1.8(6) . .
C7 C8 C25 C26 137.3(4) . .
C9 C8 C25 C24 -137.5(4) . .
C7 C8 C25 C24 -2.0(6) . .
C23 C24 C25 C8 1.6(7) . .
C45 C24 C25 C8 143.7(4) . .
C23 C24 C25 C26 -141.4(4) . .
C45 C24 C25 C26 0.7(5) . .
C8 C25 C26 C27 -1.9(7) . .
C24 C25 C26 C27 141.0(4) . .
C8 C25 C26 C46 -143.5(4) . .
C24 C25 C26 C46 -0.7(5) . .
C25 C26 C27 C28 -135.4(5) . .
C46 C26 C27 C28 2.0(6) . .
C25 C26 C27 C10 1.0(7) . .
C46 C26 C27 C10 138.5(4) . .
C9 C10 C27 C26 -0.2(6) . .
C11 C10 C27 C26 -142.9(4) . .
C9 C10 C27 C28 141.9(4) . .
C11 C10 C27 C28 -0.8(5) . .
C26 C27 C28 C48 -1.8(6) . .
C10 C27 C28 C48 -142.6(4) . .
C26 C27 C28 C29 141.8(4) . .
C10 C27 C28 C29 1.0(5) . .
C12 C11 C29 C30 0.2(6) . .
C10 C11 C29 C30 147.9(4) . .
C12 C11 C29 C28 -147.5(4) . .
C10 C11 C29 C28 0.2(4) . .
C48 C28 C29 C30 -4.0(6) . .
C27 C28 C29 C30 -148.0(4) . .
C48 C28 C29 C11 143.1(4) . .
C27 C28 C29 C11 -0.8(5) . .
C11 C29 C30 C31 12.1(6) . .
C28 C29 C30 C31 155.0(4) . .
C11 C29 C30 C50 -138.4(4) . .
C28 C29 C30 C50 4.5(6) . .
C29 C30 C31 C32 -154.1(4) . .
C50 C30 C31 C32 -3.4(6) . .
C29 C30 C31 C13 -12.5(6) . .
C50 C30 C31 C13 138.1(4) . .
C12 C13 C31 C30 0.8(6) . .
C14 C13 C31 C30 -146.9(4) . .
C12 C13 C31 C32 147.5(4) . .
C14 C13 C31 C32 -0.2(4) . .
C30 C31 C32 C52 3.2(6) . .
C13 C31 C32 C52 -142.8(4) . .
C30 C31 C32 C33 146.7(4) . .
C13 C31 C32 C33 0.6(4) . .
C52 C32 C33 C34 0.3(6) . .
C31 C32 C33 C34 -142.8(4) . .
C52 C32 C33 C14 142.3(4) . .
C31 C32 C33 C14 -0.8(4) . .
C15 C14 C33 C34 0.4(6) . .
C13 C14 C33 C34 143.8(4) . .
C15 C14 C33 C32 -142.6(4) . .
C13 C14 C33 C32 0.7(4) . .
C32 C33 C34 C35 137.1(5) . .
C14 C33 C34 C35 -0.5(6) . .
C32 C33 C34 C54 0.0(6) . .
C14 C33 C34 C54 -137.6(4) . .
C17 C16 C35 C36 0.3(6) . .
C15 C16 C35 C36 137.6(4) . .
C17 C16 C35 C34 -136.5(4) . .
C15 C16 C35 C34 0.7(6) . .
C33 C34 C35 C16 -0.1(6) . .
C54 C34 C35 C16 141.5(4) . .
C33 C34 C35 C36 -141.5(4) . .
C54 C34 C35 C36 0.1(5) . .
C16 C35 C36 C37 -0.2(6) . .
C34 C35 C36 C37 141.6(4) . .
C16 C35 C36 C55 -141.8(4) . .
C34 C35 C36 C55 0.0(5) . .
C35 C36 C37 C38 -137.2(4) . .
C55 C36 C37 C38 0.5(6) . .
C35 C36 C37 C18 0.4(6) . .
C55 C36 C37 C18 138.1(4) . .
C17 C18 C37 C36 -0.8(6) . .
C19 C18 C37 C36 -142.9(4) . .
C17 C18 C37 C38 142.3(4) . .
C19 C18 C37 C38 0.2(5) . .
C36 C37 C38 C57 -0.4(6) . .
C18 C37 C38 C57 -142.6(4) . .
C36 C37 C38 C39 142.2(4) . .
C18 C37 C38 C39 -0.1(5) . .
C57 C38 C39 C40 -4.9(6) . .
C37 C38 C39 C40 -146.9(4) . .
C57 C38 C39 C19 142.0(4) . .
C37 C38 C39 C19 0.0(5) . .
C20 C19 C39 C40 0.6(6) . .
C18 C19 C39 C40 147.9(4) . .
C20 C19 C39 C38 -147.1(4) . .
C18 C19 C39 C38 0.2(4) . .
C38 C39 C40 C41 154.9(4) . .
C19 C39 C40 C41 11.8(5) . .
C38 C39 C40 C59 4.1(6) . .
C19 C39 C40 C59 -139.0(4) . .
C39 C40 C41 C21 -11.8(6) . .
C59 C40 C41 C21 139.2(4) . .
C39 C40 C41 C42 -155.0(4) . .
C59 C40 C41 C42 -4.0(6) . .
C20 C21 C41 C40 -0.6(6) . .
C22 C21 C41 C40 -148.2(4) . .
C20 C21 C41 C42 147.0(4) . .
C22 C21 C41 C42 -0.7(4) . .
C24 C23 C42 C43 1.2(6) . .
C22 C23 C42 C43 143.0(4) . .
C24 C23 C42 C41 -142.9(4) . .
C22 C23 C42 C41 -1.0(5) . .
C40 C41 C42 C43 4.1(6) . .
C21 C41 C42 C43 -142.9(4) . .
C40 C41 C42 C23 148.0(4) . .
C21 C41 C42 C23 1.0(5) . .
C23 C42 C43 C44 -0.5(6) . .
C41 C42 C43 C44 139.3(4) . .
C23 C42 C43 C60 -139.6(4) . .
C41 C42 C43 C60 0.1(6) . .
C42 C43 C44 C45 -0.8(6) . .
C60 C43 C44 C45 142.1(4) . .
C42 C43 C44 C62 -141.6(4) . .
C60 C43 C44 C62 1.2(5) . .
C43 C44 C45 C46 -136.9(5) . .
C62 C44 C45 C46 -1.3(6) . .
C43 C44 C45 C24 1.4(6) . .
C62 C44 C45 C24 136.9(5) . .
C23 C24 C45 C44 -0.7(6) . .
C25 C24 C45 C44 -143.1(4) . .
C23 C24 C45 C46 141.9(4) . .
C25 C24 C45 C46 -0.5(5) . .
C44 C45 C46 C47 0.1(6) . .
C24 C45 C46 C47 -141.7(4) . .
C44 C45 C46 C26 142.0(4) . .
C24 C45 C46 C26 0.1(5) . .
C27 C26 C46 C47 -0.5(6) . .
C25 C26 C46 C47 142.3(4) . .
C27 C26 C46 C45 -142.5(4) . .
C25 C26 C46 C45 0.3(5) . .
C45 C46 C47 C48 136.4(5) . .
C26 C46 C47 C48 -1.1(7) . .
C45 C46 C47 C63 1.3(6) . .
C26 C46 C47 C63 -136.1(5) . .
C27 C28 C48 C47 0.1(6) . .
C29 C28 C48 C47 -139.9(4) . .
C27 C28 C48 C49 139.4(4) . .
C29 C28 C48 C49 -0.7(6) . .
C46 C47 C48 C28 1.3(6) . .
C63 C47 C48 C28 141.5(4) . .
C46 C47 C48 C49 -141.8(4) . .
C63 C47 C48 C49 -1.5(5) . .
C28 C48 C49 C50 4.8(6) . .
C47 C48 C49 C50 148.1(4) . .
C28 C48 C49 C64 -142.6(4) . .
C47 C48 C49 C64 0.8(5) . .
C48 C49 C50 C51 -155.3(4) . .
C64 C49 C50 C51 -12.0(6) . .
C48 C49 C50 C30 -4.2(6) . .
C64 C49 C50 C30 139.0(4) . .
C29 C30 C50 C51 149.8(4) . .
C31 C30 C50 C51 -0.5(6) . .
C29 C30 C50 C49 -0.5(6) . .
C31 C30 C50 C49 -150.7(4) . .
C49 C50 C51 C66 12.1(6) . .
C30 C50 C51 C66 -138.7(4) . .
C49 C50 C51 C52 155.4(4) . .
C30 C50 C51 C52 4.6(6) . .
C33 C32 C52 C53 -0.3(6) . .
C31 C32 C52 C53 139.4(4) . .
C33 C32 C52 C51 -138.8(4) . .
C31 C32 C52 C51 0.9(6) . .
C50 C51 C52 C32 -4.9(6) . .
C66 C51 C52 C32 142.7(4) . .
C50 C51 C52 C53 -147.4(4) . .
C66 C51 C52 C53 0.2(5) . .
C32 C52 C53 C54 0.0(6) . .
C51 C52 C53 C54 142.5(4) . .
C32 C52 C53 C67 -142.5(4) . .
C51 C52 C53 C67 0.0(5) . .
C67 C53 C54 C55 0.4(6) . .
C52 C53 C54 C55 -137.0(4) . .
C67 C53 C54 C34 137.6(4) . .
C52 C53 C54 C34 0.3(6) . .
C33 C34 C54 C53 -0.3(6) . .
C35 C34 C54 C53 -142.3(4) . .
C33 C34 C54 C55 141.8(4) . .
C35 C34 C54 C55 -0.1(5) . .
C53 C54 C55 C56 -1.2(6) . .
C34 C54 C55 C56 -142.3(4) . .
C53 C54 C55 C36 141.3(4) . .
C34 C54 C55 C36 0.1(5) . .
C37 C36 C55 C56 -0.1(6) . .
C35 C36 C55 C56 141.9(4) . .
C37 C36 C55 C54 -142.2(4) . .
C35 C36 C55 C54 -0.1(5) . .
C54 C55 C56 C68 1.4(6) . .
C36 C55 C56 C68 -136.7(5) . .
C54 C55 C56 C57 137.8(4) . .
C36 C55 C56 C57 -0.3(6) . .
C39 C38 C57 C56 -138.6(4) . .
C37 C38 C57 C56 -0.1(6) . .
C39 C38 C57 C58 0.7(6) . .
C37 C38 C57 C58 139.2(4) . .
C55 C56 C57 C38 0.4(6) . .
C68 C56 C57 C38 142.2(4) . .
C55 C56 C57 C58 -142.1(4) . .
C68 C56 C57 C58 -0.3(4) . .
C38 C57 C58 C59 4.2(6) . .
C56 C57 C58 C59 147.8(4) . .
C38 C57 C58 C69 -143.4(4) . .
C56 C57 C58 C69 0.2(4) . .
C69 C58 C59 C60 -12.1(5) . .
C57 C58 C59 C60 -155.5(4) . .
C69 C58 C59 C40 138.5(4) . .
C57 C58 C59 C40 -4.9(5) . .
C41 C40 C59 C58 -149.9(4) . .
C39 C40 C59 C58 0.7(5) . .
C41 C40 C59 C60 0.0(5) . .
C39 C40 C59 C60 150.6(4) . .
C58 C59 C60 C61 12.4(5) . .
C40 C59 C60 C61 -137.7(4) . .
C58 C59 C60 C43 154.1(4) . .
C40 C59 C60 C43 4.1(6) . .
C42 C43 C60 C59 -4.2(6) . .
C44 C43 C60 C59 -147.4(4) . .
C42 C43 C60 C61 142.0(4) . .
C44 C43 C60 C61 -1.2(5) . .
C59 C60 C61 C70 -1.3(6) . .
C43 C60 C61 C70 -147.6(4) . .
C59 C60 C61 C62 146.9(4) . .
C43 C60 C61 C62 0.6(4) . .
C70 C61 C62 C63 5.0(6) . .
C60 C61 C62 C63 -142.4(4) . .
C70 C61 C62 C44 147.5(4) . .
C60 C61 C62 C44 0.1(5) . .
C45 C44 C62 C63 0.9(6) . .
C43 C44 C62 C63 141.9(4) . .
C45 C44 C62 C61 -141.8(4) . .
C43 C44 C62 C61 -0.8(5) . .
C61 C62 C63 C64 -0.8(6) . .
C44 C62 C63 C64 -139.4(4) . .
C61 C62 C63 C47 139.1(4) . .
C44 C62 C63 C47 0.5(6) . .
C46 C47 C63 C62 -1.7(6) . .
C48 C47 C63 C62 -141.9(4) . .
C46 C47 C63 C64 142.0(4) . .
C48 C47 C63 C64 1.7(5) . .
C62 C63 C64 C65 -4.0(6) . .
C47 C63 C64 C65 -148.1(4) . .
C62 C63 C64 C49 142.8(4) . .
C47 C63 C64 C49 -1.3(5) . .
C50 C49 C64 C65 -0.3(6) . .
C48 C49 C64 C65 147.5(4) . .
C50 C49 C64 C63 -147.4(4) . .
C48 C49 C64 C63 0.3(5) . .
C63 C64 C65 C66 154.8(4) . .
C49 C64 C65 C66 12.5(6) . .
C63 C64 C65 C70 4.7(6) . .
C49 C64 C65 C70 -137.6(4) . .
C64 C65 C66 C51 -12.6(6) . .
C70 C65 C66 C51 137.3(4) . .
C64 C65 C66 C67 -155.0(4) . .
C70 C65 C66 C67 -5.1(6) . .
C50 C51 C66 C65 0.3(6) . .
C52 C51 C66 C65 -147.4(4) . .
C50 C51 C66 C67 147.3(4) . .
C52 C51 C66 C67 -0.4(4) . .
C54 C53 C67 C68 0.1(6) . .
C52 C53 C67 C68 142.8(4) . .
C54 C53 C67 C66 -143.0(4) . .
C52 C53 C67 C66 -0.3(5) . .
C65 C66 C67 C68 4.8(6) . .
C51 C66 C67 C68 -142.5(4) . .
C65 C66 C67 C53 147.8(4) . .
C51 C66 C67 C53 0.4(4) . .
C53 C67 C68 C69 -138.7(4) . .
C66 C67 C68 C69 0.8(6) . .
C53 C67 C68 C56 0.1(6) . .
C66 C67 C68 C56 139.7(4) . .
C55 C56 C68 C67 -0.9(6) . .
C57 C56 C68 C67 -142.3(4) . .
C55 C56 C68 C69 141.8(4) . .
C57 C56 C68 C69 0.4(4) . .
C59 C58 C69 C70 0.7(6) . .
C57 C58 C69 C70 149.3(4) . .
C59 C58 C69 C68 -148.5(4) . .
C57 C58 C69 C68 0.1(4) . .
C67 C68 C69 C70 -6.3(6) . .
C56 C68 C69 C70 -149.2(4) . .
C67 C68 C69 C58 142.6(4) . .
C56 C68 C69 C58 -0.3(4) . .
C58 C69 C70 C61 10.6(5) . .
C68 C69 C70 C61 155.5(4) . .
C58 C69 C70 C65 -139.0(4) . .
C68 C69 C70 C65 5.9(6) . .
C62 C61 C70 C69 -153.8(4) . .
C60 C61 C70 C69 -10.3(6) . .
C62 C61 C70 C65 -4.1(6) . .
C60 C61 C70 C65 139.5(4) . .
C66 C65 C70 C69 -0.2(6) . .
C64 C65 C70 C69 148.9(4) . .
C66 C65 C70 C61 -149.8(4) . .
C64 C65 C70 C61 -0.7(6) . .
C76 C71 C72 C73 12.9(5) . .
C79 C71 C72 C73 155.2(4) . .
C76 C71 C72 C82 -138.0(4) . .
C79 C71 C72 C82 4.3(5) . .
C71 C72 C73 C74 -13.4(5) . .
C82 C72 C73 C74 137.7(4) . .
C71 C72 C73 C85 -155.5(4) . .
C82 C72 C73 C85 -4.4(6) . .
C72 C73 C74 C75 1.7(6) . .
C85 C73 C74 C75 148.7(3) . .
C72 C73 C74 C87 -147.2(4) . .
C85 C73 C74 C87 -0.2(4) . .
C73 C74 C75 C76 10.7(5) . .
C87 C74 C75 C76 155.4(3) . .
C73 C74 C75 C90 -139.4(4) . .
C87 C74 C75 C90 5.3(5) . .
C74 C75 C76 C71 -11.4(5) . .
C90 C75 C76 C71 138.6(4) . .
C74 C75 C76 C77 -154.6(3) . .
C90 C75 C76 C77 -4.7(5) . .
C72 C71 C76 C75 -0.5(6) . .
C79 C71 C76 C75 -147.2(4) . .
C72 C71 C76 C77 146.7(4) . .
C79 C71 C76 C77 0.0(4) . .
C75 C76 C77 C92 5.0(5) . .
C71 C76 C77 C92 -142.6(4) . .
C75 C76 C77 C78 148.4(3) . .
C71 C76 C77 C78 0.9(4) . .
C92 C77 C78 C95 0.4(5) . .
C76 C77 C78 C95 -143.3(3) . .
C92 C77 C78 C79 142.3(4) . .
C76 C77 C78 C79 -1.4(4) . .
C95 C78 C79 C80 -0.5(6) . .
C77 C78 C79 C80 -142.1(4) . .
C95 C78 C79 C71 143.0(4) . .
C77 C78 C79 C71 1.4(4) . .
C72 C71 C79 C80 -3.8(6) . .
C76 C71 C79 C80 142.8(4) . .
C72 C71 C79 C78 -147.6(4) . .
C76 C71 C79 C78 -0.9(4) . .
C78 C79 C80 C81 139.0(4) . .
C71 C79 C80 C81 -0.5(5) . .
C78 C79 C80 C97 0.4(5) . .
C71 C79 C80 C97 -139.2(4) . .
C79 C80 C81 C82 4.3(5) . .
C97 C80 C81 C82 147.1(3) . .
C79 C80 C81 C99 -142.2(4) . .
C97 C80 C81 C99 0.5(4) . .
C99 C81 C82 C83 -12.8(5) . .
C80 C81 C82 C83 -155.2(3) . .
C99 C81 C82 C72 138.7(4) . .
C80 C81 C82 C72 -3.8(5) . .
C73 C72 C82 C83 -0.1(5) . .
C71 C72 C82 C83 150.2(3) . .
C73 C72 C82 C81 -150.9(4) . .
C71 C72 C82 C81 -0.5(5) . .
C81 C82 C83 C84 155.6(3) . .
C72 C82 C83 C84 4.3(5) . .
C81 C82 C83 C101 13.0(5) . .
C72 C82 C83 C101 -138.4(4) . .
C82 C83 C84 C85 -3.9(5) . .
C101 C83 C84 C85 142.9(4) . .
C82 C83 C84 C103 -147.8(3) . .
C101 C83 C84 C103 -1.0(4) . .
C83 C84 C85 C86 -138.4(4) . .
C103 C84 C85 C86 1.4(5) . .
C83 C84 C85 C73 -0.5(5) . .
C103 C84 C85 C73 139.3(4) . .
C72 C73 C85 C84 4.8(6) . .
C74 C73 C85 C84 -141.8(4) . .
C72 C73 C85 C86 146.9(4) . .
C74 C73 C85 C86 0.3(4) . .
C84 C85 C86 C105 -0.9(6) . .
C73 C85 C86 C105 -142.5(4) . .
C84 C85 C86 C87 141.3(4) . .
C73 C85 C86 C87 -0.3(4) . .
C105 C86 C87 C88 -0.5(6) . .
C85 C86 C87 C88 -142.7(4) . .
C105 C86 C87 C74 142.3(4) . .
C85 C86 C87 C74 0.1(4) . .
C75 C74 C87 C88 -5.0(5) . .
C73 C74 C87 C88 143.6(4) . .
C75 C74 C87 C86 -148.5(4) . .
C73 C74 C87 C86 0.1(4) . .
C86 C87 C88 C107 0.3(6) . .
C74 C87 C88 C107 -138.7(4) . .
C86 C87 C88 C89 138.7(4) . .
C74 C87 C88 C89 -0.3(5) . .
C87 C88 C89 C90 5.2(6) . .
C107 C88 C89 C90 147.8(3) . .
C87 C88 C89 C109 -142.2(4) . .
C107 C88 C89 C109 0.4(4) . .
C109 C89 C90 C91 -12.6(5) . .
C88 C89 C90 C91 -155.9(3) . .
C109 C89 C90 C75 138.5(4) . .
C88 C89 C90 C75 -4.8(5) . .
C76 C75 C90 C91 0.5(5) . .
C74 C75 C90 C91 149.8(3) . .
C76 C75 C90 C89 -149.7(3) . .
C74 C75 C90 C89 -0.4(5) . .
C89 C90 C91 C111 13.1(5) . .
C75 C90 C91 C111 -137.9(4) . .
C89 C90 C91 C92 154.7(3) . .
C75 C90 C91 C92 3.7(5) . .
C76 C77 C92 C93 138.8(4) . .
C78 C77 C92 C93 -0.2(5) . .
C76 C77 C92 C91 -0.8(5) . .
C78 C77 C92 C91 -139.7(4) . .
C90 C91 C92 C77 -3.5(5) . .
C111 C91 C92 C77 142.9(4) . .
C90 C91 C92 C93 -147.0(3) . .
C111 C91 C92 C93 -0.5(4) . .
C77 C92 C93 C94 -0.1(5) . .
C91 C92 C93 C94 143.0(4) . .
C77 C92 C93 C112 -141.8(4) . .
C91 C92 C93 C112 1.3(4) . .
C92 C93 C94 C95 0.3(6) . .
C112 C93 C94 C95 136.8(4) . .
C92 C93 C94 C115 -137.7(4) . .
C112 C93 C94 C115 -1.2(6) . .
C79 C78 C95 C94 -137.1(4) . .
C77 C78 C95 C94 -0.2(5) . .
C79 C78 C95 C96 0.3(5) . .
C77 C78 C95 C96 137.2(4) . .
C93 C94 C95 C78 -0.2(5) . .
C115 C94 C95 C78 142.1(4) . .
C93 C94 C95 C96 -141.7(4) . .
C115 C94 C95 C96 0.5(4) . .
C78 C95 C96 C97 -0.1(5) . .
C94 C95 C96 C97 141.4(4) . .
C78 C95 C96 C116 -141.9(4) . .
C94 C95 C96 C116 -0.4(4) . .
C116 C96 C97 C98 0.3(6) . .
C95 C96 C97 C98 -137.0(4) . .
C116 C96 C97 C80 137.2(4) . .
C95 C96 C97 C80 0.0(5) . .
C79 C80 C97 C96 -0.1(5) . .
C81 C80 C97 C96 -143.0(4) . .
C79 C80 C97 C98 142.0(3) . .
C81 C80 C97 C98 -0.9(4) . .
C96 C97 C98 C118 -0.6(5) . .
C80 C97 C98 C118 -142.6(3) . .
C96 C97 C98 C99 143.0(4) . .
C80 C97 C98 C99 0.9(4) . .
C82 C81 C99 C100 0.2(5) . .
C80 C81 C99 C100 146.9(3) . .
C82 C81 C99 C98 -146.7(3) . .
C80 C81 C99 C98 0.1(4) . .
C118 C98 C99 C100 -3.8(5) . .
C97 C98 C99 C100 -147.3(3) . .
C118 C98 C99 C81 142.8(3) . .
C97 C98 C99 C81 -0.6(4) . .
C81 C99 C100 C101 12.6(5) . .
C98 C99 C100 C101 154.8(3) . .
C81 C99 C100 C120 -138.5(4) . .
C98 C99 C100 C120 3.8(5) . .
C99 C100 C101 C83 -12.4(5) . .
C120 C100 C101 C83 138.7(4) . .
C99 C100 C101 C102 -155.1(3) . .
C120 C100 C101 C102 -4.0(5) . .
C82 C83 C101 C100 -0.5(5) . .
C84 C83 C101 C100 -147.4(3) . .
C82 C83 C101 C102 147.3(3) . .
C84 C83 C101 C102 0.4(4) . .
C100 C101 C102 C122 4.1(5) . .
C83 C101 C102 C122 -142.8(4) . .
C100 C101 C102 C103 147.3(4) . .
C83 C101 C102 C103 0.4(4) . .
C122 C102 C103 C104 0.6(6) . .
C101 C102 C103 C104 -142.1(4) . .
C122 C102 C103 C84 141.7(4) . .
C101 C102 C103 C84 -1.0(4) . .
C85 C84 C103 C104 -1.2(6) . .
C83 C84 C103 C104 142.9(4) . .
C85 C84 C103 C102 -142.9(4) . .
C83 C84 C103 C102 1.2(4) . .
C102 C103 C104 C105 136.7(4) . .
C84 C103 C104 C105 0.5(6) . .
C102 C103 C104 C124 -0.7(6) . .
C84 C103 C104 C124 -136.9(4) . .
C87 C86 C105 C106 0.4(5) . .
C85 C86 C105 C106 137.8(4) . .
C87 C86 C105 C104 -137.1(4) . .
C85 C86 C105 C104 0.2(5) . .
C103 C104 C105 C86 -0.1(6) . .
C124 C104 C105 C86 141.9(4) . .
C103 C104 C105 C106 -141.5(4) . .
C124 C104 C105 C106 0.4(4) . .
C86 C105 C106 C107 -0.1(5) . .
C104 C105 C106 C107 141.6(4) . .
C86 C105 C106 C125 -142.0(3) . .
C104 C105 C106 C125 -0.3(4) . .
C105 C106 C107 C108 -136.8(4) . .
C125 C106 C107 C108 0.8(5) . .
C105 C106 C107 C88 -0.1(5) . .
C125 C106 C107 C88 137.4(4) . .
C87 C88 C107 C106 0.0(5) . .
C89 C88 C107 C106 -142.9(4) . .
C87 C88 C107 C108 141.9(4) . .
C89 C88 C107 C108 -1.1(4) . .
C106 C107 C108 C127 -0.9(5) . .
C88 C107 C108 C127 -142.4(3) . .
C106 C107 C108 C109 142.9(3) . .
C88 C107 C108 C109 1.4(4) . .
C90 C89 C109 C110 -0.8(5) . .
C88 C89 C109 C110 146.6(3) . .
C90 C89 C109 C108 -146.9(3) . .
C88 C89 C109 C108 0.5(4) . .
C127 C108 C109 C110 -2.7(5) . .
C107 C108 C109 C110 -146.5(3) . .
C127 C108 C109 C89 142.7(3) . .
C107 C108 C109 C89 -1.2(4) . .
C89 C109 C110 C111 14.0(5) . .
C108 C109 C110 C111 154.9(3) . .
C89 C109 C110 C129 -138.7(4) . .
C108 C109 C110 C129 2.2(5) . .
C109 C110 C111 C91 -13.5(5) . .
C129 C110 C111 C91 139.1(4) . .
C109 C110 C111 C112 -154.9(3) . .
C129 C110 C111 C112 -2.3(5) . .
C90 C91 C111 C110 -0.2(5) . .
C92 C91 C111 C110 -146.4(3) . .
C90 C91 C111 C112 145.7(3) . .
C92 C91 C111 C112 -0.6(4) . .
C110 C111 C112 C113 2.9(6) . .
C91 C111 C112 C113 -142.6(4) . .
C110 C111 C112 C93 146.9(4) . .
C91 C111 C112 C93 1.4(4) . .
C94 C93 C112 C113 0.8(6) . .
C92 C93 C112 C113 142.5(4) . .
C94 C93 C112 C111 -143.3(4) . .
C92 C93 C112 C111 -1.7(4) . .
C111 C112 C113 C114 140.1(4) . .
C93 C112 C113 C114 0.1(5) . .
C111 C112 C113 C130 0.7(6) . .
C93 C112 C113 C130 -139.4(4) . .
C112 C113 C114 C115 -0.6(6) . .
C130 C113 C114 C115 142.6(4) . .
C112 C113 C114 C132 -142.0(4) . .
C130 C113 C114 C132 1.2(4) . .
C113 C114 C115 C116 -136.4(4) . .
C132 C114 C115 C116 -0.1(6) . .
C113 C114 C115 C94 0.2(6) . .
C132 C114 C115 C94 136.5(4) . .
C93 C94 C115 C114 0.7(6) . .
C95 C94 C115 C114 -142.0(4) . .
C93 C94 C115 C116 142.4(4) . .
C95 C94 C115 C116 -0.4(4) . .
C97 C96 C116 C117 -0.2(6) . .
C95 C96 C116 C117 141.6(4) . .
C97 C96 C116 C115 -141.6(4) . .
C95 C96 C116 C115 0.2(4) . .
C114 C115 C116 C117 -0.1(6) . .
C94 C115 C116 C117 -141.4(4) . .
C114 C115 C116 C96 141.3(4) . .
C94 C115 C116 C96 0.1(4) . .
C96 C116 C117 C133 -137.2(4) . .
C115 C116 C117 C133 0.2(6) . .
C96 C116 C117 C118 0.3(5) . .
C115 C116 C117 C118 137.7(4) . .
C99 C98 C118 C117 -138.8(4) . .
C97 C98 C118 C117 0.7(5) . .
C99 C98 C118 C119 -0.6(5) . .
C97 C98 C118 C119 138.9(4) . .
C116 C117 C118 C98 -0.6(5) . .
C133 C117 C118 C98 141.3(4) . .
C116 C117 C118 C119 -143.5(4) . .
C133 C117 C118 C119 -1.7(4) . .
C98 C118 C119 C134 -141.9(4) . .
C117 C118 C119 C134 1.1(4) . .
C98 C118 C119 C120 4.8(5) . .
C117 C118 C119 C120 147.9(3) . .
C134 C119 C120 C121 -13.2(5) . .
C118 C119 C120 C121 -155.6(3) . .
C134 C119 C120 C100 137.6(4) . .
C118 C119 C120 C100 -4.7(5) . .
C99 C100 C120 C121 150.6(3) . .
C101 C100 C120 C121 -0.3(5) . .
C99 C100 C120 C119 0.5(5) . .
C101 C100 C120 C119 -150.4(3) . .
C119 C120 C121 C136 12.9(5) . .
C100 C120 C121 C136 -138.2(4) . .
C119 C120 C121 C122 155.6(3) . .
C100 C120 C121 C122 4.5(5) . .
C103 C102 C122 C121 -139.0(4) . .
C101 C102 C122 C121 0.3(5) . .
C103 C102 C122 C123 -0.3(5) . .
C101 C102 C122 C123 139.0(4) . .
C120 C121 C122 C102 -4.5(5) . .
C136 C121 C122 C102 142.4(3) . .
C120 C121 C122 C123 -147.1(3) . .
C136 C121 C122 C123 -0.2(4) . .
C102 C122 C123 C124 0.2(5) . .
C121 C122 C123 C124 143.1(4) . .
C102 C122 C123 C137 -142.5(4) . .
C121 C122 C123 C137 0.4(4) . .
C137 C123 C124 C125 0.1(5) . .
C122 C123 C124 C125 -137.5(4) . .
C137 C123 C124 C104 137.2(4) . .
C122 C123 C124 C104 -0.3(5) . .
C103 C104 C124 C123 0.6(5) . .
C105 C104 C124 C123 -141.7(4) . .
C103 C104 C124 C125 141.9(4) . .
C105 C104 C124 C125 -0.4(4) . .
C123 C124 C125 C126 -0.3(5) . .
C104 C124 C125 C126 -141.8(3) . .
C123 C124 C125 C106 141.7(4) . .
C104 C124 C125 C106 0.2(4) . .
C107 C106 C125 C126 0.0(5) . .
C105 C106 C125 C126 142.5(3) . .
C107 C106 C125 C124 -142.4(3) . .
C105 C106 C125 C124 0.1(4) . .
C124 C125 C126 C127 136.9(4) . .
C106 C125 C126 C127 -0.7(5) . .
C124 C125 C126 C138 0.3(5) . .
C106 C125 C126 C138 -137.4(4) . .
C107 C108 C127 C126 0.2(5) . .
C109 C108 C127 C126 -139.9(4) . .
C107 C108 C127 C128 139.6(4) . .
C109 C108 C127 C128 -0.4(5) . .
C125 C126 C127 C108 0.6(5) . .
C138 C126 C127 C108 142.0(3) . .
C125 C126 C127 C128 -142.9(3) . .
C138 C126 C127 C128 -1.5(4) . .
C108 C127 C128 C129 4.0(5) . .
C126 C127 C128 C129 147.7(3) . .
C108 C127 C128 C139 -142.5(3) . .
C126 C127 C128 C139 1.1(4) . .
C139 C128 C129 C130 -12.5(5) . .
C127 C128 C129 C130 -154.3(3) . .
C139 C128 C129 C110 137.3(4) . .
C127 C128 C129 C110 -4.5(5) . .
C111 C110 C129 C130 -1.8(5) . .
C109 C110 C129 C130 150.5(3) . .
C111 C110 C129 C128 -151.0(3) . .
C109 C110 C129 C128 1.4(5) . .
C128 C129 C130 C131 12.4(5) . .
C110 C129 C130 C131 -137.6(4) . .
C128 C129 C130 C113 155.4(3) . .
C110 C129 C130 C113 5.4(5) . .
C112 C113 C130 C129 -4.9(6) . .
C114 C113 C130 C129 -148.4(4) . .
C112 C113 C130 C131 142.8(4) . .
C114 C113 C130 C131 -0.7(4) . .
C129 C130 C131 C140 0.1(6) . .
C113 C130 C131 C140 -147.5(3) . .
C129 C130 C131 C132 147.6(4) . .
C113 C130 C131 C132 0.0(4) . .
C140 C131 C132 C133 5.5(6) . .
C130 C131 C132 C133 -142.0(4) . .
C140 C131 C132 C114 148.3(4) . .
C130 C131 C132 C114 0.8(4) . .
C115 C114 C132 C133 0.4(6) . .
C113 C114 C132 C133 142.0(4) . .
C115 C114 C132 C131 -142.9(4) . .
C113 C114 C132 C131 -1.2(4) . .
C131 C132 C133 C117 138.5(4) . .
C114 C132 C133 C117 -0.3(6) . .
C131 C132 C133 C134 -0.8(6) . .
C114 C132 C133 C134 -139.7(4) . .
C116 C117 C133 C132 0.1(6) . .
C118 C117 C133 C132 -141.9(4) . .
C116 C117 C133 C134 143.5(4) . .
C118 C117 C133 C134 1.6(4) . .
C120 C119 C134 C135 0.5(6) . .
C118 C119 C134 C135 146.7(4) . .
C120 C119 C134 C133 -146.4(3) . .
C118 C119 C134 C133 -0.2(4) . .
C132 C133 C134 C119 143.2(4) . .
C117 C133 C134 C119 -0.9(4) . .
C132 C133 C134 C135 -3.9(6) . .
C117 C133 C134 C135 -148.1(4) . .
C119 C134 C135 C136 12.6(5) . .
C133 C134 C135 C136 155.3(3) . .
C119 C134 C135 C140 -138.7(4) . .
C133 C134 C135 C140 4.1(5) . .
C134 C135 C136 C121 -12.7(5) . .
C140 C135 C136 C121 138.9(4) . .
C134 C135 C136 C137 -155.5(3) . .
C140 C135 C136 C137 -3.8(5) . .
C120 C121 C136 C135 0.0(5) . .
C122 C121 C136 C135 -147.3(3) . .
C120 C121 C136 C137 147.2(3) . .
C122 C121 C136 C137 -0.1(4) . .
C124 C123 C137 C138 0.2(5) . .
C122 C123 C137 C138 142.8(3) . .
C124 C123 C137 C136 -143.0(4) . .
C122 C123 C137 C136 -0.4(4) . .
C135 C136 C137 C138 4.0(5) . .
C121 C136 C137 C138 -142.9(4) . .
C135 C136 C137 C123 147.3(3) . .
C121 C136 C137 C123 0.3(4) . .
C123 C137 C138 C139 -139.3(4) . .
C136 C137 C138 C139 -0.1(5) . .
C123 C137 C138 C126 -0.3(5) . .
C136 C137 C138 C126 138.9(4) . .
C125 C126 C138 C137 0.0(5) . .
C127 C126 C138 C137 -141.7(3) . .
C125 C126 C138 C139 143.1(3) . .
C127 C126 C138 C139 1.3(4) . .
C129 C128 C139 C140 0.2(5) . .
C127 C128 C139 C140 146.6(3) . .
C129 C128 C139 C138 -146.7(3) . .
C127 C128 C139 C138 -0.3(4) . .
C137 C138 C139 C140 -4.0(5) . .
C126 C138 C139 C140 -147.3(3) . .
C137 C138 C139 C128 142.6(4) . .
C126 C138 C139 C128 -0.7(4) . .
C128 C139 C140 C131 12.3(5) . .
C138 C139 C140 C131 154.8(3) . .
C128 C139 C140 C135 -138.3(4) . .
C138 C139 C140 C135 4.2(5) . .
C130 C131 C140 C139 -12.5(5) . .
C132 C131 C140 C139 -156.1(3) . .
C130 C131 C140 C135 138.3(4) . .
C132 C131 C140 C135 -5.3(5) . .
C134 C135 C140 C139 150.4(3) . .
C136 C135 C140 C139 -0.3(5) . .
C134 C135 C140 C131 0.5(5) . .
C136 C135 C140 C131 -150.2(3) . .
C146 C141 C142 C143 1.0(5) . .
Br1 C141 C142 C143 -179.4(3) . .
C146 C141 C142 Br2 -178.6(3) . .
Br1 C141 C142 Br2 1.0(4) . .
C141 C142 C143 C144 -0.9(5) . .
Br2 C142 C143 C144 178.7(3) . .
C141 C142 C143 Br3 180.0(3) . .
Br2 C142 C143 Br3 -0.5(4) . .
C142 C143 C144 C145 0.3(5) . .
Br3 C143 C144 C145 179.5(3) . .
C142 C143 C144 Br4 -179.7(3) . .
Br3 C143 C144 Br4 -0.6(4) . .
C143 C144 C145 C146 0.2(5) . .
Br4 C144 C145 C146 -179.8(3) . .
C143 C144 C145 Br5 -179.5(3) . .
Br4 C144 C145 Br5 0.5(4) . .
C142 C141 C146 C145 -0.5(5) . .
Br1 C141 C146 C145 179.9(3) . .
C142 C141 C146 Br6 179.4(3) . .
Br1 C141 C146 Br6 -0.2(4) . .
C144 C145 C146 C141 -0.1(5) . .
Br5 C145 C146 C141 179.6(3) . .
C144 C145 C146 Br6 -180.0(3) . .
Br5 C145 C146 Br6 -0.3(4) . .
C149 C147 C148 C149 -0.4(6) 2_776 .
Br7 C147 C148 C149 -178.4(3) . .
C149 C147 C148 Br8 179.2(3) 2_776 .
Br7 C147 C148 Br8 1.2(4) . .
C147 C148 C149 C147 0.4(6) . 2_776
Br8 C148 C149 C147 -179.2(3) . 2_776
C147 C148 C149 Br9 -179.3(3) . .
Br8 C148 C149 Br9 1.1(4) . .
C152 C150 C151 C152 0.4(6) 2 .
Br10 C150 C151 C152 179.2(3) . .
C152 C150 C151 Br11 -179.8(3) 2 .
Br10 C150 C151 Br11 -1.0(4) . .
C150 C151 C152 C150 -0.4(6) . 2
Br11 C151 C152 C150 179.8(3) . 2
C150 C151 C152 Br12 179.3(3) . .
Br11 C151 C152 Br12 -0.5(4) . .
C158 C153 C154 C155 0.0 . .
C153 C154 C155 C156 0.0 . .
C154 C155 C156 C157 0.0 . .
C155 C156 C157 C158 0.0 . .
C156 C157 C158 C153 0.0 . .
C154 C153 C158 C157 0.0 . .
C164 C159 C160 C161 0.0 . .
C159 C160 C161 C162 0.0 . .
C160 C161 C162 C163 0.0 . .
C161 C162 C163 C164 0.0 . .
C162 C163 C164 C159 0.0 . .
C160 C159 C164 C163 0.0 . .
C170 C165 C166 C167 -1.6(7) . .
C165 C166 C167 C168 1.1(7) . .
C166 C167 C168 C169 0.2(7) . .
C167 C168 C169 C170 -0.9(7) . .
C166 C165 C170 C169 0.9(7) . .
C168 C169 C170 C165 0.3(6) . .
