#------------------------------------------------------------------------------
#$Date: 2020-09-30 08:15:13 +0300 (Wed, 30 Sep 2020) $
#$Revision: 256850 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/24/36/2243608.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2243608
loop_
_publ_author_name
'Qin, Qian'
'Mague, Joel T.'
'Gould, Haley E.'
'Vasquez, Samuel E.'
'Heyer, Anthony E.'
_publ_section_title
;
 Crystal structures of two charge--transfer complexes of
 benzo[1,2-c:3,4-c':5,6-c'']trithiophene
 (D₃ₕ-BTT)
;
_journal_coeditor_code           ZL2760
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              1573
_journal_page_last               1577
_journal_paper_doi               10.1107/S2056989019013161
_journal_volume                  75
_journal_year                    2019
_chemical_absolute_configuration unk
_chemical_formula_iupac          'C12 H6 S3, C60, C7 H8'
_chemical_formula_moiety         'C12 H6 S3, C60, C7 H8'
_chemical_formula_sum            'C79 H14 S3'
_chemical_formula_weight         1059.08
_chemical_name_systematic
;
Benzo[1,2-c:3,4-c':5,6-c'']trithiophene--\
buckminsterfullerene--toluene
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_Hall           'P 2yb'
_space_group_name_H-M_alt        'P 1 21 1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2018/3
_cell_angle_alpha                90
_cell_angle_beta                 108.816(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.0139(6)
_cell_length_b                   17.4327(10)
_cell_length_c                   13.0286(8)
_cell_measurement_reflns_used    9987
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      74.4850
_cell_measurement_theta_min      3.5840
_cell_volume                     2152.8(2)
_computing_cell_refinement
;
SAINT (Bruker, 2016)
;
_computing_data_collection
;
APEX3 (Bruker, 2016)
;
_computing_data_reduction
;
SAINT  (Bruker, 2016)
;
_computing_molecular_graphics
;
DIAMOND (Brandenburg & Putz, 2012)
;
_computing_publication_material
;
SHELXTL (Sheldrick, 2008)
;
_computing_structure_refinement
;
SHELXL2018/1 (Sheldrick, 2015b)
;
_computing_structure_solution
;
SHELXT (Sheldrick, 2015a)
;
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 10.4167
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measurement_device_type  'Bruker D8 VENTURE PHOTON 100 CMOS'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0346
_diffrn_reflns_av_unetI/netI     0.0435
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            16787
_diffrn_reflns_theta_full        68.000
_diffrn_reflns_theta_max         74.477
_diffrn_reflns_theta_min         3.584
_diffrn_source                   'INCOATEC I\mS micro--focus source'
_exptl_absorpt_coefficient_mu    2.046
_exptl_absorpt_correction_T_max  0.94
_exptl_absorpt_correction_T_min  0.76
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(SADABS; Krause et al., 2015)
;
_exptl_crystal_colour            'dark red'
_exptl_crystal_density_diffrn    1.634
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1072
_exptl_crystal_size_max          0.325
_exptl_crystal_size_mid          0.297
_exptl_crystal_size_min          0.029
_refine_diff_density_max         0.326
_refine_diff_density_min         -0.259
_refine_ls_abs_structure_details
;
 Refined as an inversion twin
;
_refine_ls_abs_structure_Flack   0.36(2)
_refine_ls_extinction_coef       0.0009(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method
;
SHELXL2018/1 (Sheldrick, 2015b)
;
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1307
_refine_ls_number_reflns         7520
_refine_ls_number_restraints     3769
_refine_ls_restrained_S_all      1.041
_refine_ls_R_factor_all          0.0449
_refine_ls_R_factor_gt           0.0417
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0640P)²+0.8700P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1085
_refine_ls_wR_factor_ref         0.1122
_reflns_number_gt                7066
_reflns_number_total             7520
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            zl2760sup1.cif
_cod_data_source_block           II
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               2243608
_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   0.556
_shelx_estimated_absorpt_t_max   0.943
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C C1 0.5825(9) 0.6221(5) 0.5098(6) 0.0540(17) Uani d 0.766(3) A 1
C C2 0.4772(8) 0.6029(4) 0.4111(6) 0.0492(15) Uani d 0.766(3) A 1
C C3 0.3890(6) 0.5410(4) 0.4041(6) 0.0497(14) Uani d 0.766(3) A 1
C C4 0.4054(7) 0.4963(5) 0.5022(6) 0.0463(15) Uani d 0.766(3) A 1
C C5 0.5083(8) 0.5143(4) 0.5987(6) 0.0467(14) Uani d 0.766(3) A 1
C C6 0.5993(8) 0.5784(4) 0.6035(6) 0.0505(15) Uani d 0.766(3) A 1
C C7 0.5334(13) 0.6162(9) 0.3226(10) 0.0520(17) Uani d 0.766(3) A 1
C C8 0.5013(9) 0.5674(6) 0.2342(8) 0.0450(16) Uani d 0.766(3) A 1
C C9 0.4092(10) 0.5025(6) 0.2293(8) 0.0478(18) Uani d 0.766(3) A 1
C C10 0.3548(7) 0.4894(5) 0.3134(6) 0.0460(15) Uani d 0.766(3) A 1
C C11 0.3487(6) 0.4131(5) 0.3522(6) 0.0486(15) Uani d 0.766(3) A 1
C C12 0.3816(6) 0.4160(5) 0.4710(6) 0.0501(15) Uani d 0.766(3) A 1
C C13 0.4594(8) 0.3582(5) 0.5346(7) 0.0533(17) Uani d 0.766(3) A 1
C C14 0.5665(8) 0.3800(5) 0.6359(7) 0.0504(17) Uani d 0.766(3) A 1
C C15 0.6857(8) 0.3265(5) 0.6504(6) 0.0489(17) Uani d 0.766(3) A 1
C C16 0.6506(10) 0.2751(6) 0.5593(7) 0.0551(18) Uani d 0.766(3) A 1
C C17 0.5081(8) 0.2966(4) 0.4854(7) 0.0569(16) Uani d 0.766(3) A 1
C C18 0.4778(8) 0.2935(4) 0.3755(7) 0.0606(18) Uani d 0.766(3) A 1
C C19 0.3969(8) 0.3520(5) 0.3078(7) 0.0561(18) Uani d 0.766(3) A 1
C C20 0.4537(9) 0.3654(5) 0.2185(6) 0.0556(18) Uani d 0.766(3) A 1
C C21 0.4630(14) 0.4399(7) 0.1817(13) 0.0547(18) Uani d 0.766(3) A 1
C C22 0.5858(7) 0.4666(5) 0.1567(4) 0.0470(14) Uani d 0.766(3) A 1
C C23 0.6968(8) 0.4171(4) 0.1704(5) 0.0535(14) Uani d 0.766(3) A 1
C C24 0.6885(10) 0.3388(5) 0.2091(6) 0.0540(17) Uani d 0.766(3) A 1
C C25 0.5759(9) 0.3132(5) 0.2332(6) 0.0572(18) Uani d 0.766(3) A 1
C C26 0.5918(11) 0.2674(6) 0.3299(8) 0.062(2) Uani d 0.766(3) A 1
C C27 0.7265(12) 0.2491(8) 0.3999(8) 0.063(2) Uani d 0.766(3) A 1
C C28 0.8479(10) 0.2748(5) 0.3730(6) 0.0593(18) Uani d 0.766(3) A 1
C C29 0.8294(9) 0.3174(5) 0.2797(7) 0.0598(17) Uani d 0.766(3) A 1
C C30 0.9217(9) 0.3824(5) 0.2855(7) 0.0560(16) Uani d 0.766(3) A 1
C C31 0.8404(9) 0.4437(6) 0.2172(8) 0.0526(17) Uani d 0.766(3) A 1
C C32 0.8646(9) 0.5175(6) 0.2486(7) 0.0553(18) Uani d 0.766(3) A 1
C C33 0.9718(8) 0.5404(5) 0.3497(7) 0.0563(18) Uani d 0.766(3) A 1
C C34 1.0504(6) 0.4800(6) 0.4123(6) 0.0533(15) Uani d 0.766(3) A 1
C C35 1.0241(8) 0.4006(6) 0.3809(7) 0.0526(16) Uani d 0.766(3) A 1
C C36 0.6798(11) 0.6448(8) 0.3674(7) 0.0512(18) Uani d 0.766(3) A 1
C C37 0.9523(9) 0.2934(5) 0.4729(7) 0.0568(17) Uani d 0.766(3) A 1
C C38 0.9006(13) 0.2814(9) 0.5634(10) 0.0510(17) Uani d 0.766(3) A 1
C C39 0.7525(12) 0.2525(8) 0.5171(8) 0.0564(19) Uani d 0.766(3) A 1
C C40 0.8212(8) 0.3525(5) 0.6940(8) 0.0434(17) Uani d 0.766(3) A 1
C C41 0.9324(9) 0.3312(5) 0.6520(8) 0.0445(17) Uani d 0.766(3) A 1
C C42 1.0434(7) 0.3564(5) 0.4805(6) 0.0541(15) Uani d 0.766(3) A 1
C C43 1.0772(7) 0.4077(5) 0.5717(6) 0.0488(15) Uani d 0.766(3) A 1
C C44 1.0824(6) 0.4834(5) 0.5312(6) 0.0506(15) Uani d 0.766(3) A 1
C C45 1.0348(7) 0.5456(5) 0.5775(6) 0.0543(17) Uani d 0.766(3) A 1
C C46 0.9526(8) 0.6051(4) 0.5090(7) 0.0583(17) Uani d 0.766(3) A 1
C C47 0.9752(8) 0.5329(5) 0.6657(6) 0.0519(17) Uani d 0.766(3) A 1
C C48 0.9687(14) 0.4597(6) 0.7037(12) 0.0494(17) Uani d 0.766(3) A 1
C C49 0.8437(7) 0.4315(4) 0.7269(4) 0.0432(13) Uani d 0.766(3) A 1
C C50 0.7336(7) 0.4816(4) 0.7135(4) 0.0469(13) Uani d 0.766(3) A 1
C C51 0.5910(9) 0.4562(5) 0.6667(7) 0.0474(16) Uani d 0.766(3) A 1
C C52 0.7417(9) 0.5587(4) 0.6758(6) 0.0468(15) Uani d 0.766(3) A 1
C C53 0.8558(8) 0.5851(4) 0.6505(6) 0.0514(16) Uani d 0.766(3) A 1
C C54 0.8382(9) 0.6303(5) 0.5554(7) 0.0556(18) Uani d 0.766(3) A 1
C C55 0.7050(11) 0.6483(7) 0.4845(8) 0.058(2) Uani d 0.766(3) A 1
C C56 0.7818(10) 0.6222(6) 0.3267(7) 0.0552(18) Uani d 0.766(3) A 1
C C57 0.7463(9) 0.5708(5) 0.2337(6) 0.0503(17) Uani d 0.766(3) A 1
C C58 0.9240(8) 0.6016(5) 0.3989(7) 0.0583(17) Uani d 0.766(3) A 1
C C59 1.0225(10) 0.3970(5) 0.6554(8) 0.0478(18) Uani d 0.766(3) A 1
C C60 0.6084(8) 0.5454(5) 0.1900(7) 0.0462(17) Uani d 0.766(3) A 1
C C1B 0.7550(19) 0.4162(11) 0.7180(14) 0.041(3) Uani d 0.234(3) A 2
C C2B 0.785(3) 0.3427(15) 0.686(3) 0.042(3) Uani d 0.234(3) A 2
C C3B 0.901(3) 0.3227(19) 0.655(3) 0.046(4) Uani d 0.234(3) A 2
C C4B 1.005(4) 0.3828(16) 0.664(3) 0.048(4) Uani d 0.234(3) A 2
C C5B 0.978(5) 0.4557(16) 0.696(4) 0.049(4) Uani d 0.234(3) A 2
C C6B 0.853(2) 0.4763(12) 0.7254(15) 0.044(3) Uani d 0.234(3) A 2
C C7B 0.650(3) 0.3128(15) 0.622(2) 0.053(3) Uani d 0.234(3) A 2
C C8B 0.638(3) 0.270(2) 0.530(2) 0.058(4) Uani d 0.234(3) A 2
C C9B 0.759(3) 0.251(3) 0.499(2) 0.057(4) Uani d 0.234(3) A 2
C C10B 0.889(4) 0.278(3) 0.560(3) 0.051(4) Uani d 0.234(3) A 2
C C11B 0.990(3) 0.3087(14) 0.5117(18) 0.055(3) Uani d 0.234(3) A 2
C C12B 1.057(3) 0.3757(13) 0.5728(19) 0.052(3) Uani d 0.234(3) A 2
C C13B 1.089(2) 0.4383(14) 0.5221(17) 0.056(3) Uani d 0.234(3) A 2
C C14B 1.067(3) 0.5142(14) 0.5608(18) 0.052(3) Uani d 0.234(3) A 2
C C15B 1.017(2) 0.5608(12) 0.4604(16) 0.058(3) Uani d 0.234(3) A 2
C C16B 1.004(3) 0.5138(14) 0.3669(19) 0.056(3) Uani d 0.234(3) A 2
C C17B 1.049(3) 0.4354(14) 0.4067(17) 0.050(3) Uani d 0.234(3) A 2
C C18B 0.986(2) 0.3714(13) 0.349(2) 0.055(3) Uani d 0.234(3) A 2
C C19B 0.949(2) 0.3064(12) 0.3993(17) 0.059(3) Uani d 0.234(3) A 2
C C20B 0.808(2) 0.2760(16) 0.338(2) 0.060(3) Uani d 0.234(3) A 2
C C21B 0.706(3) 0.249(3) 0.381(2) 0.060(4) Uani d 0.234(3) A 2
C C22B 0.560(3) 0.270(2) 0.342(2) 0.059(4) Uani d 0.234(3) A 2
C C23B 0.525(2) 0.3118(14) 0.248(2) 0.056(3) Uani d 0.234(3) A 2
C C24B 0.627(2) 0.3417(14) 0.198(2) 0.053(3) Uani d 0.234(3) A 2
C C25B 0.763(2) 0.3257(13) 0.2389(19) 0.055(3) Uani d 0.234(3) A 2
C C26B 0.864(2) 0.3857(13) 0.2431(19) 0.056(3) Uani d 0.234(3) A 2
C C27B 0.826(3) 0.4643(14) 0.213(3) 0.052(3) Uani d 0.234(3) A 2
C C28B 0.677(2) 0.4785(11) 0.1663(15) 0.046(3) Uani d 0.234(3) A 2
C C29B 0.582(2) 0.4188(12) 0.1575(15) 0.047(3) Uani d 0.234(3) A 2
C C30B 0.454(5) 0.4355(17) 0.185(4) 0.051(4) Uani d 0.234(3) A 2
C C31B 0.422(3) 0.3711(15) 0.242(2) 0.053(3) Uani d 0.234(3) A 2
C C32B 0.371(3) 0.3803(14) 0.3229(18) 0.050(3) Uani d 0.234(3) A 2
C C33B 0.347(2) 0.4552(14) 0.3628(16) 0.051(3) Uani d 0.234(3) A 2
C C34B 0.376(3) 0.5172(13) 0.3057(19) 0.050(3) Uani d 0.234(3) A 2
C C35B 0.429(4) 0.5078(17) 0.216(3) 0.048(4) Uani d 0.234(3) A 2
C C36B 0.535(3) 0.3675(15) 0.611(2) 0.051(3) Uani d 0.234(3) A 2
C C37B 0.650(3) 0.5535(15) 0.196(3) 0.043(3) Uani d 0.234(3) A 2
C C38B 0.778(3) 0.5856(15) 0.263(2) 0.054(3) Uani d 0.234(3) A 2
C C39B 0.896(3) 0.5305(15) 0.275(2) 0.052(3) Uani d 0.234(3) A 2
C C40B 0.917(2) 0.6165(13) 0.449(2) 0.059(3) Uani d 0.234(3) A 2
C C41B 0.793(3) 0.631(2) 0.356(2) 0.059(4) Uani d 0.234(3) A 2
C C42B 0.530(3) 0.5710(19) 0.225(3) 0.048(4) Uani d 0.234(3) A 2
C C43B 0.543(4) 0.617(3) 0.320(3) 0.051(4) Uani d 0.234(3) A 2
C C44B 0.444(2) 0.5848(13) 0.3676(17) 0.054(3) Uani d 0.234(3) A 2
C C45B 0.482(2) 0.5887(12) 0.4826(17) 0.056(3) Uani d 0.234(3) A 2
C C46B 0.450(2) 0.5222(13) 0.5355(19) 0.050(3) Uani d 0.234(3) A 2
C C47B 0.625(2) 0.6197(15) 0.5438(19) 0.055(3) Uani d 0.234(3) A 2
C C48B 0.727(3) 0.647(3) 0.503(2) 0.054(4) Uani d 0.234(3) A 2
C C49B 0.875(3) 0.6243(19) 0.5425(19) 0.055(4) Uani d 0.234(3) A 2
C C50B 0.911(2) 0.5809(13) 0.6355(18) 0.053(3) Uani d 0.234(3) A 2
C C51B 1.014(2) 0.5217(14) 0.647(2) 0.051(3) Uani d 0.234(3) A 2
C C52B 0.808(2) 0.5537(12) 0.6841(18) 0.047(3) Uani d 0.234(3) A 2
C C53B 0.670(2) 0.5713(13) 0.6429(18) 0.051(3) Uani d 0.234(3) A 2
C C54B 0.571(2) 0.5106(12) 0.6419(18) 0.049(3) Uani d 0.234(3) A 2
C C55B 0.607(3) 0.4339(13) 0.673(3) 0.044(3) Uani d 0.234(3) A 2
C C56B 0.429(3) 0.3823(14) 0.5176(19) 0.053(3) Uani d 0.234(3) A 2
C C57B 0.416(2) 0.3363(11) 0.4237(16) 0.058(3) Uani d 0.234(3) A 2
C C58B 0.385(2) 0.4588(14) 0.4783(16) 0.046(3) Uani d 0.234(3) A 2
C C59B 0.669(3) 0.647(3) 0.384(2) 0.052(4) Uani d 0.234(3) A 2
C C60B 0.521(2) 0.2805(13) 0.4354(19) 0.060(3) Uani d 0.234(3) A 2
S S1 0.97554(9) 0.45936(7) 0.99949(7) 0.0350(2) Uani d 1 . .
S S2 0.37194(12) 0.62544(6) 0.86134(11) 0.0451(3) Uani d 1 . .
S S3 0.40982(11) 0.25794(6) 0.88610(10) 0.0411(3) Uani d 1 . .
C C61 0.7135(4) 0.4919(2) 0.9390(3) 0.0228(7) Uani d 1 . .
C C62 0.5760(4) 0.5304(2) 0.9076(3) 0.0225(7) Uani d 1 . .
C C63 0.4502(4) 0.4853(2) 0.8857(3) 0.0238(7) Uani d 1 . .
C C64 0.4586(4) 0.4022(2) 0.8906(3) 0.0242(7) Uani d 1 . .
C C65 0.5932(4) 0.3644(2) 0.9175(3) 0.0229(7) Uani d 1 . .
C C66 0.7225(3) 0.4105(2) 0.9436(2) 0.0220(7) Uani d 1 . .
C C67 0.8582(4) 0.3847(2) 0.9754(3) 0.0286(8) Uani d 1 . .
H H67 0.894(4) 0.336(3) 0.990(4) 0.026(11) Uiso d 1 . .
C C68 0.8437(4) 0.5261(2) 0.9675(3) 0.0296(8) Uani d 1 . .
H H68 0.861(5) 0.582(3) 0.964(4) 0.035(12) Uiso d 1 . .
C C69 0.5487(4) 0.6071(2) 0.8962(4) 0.0327(8) Uani d 1 . .
H H69 0.612(5) 0.655(3) 0.908(4) 0.044(14) Uiso d 1 . .
C C70 0.3325(4) 0.5305(3) 0.8607(4) 0.0364(9) Uani d 1 . .
H H70 0.227(6) 0.521(3) 0.847(5) 0.054(16) Uiso d 1 . .
C C71 0.3499(4) 0.3509(2) 0.8712(4) 0.0358(9) Uani d 1 . .
H H71 0.250(5) 0.364(3) 0.852(4) 0.038(13) Uiso d 1 . .
C C72 0.5815(4) 0.2864(2) 0.9172(3) 0.0315(8) Uani d 1 . .
H H72 0.651(5) 0.249(3) 0.930(4) 0.041(13) Uiso d 1 . .
C C73 0.0949(4) 0.6683(2) -0.0110(4) 0.0386(10) Uani d 1 . .
H H73 0.178036 0.638756 -0.000314 0.046 Uiso calc 1 . .
C C74 0.0235(5) 0.6937(3) -0.1125(4) 0.0437(10) Uani d 1 . .
H H74 0.057290 0.681793 -0.170883 0.052 Uiso calc 1 . .
C C75 -0.0991(5) 0.7371(3) -0.1315(4) 0.0475(11) Uani d 1 . .
H H75 -0.149408 0.755155 -0.202192 0.057 Uiso calc 1 . .
C C76 -0.1461(4) 0.7533(3) -0.0441(4) 0.0417(10) Uani d 1 . .
H H76 -0.229647 0.782528 -0.055457 0.050 Uiso calc 1 . .
C C77 -0.0735(4) 0.7275(2) 0.0580(4) 0.0379(9) Uani d 1 . .
H H77 -0.107738 0.739470 0.116135 0.045 Uiso calc 1 . .
C C78 0.0505(4) 0.6840(2) 0.0789(3) 0.0326(8) Uani d 1 . .
C C79 0.1281(5) 0.6549(3) 0.1891(4) 0.0423(10) Uani d 1 . .
H H79A 0.079385 0.671085 0.239693 0.064 Uiso calc 1 . .
H H79B 0.224224 0.675564 0.212767 0.064 Uiso calc 1 . .
H H79C 0.131922 0.598718 0.187519 0.064 Uiso calc 1 . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 '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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
C6 C1 C2 . . 120.5(8) ?
C6 C1 C55 . . 120.0(7) ?
C2 C1 C55 . . 107.9(7) ?
C3 C2 C1 . . 121.2(7) ?
C3 C2 C7 . . 118.4(8) ?
C1 C2 C7 . . 108.5(8) ?
C2 C3 C10 . . 121.5(7) ?
C2 C3 C4 . . 118.1(7) ?
C10 C3 C4 . . 108.4(7) ?
C5 C4 C12 . . 118.8(7) ?
C5 C4 C3 . . 121.0(8) ?
C12 C4 C3 . . 107.8(7) ?
C4 C5 C51 . . 121.2(8) ?
C4 C5 C6 . . 119.7(7) ?
C51 C5 C6 . . 107.1(7) ?
C1 C6 C5 . . 119.4(7) ?
C1 C6 C52 . . 120.1(7) ?
C5 C6 C52 . . 108.5(7) ?
C8 C7 C2 . . 121.0(10) ?
C8 C7 C36 . . 118.1(10) ?
C2 C7 C36 . . 109.2(9) ?
C7 C8 C60 . . 119.9(8) ?
C7 C8 C9 . . 119.4(8) ?
C60 C8 C9 . . 108.9(8) ?
C10 C9 C21 . . 120.6(10) ?
C10 C9 C8 . . 120.0(8) ?
C21 C9 C8 . . 106.8(8) ?
C9 C10 C11 . . 120.2(8) ?
C9 C10 C3 . . 119.7(7) ?
C11 C10 C3 . . 108.5(7) ?
C19 C11 C10 . . 120.8(7) ?
C19 C11 C12 . . 118.6(7) ?
C10 C11 C12 . . 108.5(7) ?
C13 C12 C4 . . 121.7(7) ?
C13 C12 C11 . . 119.8(8) ?
C4 C12 C11 . . 106.7(7) ?
C12 C13 C17 . . 119.6(8) ?
C12 C13 C14 . . 117.5(8) ?
C17 C13 C14 . . 110.4(7) ?
C51 C14 C13 . . 121.5(8) ?
C51 C14 C15 . . 120.5(7) ?
C13 C14 C15 . . 106.2(7) ?
C40 C15 C16 . . 119.7(8) ?
C40 C15 C14 . . 119.7(8) ?
C16 C15 C14 . . 108.3(7) ?
C39 C16 C15 . . 119.8(9) ?
C39 C16 C17 . . 119.8(8) ?
C15 C16 C17 . . 107.8(8) ?
C18 C17 C13 . . 120.9(8) ?
C18 C17 C16 . . 120.7(8) ?
C13 C17 C16 . . 107.2(7) ?
C17 C18 C19 . . 120.8(8) ?
C17 C18 C26 . . 118.8(8) ?
C19 C18 C26 . . 108.9(8) ?
C11 C19 C18 . . 120.3(8) ?
C11 C19 C20 . . 119.2(8) ?
C18 C19 C20 . . 108.5(8) ?
C21 C20 C19 . . 120.4(9) ?
C21 C20 C25 . . 118.0(8) ?
C19 C20 C25 . . 108.3(8) ?
C20 C21 C9 . . 118.7(10) ?
C20 C21 C22 . . 122.1(10) ?
C9 C21 C22 . . 108.4(9) ?
C23 C22 C60 . . 121.4(7) ?
C23 C22 C21 . . 118.7(8) ?
C60 C22 C21 . . 107.6(8) ?
C22 C23 C31 . . 120.4(7) ?
C22 C23 C24 . . 119.8(7) ?
C31 C23 C24 . . 108.3(7) ?
C25 C24 C29 . . 118.7(8) ?
C25 C24 C23 . . 122.4(8) ?
C29 C24 C23 . . 107.7(7) ?
C24 C25 C26 . . 121.3(8) ?
C24 C25 C20 . . 119.1(8) ?
C26 C25 C20 . . 107.6(8) ?
C27 C26 C25 . . 120.1(9) ?
C27 C26 C18 . . 120.1(9) ?
C25 C26 C18 . . 106.7(8) ?
C26 C27 C28 . . 118.8(9) ?
C26 C27 C39 . . 118.7(10) ?
C28 C27 C39 . . 111.1(9) ?
C29 C28 C37 . . 122.2(9) ?
C29 C28 C27 . . 119.7(8) ?
C37 C28 C27 . . 106.2(8) ?
C28 C29 C30 . . 118.1(8) ?
C28 C29 C24 . . 121.2(8) ?
C30 C29 C24 . . 107.6(7) ?
C35 C30 C29 . . 120.5(8) ?
C35 C30 C31 . . 119.4(8) ?
C29 C30 C31 . . 108.7(8) ?
C32 C31 C23 . . 119.4(8) ?
C32 C31 C30 . . 120.3(9) ?
C23 C31 C30 . . 107.7(8) ?
C31 C32 C33 . . 122.8(8) ?
C31 C32 C57 . . 120.4(8) ?
C33 C32 C57 . . 105.8(8) ?
C58 C33 C34 . . 120.9(8) ?
C58 C33 C32 . . 111.0(7) ?
C34 C33 C32 . . 115.4(8) ?
C33 C34 C35 . . 122.5(7) ?
C33 C34 C44 . . 117.9(8) ?
C35 C34 C44 . . 107.1(7) ?
C30 C35 C34 . . 119.6(7) ?
C30 C35 C42 . . 121.9(9) ?
C34 C35 C42 . . 107.0(8) ?
C56 C36 C55 . . 121.5(9) ?
C56 C36 C7 . . 121.7(10) ?
C55 C36 C7 . . 103.9(9) ?
C42 C37 C28 . . 120.7(8) ?
C42 C37 C38 . . 116.6(8) ?
C28 C37 C38 . . 111.2(9) ?
C41 C38 C37 . . 122.5(10) ?
C41 C38 C39 . . 118.3(9) ?
C37 C38 C39 . . 106.8(9) ?
C16 C39 C27 . . 121.8(10) ?
C16 C39 C38 . . 120.9(9) ?
C27 C39 C38 . . 104.6(9) ?
C15 C40 C49 . . 118.7(7) ?
C15 C40 C41 . . 122.8(8) ?
C49 C40 C41 . . 107.1(7) ?
C38 C41 C40 . . 118.4(8) ?
C38 C41 C59 . . 119.3(9) ?
C40 C41 C59 . . 109.6(8) ?
C37 C42 C43 . . 121.1(7) ?
C37 C42 C35 . . 116.6(7) ?
C43 C42 C35 . . 109.5(7) ?
C59 C43 C44 . . 119.2(8) ?
C59 C43 C42 . . 121.4(7) ?
C44 C43 C42 . . 107.2(7) ?
C45 C44 C43 . . 120.0(7) ?
C45 C44 C34 . . 119.7(7) ?
C43 C44 C34 . . 109.2(8) ?
C44 C45 C46 . . 119.8(8) ?
C44 C45 C47 . . 120.0(7) ?
C46 C45 C47 . . 107.3(7) ?
C58 C46 C45 . . 120.0(8) ?
C58 C46 C54 . . 119.9(7) ?
C45 C46 C54 . . 108.3(7) ?
C48 C47 C53 . . 119.6(8) ?
C48 C47 C45 . . 119.9(8) ?
C53 C47 C45 . . 108.6(7) ?
C47 C48 C59 . . 118.4(9) ?
C47 C48 C49 . . 121.8(9) ?
C59 C48 C49 . . 107.4(9) ?
C50 C49 C40 . . 121.9(7) ?
C50 C49 C48 . . 117.8(8) ?
C40 C49 C48 . . 108.8(7) ?
C49 C50 C51 . . 120.5(7) ?
C49 C50 C52 . . 120.3(6) ?
C51 C50 C52 . . 107.5(6) ?
C14 C51 C5 . . 119.3(8) ?
C14 C51 C50 . . 118.6(8) ?
C5 C51 C50 . . 110.2(8) ?
C53 C52 C50 . . 122.7(7) ?
C53 C52 C6 . . 118.6(7) ?
C50 C52 C6 . . 106.6(6) ?
C52 C53 C54 . . 121.0(7) ?
C52 C53 C47 . . 117.8(8) ?
C54 C53 C47 . . 109.0(7) ?
C55 C54 C53 . . 121.6(9) ?
C55 C54 C46 . . 119.0(8) ?
C53 C54 C46 . . 106.7(7) ?
C54 C55 C1 . . 118.7(9) ?
C54 C55 C36 . . 119.2(10) ?
C1 C55 C36 . . 110.6(8) ?
C36 C56 C57 . . 119.5(8) ?
C36 C56 C58 . . 121.1(8) ?
C57 C56 C58 . . 107.9(8) ?
C60 C57 C56 . . 118.9(8) ?
C60 C57 C32 . . 120.4(8) ?
C56 C57 C32 . . 108.0(7) ?
C46 C58 C33 . . 121.6(8) ?
C46 C58 C56 . . 119.3(8) ?
C33 C58 C56 . . 107.1(8) ?
C43 C59 C48 . . 122.6(8) ?
C43 C59 C41 . . 118.9(8) ?
C48 C59 C41 . . 107.1(8) ?
C57 C60 C8 . . 121.9(8) ?
C57 C60 C22 . . 118.0(7) ?
C8 C60 C22 . . 108.3(7) ?
C2B C1B C6B . . 118.7(18) ?
C2B C1B C55B . . 111.5(18) ?
C6B C1B C55B . . 117.9(17) ?
C3B C2B C1B . . 126(2) ?
C3B C2B C7B . . 117(2) ?
C1B C2B C7B . . 104.3(19) ?
C2B C3B C10B . . 123(3) ?
C2B C3B C4B . . 116(2) ?
C10B C3B C4B . . 109(2) ?
C5B C4B C12B . . 119(2) ?
C5B C4B C3B . . 118(3) ?
C12B C4B C3B . . 108(2) ?
C4B C5B C51B . . 120(3) ?
C4B C5B C6B . . 125(3) ?
C51B C5B C6B . . 107(2) ?
C1B C6B C5B . . 116(2) ?
C1B C6B C52B . . 122.0(17) ?
C5B C6B C52B . . 108.5(18) ?
C8B C7B C2B . . 120(2) ?
C8B C7B C36B . . 115(2) ?
C2B C7B C36B . . 113(2) ?
C7B C8B C60B . . 120(2) ?
C7B C8B C9B . . 122(2) ?
C60B C8B C9B . . 108(2) ?
C10B C9B C8B . . 119(3) ?
C10B C9B C21B . . 125(3) ?
C8B C9B C21B . . 105(2) ?
C9B C10B C3B . . 119(3) ?
C9B C10B C11B . . 122(3) ?
C3B C10B C11B . . 107(2) ?
C19B C11B C12B . . 122(2) ?
C19B C11B C10B . . 116(2) ?
C12B C11B C10B . . 109(2) ?
C13B C12B C11B . . 121(2) ?
C13B C12B C4B . . 122(2) ?
C11B C12B C4B . . 107.0(19) ?
C12B C13B C17B . . 117(2) ?
C12B C13B C14B . . 118.0(19) ?
C17B C13B C14B . . 111.9(19) ?
C51B C14B C13B . . 120(2) ?
C51B C14B C15B . . 124(2) ?
C13B C14B C15B . . 103.7(18) ?
C40B C15B C16B . . 116.5(19) ?
C40B C15B C14B . . 120.7(19) ?
C16B C15B C14B . . 110.4(18) ?
C39B C16B C15B . . 117(2) ?
C39B C16B C17B . . 125(2) ?
C15B C16B C17B . . 107.1(18) ?
C18B C17B C13B . . 122(2) ?
C18B C17B C16B . . 121.7(19) ?
C13B C17B C16B . . 106.7(19) ?
C17B C18B C19B . . 123(2) ?
C17B C18B C26B . . 116.5(19) ?
C19B C18B C26B . . 107.0(18) ?
C11B C19B C18B . . 115(2) ?
C11B C19B C20B . . 119(2) ?
C18B C19B C20B . . 112.6(18) ?
C21B C20B C19B . . 126(2) ?
C21B C20B C25B . . 119(2) ?
C19B C20B C25B . . 103.3(18) ?
C20B C21B C22B . . 125(3) ?
C20B C21B C9B . . 111(2) ?
C22B C21B C9B . . 111(2) ?
C23B C22B C60B . . 130(3) ?
C23B C22B C21B . . 113(2) ?
C60B C22B C21B . . 105(2) ?
C22B C23B C31B . . 114(2) ?
C22B C23B C24B . . 125(2) ?
C31B C23B C24B . . 107.7(18) ?
C25B C24B C29B . . 120(2) ?
C25B C24B C23B . . 121(2) ?
C29B C24B C23B . . 107.8(17) ?
C24B C25B C26B . . 119(2) ?
C24B C25B C20B . . 117(2) ?
C26B C25B C20B . . 112.1(19) ?
C25B C26B C27B . . 124(2) ?
C25B C26B C18B . . 104.9(18) ?
C27B C26B C18B . . 117(2) ?
C28B C27B C26B . . 115(2) ?
C28B C27B C39B . . 111(2) ?
C26B C27B C39B . . 125(2) ?
C29B C28B C37B . . 121.8(18) ?
C29B C28B C27B . . 119.6(18) ?
C37B C28B C27B . . 108.1(18) ?
C28B C29B C24B . . 122.4(18) ?
C28B C29B C30B . . 117(2) ?
C24B C29B C30B . . 106.7(19) ?
C35B C30B C31B . . 118(3) ?
C35B C30B C29B . . 121(3) ?
C31B C30B C29B . . 109(2) ?
C32B C31B C23B . . 119(2) ?
C32B C31B C30B . . 122(2) ?
C23B C31B C30B . . 109(2) ?
C31B C32B C33B . . 123(2) ?
C31B C32B C57B . . 125(2) ?
C33B C32B C57B . . 100.9(18) ?
C34B C33B C58B . . 120(2) ?
C34B C33B C32B . . 114.8(18) ?
C58B C33B C32B . . 113.4(19) ?
C33B C34B C35B . . 123(2) ?
C33B C34B C44B . . 118(2) ?
C35B C34B C44B . . 108.0(19) ?
C30B C35B C34B . . 120(3) ?
C30B C35B C42B . . 122(3) ?
C34B C35B C42B . . 106(2) ?
C56B C36B C55B . . 117(2) ?
C56B C36B C7B . . 125(2) ?
C55B C36B C7B . . 103.2(19) ?
C42B C37B C28B . . 122(2) ?
C42B C37B C38B . . 116(2) ?
C28B C37B C38B . . 108.3(19) ?
C41B C38B C37B . . 125(2) ?
C41B C38B C39B . . 115(2) ?
C37B C38B C39B . . 109.8(19) ?
C16B C39B C27B . . 115(2) ?
C16B C39B C38B . . 127(2) ?
C27B C39B C38B . . 103.1(19) ?
C15B C40B C49B . . 112(2) ?
C15B C40B C41B . . 128(2) ?
C49B C40B C41B . . 107.1(19) ?
C38B C41B C59B . . 118(2) ?
C38B C41B C40B . . 116(2) ?
C59B C41B C40B . . 113(2) ?
C37B C42B C43B . . 120(3) ?
C37B C42B C35B . . 116(2) ?
C43B C42B C35B . . 111(2) ?
C59B C43B C42B . . 123(3) ?
C59B C43B C44B . . 120(3) ?
C42B C43B C44B . . 106(2) ?
C45B C44B C43B . . 117(2) ?
C45B C44B C34B . . 122.5(19) ?
C43B C44B C34B . . 110(2) ?
C44B C45B C46B . . 116.1(19) ?
C44B C45B C47B . . 117.7(19) ?
C46B C45B C47B . . 111.1(18) ?
C58B C46B C45B . . 122(2) ?
C58B C46B C54B . . 118.9(19) ?
C45B C46B C54B . . 107.6(17) ?
C48B C47B C53B . . 119(2) ?
C48B C47B C45B . . 128(2) ?
C53B C47B C45B . . 103.2(18) ?
C47B C48B C59B . . 109(2) ?
C47B C48B C49B . . 124(3) ?
C59B C48B C49B . . 112(2) ?
C50B C49B C40B . . 130(2) ?
C50B C49B C48B . . 114(2) ?
C40B C49B C48B . . 105.6(19) ?
C49B C50B C51B . . 118(2) ?
C49B C50B C52B . . 123(2) ?
C51B C50B C52B . . 108.0(17) ?
C14B C51B C5B . . 120(2) ?
C14B C51B C50B . . 115(2) ?
C5B C51B C50B . . 110(2) ?
C53B C52B C50B . . 122(2) ?
C53B C52B C6B . . 121(2) ?
C50B C52B C6B . . 106.3(16) ?
C52B C53B C54B . . 117(2) ?
C52B C53B C47B . . 117.4(19) ?
C54B C53B C47B . . 113.1(19) ?
C55B C54B C53B . . 125(2) ?
C55B C54B C46B . . 116.1(19) ?
C53B C54B C46B . . 104.7(17) ?
C54B C55B C1B . . 117(2) ?
C54B C55B C36B . . 124(2) ?
C1B C55B C36B . . 108.4(18) ?
C36B C56B C57B . . 119(2) ?
C36B C56B C58B . . 124(2) ?
C57B C56B C58B . . 106.3(19) ?
C60B C57B C56B . . 115.9(19) ?
C60B C57B C32B . . 117.6(19) ?
C56B C57B C32B . . 113.0(18) ?
C46B C58B C33B . . 122(2) ?
C46B C58B C56B . . 120.9(19) ?
C33B C58B C56B . . 106.2(19) ?
C43B C59B C41B . . 118(3) ?
C43B C59B C48B . . 128(3) ?
C41B C59B C48B . . 102(2) ?
C22B C60B C57B . . 114(2) ?
C22B C60B C8B . . 111(2) ?
C57B C60B C8B . . 124(2) ?
C68 S1 C67 . . 92.40(18) ?
C70 S2 C69 . . 92.1(2) ?
C72 S3 C71 . . 92.4(2) ?
C68 C61 C66 . . 112.3(3) ?
C68 C61 C62 . . 127.0(4) ?
C66 C61 C62 . . 120.6(3) ?
C69 C62 C63 . . 112.6(3) ?
C69 C62 C61 . . 128.0(3) ?
C63 C62 C61 . . 119.4(3) ?
C70 C63 C62 . . 111.5(3) ?
C70 C63 C64 . . 128.3(4) ?
C62 C63 C64 . . 120.2(3) ?
C71 C64 C65 . . 111.8(4) ?
C71 C64 C63 . . 127.8(4) ?
C65 C64 C63 . . 120.3(3) ?
C72 C65 C64 . . 112.5(3) ?
C72 C65 C66 . . 127.9(3) ?
C64 C65 C66 . . 119.5(3) ?
C67 C66 C61 . . 112.7(3) ?
C67 C66 C65 . . 127.5(4) ?
C61 C66 C65 . . 119.8(3) ?
C66 C67 S1 . . 111.3(3) ?
C66 C67 H67 . . 131(3) ?
S1 C67 H67 . . 118(3) ?
C61 C68 S1 . . 111.3(3) ?
C61 C68 H68 . . 125(3) ?
S1 C68 H68 . . 123(3) ?
C62 C69 S2 . . 111.5(3) ?
C62 C69 H69 . . 134(3) ?
S2 C69 H69 . . 115(3) ?
C63 C70 S2 . . 112.3(3) ?
C63 C70 H70 . . 135(3) ?
S2 C70 H70 . . 113(3) ?
C64 C71 S3 . . 111.6(3) ?
C64 C71 H71 . . 125(3) ?
S3 C71 H71 . . 123(3) ?
C65 C72 S3 . . 111.6(3) ?
C65 C72 H72 . . 130(3) ?
S3 C72 H72 . . 119(3) ?
C74 C73 C78 . . 122.6(4) ?
C74 C73 H73 . . 118.7 ?
C78 C73 H73 . . 118.7 ?
C73 C74 C75 . . 120.4(5) ?
C73 C74 H74 . . 119.8 ?
C75 C74 H74 . . 119.8 ?
C76 C75 C74 . . 118.3(5) ?
C76 C75 H75 . . 120.8 ?
C74 C75 H75 . . 120.8 ?
C77 C76 C75 . . 120.9(4) ?
C77 C76 H76 . . 119.5 ?
C75 C76 H76 . . 119.5 ?
C76 C77 C78 . . 121.7(4) ?
C76 C77 H77 . . 119.2 ?
C78 C77 H77 . . 119.2 ?
C77 C78 C73 . . 116.1(4) ?
C77 C78 C79 . . 121.8(4) ?
C73 C78 C79 . . 122.1(4) ?
C78 C79 H79A . . 109.5 ?
C78 C79 H79B . . 109.5 ?
H79A C79 H79B . . 109.5 ?
C78 C79 H79C . . 109.5 ?
H79A C79 H79C . . 109.5 ?
H79B C79 H79C . . 109.5 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
C1 C6 . 1.402(11) ?
C1 C2 . 1.415(11) ?
C1 C55 . 1.443(13) ?
C2 C3 . 1.379(11) ?
C2 C7 . 1.456(13) ?
C3 C10 . 1.435(11) ?
C3 C4 . 1.461(10) ?
C4 C5 . 1.380(11) ?
C4 C12 . 1.455(11) ?
C5 C51 . 1.422(12) ?
C5 C6 . 1.430(11) ?
C6 C52 . 1.474(10) ?
C7 C8 . 1.384(12) ?
C7 C36 . 1.479(13) ?
C8 C60 . 1.424(11) ?
C8 C9 . 1.447(11) ?
C9 C10 . 1.391(12) ?
C9 C21 . 1.442(13) ?
C10 C11 . 1.431(10) ?
C11 C19 . 1.373(11) ?
C11 C12 . 1.476(11) ?
C12 C13 . 1.377(11) ?
C13 C17 . 1.414(12) ?
C13 C14 . 1.458(12) ?
C14 C51 . 1.386(13) ?
C14 C15 . 1.479(11) ?
C15 C40 . 1.368(11) ?
C15 C16 . 1.437(12) ?
C16 C39 . 1.364(13) ?
C16 C17 . 1.489(12) ?
C17 C18 . 1.366(11) ?
C18 C19 . 1.418(12) ?
C18 C26 . 1.517(13) ?
C19 C20 . 1.469(12) ?
C20 C21 . 1.398(14) ?
C20 C25 . 1.487(12) ?
C21 C22 . 1.447(13) ?
C22 C23 . 1.373(10) ?
C22 C60 . 1.436(12) ?
C23 C31 . 1.446(12) ?
C23 C24 . 1.465(12) ?
C24 C25 . 1.341(13) ?
C24 C29 . 1.463(11) ?
C25 C26 . 1.457(13) ?
C26 C27 . 1.400(13) ?
C27 C28 . 1.440(14) ?
C27 C39 . 1.466(12) ?
C28 C29 . 1.385(12) ?
C28 C37 . 1.419(12) ?
C29 C30 . 1.450(13) ?
C30 C35 . 1.368(13) ?
C30 C31 . 1.460(12) ?
C31 C32 . 1.347(13) ?
C32 C33 . 1.462(12) ?
C32 C57 . 1.469(11) ?
C33 C58 . 1.406(13) ?
C33 C34 . 1.407(11) ?
C34 C35 . 1.443(12) ?
C34 C44 . 1.478(11) ?
C35 C42 . 1.467(11) ?
C36 C56 . 1.352(13) ?
C36 C55 . 1.465(12) ?
C37 C42 . 1.411(12) ?
C37 C38 . 1.448(13) ?
C38 C41 . 1.397(12) ?
C38 C39 . 1.497(13) ?
C40 C49 . 1.437(11) ?
C40 C41 . 1.439(11) ?
C41 C59 . 1.451(11) ?
C42 C43 . 1.437(12) ?
C43 C59 . 1.382(11) ?
C43 C44 . 1.429(10) ?
C44 C45 . 1.398(11) ?
C45 C46 . 1.441(11) ?
C45 C47 . 1.473(12) ?
C46 C58 . 1.370(11) ?
C46 C54 . 1.522(12) ?
C47 C48 . 1.378(13) ?
C47 C53 . 1.465(11) ?
C48 C59 . 1.448(13) ?
C48 C49 . 1.464(12) ?
C49 C50 . 1.373(9) ?
C50 C51 . 1.430(11) ?
C50 C52 . 1.443(10) ?
C52 C53 . 1.367(12) ?
C53 C54 . 1.430(12) ?
C54 C55 . 1.392(12) ?
C56 C57 . 1.455(12) ?
C56 C58 . 1.476(12) ?
C57 C60 . 1.385(11) ?
C1B C2B . 1.41(2) ?
C1B C6B . 1.42(2) ?
C1B C55B . 1.44(2) ?
C2B C3B . 1.38(3) ?
C2B C7B . 1.44(2) ?
C3B C10B . 1.43(3) ?
C3B C4B . 1.46(2) ?
C4B C5B . 1.39(3) ?
C4B C12B . 1.45(3) ?
C5B C51B . 1.42(3) ?
C5B C6B . 1.46(3) ?
C6B C52B . 1.47(2) ?
C7B C8B . 1.38(2) ?
C7B C36B . 1.46(3) ?
C8B C60B . 1.42(2) ?
C8B C9B . 1.44(3) ?
C9B C10B . 1.38(3) ?
C9B C21B . 1.45(3) ?
C10B C11B . 1.46(3) ?
C11B C19B . 1.39(2) ?
C11B C12B . 1.45(2) ?
C12B C13B . 1.37(2) ?
C13B C17B . 1.43(2) ?
C13B C14B . 1.46(2) ?
C14B C51B . 1.39(2) ?
C14B C15B . 1.48(2) ?
C15B C40B . 1.37(2) ?
C15B C16B . 1.44(2) ?
C16B C39B . 1.36(2) ?
C16B C17B . 1.48(2) ?
C17B C18B . 1.38(2) ?
C18B C19B . 1.41(2) ?
C18B C26B . 1.54(2) ?
C19B C20B . 1.48(2) ?
C20B C21B . 1.39(3) ?
C20B C25B . 1.49(2) ?
C21B C22B . 1.44(3) ?
C22B C23B . 1.36(2) ?
C22B C60B . 1.40(3) ?
C23B C31B . 1.44(2) ?
C23B C24B . 1.48(2) ?
C24B C25B . 1.32(2) ?
C24B C29B . 1.46(2) ?
C25B C26B . 1.44(2) ?
C26B C27B . 1.44(2) ?
C27B C28B . 1.44(3) ?
C27B C39B . 1.45(3) ?
C28B C29B . 1.39(2) ?
C28B C37B . 1.41(2) ?
C29B C30B . 1.46(3) ?
C30B C35B . 1.37(3) ?
C30B C31B . 1.44(3) ?
C31B C32B . 1.33(2) ?
C32B C33B . 1.45(2) ?
C32B C57B . 1.46(2) ?
C33B C34B . 1.39(2) ?
C33B C58B . 1.43(2) ?
C34B C35B . 1.44(3) ?
C34B C44B . 1.47(2) ?
C35B C42B . 1.47(3) ?
C36B C56B . 1.36(3) ?
C36B C55B . 1.46(2) ?
C37B C42B . 1.40(3) ?
C37B C38B . 1.42(2) ?
C38B C41B . 1.41(2) ?
C38B C39B . 1.49(3) ?
C40B C49B . 1.42(3) ?
C40B C41B . 1.45(2) ?
C41B C59B . 1.43(3) ?
C42B C43B . 1.44(3) ?
C43B C59B . 1.38(3) ?
C43B C44B . 1.44(3) ?
C44B C45B . 1.42(2) ?
C45B C46B . 1.44(2) ?
C45B C47B . 1.50(2) ?
C46B C58B . 1.37(2) ?
C46B C54B . 1.53(2) ?
C47B C48B . 1.38(3) ?
C47B C53B . 1.49(2) ?
C48B C59B . 1.46(3) ?
C48B C49B . 1.47(3) ?
C49B C50B . 1.38(2) ?
C50B C51B . 1.43(2) ?
C50B C52B . 1.46(2) ?
C52B C53B . 1.34(2) ?
C53B C54B . 1.45(2) ?
C54B C55B . 1.41(2) ?
C56B C57B . 1.43(2) ?
C56B C58B . 1.45(2) ?
C57B C60B . 1.40(2) ?
S1 C68 . 1.707(4) ?
S1 C67 . 1.713(4) ?
S2 C70 . 1.701(5) ?
S2 C69 . 1.710(4) ?
S3 C72 . 1.707(4) ?
S3 C71 . 1.717(5) ?
C61 C68 . 1.371(5) ?
C61 C66 . 1.422(5) ?
C61 C62 . 1.466(5) ?
C62 C69 . 1.363(5) ?
C62 C63 . 1.434(5) ?
C63 C70 . 1.366(5) ?
C63 C64 . 1.451(5) ?
C64 C71 . 1.368(5) ?
C64 C65 . 1.438(5) ?
C65 C72 . 1.364(5) ?
C65 C66 . 1.469(5) ?
C66 C67 . 1.363(5) ?
C67 H67 . 0.92(5) ?
C68 H68 . 0.99(5) ?
C69 H69 . 1.03(6) ?
C70 H70 . 1.03(6) ?
C71 H71 . 0.98(5) ?
C72 H72 . 0.92(5) ?
C73 C74 . 1.359(7) ?
C73 C78 . 1.407(6) ?
C73 H73 . 0.9500 ?
C74 C75 . 1.395(7) ?
C74 H74 . 0.9500 ?
C75 C76 . 1.394(7) ?
C75 H75 . 0.9500 ?
C76 C77 . 1.369(7) ?
C76 H76 . 0.9500 ?
C77 C78 . 1.405(6) ?
C77 H77 . 0.9500 ?
C78 C79 . 1.484(6) ?
C79 H79A . 0.9800 ?
C79 H79B . 0.9800 ?
C79 H79C . 0.9800 ?
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_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
C6 C1 C2 C3 . . . . -0.4(10) ?
C55 C1 C2 C3 . . . . 142.7(8) ?
C6 C1 C2 C7 . . . . -142.4(9) ?
C55 C1 C2 C7 . . . . 0.6(11) ?
C1 C2 C3 C10 . . . . -137.1(7) ?
C7 C2 C3 C10 . . . . 1.3(11) ?
C1 C2 C3 C4 . . . . 1.2(9) ?
C7 C2 C3 C4 . . . . 139.6(9) ?
C2 C3 C4 C5 . . . . -1.5(9) ?
C10 C3 C4 C5 . . . . 141.8(7) ?
C2 C3 C4 C12 . . . . -143.0(6) ?
C10 C3 C4 C12 . . . . 0.3(7) ?
C12 C4 C5 C51 . . . . 0.5(10) ?
C3 C4 C5 C51 . . . . -137.1(8) ?
C12 C4 C5 C6 . . . . 138.4(7) ?
C3 C4 C5 C6 . . . . 0.9(10) ?
C2 C1 C6 C5 . . . . -0.2(10) ?
C55 C1 C6 C5 . . . . -138.9(8) ?
C2 C1 C6 C52 . . . . 138.2(7) ?
C55 C1 C6 C52 . . . . -0.5(11) ?
C4 C5 C6 C1 . . . . 0.0(9) ?
C51 C5 C6 C1 . . . . 143.1(7) ?
C4 C5 C6 C52 . . . . -142.8(6) ?
C51 C5 C6 C52 . . . . 0.4(7) ?
C3 C2 C7 C8 . . . . -1.0(17) ?
C1 C2 C7 C8 . . . . 142.3(11) ?
C3 C2 C7 C36 . . . . -143.3(9) ?
C1 C2 C7 C36 . . . . 0.0(14) ?
C2 C7 C8 C60 . . . . -138.3(11) ?
C36 C7 C8 C60 . . . . 0.8(18) ?
C2 C7 C8 C9 . . . . 0.6(18) ?
C36 C7 C8 C9 . . . . 139.7(12) ?
C7 C8 C9 C10 . . . . -0.5(15) ?
C60 C8 C9 C10 . . . . 142.4(9) ?
C7 C8 C9 C21 . . . . -142.5(12) ?
C60 C8 C9 C21 . . . . 0.4(12) ?
C21 C9 C10 C11 . . . . -1.4(14) ?
C8 C9 C10 C11 . . . . -138.3(8) ?
C21 C9 C10 C3 . . . . 137.6(10) ?
C8 C9 C10 C3 . . . . 0.8(12) ?
C2 C3 C10 C9 . . . . -1.2(10) ?
C4 C3 C10 C9 . . . . -143.0(8) ?
C2 C3 C10 C11 . . . . 142.1(6) ?
C4 C3 C10 C11 . . . . 0.3(7) ?
C9 C10 C11 C19 . . . . 0.5(10) ?
C3 C10 C11 C19 . . . . -142.7(6) ?
C9 C10 C11 C12 . . . . 142.4(7) ?
C3 C10 C11 C12 . . . . -0.7(7) ?
C5 C4 C12 C13 . . . . -0.5(10) ?
C3 C4 C12 C13 . . . . 142.1(6) ?
C5 C4 C12 C11 . . . . -143.3(6) ?
C3 C4 C12 C11 . . . . -0.7(7) ?
C19 C11 C12 C13 . . . . 0.2(9) ?
C10 C11 C12 C13 . . . . -142.8(7) ?
C19 C11 C12 C4 . . . . 143.8(7) ?
C10 C11 C12 C4 . . . . 0.9(7) ?
C4 C12 C13 C17 . . . . -137.7(8) ?
C11 C12 C13 C17 . . . . 0.5(10) ?
C4 C12 C13 C14 . . . . 0.7(11) ?
C11 C12 C13 C14 . . . . 138.8(7) ?
C12 C13 C14 C51 . . . . -1.0(12) ?
C17 C13 C14 C51 . . . . 141.0(8) ?
C12 C13 C14 C15 . . . . -143.9(7) ?
C17 C13 C14 C15 . . . . -1.9(9) ?
C51 C14 C15 C40 . . . . -0.4(12) ?
C13 C14 C15 C40 . . . . 142.9(8) ?
C51 C14 C15 C16 . . . . -142.5(9) ?
C13 C14 C15 C16 . . . . 0.8(9) ?
C40 C15 C16 C39 . . . . 0.3(13) ?
C14 C15 C16 C39 . . . . 142.4(9) ?
C40 C15 C16 C17 . . . . -141.6(8) ?
C14 C15 C16 C17 . . . . 0.5(9) ?
C12 C13 C17 C18 . . . . -0.6(11) ?
C14 C13 C17 C18 . . . . -141.7(7) ?
C12 C13 C17 C16 . . . . 143.3(7) ?
C14 C13 C17 C16 . . . . 2.2(9) ?
C39 C16 C17 C18 . . . . 0.4(13) ?
C15 C16 C17 C18 . . . . 142.3(7) ?
C39 C16 C17 C13 . . . . -143.6(10) ?
C15 C16 C17 C13 . . . . -1.7(9) ?
C13 C17 C18 C19 . . . . 0.1(11) ?
C16 C17 C18 C19 . . . . -139.0(8) ?
C13 C17 C18 C26 . . . . 139.4(8) ?
C16 C17 C18 C26 . . . . 0.2(11) ?
C10 C11 C19 C18 . . . . 137.6(7) ?
C12 C11 C19 C18 . . . . -0.6(10) ?
C10 C11 C19 C20 . . . . -0.8(10) ?
C12 C11 C19 C20 . . . . -139.1(7) ?
C17 C18 C19 C11 . . . . 0.5(11) ?
C26 C18 C19 C11 . . . . -142.3(8) ?
C17 C18 C19 C20 . . . . 142.8(7) ?
C26 C18 C19 C20 . . . . 0.1(8) ?
C11 C19 C20 C21 . . . . 2.2(12) ?
C18 C19 C20 C21 . . . . -140.6(10) ?
C11 C19 C20 C25 . . . . 142.2(7) ?
C18 C19 C20 C25 . . . . -0.6(8) ?
C19 C20 C21 C9 . . . . -3.1(17) ?
C25 C20 C21 C9 . . . . -139.5(10) ?
C19 C20 C21 C22 . . . . 137.1(11) ?
C25 C20 C21 C22 . . . . 0.8(17) ?
C10 C9 C21 C20 . . . . 2.8(18) ?
C8 C9 C21 C20 . . . . 144.5(11) ?
C10 C9 C21 C22 . . . . -142.4(9) ?
C8 C9 C21 C22 . . . . -0.6(14) ?
C20 C21 C22 C23 . . . . -0.4(17) ?
C9 C21 C22 C23 . . . . 143.3(9) ?
C20 C21 C22 C60 . . . . -143.1(12) ?
C9 C21 C22 C60 . . . . 0.6(13) ?
C60 C22 C23 C31 . . . . -1.2(10) ?
C21 C22 C23 C31 . . . . -138.6(10) ?
C60 C22 C23 C24 . . . . 137.8(8) ?
C21 C22 C23 C24 . . . . 0.4(11) ?
C22 C23 C24 C25 . . . . -0.7(10) ?
C31 C23 C24 C25 . . . . 142.7(8) ?
C22 C23 C24 C29 . . . . -143.9(6) ?
C31 C23 C24 C29 . . . . -0.5(8) ?
C29 C24 C25 C26 . . . . 2.4(11) ?
C23 C24 C25 C26 . . . . -136.9(8) ?
C29 C24 C25 C20 . . . . 140.4(7) ?
C23 C24 C25 C20 . . . . 1.1(11) ?
C21 C20 C25 C24 . . . . -1.1(12) ?
C19 C20 C25 C24 . . . . -142.2(7) ?
C21 C20 C25 C26 . . . . 142.0(10) ?
C19 C20 C25 C26 . . . . 0.9(9) ?
C24 C25 C26 C27 . . . . -0.1(13) ?
C20 C25 C26 C27 . . . . -142.2(9) ?
C24 C25 C26 C18 . . . . 141.3(8) ?
C20 C25 C26 C18 . . . . -0.9(9) ?
C17 C18 C26 C27 . . . . -1.8(13) ?
C19 C18 C26 C27 . . . . 141.8(10) ?
C17 C18 C26 C25 . . . . -143.1(7) ?
C19 C18 C26 C25 . . . . 0.5(9) ?
C25 C26 C27 C28 . . . . -1.5(15) ?
C18 C26 C27 C28 . . . . -137.7(10) ?
C25 C26 C27 C39 . . . . 138.9(11) ?
C18 C26 C27 C39 . . . . 2.7(16) ?
C26 C27 C28 C29 . . . . 0.5(15) ?
C39 C27 C28 C29 . . . . -142.6(9) ?
C26 C27 C28 C37 . . . . 144.1(10) ?
C39 C27 C28 C37 . . . . 1.0(12) ?
C37 C28 C29 C30 . . . . 0.6(11) ?
C27 C28 C29 C30 . . . . 138.2(9) ?
C37 C28 C29 C24 . . . . -135.8(8) ?
C27 C28 C29 C24 . . . . 1.9(12) ?
C25 C24 C29 C28 . . . . -3.4(11) ?
C23 C24 C29 C28 . . . . 141.3(7) ?
C25 C24 C29 C30 . . . . -143.7(7) ?
C23 C24 C29 C30 . . . . 1.1(8) ?
C28 C29 C30 C35 . . . . 0.2(10) ?
C24 C29 C30 C35 . . . . 141.9(7) ?
C28 C29 C30 C31 . . . . -143.0(7) ?
C24 C29 C30 C31 . . . . -1.3(8) ?
C22 C23 C31 C32 . . . . 0.9(12) ?
C24 C23 C31 C32 . . . . -142.3(8) ?
C22 C23 C31 C30 . . . . 142.8(7) ?
C24 C23 C31 C30 . . . . -0.3(9) ?
C35 C30 C31 C32 . . . . -1.0(12) ?
C29 C30 C31 C32 . . . . 142.6(8) ?
C35 C30 C31 C23 . . . . -142.6(7) ?
C29 C30 C31 C23 . . . . 1.0(9) ?
C23 C31 C32 C33 . . . . 137.9(8) ?
C30 C31 C32 C33 . . . . 0.7(13) ?
C23 C31 C32 C57 . . . . -1.1(13) ?
C30 C31 C32 C57 . . . . -138.3(8) ?
C31 C32 C33 C58 . . . . -141.6(9) ?
C57 C32 C33 C58 . . . . 2.5(9) ?
C31 C32 C33 C34 . . . . 0.7(12) ?
C57 C32 C33 C34 . . . . 144.8(7) ?
C58 C33 C34 C35 . . . . 136.4(8) ?
C32 C33 C34 C35 . . . . -1.9(10) ?
C58 C33 C34 C44 . . . . -0.7(10) ?
C32 C33 C34 C44 . . . . -139.0(7) ?
C29 C30 C35 C34 . . . . -139.4(7) ?
C31 C30 C35 C34 . . . . -0.1(10) ?
C29 C30 C35 C42 . . . . -0.9(11) ?
C31 C30 C35 C42 . . . . 138.3(8) ?
C33 C34 C35 C30 . . . . 1.7(10) ?
C44 C34 C35 C30 . . . . 142.7(6) ?
C33 C34 C35 C42 . . . . -142.2(6) ?
C44 C34 C35 C42 . . . . -1.3(7) ?
C8 C7 C36 C56 . . . . -2.5(19) ?
C2 C7 C36 C56 . . . . 141.1(10) ?
C8 C7 C36 C55 . . . . -144.2(12) ?
C2 C7 C36 C55 . . . . -0.6(14) ?
C29 C28 C37 C42 . . . . -0.6(11) ?
C27 C28 C37 C42 . . . . -143.0(8) ?
C29 C28 C37 C38 . . . . 141.5(10) ?
C27 C28 C37 C38 . . . . -0.9(11) ?
C42 C37 C38 C41 . . . . 3.0(17) ?
C28 C37 C38 C41 . . . . -140.8(11) ?
C42 C37 C38 C39 . . . . 144.3(9) ?
C28 C37 C38 C39 . . . . 0.5(13) ?
C15 C16 C39 C27 . . . . -136.9(11) ?
C17 C16 C39 C27 . . . . 0.5(17) ?
C15 C16 C39 C38 . . . . -1.1(16) ?
C17 C16 C39 C38 . . . . 136.3(11) ?
C26 C27 C39 C16 . . . . -2.1(18) ?
C28 C27 C39 C16 . . . . 141.1(11) ?
C26 C27 C39 C38 . . . . -143.9(12) ?
C28 C27 C39 C38 . . . . -0.7(14) ?
C41 C38 C39 C16 . . . . 1.1(19) ?
C37 C38 C39 C16 . . . . -142.1(11) ?
C41 C38 C39 C27 . . . . 143.3(12) ?
C37 C38 C39 C27 . . . . 0.1(14) ?
C16 C15 C40 C49 . . . . 139.3(8) ?
C14 C15 C40 C49 . . . . 1.4(12) ?
C16 C15 C40 C41 . . . . 0.5(13) ?
C14 C15 C40 C41 . . . . -137.4(9) ?
C37 C38 C41 C40 . . . . 136.8(11) ?
C39 C38 C41 C40 . . . . -0.4(17) ?
C37 C38 C41 C59 . . . . -1.0(18) ?
C39 C38 C41 C59 . . . . -138.2(11) ?
C15 C40 C41 C38 . . . . -0.4(14) ?
C49 C40 C41 C38 . . . . -143.2(10) ?
C15 C40 C41 C59 . . . . 141.2(9) ?
C49 C40 C41 C59 . . . . -1.6(10) ?
C28 C37 C42 C43 . . . . 137.6(7) ?
C38 C37 C42 C43 . . . . -2.6(11) ?
C28 C37 C42 C35 . . . . -0.2(10) ?
C38 C37 C42 C35 . . . . -140.4(9) ?
C30 C35 C42 C37 . . . . 1.0(10) ?
C34 C35 C42 C37 . . . . 143.9(6) ?
C30 C35 C42 C43 . . . . -141.4(7) ?
C34 C35 C42 C43 . . . . 1.5(7) ?
C37 C42 C43 C59 . . . . 0.3(10) ?
C35 C42 C43 C59 . . . . 140.7(7) ?
C37 C42 C43 C44 . . . . -141.5(6) ?
C35 C42 C43 C44 . . . . -1.2(7) ?
C59 C43 C44 C45 . . . . 1.2(10) ?
C42 C43 C44 C45 . . . . 144.0(6) ?
C59 C43 C44 C34 . . . . -142.5(7) ?
C42 C43 C44 C34 . . . . 0.4(7) ?
C33 C34 C44 C45 . . . . -0.1(9) ?
C35 C34 C44 C45 . . . . -143.2(7) ?
C33 C34 C44 C43 . . . . 143.6(6) ?
C35 C34 C44 C43 . . . . 0.6(7) ?
C43 C44 C45 C46 . . . . -138.6(7) ?
C34 C44 C45 C46 . . . . 1.3(9) ?
C43 C44 C45 C47 . . . . -1.9(9) ?
C34 C44 C45 C47 . . . . 138.0(7) ?
C44 C45 C46 C58 . . . . -1.5(10) ?
C47 C45 C46 C58 . . . . -143.1(7) ?
C44 C45 C46 C54 . . . . 141.4(7) ?
C47 C45 C46 C54 . . . . -0.1(8) ?
C44 C45 C47 C48 . . . . 1.1(11) ?
C46 C45 C47 C48 . . . . 142.6(9) ?
C44 C45 C47 C53 . . . . -141.4(6) ?
C46 C45 C47 C53 . . . . 0.0(8) ?
C53 C47 C48 C59 . . . . 139.0(10) ?
C45 C47 C48 C59 . . . . 0.5(16) ?
C53 C47 C48 C49 . . . . 1.7(16) ?
C45 C47 C48 C49 . . . . -136.8(9) ?
C15 C40 C49 C50 . . . . -1.5(12) ?
C41 C40 C49 C50 . . . . 143.1(7) ?
C15 C40 C49 C48 . . . . -143.9(10) ?
C41 C40 C49 C48 . . . . 0.8(10) ?
C47 C48 C49 C50 . . . . -2.5(15) ?
C59 C48 C49 C50 . . . . -143.8(8) ?
C47 C48 C49 C40 . . . . 141.7(11) ?
C59 C48 C49 C40 . . . . 0.4(12) ?
C40 C49 C50 C51 . . . . 0.6(10) ?
C48 C49 C50 C51 . . . . 139.8(9) ?
C40 C49 C50 C52 . . . . -138.0(8) ?
C48 C49 C50 C52 . . . . 1.2(10) ?
C13 C14 C51 C5 . . . . 1.0(13) ?
C15 C14 C51 C5 . . . . 138.7(8) ?
C13 C14 C51 C50 . . . . -138.3(8) ?
C15 C14 C51 C50 . . . . -0.5(12) ?
C4 C5 C51 C14 . . . . -0.8(11) ?
C6 C5 C51 C14 . . . . -143.3(8) ?
C4 C5 C51 C50 . . . . 141.6(7) ?
C6 C5 C51 C50 . . . . -0.9(9) ?
C49 C50 C51 C14 . . . . 0.4(11) ?
C52 C50 C51 C14 . . . . 143.7(8) ?
C49 C50 C51 C5 . . . . -142.2(7) ?
C52 C50 C51 C5 . . . . 1.0(9) ?
C49 C50 C52 C53 . . . . 0.9(9) ?
C51 C50 C52 C53 . . . . -142.4(7) ?
C49 C50 C52 C6 . . . . 142.6(6) ?
C51 C50 C52 C6 . . . . -0.7(7) ?
C1 C6 C52 C53 . . . . 1.3(9) ?
C5 C6 C52 C53 . . . . 143.7(6) ?
C1 C6 C52 C50 . . . . -142.2(6) ?
C5 C6 C52 C50 . . . . 0.2(7) ?
C50 C52 C53 C54 . . . . 136.7(8) ?
C6 C52 C53 C54 . . . . -0.7(10) ?
C50 C52 C53 C47 . . . . -1.7(10) ?
C6 C52 C53 C47 . . . . -139.1(7) ?
C48 C47 C53 C52 . . . . 0.4(11) ?
C45 C47 C53 C52 . . . . 143.1(6) ?
C48 C47 C53 C54 . . . . -142.6(10) ?
C45 C47 C53 C54 . . . . 0.1(8) ?
C52 C53 C54 C55 . . . . -0.7(13) ?
C47 C53 C54 C55 . . . . 140.9(9) ?
C52 C53 C54 C46 . . . . -141.8(7) ?
C47 C53 C54 C46 . . . . -0.2(8) ?
C58 C46 C54 C55 . . . . 0.9(12) ?
C45 C46 C54 C55 . . . . -142.1(9) ?
C58 C46 C54 C53 . . . . 143.2(7) ?
C45 C46 C54 C53 . . . . 0.2(8) ?
C53 C54 C55 C1 . . . . 1.5(15) ?
C46 C54 C55 C1 . . . . 138.1(9) ?
C53 C54 C55 C36 . . . . -138.4(10) ?
C46 C54 C55 C36 . . . . -1.8(15) ?
C6 C1 C55 C54 . . . . -0.9(14) ?
C2 C1 C55 C54 . . . . -144.2(10) ?
C6 C1 C55 C36 . . . . 142.2(9) ?
C2 C1 C55 C36 . . . . -1.1(11) ?
C56 C36 C55 C54 . . . . 2.1(17) ?
C7 C36 C55 C54 . . . . 143.9(12) ?
C56 C36 C55 C1 . . . . -140.7(11) ?
C7 C36 C55 C1 . . . . 1.0(13) ?
C55 C36 C56 C57 . . . . 137.7(11) ?
C7 C36 C56 C57 . . . . 2.6(16) ?
C55 C36 C56 C58 . . . . -1.4(16) ?
C7 C36 C56 C58 . . . . -136.5(12) ?
C36 C56 C57 C60 . . . . -1.0(13) ?
C58 C56 C57 C60 . . . . 142.9(8) ?
C36 C56 C57 C32 . . . . -142.9(9) ?
C58 C56 C57 C32 . . . . 1.0(9) ?
C31 C32 C57 C60 . . . . 1.8(12) ?
C33 C32 C57 C60 . . . . -143.3(8) ?
C31 C32 C57 C56 . . . . 143.0(9) ?
C33 C32 C57 C56 . . . . -2.1(9) ?
C45 C46 C58 C33 . . . . 0.7(10) ?
C54 C46 C58 C33 . . . . -138.0(8) ?
C45 C46 C58 C56 . . . . 138.5(8) ?
C54 C46 C58 C56 . . . . -0.2(11) ?
C34 C33 C58 C46 . . . . 0.5(10) ?
C32 C33 C58 C46 . . . . 140.4(7) ?
C34 C33 C58 C56 . . . . -141.8(7) ?
C32 C33 C58 C56 . . . . -1.9(9) ?
C36 C56 C58 C46 . . . . 0.4(13) ?
C57 C56 C58 C46 . . . . -142.8(8) ?
C36 C56 C58 C33 . . . . 143.7(10) ?
C57 C56 C58 C33 . . . . 0.5(9) ?
C44 C43 C59 C48 . . . . 0.5(13) ?
C42 C43 C59 C48 . . . . -137.0(10) ?
C44 C43 C59 C41 . . . . 139.3(8) ?
C42 C43 C59 C41 . . . . 1.8(12) ?
C47 C48 C59 C43 . . . . -1.3(18) ?
C49 C48 C59 C43 . . . . 141.6(9) ?
C47 C48 C59 C41 . . . . -144.2(11) ?
C49 C48 C59 C41 . . . . -1.4(13) ?
C38 C41 C59 C43 . . . . -1.5(14) ?
C40 C41 C59 C43 . . . . -142.7(8) ?
C38 C41 C59 C48 . . . . 143.1(12) ?
C40 C41 C59 C48 . . . . 1.9(11) ?
C56 C57 C60 C8 . . . . -0.7(12) ?
C32 C57 C60 C8 . . . . 136.4(9) ?
C56 C57 C60 C22 . . . . -139.2(8) ?
C32 C57 C60 C22 . . . . -2.1(12) ?
C7 C8 C60 C57 . . . . 0.7(15) ?
C9 C8 C60 C57 . . . . -142.0(9) ?
C7 C8 C60 C22 . . . . 142.7(10) ?
C9 C8 C60 C22 . . . . 0.0(10) ?
C23 C22 C60 C57 . . . . 1.9(11) ?
C21 C22 C60 C57 . . . . 143.3(10) ?
C23 C22 C60 C8 . . . . -141.8(7) ?
C21 C22 C60 C8 . . . . -0.4(11) ?
C6B C1B C2B C3B . . . . -3(4) ?
C55B C1B C2B C3B . . . . 139(3) ?
C6B C1B C2B C7B . . . . -144(2) ?
C55B C1B C2B C7B . . . . -2(3) ?
C1B C2B C3B C10B . . . . -133(4) ?
C7B C2B C3B C10B . . . . 3(5) ?
C1B C2B C3B C4B . . . . 5(5) ?
C7B C2B C3B C4B . . . . 141(3) ?
C2B C3B C4B C5B . . . . -4(5) ?
C10B C3B C4B C5B . . . . 139(4) ?
C2B C3B C4B C12B . . . . -142(3) ?
C10B C3B C4B C12B . . . . 1(4) ?
C12B C4B C5B C51B . . . . -7(6) ?
C3B C4B C5B C51B . . . . -141(4) ?
C12B C4B C5B C6B . . . . 137(4) ?
C3B C4B C5B C6B . . . . 3(6) ?
C2B C1B C6B C5B . . . . 1(3) ?
C55B C1B C6B C5B . . . . -138(3) ?
C2B C1B C6B C52B . . . . 137(2) ?
C55B C1B C6B C52B . . . . -3(3) ?
C4B C5B C6B C1B . . . . -1(6) ?
C51B C5B C6B C1B . . . . 146(3) ?
C4B C5B C6B C52B . . . . -142(4) ?
C51B C5B C6B C52B . . . . 5(4) ?
C3B C2B C7B C8B . . . . -4(4) ?
C1B C2B C7B C8B . . . . 142(3) ?
C3B C2B C7B C36B . . . . -144(3) ?
C1B C2B C7B C36B . . . . 1(3) ?
C2B C7B C8B C60B . . . . -139(3) ?
C36B C7B C8B C60B . . . . 0(5) ?
C2B C7B C8B C9B . . . . 3(5) ?
C36B C7B C8B C9B . . . . 142(3) ?
C7B C8B C9B C10B . . . . -2(6) ?
C60B C8B C9B C10B . . . . 144(4) ?
C7B C8B C9B C21B . . . . -147(4) ?
C60B C8B C9B C21B . . . . -1(4) ?
C8B C9B C10B C3B . . . . 2(7) ?
C21B C9B C10B C3B . . . . 139(4) ?
C8B C9B C10B C11B . . . . -137(4) ?
C21B C9B C10B C11B . . . . 0(8) ?
C2B C3B C10B C9B . . . . -2(6) ?
C4B C3B C10B C9B . . . . -143(4) ?
C2B C3B C10B C11B . . . . 142(3) ?
C4B C3B C10B C11B . . . . 1(5) ?
C9B C10B C11B C19B . . . . -2(6) ?
C3B C10B C11B C19B . . . . -145(3) ?
C9B C10B C11B C12B . . . . 140(4) ?
C3B C10B C11B C12B . . . . -3(4) ?
C19B C11B C12B C13B . . . . -3(4) ?
C10B C11B C12B C13B . . . . -143(3) ?
C19B C11B C12B C4B . . . . 143(3) ?
C10B C11B C12B C4B . . . . 4(4) ?
C5B C4B C12B C13B . . . . 5(5) ?
C3B C4B C12B C13B . . . . 143(3) ?
C5B C4B C12B C11B . . . . -141(3) ?
C3B C4B C12B C11B . . . . -3(3) ?
C11B C12B C13B C17B . . . . 2(3) ?
C4B C12B C13B C17B . . . . -139(3) ?
C11B C12B C13B C14B . . . . 140(2) ?
C4B C12B C13B C14B . . . . -1(4) ?
C12B C13B C14B C51B . . . . 0(4) ?
C17B C13B C14B C51B . . . . 140(2) ?
C12B C13B C14B C15B . . . . -143(2) ?
C17B C13B C14B C15B . . . . -4(3) ?
C51B C14B C15B C40B . . . . 2(4) ?
C13B C14B C15B C40B . . . . 144(2) ?
C51B C14B C15B C16B . . . . -139(2) ?
C13B C14B C15B C16B . . . . 3(3) ?
C40B C15B C16B C39B . . . . 2(3) ?
C14B C15B C16B C39B . . . . 145(2) ?
C40B C15B C16B C17B . . . . -144(2) ?
C14B C15B C16B C17B . . . . -1(3) ?
C12B C13B C17B C18B . . . . -3(4) ?
C14B C13B C17B C18B . . . . -143(3) ?
C12B C13B C17B C16B . . . . 143(2) ?
C14B C13B C17B C16B . . . . 3(3) ?
C39B C16B C17B C18B . . . . 2(4) ?
C15B C16B C17B C18B . . . . 145(2) ?
C39B C16B C17B C13B . . . . -144(3) ?
C15B C16B C17B C13B . . . . -1(3) ?
C13B C17B C18B C19B . . . . 4(4) ?
C16B C17B C18B C19B . . . . -137(2) ?
C13B C17B C18B C26B . . . . 140(2) ?
C16B C17B C18B C26B . . . . -2(4) ?
C12B C11B C19B C18B . . . . 4(3) ?
C10B C11B C19B C18B . . . . 141(3) ?
C12B C11B C19B C20B . . . . -135(2) ?
C10B C11B C19B C20B . . . . 2(4) ?
C17B C18B C19B C11B . . . . -5(3) ?
C26B C18B C19B C11B . . . . -144(2) ?
C17B C18B C19B C20B . . . . 137(3) ?
C26B C18B C19B C20B . . . . -2(3) ?
C11B C19B C20B C21B . . . . 1(4) ?
C18B C19B C20B C21B . . . . -139(3) ?
C11B C19B C20B C25B . . . . 144(2) ?
C18B C19B C20B C25B . . . . 4(3) ?
C19B C20B C21B C22B . . . . 133(3) ?
C25B C20B C21B C22B . . . . -4(5) ?
C19B C20B C21B C9B . . . . -4(5) ?
C25B C20B C21B C9B . . . . -141(3) ?
C10B C9B C21B C20B . . . . 3(6) ?
C8B C9B C21B C20B . . . . 145(4) ?
C10B C9B C21B C22B . . . . -140(5) ?
C8B C9B C21B C22B . . . . 2(5) ?
C20B C21B C22B C23B . . . . 8(5) ?
C9B C21B C22B C23B . . . . 145(3) ?
C20B C21B C22B C60B . . . . -140(4) ?
C9B C21B C22B C60B . . . . -3(5) ?
C60B C22B C23B C31B . . . . -6(5) ?
C21B C22B C23B C31B . . . . -143(3) ?
C60B C22B C23B C24B . . . . 129(3) ?
C21B C22B C23B C24B . . . . -8(5) ?
C22B C23B C24B C25B . . . . 4(4) ?
C31B C23B C24B C25B . . . . 142(3) ?
C22B C23B C24B C29B . . . . -140(3) ?
C31B C23B C24B C29B . . . . -2(3) ?
C29B C24B C25B C26B . . . . 1(4) ?
C23B C24B C25B C26B . . . . -139(2) ?
C29B C24B C25B C20B . . . . 140(2) ?
C23B C24B C25B C20B . . . . 0(4) ?
C21B C20B C25B C24B . . . . 0(4) ?
C19B C20B C25B C24B . . . . -146(2) ?
C21B C20B C25B C26B . . . . 142(3) ?
C19B C20B C25B C26B . . . . -4(3) ?
C24B C25B C26B C27B . . . . 5(4) ?
C20B C25B C26B C27B . . . . -136(3) ?
C24B C25B C26B C18B . . . . 144(2) ?
C20B C25B C26B C18B . . . . 3(3) ?
C17B C18B C26B C25B . . . . -143(2) ?
C19B C18B C26B C25B . . . . -1(2) ?
C17B C18B C26B C27B . . . . 0(4) ?
C19B C18B C26B C27B . . . . 142(2) ?
C25B C26B C27B C28B . . . . -7(4) ?
C18B C26B C27B C28B . . . . -141(2) ?
C25B C26B C27B C39B . . . . 136(3) ?
C18B C26B C27B C39B . . . . 2(4) ?
C26B C27B C28B C29B . . . . 3(4) ?
C39B C27B C28B C29B . . . . -145(2) ?
C26B C27B C28B C37B . . . . 148(3) ?
C39B C27B C28B C37B . . . . 0(3) ?
C37B C28B C29B C24B . . . . -138(2) ?
C27B C28B C29B C24B . . . . 3(3) ?
C37B C28B C29B C30B . . . . -3(4) ?
C27B C28B C29B C30B . . . . 138(3) ?
C25B C24B C29B C28B . . . . -5(3) ?
C23B C24B C29B C28B . . . . 140(2) ?
C25B C24B C29B C30B . . . . -144(3) ?
C23B C24B C29B C30B . . . . 1(3) ?
C28B C29B C30B C35B . . . . 1(6) ?
C24B C29B C30B C35B . . . . 142(4) ?
C28B C29B C30B C31B . . . . -141(3) ?
C24B C29B C30B C31B . . . . 1(4) ?
C22B C23B C31B C32B . . . . -1(4) ?
C24B C23B C31B C32B . . . . -143(3) ?
C22B C23B C31B C30B . . . . 145(3) ?
C24B C23B C31B C30B . . . . 3(4) ?
C35B C30B C31B C32B . . . . 0(6) ?
C29B C30B C31B C32B . . . . 143(3) ?
C35B C30B C31B C23B . . . . -145(4) ?
C29B C30B C31B C23B . . . . -2(4) ?
C23B C31B C32B C33B . . . . 139(3) ?
C30B C31B C32B C33B . . . . -2(4) ?
C23B C31B C32B C57B . . . . 3(4) ?
C30B C31B C32B C57B . . . . -138(3) ?
C31B C32B C33B C34B . . . . 3(4) ?
C57B C32B C33B C34B . . . . 147(2) ?
C31B C32B C33B C58B . . . . -140(2) ?
C57B C32B C33B C58B . . . . 5(3) ?
C58B C33B C34B C35B . . . . 138(3) ?
C32B C33B C34B C35B . . . . -2(3) ?
C58B C33B C34B C44B . . . . -1(3) ?
C32B C33B C34B C44B . . . . -141(2) ?
C31B C30B C35B C34B . . . . 1(6) ?
C29B C30B C35B C34B . . . . -137(3) ?
C31B C30B C35B C42B . . . . 138(3) ?
C29B C30B C35B C42B . . . . 0(6) ?
C33B C34B C35B C30B . . . . 0(5) ?
C44B C34B C35B C30B . . . . 142(4) ?
C33B C34B C35B C42B . . . . -143(3) ?
C44B C34B C35B C42B . . . . 0(3) ?
C8B C7B C36B C56B . . . . -6(4) ?
C2B C7B C36B C56B . . . . 136(3) ?
C8B C7B C36B C55B . . . . -142(3) ?
C2B C7B C36B C55B . . . . 0(3) ?
C29B C28B C37B C42B . . . . 4(4) ?
C27B C28B C37B C42B . . . . -140(3) ?
C29B C28B C37B C38B . . . . 143(2) ?
C27B C28B C37B C38B . . . . -2(3) ?
C42B C37B C38B C41B . . . . 2(4) ?
C28B C37B C38B C41B . . . . -140(3) ?
C42B C37B C38B C39B . . . . 144(3) ?
C28B C37B C38B C39B . . . . 3(3) ?
C15B C16B C39B C27B . . . . -140(3) ?
C17B C16B C39B C27B . . . . -1(4) ?
C15B C16B C39B C38B . . . . -9(4) ?
C17B C16B C39B C38B . . . . 130(3) ?
C28B C27B C39B C16B . . . . 143(3) ?
C26B C27B C39B C16B . . . . -1(5) ?
C28B C27B C39B C38B . . . . 1(3) ?
C26B C27B C39B C38B . . . . -143(3) ?
C41B C38B C39B C16B . . . . 8(4) ?
C37B C38B C39B C16B . . . . -138(3) ?
C41B C38B C39B C27B . . . . 144(3) ?
C37B C38B C39B C27B . . . . -2(3) ?
C16B C15B C40B C49B . . . . 141(2) ?
C14B C15B C40B C49B . . . . 2(3) ?
C16B C15B C40B C41B . . . . 5(4) ?
C14B C15B C40B C41B . . . . -134(3) ?
C37B C38B C41B C59B . . . . -1(5) ?
C39B C38B C41B C59B . . . . -141(3) ?
C37B C38B C41B C40B . . . . 139(3) ?
C39B C38B C41B C40B . . . . -1(4) ?
C15B C40B C41B C38B . . . . -5(4) ?
C49B C40B C41B C38B . . . . -143(3) ?
C15B C40B C41B C59B . . . . 137(3) ?
C49B C40B C41B C59B . . . . -1(4) ?
C28B C37B C42B C43B . . . . 134(4) ?
C38B C37B C42B C43B . . . . -2(5) ?
C28B C37B C42B C35B . . . . -4(4) ?
C38B C37B C42B C35B . . . . -139(3) ?
C30B C35B C42B C37B . . . . 2(5) ?
C34B C35B C42B C37B . . . . 144(3) ?
C30B C35B C42B C43B . . . . -140(4) ?
C34B C35B C42B C43B . . . . 2(4) ?
C37B C42B C43B C59B . . . . 1(7) ?
C35B C42B C43B C59B . . . . 141(5) ?
C37B C42B C43B C44B . . . . -143(3) ?
C35B C42B C43B C44B . . . . -3(5) ?
C59B C43B C44B C45B . . . . 3(6) ?
C42B C43B C44B C45B . . . . 147(3) ?
C59B C43B C44B C34B . . . . -142(4) ?
C42B C43B C44B C34B . . . . 3(4) ?
C33B C34B C44B C45B . . . . 1(3) ?
C35B C34B C44B C45B . . . . -144(2) ?
C33B C34B C44B C43B . . . . 143(3) ?
C35B C34B C44B C43B . . . . -2(4) ?
C43B C44B C45B C46B . . . . -140(3) ?
C34B C44B C45B C46B . . . . 0(3) ?
C43B C44B C45B C47B . . . . -5(4) ?
C34B C44B C45B C47B . . . . 135(2) ?
C44B C45B C46B C58B . . . . 0(3) ?
C47B C45B C46B C58B . . . . -138(2) ?
C44B C45B C46B C54B . . . . 142.4(19) ?
C47B C45B C46B C54B . . . . 4(2) ?
C44B C45B C47B C48B . . . . 2(4) ?
C46B C45B C47B C48B . . . . 139(3) ?
C44B C45B C47B C53B . . . . -143(2) ?
C46B C45B C47B C53B . . . . -5(3) ?
C53B C47B C48B C59B . . . . 143(3) ?
C45B C47B C48B C59B . . . . 3(5) ?
C53B C47B C48B C49B . . . . 8(5) ?
C45B C47B C48B C49B . . . . -132(3) ?
C15B C40B C49B C50B . . . . -6(4) ?
C41B C40B C49B C50B . . . . 139(3) ?
C15B C40B C49B C48B . . . . -148(3) ?
C41B C40B C49B C48B . . . . -3(3) ?
C47B C48B C49B C50B . . . . -9(5) ?
C59B C48B C49B C50B . . . . -143(3) ?
C47B C48B C49B C40B . . . . 139(3) ?
C59B C48B C49B C40B . . . . 6(4) ?
C40B C49B C50B C51B . . . . 5(4) ?
C48B C49B C50B C51B . . . . 145(3) ?
C40B C49B C50B C52B . . . . -133(3) ?
C48B C49B C50B C52B . . . . 6(4) ?
C13B C14B C51B C5B . . . . -2(4) ?
C15B C14B C51B C5B . . . . 134(3) ?
C13B C14B C51B C50B . . . . -139(2) ?
C15B C14B C51B C50B . . . . -3(3) ?
C4B C5B C51B C14B . . . . 6(6) ?
C6B C5B C51B C14B . . . . -144(3) ?
C4B C5B C51B C50B . . . . 144(4) ?
C6B C5B C51B C50B . . . . -5(4) ?
C49B C50B C51B C14B . . . . 0(3) ?
C52B C50B C51B C14B . . . . 144(2) ?
C49B C50B C51B C5B . . . . -141(3) ?
C52B C50B C51B C5B . . . . 3(3) ?
C49B C50B C52B C53B . . . . -2(4) ?
C51B C50B C52B C53B . . . . -144(2) ?
C49B C50B C52B C6B . . . . 142(2) ?
C51B C50B C52B C6B . . . . 0(2) ?
C1B C6B C52B C53B . . . . 4(3) ?
C5B C6B C52B C53B . . . . 142(3) ?
C1B C6B C52B C50B . . . . -141.4(19) ?
C5B C6B C52B C50B . . . . -3(3) ?
C50B C52B C53B C54B . . . . 140(2) ?
C6B C52B C53B C54B . . . . 0(3) ?
C50B C52B C53B C47B . . . . 0(3) ?
C6B C52B C53B C47B . . . . -139(2) ?
C48B C47B C53B C52B . . . . -4(4) ?
C45B C47B C53B C52B . . . . 145(2) ?
C48B C47B C53B C54B . . . . -144(3) ?
C45B C47B C53B C54B . . . . 5(3) ?
C52B C53B C54B C55B . . . . -5(4) ?
C47B C53B C54B C55B . . . . 136(3) ?
C52B C53B C54B C46B . . . . -143(2) ?
C47B C53B C54B C46B . . . . -2(3) ?
C58B C46B C54B C55B . . . . 0(3) ?
C45B C46B C54B C55B . . . . -144(2) ?
C58B C46B C54B C53B . . . . 143(2) ?
C45B C46B C54B C53B . . . . -1(2) ?
C53B C54B C55B C1B . . . . 5(4) ?
C46B C54B C55B C1B . . . . 139(2) ?
C53B C54B C55B C36B . . . . -135(3) ?
C46B C54B C55B C36B . . . . -1(4) ?
C2B C1B C55B C54B . . . . -144(3) ?
C6B C1B C55B C54B . . . . -1(3) ?
C2B C1B C55B C36B . . . . 2(3) ?
C6B C1B C55B C36B . . . . 145(2) ?
C56B C36B C55B C54B . . . . 1(4) ?
C7B C36B C55B C54B . . . . 142(3) ?
C56B C36B C55B C1B . . . . -142(3) ?
C7B C36B C55B C1B . . . . -1(3) ?
C55B C36B C56B C57B . . . . 139(3) ?
C7B C36B C56B C57B . . . . 8(4) ?
C55B C36B C56B C58B . . . . -1(4) ?
C7B C36B C56B C58B . . . . -132(3) ?
C36B C56B C57B C60B . . . . -3(3) ?
C58B C56B C57B C60B . . . . 143(2) ?
C36B C56B C57B C32B . . . . -143(2) ?
C58B C56B C57B C32B . . . . 3(3) ?
C31B C32B C57B C60B . . . . 0(4) ?
C33B C32B C57B C60B . . . . -144(2) ?
C31B C32B C57B C56B . . . . 139(3) ?
C33B C32B C57B C56B . . . . -4(3) ?
C45B C46B C58B C33B . . . . 0(3) ?
C54B C46B C58B C33B . . . . -138(2) ?
C45B C46B C58B C56B . . . . 139(2) ?
C54B C46B C58B C56B . . . . 1(3) ?
C34B C33B C58B C46B . . . . 0(3) ?
C32B C33B C58B C46B . . . . 141(2) ?
C34B C33B C58B C56B . . . . -144(2) ?
C32B C33B C58B C56B . . . . -3(3) ?
C36B C56B C58B C46B . . . . 0(4) ?
C57B C56B C58B C46B . . . . -144(2) ?
C36B C56B C58B C33B . . . . 144(3) ?
C57B C56B C58B C33B . . . . 0(3) ?
C42B C43B C59B C41B . . . . 0(7) ?
C44B C43B C59B C41B . . . . 139(4) ?
C42B C43B C59B C48B . . . . -135(4) ?
C44B C43B C59B C48B . . . . 3(8) ?
C38B C41B C59B C43B . . . . 0(6) ?
C40B C41B C59B C43B . . . . -141(4) ?
C38B C41B C59B C48B . . . . 146(3) ?
C40B C41B C59B C48B . . . . 4(4) ?
C47B C48B C59B C43B . . . . -6(6) ?
C49B C48B C59B C43B . . . . 134(5) ?
C47B C48B C59B C41B . . . . -147(3) ?
C49B C48B C59B C41B . . . . -6(4) ?
C23B C22B C60B C57B . . . . 9(5) ?
C21B C22B C60B C57B . . . . 148(3) ?
C23B C22B C60B C8B . . . . -137(3) ?
C21B C22B C60B C8B . . . . 3(4) ?
C56B C57B C60B C22B . . . . -143(3) ?
C32B C57B C60B C22B . . . . -5(3) ?
C56B C57B C60B C8B . . . . -3(4) ?
C32B C57B C60B C8B . . . . 135(3) ?
C7B C8B C60B C22B . . . . 146(3) ?
C9B C8B C60B C22B . . . . -1(4) ?
C7B C8B C60B C57B . . . . 4(5) ?
C9B C8B C60B C57B . . . . -143(3) ?
C68 C61 C62 C69 . . . . 2.7(6) ?
C66 C61 C62 C69 . . . . -178.0(4) ?
C68 C61 C62 C63 . . . . -176.7(3) ?
C66 C61 C62 C63 . . . . 2.6(5) ?
C69 C62 C63 C70 . . . . -1.2(5) ?
C61 C62 C63 C70 . . . . 178.3(3) ?
C69 C62 C63 C64 . . . . 178.1(4) ?
C61 C62 C63 C64 . . . . -2.4(5) ?
C70 C63 C64 C71 . . . . -0.2(7) ?
C62 C63 C64 C71 . . . . -179.3(4) ?
C70 C63 C64 C65 . . . . 179.3(4) ?
C62 C63 C64 C65 . . . . 0.2(5) ?
C71 C64 C65 C72 . . . . 0.2(5) ?
C63 C64 C65 C72 . . . . -179.3(4) ?
C71 C64 C65 C66 . . . . -178.5(3) ?
C63 C64 C65 C66 . . . . 1.9(5) ?
C68 C61 C66 C67 . . . . 0.1(5) ?
C62 C61 C66 C67 . . . . -179.3(3) ?
C68 C61 C66 C65 . . . . 178.9(3) ?
C62 C61 C66 C65 . . . . -0.5(5) ?
C72 C65 C66 C67 . . . . -1.7(6) ?
C64 C65 C66 C67 . . . . 176.8(3) ?
C72 C65 C66 C61 . . . . 179.7(4) ?
C64 C65 C66 C61 . . . . -1.8(5) ?
C61 C66 C67 S1 . . . . -0.2(4) ?
C65 C66 C67 S1 . . . . -178.8(3) ?
C68 S1 C67 C66 . . . . 0.1(3) ?
C66 C61 C68 S1 . . . . 0.0(4) ?
C62 C61 C68 S1 . . . . 179.4(3) ?
C67 S1 C68 C61 . . . . -0.1(3) ?
C63 C62 C69 S2 . . . . 1.0(4) ?
C61 C62 C69 S2 . . . . -178.5(3) ?
C70 S2 C69 C62 . . . . -0.4(3) ?
C62 C63 C70 S2 . . . . 0.9(5) ?
C64 C63 C70 S2 . . . . -178.3(3) ?
C69 S2 C70 C63 . . . . -0.3(4) ?
C65 C64 C71 S3 . . . . 0.3(4) ?
C63 C64 C71 S3 . . . . 179.8(3) ?
C72 S3 C71 C64 . . . . -0.5(4) ?
C64 C65 C72 S3 . . . . -0.7(4) ?
C66 C65 C72 S3 . . . . 177.9(3) ?
C71 S3 C72 C65 . . . . 0.7(3) ?
C78 C73 C74 C75 . . . . -0.1(7) ?
C73 C74 C75 C76 . . . . -0.2(7) ?
C74 C75 C76 C77 . . . . 0.3(7) ?
C75 C76 C77 C78 . . . . -0.1(7) ?
C76 C77 C78 C73 . . . . -0.2(6) ?
C76 C77 C78 C79 . . . . -178.9(4) ?
C74 C73 C78 C77 . . . . 0.3(6) ?
C74 C73 C78 C79 . . . . 179.0(4) ?

_cod_database_fobs_code 2243608
