#------------------------------------------------------------------------------
#$Date: 2016-03-25 10:11:39 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179743 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/39/7003915.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_7003915
loop_
_publ_author_name
'Troyanov, Sergey I.'
'Goryunkov, Alexey A.'
'Tamm, Nadezhda B.'
'Markov, Vitaliy Yu.'
'Ioffe, Ilya N.'
'Sidorov, Lev N.'
_publ_section_title
;
 Synthesis, structure and theoretical study of mixed
 fluoro-trifluoromethyl derivatives of C60. Molecular structures of
 C60F18(CF3)6 and C60F16(CF3)6
;
_journal_issue                   19
_journal_name_full               'Dalton Transactions'
_journal_page_first              2627
_journal_page_last               2632
_journal_paper_doi               10.1039/b801214h
_journal_year                    2008
_chemical_formula_sum            'C73 H8 F36'
_chemical_formula_weight         1568.79
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 91.2764(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   11.19450(10)
_cell_length_b                   21.4447(2)
_cell_length_c                   43.5511(5)
_cell_measurement_reflns_used    40000
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      33
_cell_measurement_theta_min      5
_cell_volume                     10452.40(18)
_computing_structure_refinement  'SHELXH-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.770
_diffrn_measured_fraction_theta_max 0.770
_diffrn_measurement_device_type  MAR225
_diffrn_radiation_monochromator  Cu(113)
_diffrn_radiation_source         'BL 14.1, PSF, BESSY, Berlin, Germany'
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.90500
_diffrn_reflns_av_R_equivalents  0.0499
_diffrn_reflns_av_sigmaI/netI    0.0406
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       55
_diffrn_reflns_limit_l_min       -56
_diffrn_reflns_number            44248
_diffrn_reflns_theta_full        35.98
_diffrn_reflns_theta_max         35.98
_diffrn_reflns_theta_min         1.35
_exptl_absorpt_coefficient_mu    0.207
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.994
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             6160
_exptl_crystal_size_max          0.05
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.02
_refine_diff_density_max         0.901
_refine_diff_density_min         -0.650
_refine_diff_density_rms         0.091
_refine_ls_extinction_coef       0.0042(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.213
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     2016
_refine_ls_number_reflns         18466
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.213
_refine_ls_R_factor_all          0.0931
_refine_ls_R_factor_gt           0.0793
_refine_ls_shift/su_max          0.025
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0900P)²+14.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2039
_refine_ls_wR_factor_ref         0.2117
_reflns_number_gt                13803
_reflns_number_total             18466
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b801214h.txt
_cod_data_source_block           f181ap7
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               7003915
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
F1 F 1.4904(2) 0.33787(14) 0.07254(6) 0.0626(7) Uani 1 1 d . . .
F2 F 1.5239(3) 0.22374(16) 0.07115(8) 0.0754(9) Uani 1 1 d . . .
F3 F 1.5138(3) 0.19553(17) 0.12580(8) 0.0772(9) Uani 1 1 d . . .
F4 F 1.4758(3) 0.29845(15) 0.14983(7) 0.0676(8) Uani 1 1 d . . .
F5 F 1.3705(3) 0.25525(16) 0.19498(6) 0.0731(9) Uani 1 1 d . . .
F6 F 1.2679(3) 0.35771(15) 0.19279(6) 0.0703(8) Uani 1 1 d . . .
F7 F 1.0772(3) 0.31854(16) 0.21525(6) 0.0788(9) Uani 1 1 d . . .
F8 F 0.9280(3) 0.39357(15) 0.19249(7) 0.0832(10) Uani 1 1 d . . .
F9 F 1.0564(3) 0.46194(13) 0.15955(7) 0.0728(9) Uani 1 1 d . . .
F10 F 0.8954(3) 0.48831(12) 0.12183(8) 0.0738(9) Uani 1 1 d . . .
F11 F 1.0692(3) 0.49868(11) 0.08770(7) 0.0595(7) Uani 1 1 d . . .
F12 F 0.9562(3) 0.47175(11) 0.03915(7) 0.0611(7) Uani 1 1 d . . .
F13 F 1.1143(2) 0.42535(12) 0.00690(6) 0.0578(7) Uani 1 1 d . . .
F14 F 1.2964(2) 0.43424(12) 0.04165(6) 0.0538(6) Uani 1 1 d . . .
F15 F 1.4030(2) 0.34386(14) 0.01962(6) 0.0626(7) Uani 1 1 d . . .
F16 F 1.3024(3) 0.26091(15) -0.00625(6) 0.0737(9) Uani 1 1 d . . .
F17 F 1.2668(3) 0.15842(16) 0.19491(7) 0.0735(9) Uani 1 1 d . . .
F18 F 0.7253(3) 0.42371(14) 0.11107(8) 0.0774(9) Uani 1 1 d . . .
F61A F 1.3770(4) 0.0594(2) 0.05308(13) 0.1310(18) Uani 1 1 d . . .
F61B F 1.3646(9) 0.0358(3) 0.09841(19) 0.275(6) Uani 1 1 d . . .
F61C F 1.4993(5) 0.0986(3) 0.08374(18) 0.184(3) Uani 1 1 d . . .
F62A F 1.1907(7) 0.0644(2) 0.00472(14) 0.117(3) Uani 0.76 1 d P . .
F62B F 1.311(3) 0.1040(12) 0.0056(3) 0.195(14) Uani 0.36 1 d P . .
F62C F 1.2664(17) 0.1410(7) -0.0168(4) 0.256(12) Uani 0.76 1 d P . .
F62D F 1.205(2) 0.1564(10) -0.0236(2) 0.137(10) Uani 0.36 1 d P . .
F62E F 1.0801(6) 0.1114(3) -0.01784(14) 0.123(2) Uani 0.76 1 d P . .
F63A F 1.0954(9) -0.0023(3) 0.1417(3) 0.090(4) Uani 0.557(18) 1 d P . .
F63B F 1.0692(10) 0.0203(6) 0.1636(5) 0.110(8) Uani 0.443(18) 1 d P . .
F63C F 1.1217(14) 0.0464(4) 0.18420(19) 0.113(5) Uani 0.557(18) 1 d P . .
F63D F 1.2429(13) 0.0503(5) 0.1781(3) 0.093(5) Uani 0.443(18) 1 d P . .
F63E F 1.2661(8) 0.0296(5) 0.1548(4) 0.104(5) Uani 0.557(18) 1 d P . .
F63F F 1.2213(16) 0.0047(5) 0.1355(3) 0.105(6) Uani 0.443(18) 1 d P . .
F64A F 0.7378(4) 0.07419(17) 0.03207(8) 0.1017(13) Uani 1 1 d . . .
F64B F 0.8619(9) 0.0939(4) -0.00294(12) 0.243(6) Uani 1 1 d . . .
F64C F 0.7255(8) 0.1583(3) 0.00871(19) 0.240(6) Uani 1 1 d . . .
F65A F 0.8820(4) 0.00187(16) 0.06104(10) 0.1080(14) Uani 1 1 d . . .
F65B F 0.9860(9) -0.0217(3) 0.1050(2) 0.109(3) Uani 0.50 1 d P . .
F65C F 1.0729(4) -0.00044(15) 0.06308(11) 0.1137(16) Uani 1 1 d . . .
F65D F 0.9597(7) 0.0270(3) 0.01968(15) 0.086(2) Uani 0.50 1 d P . .
F66A F 0.7296(3) 0.03771(16) 0.09884(8) 0.0839(10) Uani 1 1 d . . .
F66B F 0.7014(3) 0.08868(17) 0.13946(10) 0.0930(11) Uani 1 1 d . . .
F66C F 0.8383(3) 0.02031(15) 0.13880(9) 0.0843(10) Uani 1 1 d . . .
F67 F -0.0152(2) 0.11000(12) 0.36453(6) 0.0527(6) Uani 1 1 d . . .
F68 F -0.0150(2) 0.21751(12) 0.38556(6) 0.0543(7) Uani 1 1 d . . .
F69 F 0.1156(2) 0.20640(12) 0.43158(6) 0.0547(7) Uani 1 1 d . . .
F70 F 0.1694(2) 0.09430(12) 0.42914(6) 0.0526(6) Uani 1 1 d . . .
F71 F 0.3638(3) 0.10745(12) 0.45737(5) 0.0561(7) Uani 1 1 d . . .
F72 F 0.4164(2) 0.01404(11) 0.42627(5) 0.0506(6) Uani 1 1 d . . .
F73 F 0.6360(2) 0.03849(12) 0.42416(6) 0.0531(6) Uani 1 1 d . . .
F74 F 0.6921(2) -0.01196(11) 0.37550(6) 0.0525(6) Uani 1 1 d . . .
F75 F 0.4988(2) -0.05710(10) 0.35643(6) 0.0499(6) Uani 1 1 d . . .
F76 F 0.5465(2) -0.05195(11) 0.30109(6) 0.0554(7) Uani 1 1 d . . .
F77 F 0.3255(2) -0.04244(11) 0.29572(6) 0.0565(7) Uani 1 1 d . . .
F78 F 0.3251(3) 0.01949(13) 0.24652(6) 0.0636(7) Uani 1 1 d . . .
F79 F 0.1376(3) 0.08152(14) 0.24942(6) 0.0644(8) Uani 1 1 d . . .
F80 F 0.0562(2) 0.04428(12) 0.29972(6) 0.0575(7) Uani 1 1 d . . .
F81 F -0.0542(2) 0.14157(13) 0.31061(7) 0.0586(7) Uani 1 1 d . . .
F82 F -0.0034(3) 0.24015(13) 0.29000(7) 0.0627(7) Uani 1 1 d . . .
F83 F 0.4758(3) 0.20132(14) 0.45768(6) 0.0619(7) Uani 1 1 d . . .
F84 F 0.6840(3) 0.02045(13) 0.27952(6) 0.0640(8) Uani 1 1 d . . .
F85A F 0.0677(3) 0.32575(15) 0.41253(8) 0.0833(10) Uani 1 1 d . . .
F85B F 0.1068(3) 0.38463(16) 0.37437(8) 0.0892(11) Uani 1 1 d . . .
F85C F 0.2265(3) 0.38200(15) 0.41325(8) 0.0811(9) Uani 1 1 d . . .
F86A F 0.0383(4) 0.3584(2) 0.2948(2) 0.198(4) Uani 1 1 d . . .
F86B F 0.1785(6) 0.3865(2) 0.27272(10) 0.151(2) Uani 1 1 d . . .
F86C F 0.1582(7) 0.41741(18) 0.31477(12) 0.175(3) Uani 1 1 d . . .
F87A F 0.4890(5) 0.3210(2) 0.45647(9) 0.135(2) Uani 1 1 d . . .
F87B F 0.4625(6) 0.39158(19) 0.42515(12) 0.160(3) Uani 1 1 d . . .
F87C F 0.6288(3) 0.3495(2) 0.43100(10) 0.1079(15) Uani 1 1 d . . .
F88A F 0.5139(3) 0.34328(17) 0.23747(7) 0.0877(11) Uani 1 1 d . . .
F88B F 0.6169(4) 0.39413(17) 0.27065(9) 0.0988(12) Uani 1 1 d . . .
F88C F 0.4297(4) 0.41444(17) 0.26418(11) 0.1097(14) Uani 1 1 d . . .
F89A F 0.4268(3) 0.44366(13) 0.35471(8) 0.0785(9) Uani 1 1 d . . .
F89B F 0.3676(7) 0.4553(3) 0.30685(16) 0.0817(19) Uani 0.50 1 d P . .
F89C F 0.5658(4) 0.44691(16) 0.32224(12) 0.1152(16) Uani 1 1 d . . .
F89D F 0.5970(6) 0.4324(3) 0.37654(16) 0.0793(18) Uani 0.50 1 d P . .
F90A F 0.7664(3) 0.38956(13) 0.32901(7) 0.0686(8) Uani 1 1 d . . .
F90B F 0.8591(3) 0.3135(2) 0.34985(12) 0.1174(17) Uani 1 1 d . . .
F90C F 0.7611(5) 0.3775(2) 0.37780(9) 0.135(2) Uani 1 1 d . . .
C1 C 1.2942(4) 0.3170(2) 0.12404(10) 0.0450(10) Uani 1 1 d . . .
C2 C 1.2063(4) 0.3419(2) 0.14163(10) 0.0459(10) Uani 1 1 d . . .
C3 C 1.1243(4) 0.38144(19) 0.12881(10) 0.0449(10) Uani 1 1 d . . .
C4 C 1.1298(4) 0.39694(17) 0.09840(9) 0.0400(9) Uani 1 1 d . . .
C5 C 1.2182(4) 0.37261(18) 0.08075(9) 0.0411(9) Uani 1 1 d . . .
C6 C 1.2999(4) 0.3325(2) 0.09358(9) 0.0423(10) Uani 1 1 d . . .
C7 C 1.3825(4) 0.3054(2) 0.07111(11) 0.0511(11) Uani 1 1 d . . .
C8 C 1.4094(4) 0.2372(2) 0.08045(12) 0.0568(12) Uani 1 1 d . . .
C9 C 1.4018(4) 0.2188(2) 0.11716(12) 0.0574(12) Uani 1 1 d . . .
C10 C 1.3706(4) 0.2704(2) 0.14010(11) 0.0542(12) Uani 1 1 d . . .
C11 C 1.2924(4) 0.2566(2) 0.17017(10) 0.0551(12) Uani 1 1 d . . .
C12 C 1.2087(5) 0.3171(2) 0.17341(10) 0.0549(12) Uani 1 1 d . . .
C13 C 1.0778(5) 0.3113(2) 0.18394(10) 0.0587(13) Uani 1 1 d . . .
C14 C 0.9763(5) 0.3608(2) 0.16872(11) 0.0612(13) Uani 1 1 d . . .
C15 C 1.0200(5) 0.4089(2) 0.14430(11) 0.0540(12) Uani 1 1 d . . .
C16 C 0.9378(5) 0.4305(2) 0.11543(12) 0.0575(13) Uani 1 1 d . . .
C17 C 1.0313(4) 0.43764(19) 0.08784(11) 0.0486(11) Uani 1 1 d . . .
C18 C 0.9974(4) 0.41923(19) 0.05403(11) 0.0488(11) Uani 1 1 d . . .
C19 C 1.1062(4) 0.3886(2) 0.03250(10) 0.0469(10) Uani 1 1 d . . .
C20 C 1.2314(4) 0.3809(2) 0.04726(10) 0.0448(10) Uani 1 1 d . . .
C21 C 1.3170(4) 0.3226(2) 0.03899(10) 0.0505(11) Uani 1 1 d . . .
C22 C 1.2524(5) 0.2666(2) 0.02289(10) 0.0536(12) Uani 1 1 d . . .
C23 C 1.2611(4) 0.2043(2) 0.03905(11) 0.0548(12) Uani 1 1 d . . .
C24 C 1.3238(4) 0.1926(2) 0.06506(11) 0.0551(12) Uani 1 1 d . . .
C25 C 1.2994(5) 0.1376(2) 0.08585(12) 0.0605(13) Uani 1 1 d . . .
C26 C 1.3129(5) 0.1658(2) 0.11696(11) 0.0561(12) Uani 1 1 d . . .
C27 C 1.2424(5) 0.1528(2) 0.14064(11) 0.0553(12) Uani 1 1 d . . .
C28 C 1.2265(5) 0.1920(2) 0.16914(10) 0.0547(12) Uani 1 1 d . . .
C29 C 1.0919(4) 0.1966(2) 0.16936(10) 0.0489(11) Uani 1 1 d . . .
C30 C 1.0276(4) 0.2486(2) 0.17471(10) 0.0515(12) Uani 1 1 d . . .
C31 C 0.9121(4) 0.2542(2) 0.16203(11) 0.0524(12) Uani 1 1 d . . .
C32 C 0.8857(4) 0.3175(2) 0.15419(11) 0.0529(12) Uani 1 1 d . . .
C33 C 0.8187(4) 0.3299(2) 0.12891(12) 0.0537(12) Uani 1 1 d . . .
C34 C 0.8293(4) 0.3874(2) 0.10826(12) 0.0557(12) Uani 1 1 d . . .
C35 C 0.8287(4) 0.3566(2) 0.07667(12) 0.0509(11) Uani 1 1 d . . .
C36 C 0.9044(4) 0.36825(19) 0.05381(11) 0.0457(10) Uani 1 1 d . . .
C37 C 0.9351(4) 0.3201(2) 0.03332(10) 0.0464(10) Uani 1 1 d . . .
C38 C 1.0544(4) 0.3257(2) 0.02431(9) 0.0450(10) Uani 1 1 d . . .
C39 C 1.1202(4) 0.2728(2) 0.01953(9) 0.0481(11) Uani 1 1 d . . .
C40 C 1.0641(5) 0.2131(2) 0.02055(10) 0.0536(12) Uani 1 1 d . . .
C41 C 1.1561(5) 0.1633(2) 0.02739(11) 0.0599(13) Uani 1 1 d . . .
C42 C 1.1092(5) 0.1250(2) 0.05369(11) 0.0557(12) Uani 1 1 d . . .
C43 C 1.1757(5) 0.1149(2) 0.08061(12) 0.0590(13) Uani 1 1 d . . .
C44 C 1.1004(6) 0.0991(2) 0.10466(12) 0.0627(14) Uani 1 1 d . . .
C45 C 1.1354(5) 0.1073(2) 0.13787(11) 0.0577(12) Uani 1 1 d . . .
C46 C 1.0404(5) 0.1457(2) 0.15263(11) 0.0516(12) Uani 1 1 d . . .
C47 C 0.9251(5) 0.1488(2) 0.14171(11) 0.0559(12) Uani 1 1 d . . .
C48 C 0.8605(4) 0.2048(2) 0.14583(11) 0.0538(12) Uani 1 1 d . . .
C49 C 0.7875(4) 0.2176(2) 0.11937(12) 0.0544(12) Uani 1 1 d . . .
C50 C 0.7705(4) 0.2793(2) 0.11065(13) 0.0550(12) Uani 1 1 d . . .
C51 C 0.7760(4) 0.2950(2) 0.07932(12) 0.0503(11) Uani 1 1 d . . .
C52 C 0.7996(4) 0.2487(2) 0.05797(12) 0.0519(11) Uani 1 1 d . . .
C53 C 0.8819(4) 0.2615(2) 0.03453(10) 0.0499(11) Uani 1 1 d . . .
C54 C 0.9456(5) 0.2074(2) 0.02737(11) 0.0540(12) Uani 1 1 d . . .
C55 C 0.8877(5) 0.1502(2) 0.04304(12) 0.0603(13) Uani 1 1 d . . .
C56 C 0.9839(6) 0.1109(3) 0.05918(12) 0.0739(17) Uani 1 1 d . . .
C57 C 0.9793(6) 0.0946(3) 0.09256(14) 0.0732(17) Uani 1 1 d . . .
C58 C 0.8752(5) 0.1145(2) 0.11270(12) 0.0589(13) Uani 1 1 d . . .
C59 C 0.8059(4) 0.1689(2) 0.09703(12) 0.0567(12) Uani 1 1 d . . .
C60 C 0.8124(4) 0.1841(2) 0.06697(12) 0.0546(12) Uani 1 1 d . . .
C61 C 1.3895(8) 0.0829(4) 0.08042(18) 0.096(2) Uani 1 1 d . . .
C62 C 1.1878(7) 0.1226(3) -0.00104(14) 0.0852(19) Uani 1 1 d . . .
C63 C 1.1616(7) 0.0434(3) 0.15428(14) 0.0741(17) Uani 1 1 d . . .
C64 C 0.8023(9) 0.1176(4) 0.01965(16) 0.113(3) Uani 1 1 d . . .
C65A C 0.9940(12) 0.0138(5) 0.0810(3) 0.070(3) Uani 0.50 1 d P . .
C65 C 0.9591(10) 0.0330(4) 0.0496(3) 0.064(3) Uani 0.50 1 d P . .
C66 C 0.7852(5) 0.0637(2) 0.12232(13) 0.0604(13) Uani 1 1 d . . .
C67 C 0.2629(4) 0.09980(17) 0.38195(9) 0.0391(9) Uani 1 1 d . . .
C68 C 0.3665(4) 0.06566(17) 0.38060(9) 0.0366(9) Uani 1 1 d . . .
C69 C 0.3976(4) 0.03810(17) 0.35344(9) 0.0383(9) Uani 1 1 d . . .
C70 C 0.3245(4) 0.04444(18) 0.32784(9) 0.0409(9) Uani 1 1 d . . .
C71 C 0.2210(4) 0.07809(18) 0.32942(10) 0.0415(9) Uani 1 1 d . . .
C72 C 0.1904(4) 0.10576(18) 0.35641(9) 0.0402(9) Uani 1 1 d . . .
C73 C 0.0807(4) 0.1439(2) 0.35423(10) 0.0452(10) Uani 1 1 d . . .
C74 C 0.0968(4) 0.2015(2) 0.37541(10) 0.0447(10) Uani 1 1 d . . .
C75 C 0.1846(4) 0.1939(2) 0.40643(10) 0.0450(10) Uani 1 1 d . . .
C76 C 0.2460(4) 0.13006(19) 0.41197(9) 0.0432(10) Uani 1 1 d . . .
C77 C 0.3769(4) 0.12516(19) 0.42743(9) 0.0443(10) Uani 1 1 d . . .
C78 C 0.4384(4) 0.06724(18) 0.40947(9) 0.0436(10) Uani 1 1 d . . .
C79 C 0.5709(4) 0.06775(19) 0.40123(9) 0.0442(10) Uani 1 1 d . . .
C80 C 0.6111(4) 0.03404(19) 0.36801(10) 0.0432(10) Uani 1 1 d . . .
C81 C 0.5103(4) 0.00463(18) 0.34770(10) 0.0420(9) Uani 1 1 d . . .
C82 C 0.5132(4) 0.00601(19) 0.31038(10) 0.0472(10) Uani 1 1 d . . .
C83 C 0.3744(4) 0.01632(19) 0.29981(10) 0.0465(10) Uani 1 1 d . . .
C84 C 0.3371(4) 0.0574(2) 0.27194(10) 0.0511(11) Uani 1 1 d . . .
C85 C 0.2099(4) 0.0984(2) 0.27418(10) 0.0510(11) Uani 1 1 d . . .
C86 C 0.1367(4) 0.0926(2) 0.30371(10) 0.0480(10) Uani 1 1 d . . .
C87 C 0.0630(4) 0.1509(2) 0.31764(11) 0.0472(10) Uani 1 1 d . . .
C88 C 0.0996(4) 0.2163(2) 0.30499(11) 0.0501(11) Uani 1 1 d . . .
C89 C 0.1446(4) 0.2641(2) 0.32850(10) 0.0462(10) Uani 1 1 d . . .
C90 C 0.1495(4) 0.25583(19) 0.35885(10) 0.0427(10) Uani 1 1 d . . .
C91 C 0.2275(4) 0.29441(19) 0.38004(10) 0.0456(10) Uani 1 1 d . . .
C92 C 0.2737(4) 0.24586(19) 0.40257(9) 0.0424(10) Uani 1 1 d . . .
C93 C 0.3865(4) 0.24375(19) 0.41317(9) 0.0434(10) Uani 1 1 d . . .
C94 C 0.4476(4) 0.1870(2) 0.42707(9) 0.0440(10) Uani 1 1 d . . .
C95 C 0.5604(4) 0.18576(19) 0.40917(9) 0.0415(9) Uani 1 1 d . . .
C96 C 0.6132(4) 0.1342(2) 0.39719(9) 0.0437(10) Uani 1 1 d . . .
C97 C 0.6838(4) 0.1400(2) 0.37068(10) 0.0439(10) Uani 1 1 d . . .
C98 C 0.6698(4) 0.08674(19) 0.35139(10) 0.0431(10) Uani 1 1 d . . .
C99 C 0.6692(4) 0.0940(2) 0.32030(10) 0.0438(10) Uani 1 1 d . . .
C100 C 0.6018(4) 0.0540(2) 0.29656(10) 0.0479(11) Uani 1 1 d . . .
C101 C 0.5441(5) 0.1048(2) 0.27676(9) 0.0493(12) Uani 1 1 d . . .
C102 C 0.4275(5) 0.1070(2) 0.26686(9) 0.0478(11) Uani 1 1 d . . .
C103 C 0.3740(4) 0.1665(2) 0.26229(9) 0.0492(11) Uani 1 1 d . . .
C104 C 0.2525(4) 0.1640(2) 0.27060(9) 0.0481(11) Uani 1 1 d . . .
C105 C 0.2017(4) 0.2159(2) 0.28328(10) 0.0466(10) Uani 1 1 d . . .
C106 C 0.2680(4) 0.2726(2) 0.28606(9) 0.0473(10) Uani 1 1 d . . .
C107 C 0.2202(4) 0.3132(2) 0.31142(10) 0.0496(11) Uani 1 1 d . . .
C108 C 0.3255(4) 0.3319(2) 0.33132(10) 0.0493(11) Uani 1 1 d . . .
C109 C 0.3276(4) 0.32194(18) 0.36285(10) 0.0434(10) Uani 1 1 d . . .
C110 C 0.4457(4) 0.32122(19) 0.37388(10) 0.0474(11) Uani 1 1 d . . .
C111 C 0.4828(4) 0.2909(2) 0.40391(10) 0.0473(10) Uani 1 1 d . . .
C112 C 0.5843(4) 0.2461(2) 0.39684(10) 0.0460(10) Uani 1 1 d . . .
C113 C 0.6571(4) 0.2533(2) 0.37210(10) 0.0487(11) Uani 1 1 d . . .
C114 C 0.7047(4) 0.1994(2) 0.35819(10) 0.0455(10) Uani 1 1 d . . .
C115 C 0.7059(4) 0.2069(2) 0.32580(10) 0.0477(10) Uani 1 1 d . . .
C116 C 0.6862(4) 0.1555(2) 0.30745(10) 0.0468(10) Uani 1 1 d . . .
C117 C 0.6095(4) 0.1617(2) 0.28106(9) 0.0470(10) Uani 1 1 d . . .
C118 C 0.5586(4) 0.2194(2) 0.27440(10) 0.0512(12) Uani 1 1 d . . .
C119 C 0.4364(4) 0.2213(2) 0.26488(9) 0.0485(11) Uani 1 1 d . . .
C120 C 0.3830(4) 0.2766(2) 0.27660(10) 0.0508(11) Uani 1 1 d . . .
C121 C 0.4810(4) 0.3202(2) 0.28951(10) 0.0525(11) Uani 1 1 d . . .
C122 C 0.4440(5) 0.3431(3) 0.32144(12) 0.0640(14) Uani 1 1 d . . .
C123 C 0.5237(4) 0.3368(2) 0.34879(11) 0.0531(11) Uani 1 1 d . . .
C124 C 0.6482(4) 0.3062(2) 0.34797(11) 0.0502(11) Uani 1 1 d . . .
C125 C 0.6569(4) 0.2673(2) 0.31825(11) 0.0500(11) Uani 1 1 d . . .
C126 C 0.5846(4) 0.2736(2) 0.29292(10) 0.0503(11) Uani 1 1 d . . .
C127 C 0.1544(5) 0.3471(2) 0.39552(12) 0.0579(12) Uani 1 1 d . . .
C128 C 0.1459(5) 0.3697(2) 0.29925(12) 0.0550(12) Uani 1 1 d . . .
C129 C 0.5156(5) 0.3393(2) 0.42920(11) 0.0548(12) Uani 1 1 d . . .
C130 C 0.5103(5) 0.3700(3) 0.26469(14) 0.0677(14) Uani 1 1 d . . .
C131 C 0.4509(10) 0.4279(5) 0.3237(2) 0.062(3) Uani 0.50 1 d P . .
C132 C 0.5321(9) 0.4163(4) 0.3525(3) 0.058(3) Uani 0.50 1 d P . .
C133 C 0.7605(6) 0.3484(3) 0.35149(13) 0.0699(15) Uani 1 1 d . . .
C134 C 0.7248(4) 0.3968(2) -0.00771(10) 0.0482(11) Uani 1 1 d . . .
C135 C 0.6879(4) 0.3352(2) -0.00948(10) 0.0492(11) Uani 1 1 d . . .
H135 H 0.6206 0.3222 0.0018 0.059 Uiso 1 1 calc R . .
C136 C 0.7476(4) 0.2921(2) -0.02744(10) 0.0509(11) Uani 1 1 d . . .
H136 H 0.7213 0.2500 -0.0283 0.061 Uiso 1 1 calc R . .
C137 C 0.8453(4) 0.3107(2) -0.04395(11) 0.0547(12) Uani 1 1 d . . .
H137 H 0.8860 0.2816 -0.0564 0.066 Uiso 1 1 calc R . .
C138 C 0.8833(4) 0.3716(2) -0.04227(11) 0.0572(12) Uani 1 1 d . . .
H138 H 0.9507 0.3844 -0.0536 0.069 Uiso 1 1 calc R . .
C139 C 0.8247(4) 0.4140(2) -0.02437(11) 0.0535(11) Uani 1 1 d . . .
H139 H 0.8526 0.4558 -0.0233 0.064 Uiso 1 1 calc R . .
C140 C 0.6580(5) 0.4441(3) 0.01105(12) 0.0661(14) Uani 1 1 d . . .
H14A H 0.6060 0.4690 -0.0026 0.099 Uiso 1 1 calc R . .
H14B H 0.7152 0.4715 0.0218 0.099 Uiso 1 1 calc R . .
H14C H 0.6093 0.4224 0.0261 0.099 Uiso 1 1 calc R . .
C141 C 0.7915(8) 0.1349(4) 0.2208(2) 0.108(2) Uiso 1 1 d . . .
C142 C 0.8471(6) 0.1824(3) 0.23258(15) 0.0804(17) Uiso 1 1 d . . .
C143 C 0.8197(10) 0.2410(5) 0.2319(2) 0.077(3) Uiso 0.60 1 d P . .
C144 C 0.7351(12) 0.2674(6) 0.2192(3) 0.111(4) Uiso 0.70 1 d P . .
C145 C 0.6636(7) 0.2314(4) 0.20547(17) 0.095(2) Uiso 1 1 d . . .
C146 C 0.6497(8) 0.1763(4) 0.20153(19) 0.105(2) Uiso 1 1 d . . .
C147 C 0.6835(11) 0.1244(6) 0.2055(3) 0.109(3) Uiso 0.70 1 d P . .
C148 C 0.8275(14) 0.0708(8) 0.2221(3) 0.199(6) Uiso 1 1 d . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 '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
_geom_angle_publ_flag
C62 F62A F62B 60.0(7) . . ?
F62C F62B C62 50.3(9) . . ?
F62C F62B F62A 89.8(17) . . ?
C62 F62B F62A 49.1(10) . . ?
F62D F62C C62 73.2(16) . . ?
F62D F62C F62B 143(2) . . ?
C62 F62C F62B 69.8(13) . . ?
F62C F62D C62 67.7(15) . . ?
F62C F62D F62E 114(2) . . ?
C62 F62D F62E 54.4(10) . . ?
C62 F62E F62D 45.3(6) . . ?
F63B F63A C63 59.0(7) . . ?
F63B F63A F63F 113.1(11) . . ?
C63 F63A F63F 57.9(6) . . ?
F63A F63B F63C 135.1(13) . . ?
F63A F63B C63 69.6(8) . . ?
F63C F63B C63 69.9(10) . . ?
F63B F63C C63 55.9(6) . . ?
F63B F63C F63D 110.4(11) . . ?
C63 F63C F63D 59.1(7) . . ?
F63E F63D C63 56.5(7) . . ?
F63E F63D F63C 112.9(11) . . ?
C63 F63D F63C 60.3(7) . . ?
F63F F63E F63D 139.0(15) . . ?
F63F F63E C63 71.4(10) . . ?
F63D F63E C63 71.5(9) . . ?
F63E F63F C63 57.6(7) . . ?
F63E F63F F63A 109.3(11) . . ?
C63 F63F F63A 56.9(7) . . ?
C65 F65A C65A 63.8(7) . . ?
C65A F65C C65 62.2(8) . . ?
C132 F89A C131 68.7(7) . . ?
C131 F89C C132 64.9(6) . . ?
C2 C1 C6 119.8(4) . . ?
C2 C1 C10 114.4(4) . . ?
C6 C1 C10 125.6(4) . . ?
C3 C2 C1 120.0(4) . . ?
C3 C2 C12 127.2(4) . . ?
C1 C2 C12 112.7(4) . . ?
C2 C3 C4 120.3(4) . . ?
C2 C3 C15 126.2(4) . . ?
C4 C3 C15 113.4(4) . . ?
C3 C4 C5 120.0(4) . . ?
C3 C4 C17 113.4(4) . . ?
C5 C4 C17 126.6(4) . . ?
C6 C5 C4 119.7(4) . . ?
C6 C5 C20 113.4(4) . . ?
C4 C5 C20 126.7(4) . . ?
C5 C6 C1 120.2(4) . . ?
C5 C6 C7 113.5(4) . . ?
C1 C6 C7 126.0(4) . . ?
F1 C7 C6 109.1(4) . . ?
F1 C7 C8 107.3(4) . . ?
C6 C7 C8 108.6(4) . . ?
F1 C7 C21 107.6(3) . . ?
C6 C7 C21 101.9(4) . . ?
C8 C7 C21 121.9(4) . . ?
F2 C8 C24 108.8(4) . . ?
F2 C8 C7 107.2(4) . . ?
C24 C8 C7 111.5(4) . . ?
F2 C8 C9 107.6(4) . . ?
C24 C8 C9 103.5(4) . . ?
C7 C8 C9 117.8(4) . . ?
F3 C9 C26 108.7(4) . . ?
F3 C9 C10 107.4(4) . . ?
C26 C9 C10 112.8(4) . . ?
F3 C9 C8 106.4(4) . . ?
C26 C9 C8 102.8(4) . . ?
C10 C9 C8 118.3(4) . . ?
F4 C10 C1 109.4(4) . . ?
F4 C10 C9 108.0(4) . . ?
C1 C10 C9 108.4(4) . . ?
F4 C10 C11 107.7(4) . . ?
C1 C10 C11 100.9(4) . . ?
C9 C10 C11 121.9(4) . . ?
F5 C11 C28 107.1(4) . . ?
F5 C11 C12 108.0(4) . . ?
C28 C11 C12 116.1(4) . . ?
F5 C11 C10 107.1(4) . . ?
C28 C11 C10 113.6(4) . . ?
C12 C11 C10 104.5(4) . . ?
F6 C12 C2 110.2(4) . . ?
F6 C12 C13 108.4(4) . . ?
C2 C12 C13 107.9(4) . . ?
F6 C12 C11 106.9(4) . . ?
C2 C12 C11 101.8(4) . . ?
C13 C12 C11 121.2(4) . . ?
F7 C13 C30 110.9(4) . . ?
F7 C13 C12 108.1(4) . . ?
C30 C13 C12 110.0(4) . . ?
F7 C13 C14 107.6(4) . . ?
C30 C13 C14 102.3(4) . . ?
C12 C13 C14 117.9(4) . . ?
F8 C14 C32 111.1(4) . . ?
F8 C14 C15 108.0(4) . . ?
C32 C14 C15 109.8(4) . . ?
F8 C14 C13 107.5(4) . . ?
C32 C14 C13 102.7(4) . . ?
C15 C14 C13 117.7(4) . . ?
F9 C15 C3 108.7(4) . . ?
F9 C15 C14 108.1(4) . . ?
C3 C15 C14 108.0(4) . . ?
F9 C15 C16 107.3(4) . . ?
C3 C15 C16 101.6(4) . . ?
C14 C15 C16 122.5(4) . . ?
F10 C16 C34 108.0(4) . . ?
F10 C16 C15 107.4(4) . . ?
C34 C16 C15 114.7(4) . . ?
F10 C16 C17 107.5(4) . . ?
C34 C16 C17 115.0(4) . . ?
C15 C16 C17 103.8(4) . . ?
F11 C17 C4 109.6(4) . . ?
F11 C17 C18 107.7(3) . . ?
C4 C17 C18 108.0(3) . . ?
F11 C17 C16 107.4(3) . . ?
C4 C17 C16 101.8(4) . . ?
C18 C17 C16 121.9(4) . . ?
F12 C18 C36 111.5(4) . . ?
F12 C18 C17 108.0(3) . . ?
C36 C18 C17 110.0(4) . . ?
F12 C18 C19 107.2(3) . . ?
C36 C18 C19 102.8(3) . . ?
C17 C18 C19 117.3(4) . . ?
F13 C19 C38 110.8(3) . . ?
F13 C19 C20 109.0(3) . . ?
C38 C19 C20 110.1(4) . . ?
F13 C19 C18 106.9(3) . . ?
C38 C19 C18 101.6(3) . . ?
C20 C19 C18 118.2(4) . . ?
F14 C20 C5 109.8(3) . . ?
F14 C20 C19 108.4(3) . . ?
C5 C20 C19 108.3(4) . . ?
F14 C20 C21 106.5(3) . . ?
C5 C20 C21 101.5(3) . . ?
C19 C20 C21 121.8(4) . . ?
F15 C21 C22 107.7(3) . . ?
F15 C21 C7 107.3(4) . . ?
C22 C21 C7 114.3(4) . . ?
F15 C21 C20 107.9(3) . . ?
C22 C21 C20 115.1(4) . . ?
C7 C21 C20 104.1(3) . . ?
F16 C22 C39 109.5(4) . . ?
F16 C22 C23 108.7(4) . . ?
C39 C22 C23 100.3(4) . . ?
F16 C22 C21 106.4(4) . . ?
C39 C22 C21 115.2(4) . . ?
C23 C22 C21 116.5(4) . . ?
C24 C23 C22 125.9(5) . . ?
C24 C23 C41 123.3(4) . . ?
C22 C23 C41 108.0(4) . . ?
C23 C24 C8 125.0(5) . . ?
C23 C24 C25 123.5(5) . . ?
C8 C24 C25 110.5(4) . . ?
C43 C25 C26 110.4(4) . . ?
C43 C25 C24 110.1(4) . . ?
C26 C25 C24 102.2(4) . . ?
C43 C25 C61 109.5(5) . . ?
C26 C25 C61 112.9(5) . . ?
C24 C25 C61 111.5(4) . . ?
C27 C26 C25 124.5(5) . . ?
C27 C26 C9 123.3(5) . . ?
C25 C26 C9 111.4(4) . . ?
C26 C27 C28 126.8(5) . . ?
C26 C27 C45 122.5(5) . . ?
C28 C27 C45 108.0(4) . . ?
F17 C28 C27 109.3(4) . . ?
F17 C28 C29 109.4(4) . . ?
C27 C28 C29 100.2(4) . . ?
F17 C28 C11 106.8(4) . . ?
C27 C28 C11 116.7(4) . . ?
C29 C28 C11 114.2(4) . . ?
C30 C29 C46 120.6(5) . . ?
C30 C29 C28 126.2(4) . . ?
C46 C29 C28 109.8(4) . . ?
C29 C30 C31 119.6(5) . . ?
C29 C30 C13 125.8(5) . . ?
C31 C30 C13 111.4(4) . . ?
C48 C31 C30 120.3(5) . . ?
C48 C31 C32 121.4(5) . . ?
C30 C31 C32 111.0(4) . . ?
C33 C32 C31 119.4(5) . . ?
C33 C32 C14 125.5(4) . . ?
C31 C32 C14 110.6(5) . . ?
C32 C33 C50 119.9(4) . . ?
C32 C33 C34 126.2(5) . . ?
C50 C33 C34 108.3(4) . . ?
F18 C34 C35 109.3(4) . . ?
F18 C34 C33 108.6(4) . . ?
C35 C34 C33 100.5(4) . . ?
F18 C34 C16 107.3(4) . . ?
C35 C34 C16 115.2(4) . . ?
C33 C34 C16 115.5(4) . . ?
C36 C35 C51 119.4(4) . . ?
C36 C35 C34 126.7(4) . . ?
C51 C35 C34 108.4(4) . . ?
C35 C36 C37 119.9(4) . . ?
C35 C36 C18 125.1(4) . . ?
C37 C36 C18 110.9(4) . . ?
C53 C37 C38 119.8(4) . . ?
C53 C37 C36 121.7(4) . . ?
C38 C37 C36 111.1(4) . . ?
C39 C38 C37 119.3(4) . . ?
C39 C38 C19 124.8(4) . . ?
C37 C38 C19 111.9(4) . . ?
C38 C39 C40 119.9(4) . . ?
C38 C39 C22 126.5(4) . . ?
C40 C39 C22 110.7(4) . . ?
C54 C40 C39 121.0(4) . . ?
C54 C40 C41 123.6(4) . . ?
C39 C40 C41 110.0(4) . . ?
C40 C41 C42 106.6(4) . . ?
C40 C41 C23 99.9(4) . . ?
C42 C41 C23 109.6(4) . . ?
C40 C41 C62 113.9(5) . . ?
C42 C41 C62 112.7(4) . . ?
C23 C41 C62 113.2(5) . . ?
C43 C42 C56 109.1(4) . . ?
C43 C42 C41 122.3(5) . . ?
C56 C42 C41 126.0(5) . . ?
C42 C43 C44 110.4(5) . . ?
C42 C43 C25 124.0(4) . . ?
C44 C43 C25 122.7(5) . . ?
C43 C44 C57 108.5(5) . . ?
C43 C44 C45 123.0(5) . . ?
C57 C44 C45 125.5(5) . . ?
C46 C45 C44 107.8(4) . . ?
C46 C45 C27 100.1(4) . . ?
C44 C45 C27 109.5(4) . . ?
C46 C45 C63 114.2(4) . . ?
C44 C45 C63 112.2(4) . . ?
C27 C45 C63 112.3(5) . . ?
C47 C46 C29 120.5(5) . . ?
C47 C46 C45 123.4(5) . . ?
C29 C46 C45 110.8(4) . . ?
C46 C47 C48 118.6(5) . . ?
C46 C47 C58 125.4(5) . . ?
C48 C47 C58 109.2(4) . . ?
C31 C48 C47 120.2(5) . . ?
C31 C48 C49 119.2(4) . . ?
C47 C48 C49 110.2(5) . . ?
C50 C49 C48 118.5(5) . . ?
C50 C49 C59 121.7(5) . . ?
C48 C49 C59 108.5(4) . . ?
C49 C50 C51 119.0(5) . . ?
C49 C50 C33 121.2(5) . . ?
C51 C50 C33 109.3(4) . . ?
C52 C51 C50 119.3(4) . . ?
C52 C51 C35 120.9(4) . . ?
C50 C51 C35 108.7(4) . . ?
C51 C52 C53 118.7(4) . . ?
C51 C52 C60 121.5(5) . . ?
C53 C52 C60 108.5(4) . . ?
C37 C53 C54 121.3(5) . . ?
C37 C53 C52 119.1(4) . . ?
C54 C53 C52 110.1(4) . . ?
C40 C54 C53 118.3(4) . . ?
C40 C54 C55 125.6(5) . . ?
C53 C54 C55 109.7(4) . . ?
C56 C55 C60 109.9(4) . . ?
C56 C55 C64 118.1(5) . . ?
C60 C55 C64 108.7(6) . . ?
C56 C55 C54 110.0(5) . . ?
C60 C55 C54 99.5(4) . . ?
C64 C55 C54 109.0(4) . . ?
C42 C56 C57 105.2(5) . . ?
C42 C56 C55 118.7(5) . . ?
C57 C56 C55 122.4(5) . . ?
C42 C56 C65 107.9(5) . . ?
C57 C56 C65 90.0(6) . . ?
C55 C56 C65 108.2(6) . . ?
C44 C57 C56 106.6(5) . . ?
C44 C57 C58 119.4(5) . . ?
C56 C57 C58 122.3(5) . . ?
C44 C57 C65A 94.3(6) . . ?
C56 C57 C65A 87.0(5) . . ?
C58 C57 C65A 120.0(5) . . ?
C57 C58 C59 109.7(4) . . ?
C57 C58 C66 117.8(4) . . ?
C59 C58 C66 109.0(4) . . ?
C57 C58 C47 109.4(4) . . ?
C59 C58 C47 99.8(4) . . ?
C66 C58 C47 109.7(4) . . ?
C60 C59 C49 119.2(4) . . ?
C60 C59 C58 124.8(5) . . ?
C49 C59 C58 108.9(4) . . ?
C59 C60 C52 119.1(5) . . ?
C59 C60 C55 125.7(5) . . ?
C52 C60 C55 108.8(4) . . ?
F61C C61 F61A 106.9(6) . . ?
F61C C61 F61B 110.7(8) . . ?
F61A C61 F61B 103.3(8) . . ?
F61C C61 C25 113.8(7) . . ?
F61A C61 C25 111.8(6) . . ?
F61B C61 C25 109.8(6) . . ?
F62C C62 F62D 39.1(16) . . ?
F62C C62 F62A 114.8(10) . . ?
F62D C62 F62A 136.5(10) . . ?
F62C C62 F62E 112.8(12) . . ?
F62D C62 F62E 80.3(12) . . ?
F62A C62 F62E 87.3(7) . . ?
F62C C62 F62B 59.9(12) . . ?
F62D C62 F62B 99.0(16) . . ?
F62A C62 F62B 70.9(12) . . ?
F62E C62 F62B 147.7(10) . . ?
F62C C62 C41 117.1(7) . . ?
F62D C62 C41 110.1(10) . . ?
F62A C62 C41 113.4(5) . . ?
F62E C62 C41 107.4(5) . . ?
F62B C62 C41 103.1(8) . . ?
F63E C63 F63B 136.1(7) . . ?
F63E C63 F63A 110.9(9) . . ?
F63B C63 F63A 51.3(9) . . ?
F63E C63 F63F 50.9(8) . . ?
F63B C63 F63F 112.7(11) . . ?
F63A C63 F63F 65.2(8) . . ?
F63E C63 F63D 52.0(8) . . ?
F63B C63 F63D 110.2(11) . . ?
F63A C63 F63D 137.7(6) . . ?
F63F C63 F63D 101.2(12) . . ?
F63E C63 F63C 109.0(10) . . ?
F63B C63 F63C 54.2(9) . . ?
F63A C63 F63C 103.3(9) . . ?
F63F C63 F63C 140.3(7) . . ?
F63D C63 F63C 60.6(7) . . ?
F63E C63 C45 113.2(6) . . ?
F63B C63 C45 110.7(7) . . ?
F63A C63 C45 111.0(6) . . ?
F63F C63 C45 110.5(6) . . ?
F63D C63 C45 111.3(6) . . ?
F63C C63 C45 109.1(6) . . ?
F64B C64 F64A 109.4(7) . . ?
F64B C64 F64C 109.2(7) . . ?
F64A C64 F64C 105.2(8) . . ?
F64B C64 C55 110.7(8) . . ?
F64A C64 C55 112.9(5) . . ?
F64C C64 C55 109.2(7) . . ?
F65C C65A F65B 115.4(11) . . ?
F65C C65A C65 70.1(7) . . ?
F65B C65A C65 152.9(11) . . ?
F65C C65A F65A 100.9(9) . . ?
F65B C65A F65A 106.8(9) . . ?
C65 C65A F65A 47.3(6) . . ?
F65C C65A C57 118.9(7) . . ?
F65B C65A C57 109.1(8) . . ?
C65 C65A C57 88.1(7) . . ?
F65A C65A C57 103.8(7) . . ?
F65A C65 F65D 112.1(9) . . ?
F65A C65 C65A 68.9(8) . . ?
F65D C65 C65A 152.8(10) . . ?
F65A C65 F65C 100.1(8) . . ?
F65D C65 F65C 107.8(8) . . ?
C65A C65 F65C 47.7(6) . . ?
F65A C65 C56 122.9(8) . . ?
F65D C65 C56 109.1(7) . . ?
C65A C65 C56 90.5(7) . . ?
F65C C65 C56 103.0(7) . . ?
F66A C66 F66C 109.1(4) . . ?
F66A C66 F66B 106.4(5) . . ?
F66C C66 F66B 107.3(4) . . ?
F66A C66 C58 112.9(4) . . ?
F66C C66 C58 111.0(4) . . ?
F66B C66 C58 109.9(4) . . ?
C72 C67 C68 120.1(4) . . ?
C72 C67 C76 126.4(4) . . ?
C68 C67 C76 113.4(4) . . ?
C67 C68 C69 119.8(4) . . ?
C67 C68 C78 113.3(4) . . ?
C69 C68 C78 126.7(4) . . ?
C68 C69 C70 119.9(4) . . ?
C68 C69 C81 126.0(4) . . ?
C70 C69 C81 113.9(4) . . ?
C71 C70 C69 120.0(4) . . ?
C71 C70 C83 126.2(4) . . ?
C69 C70 C83 113.6(4) . . ?
C70 C71 C72 120.0(4) . . ?
C70 C71 C86 126.8(4) . . ?
C72 C71 C86 113.0(4) . . ?
C71 C72 C67 120.2(4) . . ?
C71 C72 C73 114.1(4) . . ?
C67 C72 C73 125.5(4) . . ?
F67 C73 C72 109.8(3) . . ?
F67 C73 C74 107.9(3) . . ?
C72 C73 C74 108.5(4) . . ?
F67 C73 C87 106.9(3) . . ?
C72 C73 C87 101.5(3) . . ?
C74 C73 C87 121.7(3) . . ?
F68 C74 C90 109.3(3) . . ?
F68 C74 C73 107.1(3) . . ?
C90 C74 C73 112.0(3) . . ?
F68 C74 C75 106.8(3) . . ?
C90 C74 C75 103.6(3) . . ?
C73 C74 C75 117.7(3) . . ?
F69 C75 C92 109.2(3) . . ?
F69 C75 C76 107.6(3) . . ?
C92 C75 C76 112.3(4) . . ?
F69 C75 C74 107.1(3) . . ?
C92 C75 C74 102.6(3) . . ?
C76 C75 C74 117.8(3) . . ?
F70 C76 C67 109.2(3) . . ?
F70 C76 C75 107.3(3) . . ?
C67 C76 C75 108.4(3) . . ?
F70 C76 C77 108.0(3) . . ?
C67 C76 C77 102.1(3) . . ?
C75 C76 C77 121.4(4) . . ?
F71 C77 C94 108.3(3) . . ?
F71 C77 C76 107.6(3) . . ?
C94 C77 C76 113.8(3) . . ?
F71 C77 C78 107.5(3) . . ?
C94 C77 C78 115.3(3) . . ?
C76 C77 C78 103.9(3) . . ?
F72 C78 C68 109.4(3) . . ?
F72 C78 C79 108.3(3) . . ?
C68 C78 C79 108.2(3) . . ?
F72 C78 C77 107.1(3) . . ?
C68 C78 C77 101.4(3) . . ?
C79 C78 C77 121.9(4) . . ?
F73 C79 C96 110.6(4) . . ?
F73 C79 C78 109.0(3) . . ?
C96 C79 C78 109.9(3) . . ?
F73 C79 C80 106.3(3) . . ?
C96 C79 C80 102.4(3) . . ?
C78 C79 C80 118.4(3) . . ?
F74 C80 C98 111.2(3) . . ?
F74 C80 C81 108.1(3) . . ?
C98 C80 C81 110.6(3) . . ?
F74 C80 C79 106.9(3) . . ?
C98 C80 C79 102.6(3) . . ?
C81 C80 C79 117.3(3) . . ?
F75 C81 C69 109.4(3) . . ?
F75 C81 C80 107.6(3) . . ?
C69 C81 C80 108.6(3) . . ?
F75 C81 C82 107.2(3) . . ?
C69 C81 C82 101.3(3) . . ?
C80 C81 C82 122.1(3) . . ?
F76 C82 C100 107.8(3) . . ?
F76 C82 C81 107.0(3) . . ?
C100 C82 C81 115.1(4) . . ?
F76 C82 C83 107.8(3) . . ?
C100 C82 C83 114.4(4) . . ?
C81 C82 C83 104.2(3) . . ?
F77 C83 C70 108.8(3) . . ?
F77 C83 C84 108.6(4) . . ?
C70 C83 C84 108.3(4) . . ?
F77 C83 C82 106.6(3) . . ?
C70 C83 C82 101.4(3) . . ?
C84 C83 C82 122.6(4) . . ?
F78 C84 C102 110.9(4) . . ?
F78 C84 C83 108.3(4) . . ?
C102 C84 C83 110.5(4) . . ?
F78 C84 C85 106.8(4) . . ?
C102 C84 C85 102.5(4) . . ?
C83 C84 C85 117.8(4) . . ?
F79 C85 C104 110.3(4) . . ?
F79 C85 C86 108.5(4) . . ?
C104 C85 C86 109.8(4) . . ?
F79 C85 C84 107.5(3) . . ?
C104 C85 C84 102.3(4) . . ?
C86 C85 C84 118.2(4) . . ?
F80 C86 C71 109.9(3) . . ?
F80 C86 C85 108.2(3) . . ?
C71 C86 C85 107.8(4) . . ?
F80 C86 C87 106.8(4) . . ?
C71 C86 C87 101.5(3) . . ?
C85 C86 C87 122.2(4) . . ?
F81 C87 C88 108.2(4) . . ?
F81 C87 C73 107.9(3) . . ?
C88 C87 C73 113.8(4) . . ?
F81 C87 C86 107.4(4) . . ?
C88 C87 C86 114.8(4) . . ?
C73 C87 C86 104.3(3) . . ?
F82 C88 C105 109.7(4) . . ?
F82 C88 C89 108.8(4) . . ?
C105 C88 C89 100.5(4) . . ?
F82 C88 C87 105.7(4) . . ?
C105 C88 C87 115.2(4) . . ?
C89 C88 C87 116.8(4) . . ?
C90 C89 C88 125.6(4) . . ?
C90 C89 C107 123.7(4) . . ?
C88 C89 C107 108.1(4) . . ?
C89 C90 C74 124.9(4) . . ?
C89 C90 C91 123.1(4) . . ?
C74 C90 C91 111.2(4) . . ?
C109 C91 C90 110.1(4) . . ?
C109 C91 C92 110.5(4) . . ?
C90 C91 C92 101.8(3) . . ?
C109 C91 C127 109.9(4) . . ?
C90 C91 C127 111.2(4) . . ?
C92 C91 C127 113.2(4) . . ?
C93 C92 C75 124.0(4) . . ?
C93 C92 C91 123.7(4) . . ?
C75 C92 C91 111.3(4) . . ?
C92 C93 C94 125.5(4) . . ?
C92 C93 C111 123.3(4) . . ?
C94 C93 C111 108.7(4) . . ?
F83 C94 C95 108.9(4) . . ?
F83 C94 C93 107.2(3) . . ?
C95 C94 C93 100.6(3) . . ?
F83 C94 C77 106.5(3) . . ?
C95 C94 C77 115.3(3) . . ?
C93 C94 C77 117.8(4) . . ?
C96 C95 C112 120.3(4) . . ?
C96 C95 C94 126.2(4) . . ?
C112 C95 C94 110.2(4) . . ?
C95 C96 C97 119.6(4) . . ?
C95 C96 C79 125.5(4) . . ?
C97 C96 C79 111.0(4) . . ?
C114 C97 C96 119.7(4) . . ?
C114 C97 C98 121.0(4) . . ?
C96 C97 C98 110.7(4) . . ?
C99 C98 C97 119.5(4) . . ?
C99 C98 C80 124.9(4) . . ?
C97 C98 C80 111.3(4) . . ?
C98 C99 C116 119.4(4) . . ?
C98 C99 C100 126.8(4) . . ?
C116 C99 C100 108.5(4) . . ?
F84 C100 C101 110.1(3) . . ?
F84 C100 C99 109.2(4) . . ?
C101 C100 C99 100.3(4) . . ?
F84 C100 C82 107.3(3) . . ?
C101 C100 C82 115.1(4) . . ?
C99 C100 C82 114.7(3) . . ?
C102 C101 C117 119.5(4) . . ?
C102 C101 C100 126.4(4) . . ?
C117 C101 C100 109.0(4) . . ?
C101 C102 C103 118.2(4) . . ?
C101 C102 C84 125.2(4) . . ?
C103 C102 C84 112.1(4) . . ?
C119 C103 C104 120.1(4) . . ?
C119 C103 C102 123.1(5) . . ?
C104 C103 C102 109.5(4) . . ?
C105 C104 C103 118.8(4) . . ?
C105 C104 C85 125.8(4) . . ?
C103 C104 C85 111.9(4) . . ?
C104 C105 C106 120.4(4) . . ?
C104 C105 C88 126.0(4) . . ?
C106 C105 C88 110.0(4) . . ?
C120 C106 C105 121.4(4) . . ?
C120 C106 C107 122.4(4) . . ?
C105 C106 C107 111.1(4) . . ?
C108 C107 C106 106.8(4) . . ?
C108 C107 C89 109.5(3) . . ?
C106 C107 C89 99.4(4) . . ?
C108 C107 C128 113.4(4) . . ?
C106 C107 C128 113.2(4) . . ?
C89 C107 C128 113.5(4) . . ?
C109 C108 C122 109.2(4) . . ?
C109 C108 C107 121.7(4) . . ?
C122 C108 C107 126.5(4) . . ?
C108 C109 C110 109.7(4) . . ?
C108 C109 C91 124.2(4) . . ?
C110 C109 C91 122.8(4) . . ?
C109 C110 C123 108.6(4) . . ?
C109 C110 C111 122.9(4) . . ?
C123 C110 C111 126.3(4) . . ?
C110 C111 C112 106.8(4) . . ?
C110 C111 C93 109.2(4) . . ?
C112 C111 C93 99.7(3) . . ?
C110 C111 C129 112.5(4) . . ?
C112 C111 C129 113.5(4) . . ?
C93 C111 C129 114.2(4) . . ?
C113 C112 C95 121.1(4) . . ?
C113 C112 C111 123.0(4) . . ?
C95 C112 C111 110.4(4) . . ?
C112 C113 C114 118.6(4) . . ?
C112 C113 C124 125.8(4) . . ?
C114 C113 C124 109.1(4) . . ?
C97 C114 C113 120.4(4) . . ?
C97 C114 C115 119.5(4) . . ?
C113 C114 C115 110.2(4) . . ?
C116 C115 C114 118.7(4) . . ?
C116 C115 C125 122.1(4) . . ?
C114 C115 C125 108.4(4) . . ?
C115 C116 C117 118.6(4) . . ?
C115 C116 C99 121.8(4) . . ?
C117 C116 C99 108.3(4) . . ?
C118 C117 C116 119.2(4) . . ?
C118 C117 C101 121.6(5) . . ?
C116 C117 C101 108.8(4) . . ?
C117 C118 C119 118.3(4) . . ?
C117 C118 C126 121.6(5) . . ?
C119 C118 C126 108.7(4) . . ?
C103 C119 C118 119.0(4) . . ?
C103 C119 C120 121.7(4) . . ?
C118 C119 C120 109.2(4) . . ?
C106 C120 C119 117.4(4) . . ?
C106 C120 C121 126.8(4) . . ?
C119 C120 C121 109.5(4) . . ?
C126 C121 C120 99.9(4) . . ?
C126 C121 C122 109.8(4) . . ?
C120 C121 C122 108.7(4) . . ?
C126 C121 C130 110.0(4) . . ?
C120 C121 C130 108.8(4) . . ?
C122 C121 C130 118.1(4) . . ?
C108 C122 C123 106.9(4) . . ?
C108 C122 C121 119.3(5) . . ?
C123 C122 C121 121.9(4) . . ?
C108 C122 C131 101.1(5) . . ?
C123 C122 C131 91.4(5) . . ?
C121 C122 C131 110.8(5) . . ?
C110 C123 C122 105.4(4) . . ?
C110 C123 C124 118.6(4) . . ?
C122 C123 C124 123.4(4) . . ?
C110 C123 C132 101.1(5) . . ?
C122 C123 C132 90.9(5) . . ?
C124 C123 C132 112.2(5) . . ?
C123 C124 C125 108.9(4) . . ?
C123 C124 C113 110.0(4) . . ?
C125 C124 C113 99.7(3) . . ?
C123 C124 C133 118.7(4) . . ?
C125 C124 C133 109.3(4) . . ?
C113 C124 C133 108.6(4) . . ?
C126 C125 C115 119.4(4) . . ?
C126 C125 C124 125.4(4) . . ?
C115 C125 C124 108.9(4) . . ?
C125 C126 C118 118.9(4) . . ?
C125 C126 C121 125.3(4) . . ?
C118 C126 C121 109.1(4) . . ?
F85A C127 F85B 108.2(4) . . ?
F85A C127 F85C 108.3(4) . . ?
F85B C127 F85C 106.8(4) . . ?
F85A C127 C91 113.1(4) . . ?
F85B C127 C91 110.3(4) . . ?
F85C C127 C91 109.9(4) . . ?
F86C C128 F86A 110.1(6) . . ?
F86C C128 F86B 103.4(6) . . ?
F86A C128 F86B 102.1(6) . . ?
F86C C128 C107 114.0(4) . . ?
F86A C128 C107 114.4(4) . . ?
F86B C128 C107 111.6(4) . . ?
F87B C129 F87C 108.2(5) . . ?
F87B C129 F87A 106.1(5) . . ?
F87C C129 F87A 104.0(5) . . ?
F87B C129 C111 112.7(4) . . ?
F87C C129 C111 112.0(4) . . ?
F87A C129 C111 113.2(4) . . ?
F88C C130 F88B 109.7(5) . . ?
F88C C130 F88A 109.6(5) . . ?
F88B C130 F88A 107.6(5) . . ?
F88C C130 C121 110.7(5) . . ?
F88B C130 C121 109.6(5) . . ?
F88A C130 C121 109.7(4) . . ?
F89B C131 F89C 120.3(8) . . ?
F89B C131 F89A 106.0(9) . . ?
F89C C131 F89A 99.9(7) . . ?
F89B C131 C132 156.7(10) . . ?
F89C C131 C132 62.9(6) . . ?
F89A C131 C132 52.6(5) . . ?
F89B C131 C122 112.9(7) . . ?
F89C C131 C122 109.7(7) . . ?
F89A C131 C122 106.2(6) . . ?
C132 C131 C122 84.7(6) . . ?
F89D C132 F89A 107.7(8) . . ?
F89D C132 F89C 115.8(7) . . ?
F89A C132 F89C 96.4(7) . . ?
F89D C132 C131 155.5(9) . . ?
F89A C132 C131 58.8(6) . . ?
F89C C132 C131 52.1(6) . . ?
F89D C132 C123 111.4(8) . . ?
F89A C132 C123 113.6(7) . . ?
F89C C132 C123 111.2(7) . . ?
C131 C132 C123 93.1(7) . . ?
F90C C133 F90A 109.3(5) . . ?
F90C C133 F90B 109.0(6) . . ?
F90A C133 F90B 106.2(5) . . ?
F90C C133 C124 110.7(4) . . ?
F90A C133 C124 111.7(5) . . ?
F90B C133 C124 109.7(5) . . ?
C135 C134 C139 117.7(4) . . ?
C135 C134 C140 121.3(4) . . ?
C139 C134 C140 121.0(5) . . ?
C134 C135 C136 121.2(4) . . ?
C137 C136 C135 119.8(4) . . ?
C138 C137 C136 119.6(4) . . ?
C137 C138 C139 120.5(4) . . ?
C138 C139 C134 121.2(5) . . ?
C142 C141 C147 136.5(10) . . ?
C142 C141 C148 127.5(10) . . ?
C147 C141 C148 95.9(10) . . ?
C142 C141 C146 100.8(7) . . ?
C147 C141 C146 35.9(6) . . ?
C148 C141 C146 131.7(9) . . ?
C141 C142 C143 130.1(9) . . ?
C144 C143 C142 129.7(11) . . ?
C144 C143 C145 33.4(7) . . ?
C142 C143 C145 96.4(7) . . ?
C145 C144 C143 114.2(12) . . ?
C146 C145 C144 138.7(10) . . ?
C146 C145 C143 106.3(7) . . ?
C144 C145 C143 32.5(7) . . ?
C147 C146 C145 149.3(11) . . ?
C147 C146 C141 43.2(7) . . ?
C145 C146 C141 106.2(7) . . ?
C146 C147 C141 100.9(11) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
F1 C7 1.395(5) . ?
F2 C8 1.383(5) . ?
F3 C9 1.393(6) . ?
F4 C10 1.381(6) . ?
F5 C11 1.374(5) . ?
F6 C12 1.373(5) . ?
F7 C13 1.373(5) . ?
F8 C14 1.372(5) . ?
F9 C15 1.375(5) . ?
F10 C16 1.359(5) . ?
F11 C17 1.376(5) . ?
F12 C18 1.374(5) . ?
F13 C19 1.370(5) . ?
F14 C20 1.380(5) . ?
F15 C21 1.373(5) . ?
F16 C22 1.404(5) . ?
F17 C28 1.400(5) . ?
F18 C34 1.408(5) . ?
F61A C61 1.297(9) . ?
F61B C61 1.312(9) . ?
F61C C61 1.279(10) . ?
F62A C62 1.273(9) . ?
F62A F62B 1.59(3) . ?
F62B F62C 1.34(2) . ?
F62B C62 1.46(2) . ?
F62C F62D 0.82(3) . ?
F62C C62 1.196(11) . ?
F62D C62 1.237(16) . ?
F62D F62E 1.72(2) . ?
F62E C62 1.416(10) . ?
F63A F63B 1.114(16) . ?
F63A C63 1.338(10) . ?
F63A F63F 1.450(16) . ?
F63B F63C 1.199(19) . ?
F63B C63 1.224(11) . ?
F63C C63 1.388(11) . ?
F63C F63D 1.392(15) . ?
F63D F63E 1.140(15) . ?
F63D C63 1.372(12) . ?
F63E F63F 1.109(16) . ?
F63E C63 1.206(10) . ?
F63F C63 1.354(12) . ?
F64A C64 1.302(7) . ?
F64B C64 1.304(12) . ?
F64C C64 1.308(12) . ?
F65A C65 1.206(11) . ?
F65A C65A 1.530(14) . ?
F65B C65A 1.299(13) . ?
F65C C65A 1.230(12) . ?
F65C C65 1.565(12) . ?
F65D C65 1.310(13) . ?
F66A C66 1.310(6) . ?
F66B C66 1.325(6) . ?
F66C C66 1.310(6) . ?
F67 C73 1.380(5) . ?
F68 C74 1.380(5) . ?
F69 C75 1.381(5) . ?
F70 C76 1.382(4) . ?
F71 C77 1.369(4) . ?
F72 C78 1.381(4) . ?
F73 C79 1.374(5) . ?
F74 C80 1.374(5) . ?
F75 C81 1.384(4) . ?
F76 C82 1.362(5) . ?
F77 C83 1.383(5) . ?
F78 C84 1.377(5) . ?
F79 C85 1.382(5) . ?
F80 C86 1.381(5) . ?
F81 C87 1.355(5) . ?
F82 C88 1.409(5) . ?
F83 C94 1.398(5) . ?
F84 C100 1.395(5) . ?
F85A C127 1.316(6) . ?
F85B C127 1.326(6) . ?
F85C C127 1.335(6) . ?
F86A C128 1.240(7) . ?
F86B C128 1.272(6) . ?
F86C C128 1.233(6) . ?
F87A C129 1.292(6) . ?
F87B C129 1.279(6) . ?
F87C C129 1.287(6) . ?
F88A C130 1.318(7) . ?
F88B C130 1.321(7) . ?
F88C C130 1.313(7) . ?
F89A C132 1.323(11) . ?
F89A C131 1.425(11) . ?
F89B C131 1.312(12) . ?
F89C C131 1.353(12) . ?
F89C C132 1.525(11) . ?
F89D C132 1.309(12) . ?
F90A C133 1.321(6) . ?
F90B C133 1.336(7) . ?
F90C C133 1.306(7) . ?
C1 C2 1.369(6) . ?
C1 C6 1.370(6) . ?
C1 C10 1.480(7) . ?
C2 C3 1.361(6) . ?
C2 C12 1.482(6) . ?
C3 C4 1.368(6) . ?
C3 C15 1.483(6) . ?
C4 C5 1.370(6) . ?
C4 C17 1.472(6) . ?
C5 C6 1.367(6) . ?
C5 C20 1.480(6) . ?
C6 C7 1.480(6) . ?
C7 C8 1.546(7) . ?
C7 C21 1.608(7) . ?
C8 C24 1.501(8) . ?
C8 C9 1.651(7) . ?
C9 C26 1.511(7) . ?
C9 C10 1.537(7) . ?
C10 C11 1.619(6) . ?
C11 C28 1.570(7) . ?
C11 C12 1.609(7) . ?
C12 C13 1.550(7) . ?
C13 C30 1.508(7) . ?
C13 C14 1.681(8) . ?
C14 C32 1.504(7) . ?
C14 C15 1.567(7) . ?
C15 C16 1.610(8) . ?
C16 C34 1.553(7) . ?
C16 C17 1.619(6) . ?
C17 C18 1.563(7) . ?
C18 C36 1.510(6) . ?
C18 C19 1.687(7) . ?
C19 C38 1.509(6) . ?
C19 C20 1.538(7) . ?
C20 C21 1.621(6) . ?
C21 C22 1.560(7) . ?
C22 C39 1.489(7) . ?
C22 C23 1.512(7) . ?
C23 C24 1.343(7) . ?
C23 C41 1.546(8) . ?
C24 C25 1.515(7) . ?
C25 C43 1.481(8) . ?
C25 C26 1.488(7) . ?
C25 C61 1.569(8) . ?
C26 C27 1.341(7) . ?
C27 C28 1.512(7) . ?
C27 C45 1.548(7) . ?
C28 C29 1.511(7) . ?
C29 C30 1.349(7) . ?
C29 C46 1.427(7) . ?
C30 C31 1.400(7) . ?
C31 C48 1.391(7) . ?
C31 C32 1.429(7) . ?
C32 C33 1.345(7) . ?
C33 C50 1.442(7) . ?
C33 C34 1.532(7) . ?
C34 C35 1.526(7) . ?
C35 C36 1.345(6) . ?
C35 C51 1.452(6) . ?
C36 C37 1.413(6) . ?
C37 C53 1.393(6) . ?
C37 C38 1.405(6) . ?
C38 C39 1.370(6) . ?
C39 C40 1.428(6) . ?
C40 C54 1.371(7) . ?
C40 C41 1.509(7) . ?
C41 C42 1.513(7) . ?
C41 C62 1.561(7) . ?
C42 C43 1.392(7) . ?
C42 C56 1.460(8) . ?
C43 C44 1.400(7) . ?
C44 C57 1.447(8) . ?
C44 C45 1.500(7) . ?
C45 C46 1.501(7) . ?
C45 C63 1.570(7) . ?
C46 C47 1.367(7) . ?
C47 C48 1.415(7) . ?
C47 C58 1.554(7) . ?
C48 C49 1.424(7) . ?
C49 C50 1.389(7) . ?
C49 C59 1.445(7) . ?
C50 C51 1.408(7) . ?
C51 C52 1.390(7) . ?
C52 C53 1.417(7) . ?
C52 C60 1.446(6) . ?
C53 C54 1.400(7) . ?
C54 C55 1.551(7) . ?
C55 C56 1.528(8) . ?
C55 C60 1.537(8) . ?
C55 C64 1.549(8) . ?
C56 C57 1.497(8) . ?
C56 C65 1.743(11) . ?
C57 C58 1.534(9) . ?
C57 C65A 1.814(13) . ?
C58 C59 1.550(7) . ?
C58 C66 1.549(6) . ?
C59 C60 1.353(7) . ?
C65A C65 1.472(17) . ?
C67 C72 1.368(6) . ?
C67 C68 1.373(6) . ?
C67 C76 1.476(6) . ?
C68 C69 1.374(5) . ?
C68 C78 1.479(6) . ?
C69 C70 1.375(6) . ?
C69 C81 1.478(6) . ?
C70 C71 1.368(6) . ?
C70 C83 1.482(6) . ?
C71 C72 1.367(6) . ?
C71 C86 1.481(6) . ?
C72 C73 1.477(6) . ?
C73 C74 1.550(6) . ?
C73 C87 1.609(6) . ?
C74 C90 1.498(6) . ?
C74 C75 1.661(6) . ?
C75 C92 1.507(6) . ?
C75 C76 1.548(6) . ?
C76 C77 1.602(7) . ?
C77 C94 1.545(6) . ?
C77 C78 1.629(6) . ?
C78 C79 1.534(6) . ?
C79 C96 1.512(6) . ?
C79 C80 1.687(6) . ?
C80 C98 1.501(6) . ?
C80 C81 1.552(6) . ?
C81 C82 1.627(6) . ?
C82 C100 1.560(6) . ?
C82 C83 1.626(7) . ?
C83 C84 1.549(7) . ?
C84 C102 1.489(7) . ?
C84 C85 1.678(7) . ?
C85 C104 1.496(6) . ?
C85 C86 1.545(6) . ?
C86 C87 1.622(6) . ?
C87 C88 1.565(6) . ?
C88 C105 1.500(7) . ?
C88 C89 1.526(7) . ?
C89 C90 1.333(6) . ?
C89 C107 1.551(6) . ?
C90 C91 1.504(6) . ?
C91 C109 1.484(6) . ?
C91 C92 1.514(6) . ?
C91 C127 1.557(6) . ?
C92 C93 1.335(7) . ?
C93 C94 1.515(6) . ?
C93 C111 1.539(6) . ?
C94 C95 1.499(6) . ?
C95 C96 1.364(6) . ?
C95 C112 1.429(6) . ?
C96 C97 1.419(6) . ?
C97 C114 1.408(6) . ?
C97 C98 1.424(6) . ?
C98 C99 1.363(6) . ?
C99 C116 1.447(6) . ?
C99 C100 1.529(6) . ?
C100 C101 1.524(7) . ?
C101 C102 1.366(7) . ?
C101 C117 1.434(6) . ?
C102 C103 1.422(6) . ?
C103 C119 1.371(7) . ?
C103 C104 1.416(7) . ?
C104 C105 1.370(6) . ?
C105 C106 1.428(6) . ?
C106 C120 1.363(7) . ?
C106 C107 1.514(6) . ?
C107 C108 1.501(7) . ?
C107 C128 1.554(6) . ?
C108 C109 1.389(6) . ?
C108 C122 1.425(7) . ?
C109 C110 1.396(7) . ?
C110 C123 1.453(6) . ?
C110 C111 1.510(6) . ?
C111 C112 1.524(6) . ?
C111 C129 1.551(6) . ?
C112 C113 1.375(6) . ?
C113 C114 1.415(6) . ?
C113 C124 1.548(6) . ?
C114 C115 1.420(6) . ?
C115 C116 1.377(6) . ?
C115 C125 1.442(6) . ?
C116 C117 1.426(7) . ?
C117 C118 1.390(7) . ?
C118 C119 1.420(7) . ?
C118 C126 1.441(7) . ?
C119 C120 1.428(7) . ?
C120 C121 1.537(7) . ?
C121 C126 1.536(7) . ?
C121 C122 1.540(7) . ?
C121 C130 1.561(6) . ?
C122 C123 1.479(7) . ?
C122 C131 1.821(11) . ?
C123 C124 1.541(7) . ?
C123 C132 1.714(11) . ?
C124 C125 1.545(6) . ?
C124 C133 1.553(7) . ?
C125 C126 1.360(7) . ?
C131 C132 1.552(16) . ?
C134 C135 1.385(7) . ?
C134 C139 1.396(6) . ?
C134 C140 1.511(7) . ?
C135 C136 1.392(6) . ?
C136 C137 1.381(7) . ?
C137 C138 1.375(7) . ?
C138 C139 1.375(7) . ?
C141 C142 1.295(10) . ?
C141 C147 1.386(14) . ?
C141 C148 1.433(16) . ?
C141 C146 1.988(12) . ?
C142 C143 1.294(12) . ?
C143 C144 1.225(15) . ?
C143 C145 2.082(14) . ?
C144 C145 1.255(14) . ?
C145 C146 1.203(10) . ?
C146 C147 1.187(13) . ?
