# Supplementary Material (ESI) for Journal of Materials Chemistry # This journal is © The Royal Society of Chemistry 2002 data_global _journal_coden_Cambridge 1145 _publ_requested_journal 'Journal of Materials Chemistry' loop_ _publ_author_name 'Rovira, Concepcio' 'Canadell, Enrique' 'Khasanov, Salavat S.' 'Klehe, Anne-Katrin' 'Laukhin, Vladimir N.' 'Narymbetov, Bakhyt Zh' 'Perez-Benitez, Aaron' 'Shibaeva, Rimma P.' 'Singleton, John' 'Veciana, J.' 'Vidal-Gancedo, Jose' 'Zorina, Leokadiya' _publ_contact_author_name 'Dr Concepcio Rovira' _publ_contact_author_address ; Institut de Ciencia de Materials de Barcelona (CSIC) Campus Universitari de Bellaterra Cerdanyola 08193 SPAIN ; _publ_contact_author_email 'CUN@ICMAB.ES' _publ_section_title ; Interesting Transport and Magnetic Properties in a New Family of Molecular Materials Based on the Organic Donor BET-TTF and the Perrhenate Anion ; data_(1) _database_code_CSD 174645 _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_formula_moiety ? _chemical_formula_sum 'C20 H16 O8 Re2 S12' _chemical_formula_weight 1141.45 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source 'Re' 'Re' -1.0185 7.2310 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'S' 'S' 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'O' 'O' 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' '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' _symmetry_cell_setting ? _symmetry_space_group_name_H-M 'P-1' loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, -z' _cell_length_a 7.760(8) _cell_length_b 8.890(5) _cell_length_c 12.325(4) _cell_angle_alpha 73.95(4) _cell_angle_beta 113.47(5) _cell_angle_gamma 87.31(6) _cell_volume 737.5(9) _cell_formula_units_Z 1 _cell_measurement_temperature 293(2) _cell_measurement_reflns_used ? _cell_measurement_theta_min ? _cell_measurement_theta_max ? _exptl_crystal_description 'prisms' _exptl_crystal_colour 'black' _exptl_crystal_size_max 0.65 _exptl_crystal_size_mid 0.06 _exptl_crystal_size_min 0.03 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 2.570 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 542 _exptl_absorpt_coefficient_mu 9.096 _exptl_absorpt_correction_type ? _exptl_absorpt_correction_T_min ? _exptl_absorpt_correction_T_max ? _exptl_special_details ; ? ; _diffrn_ambient_temperature 293(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type ? _diffrn_measurement_method ? _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 3600 _diffrn_reflns_av_R_equivalents 0.0198 _diffrn_reflns_av_sigmaI/netI 0.0427 _diffrn_reflns_limit_h_min 0 _diffrn_reflns_limit_h_max 9 _diffrn_reflns_limit_k_min -11 _diffrn_reflns_limit_k_max 11 _diffrn_reflns_limit_l_min -15 _diffrn_reflns_limit_l_max 14 _diffrn_reflns_theta_min 2.42 _diffrn_reflns_theta_max 26.37 _reflns_number_total 2658 _reflns_number_gt 2509 _reflns_threshold_expression >2sigma(I) _computing_data_collection ? _computing_cell_refinement ? _computing_data_reduction ? _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics ? _computing_publication_material ? _refine_special_details ; Refinement of F^2^ against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F^2^, conventional R-factors R are based on F, with F set to zero for negative F^2^. The threshold expression of F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F^2^ are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. ; _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme 'calc w=1/[\s^2^(Fo^2^)+(0.1596P)^2^+9.0275P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment mixed _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 2658 _refine_ls_number_parameters 190 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0691 _refine_ls_R_factor_gt 0.0653 _refine_ls_wR_factor_ref 0.1979 _refine_ls_wR_factor_gt 0.1928 _refine_ls_goodness_of_fit_ref 1.008 _refine_ls_restrained_S_all 1.008 _refine_ls_shift/su_max 0.211 _refine_ls_shift/su_mean 0.017 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_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group Re Re 0.16543(10) 0.16506(7) 0.35272(5) 0.0309(3) Uani 1 d . . . O1 O 0.026(2) 0.0259(16) 0.3761(13) 0.050(3) Uani 1 d . . . O2 O 0.032(2) 0.3074(14) 0.2095(13) 0.055(4) Uani 1 d . . . O3 O 0.365(2) 0.076(2) 0.3503(14) 0.069(5) Uani 1 d . . . O4 O 0.230(3) 0.2546(18) 0.4675(14) 0.068(5) Uani 1 d . . . S1 S 0.2374(5) 0.2285(4) -0.2803(3) 0.0254(7) Uani 1 d . . . S2 S 0.3548(6) 0.3740(4) -0.0797(3) 0.0277(8) Uani 1 d . . . S3 S 0.2002(5) -0.0882(4) -0.0903(3) 0.0242(7) Uani 1 d . . . S4 S 0.3229(5) 0.0589(4) 0.1091(3) 0.0241(7) Uani 1 d . . . C1 C 0.2899(19) 0.2084(16) -0.1253(12) 0.021(3) Uani 1 d . . . C2 C 0.274(2) 0.0738(16) -0.0438(13) 0.024(3) Uani 1 d . . . C3 C 0.283(2) 0.4226(16) -0.3141(13) 0.023(3) Uani 1 d . . . C4 C 0.336(2) 0.4869(17) -0.2245(14) 0.028(3) Uani 1 d . . . C5 C 0.2035(19) -0.1930(15) 0.0518(13) 0.020(3) Uani 1 d . . . C6 C 0.260(2) -0.1263(16) 0.1420(12) 0.024(3) Uani 1 d . . . C9 C 0.291(3) 0.708(2) -0.4092(17) 0.047(5) Uani 1 d . . . H9A H 0.3663 0.7708 -0.4444 0.047 Uiso 1 calc R A 1 H9B H 0.1653 0.7718 -0.4431 0.047 Uiso 1 calc R A 1 C10 C 0.209(2) -0.3905(18) 0.2435(14) 0.032(3) Uani 1 d . . . H10A H 0.1074 -0.4217 0.2674 0.032 Uiso 1 calc R B 1 H10B H 0.3199 -0.4740 0.2945 0.032 Uiso 1 calc R B 1 S5A S 0.2674(8) 0.5376(6) -0.4570(5) 0.0373(12) Uani 0.70 d P . 1 C7A C 0.3927(14) 0.6684(10) -0.2551(8) 0.0358(18) Uani 0.70 d P . 1 H7A1 H 0.3335 0.7398 -0.2278 0.036 Uiso 0.70 calc PR . 1 H7A2 H 0.5294 0.6661 -0.2217 0.036 Uiso 0.70 calc PR . 1 S5B S 0.3927(14) 0.6684(10) -0.2551(8) 0.0358(18) Uani 0.30 d P . 2 C7B C 0.2674(8) 0.5376(6) -0.4570(5) 0.0373(12) Uani 0.30 d P . 2 H7B1 H 0.1454 0.5466 -0.5261 0.037 Uiso 0.30 calc PR . 2 H7B2 H 0.3717 0.5047 -0.4746 0.037 Uiso 0.30 calc PR . 2 S6A S 0.1352(7) -0.3764(5) 0.0837(4) 0.0297(9) Uani 0.77 d P . 1 C8A C 0.2612(14) -0.2250(10) 0.2749(8) 0.0302(19) Uani 0.77 d P . 1 H8A1 H 0.1645 -0.1740 0.2909 0.030 Uiso 0.77 calc PR . 1 H8A2 H 0.3853 -0.2423 0.3444 0.030 Uiso 0.77 calc PR . 1 C8B C 0.1352(7) -0.3764(5) 0.0837(4) 0.0297(9) Uani 0.23 d P . 2 H8B1 H 0.2077 -0.4577 0.0722 0.030 Uiso 0.23 calc PR . 2 H8B2 H -0.0008 -0.3724 0.0392 0.030 Uiso 0.23 calc PR . 2 S6B S 0.2612(14) -0.2250(10) 0.2749(8) 0.0302(19) Uani 0.23 d P . 2 loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 Re 0.0480(4) 0.0230(4) 0.0220(4) -0.0068(2) 0.0151(3) -0.0118(3) O1 0.063(8) 0.040(7) 0.043(7) -0.002(6) 0.027(7) -0.020(6) O2 0.081(10) 0.021(6) 0.039(7) 0.010(5) 0.016(7) -0.005(6) O3 0.052(8) 0.111(14) 0.034(7) -0.003(8) 0.023(7) 0.003(8) O4 0.134(15) 0.045(8) 0.041(8) -0.033(7) 0.038(9) -0.033(9) S1 0.0334(18) 0.0257(17) 0.0172(16) -0.0051(13) 0.0117(14) -0.0109(14) S2 0.043(2) 0.0220(17) 0.0209(16) -0.0061(13) 0.0162(15) -0.0083(14) S3 0.0336(18) 0.0239(17) 0.0185(15) -0.0080(13) 0.0130(14) -0.0109(14) S4 0.0344(18) 0.0212(16) 0.0204(16) -0.0054(13) 0.0157(14) -0.0098(13) C1 0.026(7) 0.017(6) 0.016(6) -0.005(5) 0.005(5) -0.008(5) C2 0.024(7) 0.020(6) 0.022(7) -0.007(5) 0.005(5) -0.006(5) C3 0.028(7) 0.016(6) 0.024(7) 0.000(5) 0.012(6) -0.003(5) C4 0.034(8) 0.022(7) 0.025(7) 0.000(6) 0.015(6) 0.001(6) C5 0.024(7) 0.014(6) 0.021(6) -0.003(5) 0.010(5) -0.004(5) C6 0.038(8) 0.017(6) 0.017(6) -0.005(5) 0.013(6) -0.004(5) C9 0.046(10) 0.037(10) 0.034(9) 0.019(8) 0.012(8) -0.006(8) C10 0.040(8) 0.027(8) 0.024(7) 0.003(6) 0.014(7) -0.009(6) S5A 0.050(3) 0.031(3) 0.028(3) -0.002(2) 0.018(2) -0.011(2) C7A 0.050(5) 0.027(4) 0.026(4) -0.003(3) 0.016(4) -0.004(4) S5B 0.050(5) 0.027(4) 0.026(4) -0.003(3) 0.016(4) -0.004(4) C7B 0.050(3) 0.031(3) 0.028(3) -0.002(2) 0.018(2) -0.011(2) S6A 0.036(2) 0.025(2) 0.027(2) -0.0048(17) 0.0138(18) -0.0082(17) C8A 0.044(5) 0.019(4) 0.026(4) 0.000(3) 0.018(4) -0.007(4) C8B 0.036(2) 0.025(2) 0.027(2) -0.0048(17) 0.0138(18) -0.0082(17) S6B 0.044(5) 0.019(4) 0.026(4) 0.000(3) 0.018(4) -0.007(4) _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; 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 Re O1 1.721(13) . ? Re O4 1.727(12) . ? Re O2 1.725(12) . ? Re O3 1.723(16) . ? Re S3 3.615(4) 2 ? Re C10 3.883(15) 1_565 ? O1 O2 2.782(17) . ? O1 O3 2.82(2) . ? O1 O4 2.84(2) . ? O1 S3 3.114(14) 2 ? O1 O1 3.15(3) 2_556 ? O1 C9 3.19(2) 1_546 ? O1 S1 3.267(14) 2 ? O1 C9 3.55(3) 2_565 ? O1 C8A 3.581(18) . ? O1 S5B 3.638(18) 2_565 ? O1 C7A 3.638(18) 2_565 ? O1 O4 3.84(2) 2_556 ? O2 O4 2.81(2) . ? O2 O3 2.81(2) . ? O2 S3 3.003(15) 2 ? O2 C8B 3.119(13) 1_565 ? O2 S6A 3.119(13) 1_565 ? O2 C10 3.13(2) 1_565 ? O2 C8B 3.175(15) 2 ? O2 S6A 3.175(15) 2 ? O2 C4 3.42(2) 2_565 ? O2 C5 3.47(2) 2 ? O2 S2 3.532(15) 2_565 ? O2 C7A 3.567(19) 2_565 ? O2 S5B 3.567(19) 2_565 ? O2 S4 3.842(17) . ? O3 O4 2.84(2) . ? O3 S4 2.906(16) . ? O3 C8A 3.11(2) . ? O3 O3 3.26(3) 2_656 ? O3 S5B 3.28(2) 2_665 ? O3 C7A 3.28(2) 2_665 ? O3 C9 3.32(3) 2_665 ? O3 C6 3.39(2) . ? O3 O4 3.66(3) 2_656 ? O4 C7B 2.903(14) 1_556 ? O4 S5A 2.903(14) 1_556 ? O4 S1 3.029(15) 1_556 ? O4 C3 3.323(19) 1_556 ? O4 C10 3.52(2) 1_565 ? O4 O3 3.66(3) 2_656 ? O4 C9 3.79(3) 2_565 ? O4 O1 3.84(2) 2_556 ? S1 C1 1.741(14) . ? S1 C3 1.747(14) . ? S1 C4 2.637(16) . ? S1 C2 2.747(15) . ? S1 S2 2.950(5) . ? S1 O4 3.029(15) 1_554 ? S1 S5A 3.083(6) . ? S1 S3 3.234(5) . ? S1 O1 3.267(14) 2 ? S1 C6 3.528(16) 2_655 ? S1 S4 3.618(7) 2_655 ? S1 S6B 3.864(11) 2_655 ? S1 C8A 3.864(11) 2_655 ? S1 C8A 3.897(11) 2 ? S1 S6B 3.897(11) 2 ? S2 C4 1.734(15) . ? S2 C1 1.743(13) . ? S2 C3 2.617(15) . ? S2 C2 2.726(14) . ? S2 C7A 3.010(9) . ? S2 S4 3.199(5) . ? S2 O2 3.532(15) 2_565 ? S2 C5 3.563(14) 2_655 ? S2 S3 3.638(7) 2_655 ? S2 S2 3.652(8) 2_665 ? S2 S5B 3.693(10) 2_665 ? S2 C7A 3.693(10) 2_665 ? S2 C8B 3.782(7) 2 ? S2 S6A 3.782(7) 2 ? S3 C5 1.732(14) . ? S3 C2 1.733(14) . ? S3 C6 2.631(14) . ? S3 C1 2.722(13) . ? S3 S4 2.948(5) . ? S3 O2 3.003(15) 2 ? S3 S6A 3.060(6) . ? S3 O1 3.114(14) 2 ? S3 Re 3.615(4) 2 ? S3 S2 3.638(7) 2_655 ? S3 C1 3.676(14) 2_655 ? S3 C6 3.699(16) 2 ? S3 C2 3.766(15) 2_655 ? S3 S4 3.815(6) 2_655 ? S3 S6B 3.850(11) 2 ? S3 C8A 3.850(11) 2 ? S4 C6 1.725(14) . ? S4 C2 1.733(14) . ? S4 C5 2.631(14) . ? S4 C1 2.726(14) . ? S4 C8A 2.970(9) . ? S4 S1 3.618(7) 2_655 ? S4 C1 3.648(15) 2_655 ? S4 S5B 3.706(10) 2_665 ? S4 C7A 3.706(10) 2_665 ? S4 C5 3.718(14) 2 ? S4 C2 3.741(15) 2_655 ? S4 S3 3.815(6) 2_655 ? S4 C8B 3.856(7) 2 ? S4 S6A 3.856(7) 2 ? C1 C2 1.379(19) . ? C1 C3 2.546(19) . ? C1 C4 2.55(2) . ? C1 C2 3.574(19) 2_655 ? C1 C6 3.63(2) 2_655 ? C1 S4 3.647(15) 2_655 ? C1 C10 3.65(2) 2 ? C1 C5 3.652(19) 2_655 ? C1 S3 3.676(14) 2_655 ? C1 C8B 3.832(15) 2 ? C1 S6A 3.832(15) 2 ? C1 C6 3.874(19) . ? C1 C5 3.878(19) . ? C2 C6 2.53(2) . ? C2 C5 2.531(19) . ? C2 C2 3.31(3) 2_655 ? C2 C1 3.574(19) 2_655 ? C2 S4 3.741(15) 2_655 ? C2 S3 3.766(15) 2_655 ? C2 C5 3.76(2) 2 ? C2 C6 3.79(2) 2 ? C2 C8B 3.847(15) 2 ? C2 S6A 3.847(15) 2 ? C2 C3 3.90(2) . ? C2 C4 3.90(2) . ? C2 S6B 3.887(17) 2 ? C2 C8A 3.887(17) 2 ? C3 C4 1.31(2) . ? C3 S5A 1.728(14) . ? C3 C9 2.50(2) . ? C3 C7A 2.567(17) . ? C3 O4 3.323(19) 1_554 ? C3 S6B 3.664(17) 2_655 ? C3 C8A 3.664(17) 2_655 ? C3 C10 3.66(2) 2_655 ? C3 C6 3.75(2) 2_655 ? C4 C7A 1.673(17) . ? C4 C9 2.45(2) . ? C4 S5A 2.597(16) . ? C4 O2 3.42(2) 2_565 ? C4 C8B 3.716(16) 2_655 ? C4 S6A 3.716(16) 2_655 ? C4 C10 3.71(2) 2_655 ? C4 C5 3.76(2) 2_655 ? C5 C6 1.334(19) . ? C5 S6A 1.728(13) . ? C5 C10 2.508(19) . ? C5 C8A 2.533(16) . ? C5 O2 3.47(2) 2 ? C5 S2 3.563(14) 2_655 ? C5 C1 3.652(19) 2_655 ? C5 S4 3.718(14) 2 ? C5 C4 3.76(2) 2_655 ? C5 C2 3.76(2) 2 ? C5 C6 3.89(2) 2 ? C6 C8A 1.627(15) . ? C6 C10 2.47(2) . ? C6 S6A 2.633(15) . ? C6 S1 3.528(16) 2_655 ? C6 C1 3.63(2) 2_655 ? C6 S3 3.699(16) 2 ? C6 C3 3.75(2) 2_655 ? C6 C2 3.79(2) 2 ? C6 C5 3.89(2) 2 ? C9 C7A 1.66(2) . ? C9 S5A 1.76(2) . ? C9 O1 3.19(2) 1_564 ? C9 O3 3.32(3) 2_665 ? C9 O1 3.55(3) 2_565 ? C9 S6B 3.68(2) 1_564 ? C9 C8A 3.68(2) 1_564 ? C9 O4 3.79(3) 2_565 ? C9 H9A 0.9700 . ? C9 H9B 0.9700 . ? C10 C8A 1.651(18) . ? C10 S6A 1.785(16) . ? C10 O2 3.13(2) 1_545 ? C10 C7B 3.401(16) 1_546 ? C10 S5A 3.401(16) 1_546 ? C10 O4 3.52(2) 1_545 ? C10 C1 3.65(2) 2 ? C10 C3 3.66(2) 2_655 ? C10 C4 3.71(2) 2_655 ? C10 C7B 3.774(18) 2_655 ? C10 S5A 3.774(18) 2_655 ? C10 C7A 3.80(2) 2_655 ? C10 S5B 3.80(2) 2_655 ? C10 Re 3.883(15) 1_545 ? C10 H10A 0.9700 . ? C10 H10B 0.9700 . ? S5A C7A 2.876(11) . ? S5A O4 2.903(14) 1_554 ? S5A C8A 3.374(10) 1_564 ? S5A C10 3.401(16) 1_564 ? S5A C10 3.774(18) 2_655 ? S5A C8A 3.899(12) 2_655 ? C7A O3 3.28(2) 2_665 ? C7A O2 3.567(19) 2_565 ? C7A O1 3.638(18) 2_565 ? C7A S2 3.693(10) 2_665 ? C7A S4 3.706(10) 2_665 ? C7A C10 3.80(2) 2_655 ? C7A S6A 3.812(11) 2_655 ? C7A H7A1 0.9700 . ? C7A H7A2 0.9700 . ? S6A C8A 2.892(11) . ? S6A O2 3.119(13) 1_545 ? S6A O2 3.175(15) 2 ? S6A S6A 3.603(10) 2_545 ? S6A C4 3.716(16) 2_655 ? S6A S2 3.782(7) 2 ? S6A C7A 3.812(11) 2_655 ? S6A C1 3.832(15) 2 ? S6A C2 3.847(15) 2 ? S6A S4 3.856(7) 2 ? C8A S5A 3.374(10) 1_546 ? C8A C3 3.664(17) 2_655 ? C8A C9 3.68(2) 1_546 ? C8A S3 3.850(11) 2 ? C8A S1 3.864(11) 2_655 ? C8A S1 3.897(11) 2 ? C8A C2 3.887(17) 2 ? C8A S5A 3.899(12) 2_655 ? C8A H8A1 0.9700 . ? C8A H8A2 0.9700 . ? 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 O1 Re O4 110.8(8) . . ? O1 Re O2 107.7(7) . . ? O4 Re O2 109.1(8) . . ? O1 Re O3 109.8(8) . . ? O4 Re O3 110.6(9) . . ? O2 Re O3 108.9(7) . . ? O1 Re S3 59.4(5) . 2 ? O4 Re S3 149.7(7) . 2 ? O2 Re S3 55.7(5) . 2 ? O3 Re S3 99.6(6) . 2 ? O1 Re C10 148.6(6) . 1_565 ? O4 Re C10 64.9(6) . 1_565 ? O2 Re C10 51.8(5) . 1_565 ? O3 Re C10 100.2(7) . 1_565 ? S3 Re C10 107.4(2) 2 1_565 ? Re O1 O2 36.2(4) . . ? Re O1 O3 35.1(5) . . ? O2 O1 O3 60.1(6) . . ? Re O1 O4 34.7(4) . . ? O2 O1 O4 60.0(5) . . ? O3 O1 O4 60.2(6) . . ? Re O1 S3 92.2(5) . 2 ? O2 O1 S3 60.9(4) . 2 ? O3 O1 S3 91.5(5) . 2 ? O4 O1 S3 120.9(5) . 2 ? Re O1 O1 114.1(8) . 2_556 ? O2 O1 O1 128.9(8) . 2_556 ? O3 O1 O1 125.4(8) . 2_556 ? O4 O1 O1 79.5(6) . 2_556 ? S3 O1 O1 142.6(8) 2 2_556 ? Re O1 C9 109.5(7) . 1_546 ? O2 O1 C9 143.1(7) . 1_546 ? O3 O1 C9 83.2(6) . 1_546 ? O4 O1 C9 99.6(7) . 1_546 ? S3 O1 C9 129.4(6) 2 1_546 ? O1 O1 C9 68.1(6) 2_556 1_546 ? Re O1 S1 149.6(7) . 2 ? O2 O1 S1 121.6(6) . 2 ? O3 O1 S1 125.2(7) . 2 ? O4 O1 S1 174.6(7) . 2 ? S3 O1 S1 60.8(3) 2 2 ? O1 O1 S1 96.3(5) 2_556 2 ? C9 O1 S1 81.7(5) 1_546 2 ? Re O1 C9 93.6(6) . 2_565 ? O2 O1 C9 80.7(5) . 2_565 ? O3 O1 C9 128.3(7) . 2_565 ? O4 O1 C9 71.8(6) . 2_565 ? S3 O1 C9 97.7(5) 2 2_565 ? O1 O1 C9 56.6(5) 2_556 2_565 ? C9 O1 C9 124.6(5) 1_546 2_565 ? S1 O1 C9 103.1(5) 2 2_565 ? Re O1 C8A 89.4(6) . . ? O2 O1 C8A 94.6(5) . . ? O3 O1 C8A 56.6(5) . . ? O4 O1 C8A 116.1(6) . . ? S3 O1 C8A 69.8(3) 2 . ? O1 O1 C8A 132.8(7) 2_556 . ? C9 O1 C8A 65.5(5) 1_546 . ? S1 O1 C8A 69.2(3) 2 . ? C9 O1 C8A 167.2(6) 2_565 . ? Re O1 S5B 92.1(5) . 2_565 ? O2 O1 S5B 65.9(5) . 2_565 ? O3 O1 S5B 124.9(6) . 2_565 ? O4 O1 S5B 84.4(6) . 2_565 ? S3 O1 S5B 71.1(3) 2 2_565 ? O1 O1 S5B 81.4(6) 2_556 2_565 ? C9 O1 S5B 147.6(6) 1_546 2_565 ? S1 O1 S5B 91.7(4) 2 2_565 ? C9 O1 S5B 26.7(3) 2_565 2_565 ? C8A O1 S5B 140.8(5) . 2_565 ? Re O1 C7A 92.1(5) . 2_565 ? O2 O1 C7A 65.9(5) . 2_565 ? O3 O1 C7A 124.9(6) . 2_565 ? O4 O1 C7A 84.4(6) . 2_565 ? S3 O1 C7A 71.1(3) 2 2_565 ? O1 O1 C7A 81.4(6) 2_556 2_565 ? C9 O1 C7A 147.6(6) 1_546 2_565 ? S1 O1 C7A 91.7(4) 2 2_565 ? C9 O1 C7A 26.7(3) 2_565 2_565 ? C8A O1 C7A 140.8(5) . 2_565 ? S5B O1 C7A 0.0(5) 2_565 2_565 ? Re O1 O4 160.6(7) . 2_556 ? O2 O1 O4 152.3(7) . 2_556 ? O3 O1 O4 147.5(7) . 2_556 ? O4 O1 O4 126.2(5) . 2_556 ? S3 O1 O4 105.8(4) 2 2_556 ? O1 O1 O4 46.7(4) 2_556 2_556 ? C9 O1 O4 64.5(5) 1_546 2_556 ? S1 O1 O4 49.7(3) 2 2_556 ? C9 O1 O4 77.2(5) 2_565 2_556 ? C8A O1 O4 103.4(4) . 2_556 ? S5B O1 O4 87.1(5) 2_565 2_556 ? C7A O1 O4 87.1(5) 2_565 2_556 ? Re O2 O1 36.1(4) . . ? Re O2 O4 35.5(4) . . ? O1 O2 O4 61.0(5) . . ? Re O2 O3 35.5(4) . . ? O1 O2 O3 60.6(5) . . ? O4 O2 O3 60.6(6) . . ? Re O2 S3 96.0(5) . 2 ? O1 O2 S3 65.0(4) . 2 ? O4 O2 S3 126.0(5) . 2 ? O3 O2 S3 94.1(6) . 2 ? Re O2 C8B 129.1(7) . 1_565 ? O1 O2 C8B 164.9(6) . 1_565 ? O4 O2 C8B 104.8(6) . 1_565 ? O3 O2 C8B 109.2(6) . 1_565 ? S3 O2 C8B 129.1(5) 2 1_565 ? Re O2 S6A 129.1(7) . 1_565 ? O1 O2 S6A 164.9(6) . 1_565 ? O4 O2 S6A 104.8(6) . 1_565 ? O3 O2 S6A 109.2(6) . 1_565 ? S3 O2 S6A 129.1(5) 2 1_565 ? C8B O2 S6A 0.0(3) 1_565 1_565 ? Re O2 C10 102.5(7) . 1_565 ? O1 O2 C10 133.4(6) . 1_565 ? O4 O2 C10 72.5(5) . 1_565 ? O3 O2 C10 99.1(7) . 1_565 ? S3 O2 C10 161.3(5) 2 1_565 ? C8B O2 C10 33.2(3) 1_565 1_565 ? S6A O2 C10 33.2(3) 1_565 1_565 ? Re O2 C8B 143.9(7) . 2 ? O1 O2 C8B 123.7(6) . 2 ? O4 O2 C8B 172.0(7) . 2 ? O3 O2 C8B 114.7(6) . 2 ? S3 O2 C8B 59.3(3) 2 2 ? C8B O2 C8B 69.8(3) 1_565 2 ? S6A O2 C8B 69.8(3) 1_565 2 ? C10 O2 C8B 102.8(5) 1_565 2 ? Re O2 S6A 143.9(7) . 2 ? O1 O2 S6A 123.7(6) . 2 ? O4 O2 S6A 172.0(7) . 2 ? O3 O2 S6A 114.7(6) . 2 ? S3 O2 S6A 59.3(3) 2 2 ? C8B O2 S6A 69.8(3) 1_565 2 ? S6A O2 S6A 69.8(3) 1_565 2 ? C10 O2 S6A 102.8(5) 1_565 2 ? C8B O2 S6A 0.0(3) 2 2 ? Re O2 C4 109.0(7) . 2_565 ? O1 O2 C4 92.8(6) . 2_565 ? O4 O2 C4 86.2(6) . 2_565 ? O3 O2 C4 144.2(6) . 2_565 ? S3 O2 C4 95.3(5) 2 2_565 ? C8B O2 C4 91.1(4) 1_565 2_565 ? S6A O2 C4 91.1(4) 1_565 2_565 ? C10 O2 C4 81.6(5) 1_565 2_565 ? C8B O2 C4 99.7(5) 2 2_565 ? S6A O2 C4 99.7(5) 2 2_565 ? Re O2 C5 119.9(6) . 2 ? O1 O2 C5 94.0(5) . 2 ? O4 O2 C5 154.3(6) . 2 ? O3 O2 C5 103.4(6) . 2 ? S3 O2 C5 29.9(3) 2 2 ? C8B O2 C5 99.5(4) 1_565 2 ? S6A O2 C5 99.5(4) 1_565 2 ? C10 O2 C5 132.5(5) 1_565 2 ? C8B O2 C5 29.7(3) 2 2 ? S6A O2 C5 29.7(3) 2 2 ? C4 O2 C5 101.9(5) 2_565 2 ? Re O2 S2 137.4(8) . 2_565 ? O1 O2 S2 118.8(6) . 2_565 ? O4 O2 S2 109.2(6) . 2_565 ? O3 O2 S2 169.3(7) . 2_565 ? S3 O2 S2 94.9(4) 2 2_565 ? C8B O2 S2 69.0(3) 1_565 2_565 ? S6A O2 S2 69.0(3) 1_565 2_565 ? C10 O2 S2 73.5(4) 1_565 2_565 ? C8B O2 S2 74.9(3) 2 2_565 ? S6A O2 S2 74.9(3) 2 2_565 ? C4 O2 S2 28.8(3) 2_565 2_565 ? C5 O2 S2 87.3(4) 2 2_565 ? Re O2 C7A 94.5(6) . 2_565 ? O1 O2 C7A 68.7(5) . 2_565 ? O4 O2 C7A 86.1(6) . 2_565 ? O3 O2 C7A 128.0(5) . 2_565 ? S3 O2 C7A 73.3(4) 2 2_565 ? C8B O2 C7A 117.9(4) 1_565 2_565 ? S6A O2 C7A 117.9(4) 1_565 2_565 ? C10 O2 C7A 107.8(5) 1_565 2_565 ? C8B O2 C7A 101.7(4) 2 2_565 ? S6A O2 C7A 101.7(4) 2 2_565 ? C4 O2 C7A 27.6(3) 2_565 2_565 ? C5 O2 C7A 90.1(5) 2 2_565 ? S2 O2 C7A 50.2(3) 2_565 2_565 ? Re O2 S5B 94.5(6) . 2_565 ? O1 O2 S5B 68.7(5) . 2_565 ? O4 O2 S5B 86.1(6) . 2_565 ? O3 O2 S5B 128.0(5) . 2_565 ? S3 O2 S5B 73.3(4) 2 2_565 ? C8B O2 S5B 117.9(4) 1_565 2_565 ? S6A O2 S5B 117.9(4) 1_565 2_565 ? C10 O2 S5B 107.8(5) 1_565 2_565 ? C8B O2 S5B 101.7(4) 2 2_565 ? S6A O2 S5B 101.7(4) 2 2_565 ? C4 O2 S5B 27.6(3) 2_565 2_565 ? C5 O2 S5B 90.1(5) 2 2_565 ? S2 O2 S5B 50.2(3) 2_565 2_565 ? C7A O2 S5B 0.0(4) 2_565 2_565 ? Re O2 S4 81.5(5) . . ? O1 O2 S4 88.1(5) . . ? O4 O2 S4 109.1(6) . . ? O3 O2 S4 48.9(4) . . ? S3 O2 S4 69.6(3) 2 . ? C8B O2 S4 92.4(4) 1_565 . ? S6A O2 S4 92.4(4) 1_565 . ? C10 O2 S4 110.0(5) 1_565 . ? C8B O2 S4 65.9(3) 2 . ? S6A O2 S4 65.9(3) 2 . ? C4 O2 S4 162.8(5) 2_565 . ? C5 O2 S4 60.9(3) 2 . ? S2 O2 S4 140.5(4) 2_565 . ? C7A O2 S4 141.9(4) 2_565 . ? S5B O2 S4 141.9(4) 2_565 . ? Re O3 O1 35.1(5) . . ? Re O3 O2 35.5(4) . . ? O1 O3 O2 59.3(5) . . ? Re O3 O4 34.8(5) . . ? O1 O3 O4 60.3(6) . . ? O2 O3 O4 59.8(6) . . ? Re O3 S4 115.9(7) . . ? O1 O3 S4 109.3(7) . . ? O2 O3 S4 84.5(5) . . ? O4 O3 S4 143.6(7) . . ? Re O3 C8A 106.4(8) . . ? O1 O3 C8A 74.2(6) . . ? O2 O3 C8A 105.4(6) . . ? O4 O3 C8A 133.5(7) . . ? S4 O3 C8A 59.1(4) . . ? Re O3 O3 100.0(8) . 2_656 ? O1 O3 O3 93.5(7) . 2_656 ? O2 O3 O3 132.9(9) . 2_656 ? O4 O3 O3 73.5(7) . 2_656 ? S4 O3 O3 142.6(9) . 2_656 ? C8A O3 O3 102.1(9) . 2_656 ? Re O3 S5B 113.3(9) . 2_665 ? O1 O3 S5B 147.4(7) . 2_665 ? O2 O3 S5B 89.4(6) . 2_665 ? O4 O3 S5B 97.6(7) . 2_665 ? S4 O3 S5B 73.4(4) . 2_665 ? C8A O3 S5B 127.7(5) . 2_665 ? O3 O3 S5B 103.0(8) 2_656 2_665 ? Re O3 C7A 113.3(9) . 2_665 ? O1 O3 C7A 147.4(7) . 2_665 ? O2 O3 C7A 89.4(6) . 2_665 ? O4 O3 C7A 97.6(7) . 2_665 ? S4 O3 C7A 73.4(4) . 2_665 ? C8A O3 C7A 127.7(5) . 2_665 ? O3 O3 C7A 103.0(8) 2_656 2_665 ? S5B O3 C7A 0.0(5) 2_665 2_665 ? Re O3 C9 111.0(10) . 2_665 ? O1 O3 C9 142.7(8) . 2_665 ? O2 O3 C9 103.0(7) . 2_665 ? O4 O3 C9 82.4(7) . 2_665 ? S4 O3 C9 100.4(6) . 2_665 ? C8A O3 C9 142.5(7) . 2_665 ? O3 O3 C9 74.8(7) 2_656 2_665 ? S5B O3 C9 29.2(4) 2_665 2_665 ? C7A O3 C9 29.2(4) 2_665 2_665 ? Re O3 C6 113.0(8) . . ? O1 O3 C6 90.3(7) . . ? O2 O3 C6 94.8(6) . . ? O4 O3 C6 147.6(7) . . ? S4 O3 C6 30.6(3) . . ? C8A O3 C6 28.6(3) . . ? O3 O3 C6 125.3(10) 2_656 . ? S5B O3 C6 102.2(5) 2_665 . ? C7A O3 C6 102.2(5) 2_665 . ? C9 O3 C6 125.6(6) 2_665 . ? Re O3 O4 142.2(7) . 2_656 ? O1 O3 O4 116.0(7) . 2_656 ? O2 O3 O4 174.5(8) . 2_656 ? O4 O3 O4 121.4(6) . 2_656 ? S4 O3 O4 94.9(5) . 2_656 ? C8A O3 O4 69.8(5) . 2_656 ? O3 O3 O4 47.9(5) 2_656 2_656 ? S5B O3 O4 95.6(5) 2_665 2_656 ? C7A O3 O4 95.6(5) 2_665 2_656 ? C9 O3 O4 82.5(5) 2_665 2_656 ? C6 O3 O4 82.0(5) . 2_656 ? Re O4 O2 35.4(4) . . ? Re O4 O1 34.6(4) . . ? O2 O4 O1 59.0(5) . . ? Re O4 O3 34.7(5) . . ? O2 O4 O3 59.6(5) . . ? O1 O4 O3 59.6(5) . . ? Re O4 C7B 150.8(8) . 1_556 ? O2 O4 C7B 115.8(6) . 1_556 ? O1 O4 C7B 154.5(9) . 1_556 ? O3 O4 C7B 142.8(8) . 1_556 ? Re O4 S5A 150.8(8) . 1_556 ? O2 O4 S5A 115.8(6) . 1_556 ? O1 O4 S5A 154.5(9) . 1_556 ? O3 O4 S5A 142.8(8) . 1_556 ? C7B O4 S5A 0.0(4) 1_556 1_556 ? Re O4 S1 143.1(8) . 1_556 ? O2 O4 S1 151.6(9) . 1_556 ? O1 O4 S1 109.1(6) . 1_556 ? O3 O4 S1 140.4(7) . 1_556 ? C7B O4 S1 62.6(3) 1_556 1_556 ? S5A O4 S1 62.6(3) 1_556 1_556 ? Re O4 C3 170.8(11) . 1_556 ? O2 O4 C3 142.3(7) . 1_556 ? O1 O4 C3 137.7(7) . 1_556 ? O3 O4 C3 153.7(8) . 1_556 ? C7B O4 C3 31.3(3) 1_556 1_556 ? S5A O4 C3 31.3(3) 1_556 1_556 ? S1 O4 C3 31.5(3) 1_556 1_556 ? Re O4 C10 88.7(6) . 1_565 ? O2 O4 C10 57.9(5) . 1_565 ? O1 O4 C10 116.9(6) . 1_565 ? O3 O4 C10 90.0(6) . 1_565 ? C7B O4 C10 63.1(4) 1_556 1_565 ? S5A O4 C10 63.1(4) 1_556 1_565 ? S1 O4 C10 125.3(5) 1_556 1_565 ? C3 O4 C10 94.4(5) 1_556 1_565 ? Re O4 O3 86.2(7) . 2_656 ? O2 O4 O3 117.9(6) . 2_656 ? O1 O4 O3 85.1(6) . 2_656 ? O3 O4 O3 58.6(6) . 2_656 ? C7B O4 O3 116.1(6) 1_556 2_656 ? S5A O4 O3 116.1(6) 1_556 2_656 ? S1 O4 O3 83.8(5) 1_556 2_656 ? C3 O4 O3 98.9(5) 1_556 2_656 ? C10 O4 O3 126.6(7) 1_565 2_656 ? Re O4 C9 85.5(8) . 2_565 ? O2 O4 C9 76.1(6) . 2_565 ? O1 O4 C9 62.9(6) . 2_565 ? O3 O4 C9 119.4(7) . 2_565 ? C7B O4 C9 91.7(6) 1_556 2_565 ? S5A O4 C9 91.7(6) 1_556 2_565 ? S1 O4 C9 75.7(5) 1_556 2_565 ? C3 O4 C9 85.4(6) 1_556 2_565 ? C10 O4 C9 99.8(6) 1_565 2_565 ? O3 O4 C9 132.5(6) 2_656 2_565 ? Re O4 O1 88.3(6) . 2_556 ? O2 O4 O1 106.3(6) . 2_556 ? O1 O4 O1 53.8(5) . 2_556 ? O3 O4 O1 104.3(6) . 2_556 ? C7B O4 O1 111.7(5) 1_556 2_556 ? S5A O4 O1 111.7(5) 1_556 2_556 ? S1 O4 O1 55.3(4) 1_556 2_556 ? C3 O4 O1 84.6(5) 1_556 2_556 ? C10 O4 O1 149.4(7) 1_565 2_556 ? O3 O4 O1 83.6(5) 2_656 2_556 ? C9 O4 O1 49.5(4) 2_565 2_556 ? C1 S1 C3 93.7(7) . . ? C1 S1 C4 67.8(5) . . ? C3 S1 C4 26.0(6) . . ? C1 S1 C2 24.9(5) . . ? C3 S1 C2 118.6(6) . . ? C4 S1 C2 92.7(4) . . ? C1 S1 S2 32.2(4) . . ? C3 S1 S2 61.6(5) . . ? C4 S1 S2 35.6(3) . . ? C2 S1 S2 57.1(3) . . ? C1 S1 O4 168.8(6) . 1_554 ? C3 S1 O4 83.6(6) . 1_554 ? C4 S1 O4 109.1(4) . 1_554 ? C2 S1 O4 155.9(4) . 1_554 ? S2 S1 O4 143.7(3) . 1_554 ? C1 S1 S5A 121.1(5) . . ? C3 S1 S5A 27.3(5) . . ? C4 S1 S5A 53.3(3) . . ? C2 S1 S5A 146.0(3) . . ? S2 S1 S5A 88.91(16) . . ? O4 S1 S5A 56.7(3) 1_554 . ? C1 S1 S3 57.3(4) . . ? C3 S1 S3 151.0(5) . . ? C4 S1 S3 125.0(3) . . ? C2 S1 S3 32.4(3) . . ? S2 S1 S3 89.45(13) . . ? O4 S1 S3 125.2(3) 1_554 . ? S5A S1 S3 177.95(18) . . ? C1 S1 O1 111.7(5) . 2 ? C3 S1 O1 147.4(5) . 2 ? C4 S1 O1 160.7(4) . 2 ? C2 S1 O1 88.0(4) . 2 ? S2 S1 O1 140.7(3) . 2 ? O4 S1 O1 75.0(4) 1_554 2 ? S5A S1 O1 123.8(3) . 2 ? S3 S1 O1 57.2(2) . 2 ? C1 S1 C6 79.2(5) . 2_655 ? C3 S1 C6 83.2(5) . 2_655 ? C4 S1 C6 79.0(4) . 2_655 ? C2 S1 C6 84.3(4) . 2_655 ? S2 S1 C6 77.1(3) . 2_655 ? O4 S1 C6 89.7(5) 1_554 2_655 ? S5A S1 C6 88.6(3) . 2_655 ? S3 S1 C6 92.2(3) . 2_655 ? O1 S1 C6 120.2(4) 2 2_655 ? C1 S1 S4 77.1(5) . 2_655 ? C3 S1 S4 111.1(5) . 2_655 ? C4 S1 S4 103.7(4) . 2_655 ? C2 S1 S4 70.5(3) . 2_655 ? S2 S1 S4 90.00(14) . 2_655 ? O4 S1 S4 93.7(4) 1_554 2_655 ? S5A S1 S4 113.82(17) . 2_655 ? S3 S1 S4 67.39(13) . 2_655 ? O1 S1 S4 94.7(3) 2 2_655 ? C6 S1 S4 27.9(2) 2_655 2_655 ? C1 S1 S6B 101.2(5) . 2_655 ? C3 S1 S6B 70.3(5) . 2_655 ? C4 S1 S6B 76.8(4) . 2_655 ? C2 S1 S6B 109.1(3) . 2_655 ? S2 S1 S6B 89.76(19) . 2_655 ? O4 S1 S6B 67.7(4) 1_554 2_655 ? S5A S1 S6B 67.20(19) . 2_655 ? S3 S1 S6B 114.02(18) . 2_655 ? O1 S1 S6B 121.1(3) 2 2_655 ? C6 S1 S6B 24.9(2) 2_655 2_655 ? S4 S1 S6B 46.63(15) 2_655 2_655 ? C1 S1 C8A 101.2(5) . 2_655 ? C3 S1 C8A 70.3(5) . 2_655 ? C4 S1 C8A 76.8(4) . 2_655 ? C2 S1 C8A 109.1(3) . 2_655 ? S2 S1 C8A 89.76(19) . 2_655 ? O4 S1 C8A 67.7(4) 1_554 2_655 ? S5A S1 C8A 67.20(19) . 2_655 ? S3 S1 C8A 114.02(18) . 2_655 ? O1 S1 C8A 121.1(3) 2 2_655 ? C6 S1 C8A 24.9(2) 2_655 2_655 ? S4 S1 C8A 46.63(15) 2_655 2_655 ? S6B S1 C8A 0.0(3) 2_655 2_655 ? C1 S1 C8A 77.2(5) . 2 ? C3 S1 C8A 110.4(5) . 2 ? C4 S1 C8A 103.1(4) . 2 ? C2 S1 C8A 69.1(3) . 2 ? S2 S1 C8A 89.25(19) . 2 ? O4 S1 C8A 113.9(4) 1_554 2 ? S5A S1 C8A 114.2(2) . 2 ? S3 S1 C8A 64.57(16) . 2 ? O1 S1 C8A 59.2(3) 2 2 ? C6 S1 C8A 153.4(3) 2_655 2 ? S4 S1 C8A 131.96(17) 2_655 2 ? S6B S1 C8A 178.3(3) 2_655 2 ? C8A S1 C8A 178.3(3) 2_655 2 ? C1 S1 S6B 77.2(5) . 2 ? C3 S1 S6B 110.4(5) . 2 ? C4 S1 S6B 103.1(4) . 2 ? C2 S1 S6B 69.1(3) . 2 ? S2 S1 S6B 89.25(19) . 2 ? O4 S1 S6B 113.9(4) 1_554 2 ? S5A S1 S6B 114.2(2) . 2 ? S3 S1 S6B 64.57(16) . 2 ? O1 S1 S6B 59.2(3) 2 2 ? C6 S1 S6B 153.4(3) 2_655 2 ? S4 S1 S6B 131.96(17) 2_655 2 ? S6B S1 S6B 178.3(3) 2_655 2 ? C8A S1 S6B 178.3(3) 2_655 2 ? C8A S1 S6B 0.0(3) 2 2 ? C4 S2 C1 94.5(7) . . ? C4 S2 C3 26.4(6) . . ? C1 S2 C3 68.1(5) . . ? C4 S2 C2 120.1(6) . . ? C1 S2 C2 25.6(5) . . ? C3 S2 C2 93.7(4) . . ? C4 S2 S1 62.3(5) . . ? C1 S2 S1 32.1(4) . . ? C3 S2 S1 36.0(3) . . ? C2 S2 S1 57.7(3) . . ? C4 S2 C7A 27.4(5) . . ? C1 S2 C7A 121.8(5) . . ? C3 S2 C7A 53.7(3) . . ? C2 S2 C7A 147.4(4) . . ? S1 S2 C7A 89.7(2) . . ? C4 S2 S4 152.8(6) . . ? C1 S2 S4 58.4(5) . . ? C3 S2 S4 126.5(3) . . ? C2 S2 S4 32.8(3) . . ? S1 S2 S4 90.52(14) . . ? C7A S2 S4 178.9(2) . . ? C4 S2 O2 71.9(5) . 2_565 ? C1 S2 O2 112.9(5) . 2_565 ? C3 S2 O2 83.0(4) . 2_565 ? C2 S2 O2 117.4(4) . 2_565 ? S1 S2 O2 100.0(3) . 2_565 ? C7A S2 O2 65.5(3) . 2_565 ? S4 S2 O2 115.5(3) . 2_565 ? C4 S2 C5 82.6(6) . 2_655 ? C1 S2 C5 78.9(5) . 2_655 ? C3 S2 C5 78.5(4) . 2_655 ? C2 S2 C5 84.4(4) . 2_655 ? S1 S2 C5 76.5(2) . 2_655 ? C7A S2 C5 86.9(3) . 2_655 ? S4 S2 C5 92.1(2) . 2_655 ? O2 S2 C5 152.3(3) 2_565 2_655 ? C4 S2 S3 110.4(5) . 2_655 ? C1 S2 S3 77.4(5) . 2_655 ? C3 S2 S3 103.5(3) . 2_655 ? C2 S2 S3 70.9(3) . 2_655 ? S1 S2 S3 89.96(14) . 2_655 ? C7A S2 S3 111.5(2) . 2_655 ? S4 S2 S3 67.46(13) . 2_655 ? O2 S2 S3 169.4(3) 2_565 2_655 ? C5 S2 S3 27.8(2) 2_655 2_655 ? C4 S2 S2 93.0(6) . 2_665 ? C1 S2 S2 160.3(5) . 2_665 ? C3 S2 S2 118.1(3) . 2_665 ? C2 S2 S2 143.0(3) . 2_665 ? S1 S2 S2 150.13(19) . 2_665 ? C7A S2 S2 66.5(2) . 2_665 ? S4 S2 S2 112.98(17) . 2_665 ? O2 S2 S2 86.7(3) 2_565 2_665 ? C5 S2 S2 84.1(3) 2_655 2_665 ? S3 S2 S2 82.93(16) 2_655 2_665 ? C4 S2 S5B 140.9(6) . 2_665 ? C1 S2 S5B 120.2(5) . 2_665 ? C3 S2 S5B 161.4(4) . 2_665 ? C2 S2 S5B 95.9(3) . 2_665 ? S1 S2 S5B 149.6(2) . 2_665 ? C7A S2 S5B 114.9(2) . 2_665 ? S4 S2 S5B 64.59(17) . 2_665 ? O2 S2 S5B 106.3(3) 2_565 2_665 ? C5 S2 S5B 86.7(3) 2_655 2_665 ? S3 S2 S5B 65.14(17) 2_655 2_665 ? S2 S2 S5B 48.39(16) 2_665 2_665 ? C4 S2 C7A 140.9(6) . 2_665 ? C1 S2 C7A 120.2(5) . 2_665 ? C3 S2 C7A 161.4(4) . 2_665 ? C2 S2 C7A 95.9(3) . 2_665 ? S1 S2 C7A 149.6(2) . 2_665 ? C7A S2 C7A 114.9(2) . 2_665 ? S4 S2 C7A 64.59(17) . 2_665 ? O2 S2 C7A 106.3(3) 2_565 2_665 ? C5 S2 C7A 86.7(3) 2_655 2_665 ? S3 S2 C7A 65.14(17) 2_655 2_665 ? S2 S2 C7A 48.39(16) 2_665 2_665 ? S5B S2 C7A 0.0(4) 2_665 2_665 ? C4 S2 C8B 110.1(5) . 2 ? C1 S2 C8B 78.4(5) . 2 ? C3 S2 C8B 102.9(3) . 2 ? C2 S2 C8B 70.3(3) . 2 ? S1 S2 C8B 89.85(15) . 2 ? C7A S2 C8B 114.6(2) . 2 ? S4 S2 C8B 66.45(13) . 2 ? O2 S2 C8B 50.3(3) 2_565 2 ? C5 S2 C8B 154.7(2) 2_655 2 ? S3 S2 C8B 133.91(14) 2_655 2 ? S2 S2 C8B 115.82(17) 2_665 2 ? S5B S2 C8B 95.25(19) 2_665 2 ? C7A S2 C8B 95.25(19) 2_665 2 ? C4 S2 S6A 110.1(5) . 2 ? C1 S2 S6A 78.4(5) . 2 ? C3 S2 S6A 102.9(3) . 2 ? C2 S2 S6A 70.3(3) . 2 ? S1 S2 S6A 89.85(15) . 2 ? C7A S2 S6A 114.6(2) . 2 ? S4 S2 S6A 66.45(13) . 2 ? O2 S2 S6A 50.3(3) 2_565 2 ? C5 S2 S6A 154.7(2) 2_655 2 ? S3 S2 S6A 133.91(14) 2_655 2 ? S2 S2 S6A 115.82(17) 2_665 2 ? S5B S2 S6A 95.25(19) 2_665 2 ? C7A S2 S6A 95.25(19) 2_665 2 ? C8B S2 S6A 0.00(18) 2 2 ? C5 S3 C2 93.9(7) . . ? C5 S3 C6 26.7(5) . . ? C2 S3 C6 67.2(6) . . ? C5 S3 C1 119.4(5) . . ? C2 S3 C1 25.6(6) . . ? C6 S3 C1 92.7(4) . . ? C5 S3 S4 62.2(4) . . ? C2 S3 S4 31.7(5) . . ? C6 S3 S4 35.5(3) . . ? C1 S3 S4 57.3(3) . . ? C5 S3 O2 90.2(5) . 2 ? C2 S3 O2 164.1(6) . 2 ? C6 S3 O2 116.1(4) . 2 ? C1 S3 O2 146.2(4) . 2 ? S4 S3 O2 149.3(3) . 2 ? C5 S3 S6A 27.8(4) . . ? C2 S3 S6A 121.6(5) . . ? C6 S3 S6A 54.5(3) . . ? C1 S3 S6A 147.1(3) . . ? S4 S3 S6A 89.94(15) . . ? O2 S3 S6A 63.2(3) 2 . ? C5 S3 O1 141.5(5) . 2 ? C2 S3 O1 116.9(5) . 2 ? C6 S3 O1 158.6(4) . 2 ? C1 S3 O1 92.7(4) . 2 ? S4 S3 O1 145.1(3) . 2 ? O2 S3 O1 54.1(3) 2 2 ? S6A S3 O1 116.7(3) . 2 ? C5 S3 S1 151.8(5) . . ? C2 S3 S1 58.2(5) . . ? C6 S3 S1 125.3(3) . . ? C1 S3 S1 32.6(3) . . ? S4 S3 S1 89.88(13) . . ? O2 S3 S1 115.8(3) 2 . ? S6A S3 S1 175.82(17) . . ? O1 S3 S1 61.9(3) 2 . ? C5 S3 Re 113.2(5) . 2 ? C2 S3 Re 138.4(5) . 2 ? C6 S3 Re 135.0(4) . 2 ? C1 S3 Re 118.0(3) . 2 ? S4 S3 Re 151.64(15) . 2 ? O2 S3 Re 28.3(2) 2 2 ? S6A S3 Re 88.64(14) . 2 ? O1 S3 Re 28.4(2) 2 2 ? S1 S3 Re 89.54(12) . 2 ? C5 S3 S2 73.7(5) . 2_655 ? C2 S3 S2 100.5(5) . 2_655 ? C6 S3 S2 79.0(3) . 2_655 ? C1 S3 S2 107.7(3) . 2_655 ? S4 S3 S2 89.62(14) . 2_655 ? O2 S3 S2 95.4(3) 2 2_655 ? S6A S3 S2 72.29(15) . 2_655 ? O1 S3 S2 118.7(3) 2 2_655 ? S1 S3 S2 111.88(15) . 2_655 ? Re S3 S2 116.75(12) 2 2_655 ? C5 S3 C1 75.5(5) . 2_655 ? C2 S3 C1 72.9(5) . 2_655 ? C6 S3 C1 68.0(4) . 2_655 ? C1 S3 C1 82.8(4) . 2_655 ? S4 S3 C1 65.8(2) . 2_655 ? O2 S3 C1 123.0(4) 2 2_655 ? S6A S3 C1 86.8(3) . 2_655 ? O1 S3 C1 133.3(4) 2 2_655 ? S1 S3 C1 96.9(2) . 2_655 ? Re S3 C1 142.3(2) 2 2_655 ? S2 S3 C1 27.6(2) 2_655 2_655 ? C5 S3 C6 83.2(5) . 2 ? C2 S3 C6 79.7(5) . 2 ? C6 S3 C6 79.8(4) . 2 ? C1 S3 C6 82.5(4) . 2 ? S4 S3 C6 78.4(2) . 2 ? O2 S3 C6 85.6(4) 2 2 ? S6A S3 C6 87.8(3) . 2 ? O1 S3 C6 80.5(4) 2 2 ? S1 S3 C6 88.1(2) . 2 ? Re S3 C6 73.3(2) 2 2 ? S2 S3 C6 156.8(2) 2_655 2 ? C1 S3 C6 143.7(3) 2_655 2 ? C5 S3 C2 94.6(5) . 2_655 ? C2 S3 C2 61.4(6) . 2_655 ? C6 S3 C2 81.2(4) . 2_655 ? C1 S3 C2 64.5(4) . 2_655 ? S4 S3 C2 66.4(2) . 2_655 ? O2 S3 C2 133.6(4) 2 2_655 ? S6A S3 C2 108.1(3) . 2_655 ? O1 S3 C2 119.7(4) 2 2_655 ? S1 S3 C2 75.6(2) . 2_655 ? Re S3 C2 140.2(2) 2 2_655 ? S2 S3 C2 43.2(2) 2_655 2_655 ? C1 S3 C2 21.3(3) 2_655 2_655 ? C6 S3 C2 140.8(3) 2 2_655 ? C5 S3 S4 118.1(5) . 2_655 ? C2 S3 S4 74.4(5) . 2_655 ? C6 S3 S4 107.6(4) . 2_655 ? C1 S3 S4 65.4(3) . 2_655 ? S4 S3 S4 89.52(13) . 2_655 ? O2 S3 S4 117.0(3) 2 2_655 ? S6A S3 S4 123.07(16) . 2_655 ? O1 S3 S4 93.5(3) 2 2_655 ? S1 S3 S4 61.10(12) . 2_655 ? Re S3 S4 114.73(12) 2 2_655 ? S2 S3 S4 50.78(10) 2_655 2_655 ? C1 S3 S4 42.6(2) 2_655 2_655 ? C6 S3 S4 147.1(3) 2 2_655 ? C2 S3 S4 26.4(2) 2_655 2_655 ? C5 S3 S6B 108.0(5) . 2 ? C2 S3 S6B 78.3(5) . 2 ? C6 S3 S6B 101.9(4) . 2 ? C1 S3 S6B 70.5(3) . 2 ? S4 S3 S6B 90.09(19) . 2 ? O2 S3 S6B 85.8(3) 2 2 ? S6A S3 S6B 109.7(2) . 2 ? O1 S3 S6B 60.8(3) 2 2 ? S1 S3 S6B 66.09(17) . 2 ? Re S3 S6B 63.93(16) 2 2 ? S2 S3 S6B 177.96(18) 2_655 2 ? C1 S3 S6B 151.2(3) 2_655 2 ? C6 S3 S6B 24.8(2) 2 2 ? C2 S3 S6B 135.0(3) 2_655 2 ? S4 S3 S6B 127.19(18) 2_655 2 ? C5 S3 C8A 108.0(5) . 2 ? C2 S3 C8A 78.3(5) . 2 ? C6 S3 C8A 101.9(4) . 2 ? C1 S3 C8A 70.5(3) . 2 ? S4 S3 C8A 90.09(19) . 2 ? O2 S3 C8A 85.8(3) 2 2 ? S6A S3 C8A 109.7(2) . 2 ? O1 S3 C8A 60.8(3) 2 2 ? S1 S3 C8A 66.09(17) . 2 ? Re S3 C8A 63.93(16) 2 2 ? S2 S3 C8A 177.96(18) 2_655 2 ? C1 S3 C8A 151.2(3) 2_655 2 ? C6 S3 C8A 24.8(2) 2 2 ? C2 S3 C8A 135.0(3) 2_655 2 ? S4 S3 C8A 127.19(18) 2_655 2 ? S6B S3 C8A 0.0(5) 2 2 ? C6 S4 C2 93.9(7) . . ? C6 S4 C5 26.6(5) . . ? C2 S4 C5 67.3(6) . . ? C6 S4 C1 119.3(5) . . ? C2 S4 C1 25.4(5) . . ? C5 S4 C1 92.7(4) . . ? C6 S4 O3 90.5(6) . . ? C2 S4 O3 171.8(6) . . ? C5 S4 O3 117.0(5) . . ? C1 S4 O3 149.1(5) . . ? C6 S4 S3 62.2(5) . . ? C2 S4 S3 31.7(5) . . ? C5 S4 S3 35.6(3) . . ? C1 S4 S3 57.2(3) . . ? O3 S4 S3 152.2(4) . . ? C6 S4 C8A 26.8(5) . . ? C2 S4 C8A 120.7(5) . . ? C5 S4 C8A 53.4(3) . . ? C1 S4 C8A 146.0(4) . . ? O3 S4 C8A 63.9(4) . . ? S3 S4 C8A 89.0(2) . . ? C6 S4 S2 152.1(5) . . ? C2 S4 S2 58.4(5) . . ? C5 S4 S2 125.6(3) . . ? C1 S4 S2 33.0(3) . . ? O3 S4 S2 116.5(4) . . ? S3 S4 S2 90.14(13) . . ? C8A S4 S2 175.6(2) . . ? C6 S4 S1 73.2(5) . 2_655 ? C2 S4 S1 101.5(5) . 2_655 ? C5 S4 S1 79.4(3) . 2_655 ? C1 S4 S1 108.7(3) . 2_655 ? O3 S4 S1 86.4(3) . 2_655 ? S3 S4 S1 90.40(14) . 2_655 ? C8A S4 S1 71.1(2) . 2_655 ? S2 S4 S1 113.26(15) . 2_655 ? C6 S4 C1 75.7(6) . 2_655 ? C2 S4 C1 73.8(5) . 2_655 ? C5 S4 C1 69.0(4) . 2_655 ? C1 S4 C1 83.3(4) . 2_655 ? O3 S4 C1 114.1(4) . 2_655 ? S3 S4 C1 66.8(2) . 2_655 ? C8A S4 C1 85.9(3) . 2_655 ? S2 S4 C1 97.7(2) . 2_655 ? S1 S4 C1 27.7(2) 2_655 2_655 ? C6 S4 S5B 143.1(5) . 2_665 ? C2 S4 S5B 120.0(5) . 2_665 ? C5 S4 S5B 164.3(3) . 2_665 ? C1 S4 S5B 95.6(3) . 2_665 ? O3 S4 S5B 57.9(4) . 2_665 ? S3 S4 S5B 149.31(19) . 2_665 ? C8A S4 S5B 117.9(2) . 2_665 ? S2 S4 S5B 64.16(16) . 2_665 ? S1 S4 S5B 85.30(18) 2_655 2_665 ? C1 S4 S5B 98.7(3) 2_655 2_665 ? C6 S4 C7A 143.1(5) . 2_665 ? C2 S4 C7A 120.0(5) . 2_665 ? C5 S4 C7A 164.3(3) . 2_665 ? C1 S4 C7A 95.6(3) . 2_665 ? O3 S4 C7A 57.9(4) . 2_665 ? S3 S4 C7A 149.31(19) . 2_665 ? C8A S4 C7A 117.9(2) . 2_665 ? S2 S4 C7A 64.16(16) . 2_665 ? S1 S4 C7A 85.30(18) 2_655 2_665 ? C1 S4 C7A 98.7(3) 2_655 2_665 ? S5B S4 C7A 0.0(5) 2_665 2_665 ? C6 S4 C5 82.7(6) . 2 ? C2 S4 C5 78.0(5) . 2 ? C5 S4 C5 78.2(4) . 2 ? C1 S4 C5 81.4(4) . 2 ? O3 S4 C5 95.7(4) . 2 ? S3 S4 C5 76.5(2) . 2 ? C8A S4 C5 88.1(3) . 2 ? S2 S4 C5 87.5(2) . 2 ? S1 S4 C5 155.7(2) 2_655 2 ? C1 S4 C5 142.9(3) 2_655 2 ? S5B S4 C5 116.3(3) 2_665 2 ? C7A S4 C5 116.3(3) 2_665 2 ? C6 S4 C2 94.9(6) . 2_655 ? C2 S4 C2 62.2(6) . 2_655 ? C5 S4 C2 82.1(4) . 2_655 ? C1 S4 C2 64.9(4) . 2_655 ? O3 S4 C2 124.4(4) . 2_655 ? S3 S4 C2 67.3(2) . 2_655 ? C8A S4 C2 107.3(3) . 2_655 ? S2 S4 C2 76.2(2) . 2_655 ? S1 S4 C2 43.8(2) 2_655 2_655 ? C1 S4 C2 21.5(3) 2_655 2_655 ? S5B S4 C2 89.3(3) 2_665 2_655 ? C7A S4 C2 89.3(3) 2_665 2_655 ? C5 S4 C2 139.9(3) 2 2_655 ? C6 S4 S3 118.3(5) . 2_655 ? C2 S4 S3 75.2(5) . 2_655 ? C5 S4 S3 108.6(3) . 2_655 ? C1 S4 S3 66.0(3) . 2_655 ? O3 S4 S3 108.6(3) . 2_655 ? S3 S4 S3 90.48(13) . 2_655 ? C8A S4 S3 122.5(2) . 2_655 ? S2 S4 S3 61.76(12) . 2_655 ? S1 S4 S3 51.50(10) 2_655 2_655 ? C1 S4 S3 42.7(2) 2_655 2_655 ? S5B S4 S3 63.29(17) 2_665 2_655 ? C7A S4 S3 63.29(17) 2_665 2_655 ? C5 S4 S3 146.8(2) 2 2_655 ? C2 S4 S3 26.5(2) 2_655 2_655 ? C6 S4 O2 104.2(5) . . ? C2 S4 O2 125.4(5) . . ? C5 S4 O2 119.4(4) . . ? C1 S4 O2 112.5(4) . . ? O3 S4 O2 46.6(4) . . ? S3 S4 O2 131.0(3) . . ? C8A S4 O2 86.4(3) . . ? S2 S4 O2 90.9(2) . . ? S1 S4 O2 133.0(2) 2_655 . ? C1 S4 O2 160.5(3) 2_655 . ? S5B S4 O2 69.3(3) 2_665 . ? C7A S4 O2 69.3(3) 2_665 . ? C5 S4 O2 54.6(3) 2 . ? C2 S4 O2 158.3(3) 2_655 . ? S3 S4 O2 131.9(2) 2_655 . ? C6 S4 C8B 108.9(5) . 2 ? C2 S4 C8B 76.7(5) . 2 ? C5 S4 C8B 101.7(3) . 2 ? C1 S4 C8B 68.8(3) . 2 ? O3 S4 C8B 95.3(3) . 2 ? S3 S4 C8B 89.07(14) . 2 ? C8A S4 C8B 111.6(2) . 2 ? S2 S4 C8B 64.03(13) . 2 ? S1 S4 C8B 177.24(13) 2_655 2 ? C1 S4 C8B 150.4(2) 2_655 2 ? S5B S4 C8B 93.79(18) 2_665 2 ? C7A S4 C8B 93.79(18) 2_665 2 ? C5 S4 C8B 26.3(2) 2 2 ? C2 S4 C8B 133.6(2) 2_655 2 ? S3 S4 C8B 125.79(14) 2_655 2 ? O2 S4 C8B 48.7(2) . 2 ? C6 S4 S6A 108.9(5) . 2 ? C2 S4 S6A 76.7(5) . 2 ? C5 S4 S6A 101.7(3) . 2 ? C1 S4 S6A 68.8(3) . 2 ? O3 S4 S6A 95.3(3) . 2 ? S3 S4 S6A 89.07(14) . 2 ? C8A S4 S6A 111.6(2) . 2 ? S2 S4 S6A 64.03(13) . 2 ? S1 S4 S6A 177.24(13) 2_655 2 ? C1 S4 S6A 150.4(2) 2_655 2 ? S5B S4 S6A 93.79(18) 2_665 2 ? C7A S4 S6A 93.79(18) 2_665 2 ? C5 S4 S6A 26.3(2) 2 2 ? C2 S4 S6A 133.6(2) 2_655 2 ? S3 S4 S6A 125.79(14) 2_655 2 ? O2 S4 S6A 48.7(2) . 2 ? C8B S4 S6A 0.0(2) 2 2 ? C2 C1 S1 123.0(10) . . ? C2 C1 S2 121.3(11) . . ? S1 C1 S2 115.7(8) . . ? C2 C1 C3 166.1(11) . . ? S1 C1 C3 43.2(5) . . ? S2 C1 C3 72.5(6) . . ? C2 C1 C4 163.8(11) . . ? S1 C1 C4 73.1(6) . . ? S2 C1 C4 42.6(5) . . ? C3 C1 C4 29.8(5) . . ? C2 C1 S3 32.9(7) . . ? S1 C1 S3 90.1(5) . . ? S2 C1 S3 154.0(7) . . ? C3 C1 S3 133.3(6) . . ? C4 C1 S3 163.1(7) . . ? C2 C1 S4 32.7(7) . . ? S1 C1 S4 155.6(7) . . ? S2 C1 S4 88.6(5) . . ? C3 C1 S4 161.0(6) . . ? C4 C1 S4 131.2(6) . . ? S3 C1 S4 65.5(3) . . ? C2 C1 C2 67.7(9) . 2_655 ? S1 C1 C2 102.9(6) . 2_655 ? S2 C1 C2 102.6(6) . 2_655 ? C3 C1 C2 113.4(6) . 2_655 ? C4 C1 C2 113.0(6) . 2_655 ? S3 C1 C2 72.0(4) . 2_655 ? S4 C1 C2 71.4(4) . 2_655 ? C2 C1 C6 107.3(9) . 2_655 ? S1 C1 C6 72.7(5) . 2_655 ? S2 C1 C6 91.3(6) . 2_655 ? C3 C1 C6 72.3(5) . 2_655 ? C4 C1 C6 78.0(5) . 2_655 ? S3 C1 C6 99.3(5) . 2_655 ? S4 C1 C6 110.5(5) . 2_655 ? C2 C1 C6 41.1(4) 2_655 2_655 ? C2 C1 S4 83.1(9) . 2_655 ? S1 C1 S4 75.2(5) . 2_655 ? S2 C1 S4 115.4(6) . 2_655 ? C3 C1 S4 92.8(5) . 2_655 ? C4 C1 S4 104.7(5) . 2_655 ? S3 C1 S4 71.9(3) . 2_655 ? S4 C1 S4 96.7(4) . 2_655 ? C2 C1 S4 27.7(3) 2_655 2_655 ? C6 C1 S4 27.4(2) 2_655 2_655 ? C2 C1 C10 93.6(9) . 2 ? S1 C1 C10 85.7(6) . 2 ? S2 C1 C10 88.2(6) . 2 ? C3 C1 C10 84.4(5) . 2 ? C4 C1 C10 85.3(5) . 2 ? S3 C1 C10 91.5(4) . 2 ? S4 C1 C10 93.8(5) . 2 ? C2 C1 C10 161.2(5) 2_655 2 ? C6 C1 C10 155.7(5) 2_655 2 ? S4 C1 C10 154.3(5) 2_655 2 ? C2 C1 C5 107.2(9) . 2_655 ? S1 C1 C5 90.6(6) . 2_655 ? S2 C1 C5 73.2(5) . 2_655 ? C3 C1 C5 77.6(5) . 2_655 ? C4 C1 C5 72.1(5) . 2_655 ? S3 C1 C5 111.0(5) . 2_655 ? S4 C1 C5 98.7(4) . 2_655 ? C2 C1 C5 41.0(3) 2_655 2_655 ? C6 C1 C5 21.1(3) 2_655 2_655 ? S4 C1 C5 42.3(3) 2_655 2_655 ? C10 C1 C5 157.2(5) 2 2_655 ? C2 C1 S3 83.0(8) . 2_655 ? S1 C1 S3 114.8(6) . 2_655 ? S2 C1 S3 75.0(5) . 2_655 ? C3 C1 S3 104.0(5) . 2_655 ? C4 C1 S3 91.9(5) . 2_655 ? S3 C1 S3 97.2(4) . 2_655 ? S4 C1 S3 71.4(3) . 2_655 ? C2 C1 S3 27.6(2) 2_655 2_655 ? C6 C1 S3 42.2(3) 2_655 2_655 ? S4 C1 S3 47.5(2) 2_655 2_655 ? C10 C1 S3 157.5(5) 2 2_655 ? C5 C1 S3 27.3(2) 2_655 2_655 ? C2 C1 C8B 80.2(9) . 2 ? S1 C1 C8B 113.1(6) . 2 ? S2 C1 C8B 75.2(5) . 2 ? C3 C1 C8B 103.1(5) . 2 ? C4 C1 C8B 91.8(5) . 2 ? S3 C1 C8B 93.0(4) . 2 ? S4 C1 C8B 69.7(3) . 2 ? C2 C1 C8B 141.1(4) 2_655 2 ? C6 C1 C8B 166.5(5) 2_655 2 ? S4 C1 C8B 163.3(4) 2_655 2 ? C10 C1 C8B 27.5(3) 2 2 ? C5 C1 C8B 146.5(4) 2_655 2 ? S3 C1 C8B 130.8(4) 2_655 2 ? C2 C1 S6A 80.2(9) . 2 ? S1 C1 S6A 113.1(6) . 2 ? S2 C1 S6A 75.2(5) . 2 ? C3 C1 S6A 103.1(5) . 2 ? C4 C1 S6A 91.8(5) . 2 ? S3 C1 S6A 93.0(4) . 2 ? S4 C1 S6A 69.7(3) . 2 ? C2 C1 S6A 141.1(4) 2_655 2 ? C6 C1 S6A 166.5(5) 2_655 2 ? S4 C1 S6A 163.3(4) 2_655 2 ? C10 C1 S6A 27.5(3) 2 2 ? C5 C1 S6A 146.5(4) 2_655 2 ? S3 C1 S6A 130.8(4) 2_655 2 ? C8B C1 S6A 0.00(18) 2 2 ? C2 C1 C6 9.9(7) . . ? S1 C1 C6 132.8(6) . . ? S2 C1 C6 111.4(6) . . ? C3 C1 C6 175.0(6) . . ? C4 C1 C6 153.9(6) . . ? S3 C1 C6 42.7(3) . . ? S4 C1 C6 22.8(3) . . ? C2 C1 C6 69.4(4) 2_655 . ? C6 C1 C6 110.3(4) 2_655 . ? S4 C1 C6 88.4(4) 2_655 . ? C10 C1 C6 92.4(4) 2 . ? C5 C1 C6 106.5(4) 2_655 . ? S3 C1 C6 80.4(4) 2_655 . ? C8B C1 C6 75.3(3) 2 . ? S6A C1 C6 75.3(3) 2 . ? C2 C1 C5 10.1(7) . . ? S1 C1 C5 113.0(6) . . ? S2 C1 C5 131.2(6) . . ? C3 C1 C5 156.0(6) . . ? C4 C1 C5 173.0(6) . . ? S3 C1 C5 22.9(2) . . ? S4 C1 C5 42.7(3) . . ? C2 C1 C5 69.8(4) 2_655 . ? C6 C1 C5 106.8(4) 2_655 . ? S4 C1 C5 80.7(3) 2_655 . ? C10 C1 C5 91.5(4) 2 . ? C5 C1 C5 110.6(4) 2_655 . ? S3 C1 C5 88.6(4) 2_655 . ? C8B C1 C5 82.6(3) 2 . ? S6A C1 C5 82.6(3) 2 . ? C6 C1 C5 19.8(3) . . ? C1 C2 S4 121.9(11) . . ? C1 C2 S3 121.5(11) . . ? S4 C2 S3 116.5(8) . . ? C1 C2 C6 164.6(11) . . ? S4 C2 C6 42.9(5) . . ? S3 C2 C6 73.6(6) . . ? C1 C2 C5 164.4(11) . . ? S4 C2 C5 73.5(6) . . ? S3 C2 C5 43.0(5) . . ? C6 C2 C5 30.6(5) . . ? C1 C2 S2 33.1(7) . . ? S4 C2 S2 88.8(5) . . ? S3 C2 S2 154.6(8) . . ? C6 C2 S2 131.6(6) . . ? C5 C2 S2 162.0(7) . . ? C1 C2 S1 32.1(7) . . ? S4 C2 S1 154.0(7) . . ? S3 C2 S1 89.4(6) . . ? C6 C2 S1 162.9(7) . . ? C5 C2 S1 132.4(6) . . ? S2 C2 S1 65.2(3) . . ? C1 C2 C2 89.6(10) . 2_655 ? S4 C2 C2 90.3(7) . 2_655 ? S3 C2 C2 91.2(7) . 2_655 ? C6 C2 C2 92.5(7) . 2_655 ? C5 C2 C2 93.0(7) . 2_655 ? S2 C2 C2 90.5(6) . 2_655 ? S1 C2 C2 90.3(6) . 2_655 ? C1 C2 C1 112.3(9) . 2_655 ? S4 C2 C1 78.5(5) . 2_655 ? S3 C2 C1 79.5(5) . 2_655 ? C6 C2 C1 70.7(5) . 2_655 ? C5 C2 C1 71.1(5) . 2_655 ? S2 C2 C1 109.4(5) . 2_655 ? S1 C2 C1 109.4(5) . 2_655 ? C2 C2 C1 22.7(4) 2_655 2_655 ? C1 C2 S4 75.5(8) . 2_655 ? S4 C2 S4 117.8(6) . 2_655 ? S3 C2 S4 79.1(5) . 2_655 ? C6 C2 S4 112.2(6) . 2_655 ? C5 C2 S4 100.2(5) . 2_655 ? S2 C2 S4 91.0(4) . 2_655 ? S1 C2 S4 65.7(3) . 2_655 ? C2 C2 S4 27.6(3) 2_655 2_655 ? C1 C2 S4 43.7(3) 2_655 2_655 ? C1 C2 S3 75.7(8) . 2_655 ? S4 C2 S3 78.4(5) . 2_655 ? S3 C2 S3 118.6(6) . 2_655 ? C6 C2 S3 99.7(5) . 2_655 ? C5 C2 S3 112.5(5) . 2_655 ? S2 C2 S3 65.9(3) . 2_655 ? S1 C2 S3 90.5(4) . 2_655 ? C2 C2 S3 27.4(3) 2_655 2_655 ? C1 C2 S3 43.4(3) 2_655 2_655 ? S4 C2 S3 46.24(19) 2_655 2_655 ? C1 C2 C5 102.1(9) . 2 ? S4 C2 C5 75.2(5) . 2 ? S3 C2 C5 91.0(6) . 2 ? C6 C2 C5 73.6(5) . 2 ? C5 C2 C5 78.4(5) . 2 ? S2 C2 C5 94.0(4) . 2 ? S1 C2 C5 104.9(5) . 2 ? C2 C2 C5 164.6(7) 2_655 2 ? C1 C2 C5 144.2(5) 2_655 2 ? S4 C2 C5 166.2(5) 2_655 2 ? S3 C2 C5 147.0(5) 2_655 2 ? C1 C2 C6 102.1(9) . 2 ? S4 C2 C6 92.6(6) . 2 ? S3 C2 C6 73.6(5) . 2 ? C6 C2 C6 79.1(6) . 2 ? C5 C2 C6 72.9(5) . 2 ? S2 C2 C6 105.1(5) . 2 ? S1 C2 C6 93.9(4) . 2 ? C2 C2 C6 164.2(7) 2_655 2 ? C1 C2 C6 144.1(5) 2_655 2 ? S4 C2 C6 146.1(5) 2_655 2 ? S3 C2 C6 167.1(5) 2_655 2 ? C5 C2 C6 20.3(3) 2 2 ? C1 C2 C8B 79.1(8) . 2 ? S4 C2 C8B 77.3(5) . 2 ? S3 C2 C8B 113.9(6) . 2 ? C6 C2 C8B 92.9(5) . 2 ? C5 C2 C8B 104.0(5) . 2 ? S2 C2 C8B 67.8(3) . 2 ? S1 C2 C8B 91.6(4) . 2 ? C2 C2 C8B 154.9(7) 2_655 2 ? C1 C2 C8B 155.7(5) 2_655 2 ? S4 C2 C8B 154.5(4) 2_655 2 ? S3 C2 C8B 127.5(4) 2_655 2 ? C5 C2 C8B 26.2(2) 2 2 ? C6 C2 C8B 40.3(3) 2 2 ? C1 C2 S6A 79.1(8) . 2 ? S4 C2 S6A 77.3(5) . 2 ? S3 C2 S6A 113.9(6) . 2 ? C6 C2 S6A 92.9(5) . 2 ? C5 C2 S6A 104.0(5) . 2 ? S2 C2 S6A 67.8(3) . 2 ? S1 C2 S6A 91.6(4) . 2 ? C2 C2 S6A 154.9(7) 2_655 2 ? C1 C2 S6A 155.7(5) 2_655 2 ? S4 C2 S6A 154.5(4) 2_655 2 ? S3 C2 S6A 127.5(4) 2_655 2 ? C5 C2 S6A 26.2(2) 2 2 ? C6 C2 S6A 40.3(3) 2 2 ? C8B C2 S6A 0.0(2) 2 2 ? C1 C2 C3 9.0(7) . . ? S4 C2 C3 130.8(6) . . ? S3 C2 C3 112.6(6) . . ? C6 C2 C3 172.9(6) . . ? C5 C2 C3 155.4(6) . . ? S2 C2 C3 42.0(3) . . ? S1 C2 C3 23.2(3) . . ? C2 C2 C3 90.7(6) 2_655 . ? C1 C2 C3 113.2(5) 2_655 . ? S4 C2 C3 73.1(3) 2_655 . ? S3 C2 C3 80.5(4) 2_655 . ? C5 C2 C3 102.4(4) 2 . ? C6 C2 C3 99.1(4) 2 . ? C8B C2 C3 81.5(3) 2 . ? S6A C2 C3 81.5(3) 2 . ? C1 C2 C4 10.5(7) . . ? S4 C2 C4 111.4(6) . . ? S3 C2 C4 132.0(7) . . ? C6 C2 C4 154.1(6) . . ? C5 C2 C4 173.8(6) . . ? S2 C2 C4 22.7(3) . . ? S1 C2 C4 42.6(3) . . ? C2 C2 C4 90.7(6) 2_655 . ? C1 C2 C4 113.0(5) 2_655 . ? S4 C2 C4 80.9(4) 2_655 . ? S3 C2 C4 72.7(3) 2_655 . ? C5 C2 C4 99.1(4) 2 . ? C6 C2 C4 102.7(4) 2 . ? C8B C2 C4 74.2(3) 2 . ? S6A C2 C4 74.2(3) 2 . ? C3 C2 C4 19.4(3) . . ? C1 C2 S6B 80.4(8) . 2 ? S4 C2 S6B 113.8(6) . 2 ? S3 C2 S6B 75.8(5) . 2 ? C6 C2 S6B 103.0(6) . 2 ? C5 C2 S6B 91.2(5) . 2 ? S2 C2 S6B 92.8(4) . 2 ? S1 C2 S6B 69.5(3) . 2 ? C2 C2 S6B 155.8(7) 2_655 2 ? C1 C2 S6B 155.3(5) 2_655 2 ? S4 C2 S6B 128.3(4) 2_655 2 ? S3 C2 S6B 156.0(4) 2_655 2 ? C5 C2 S6B 38.6(3) 2 2 ? C6 C2 S6B 24.4(2) 2 2 ? C8B C2 S6B 43.9(2) 2 2 ? S6A C2 S6B 43.9(2) 2 2 ? C3 C2 S6B 76.0(4) . 2 ? C4 C2 S6B 83.4(4) . 2 ? C1 C2 C8A 80.4(8) . 2 ? S4 C2 C8A 113.8(6) . 2 ? S3 C2 C8A 75.8(5) . 2 ? C6 C2 C8A 103.0(6) . 2 ? C5 C2 C8A 91.2(5) . 2 ? S2 C2 C8A 92.8(4) . 2 ? S1 C2 C8A 69.5(3) . 2 ? C2 C2 C8A 155.8(7) 2_655 2 ? C1 C2 C8A 155.3(5) 2_655 2 ? S4 C2 C8A 128.3(4) 2_655 2 ? S3 C2 C8A 156.0(4) 2_655 2 ? C5 C2 C8A 38.6(3) 2 2 ? C6 C2 C8A 24.4(2) 2 2 ? C8B C2 C8A 43.9(2) 2 2 ? S6A C2 C8A 43.9(2) 2 2 ? C3 C2 C8A 76.0(4) . 2 ? C4 C2 C8A 83.4(4) . 2 ? S6B C2 C8A 0.0(4) 2 2 ? C4 C3 S5A 116.6(11) . . ? C4 C3 S1 118.3(11) . . ? S5A C3 S1 125.0(9) . . ? C4 C3 C9 72.5(10) . . ? S5A C3 C9 44.9(6) . . ? S1 C3 C9 167.3(9) . . ? C4 C3 C1 75.3(9) . . ? S5A C3 C1 168.0(9) . . ? S1 C3 C1 43.0(4) . . ? C9 C3 C1 147.0(9) . . ? C4 C3 C7A 35.1(8) . . ? S5A C3 C7A 81.5(6) . . ? S1 C3 C7A 153.3(8) . . ? C9 C3 C7A 38.3(5) . . ? C1 C3 C7A 110.4(6) . . ? C4 C3 S2 35.9(7) . . ? S5A C3 S2 152.5(8) . . ? S1 C3 S2 82.5(5) . . ? C9 C3 S2 108.1(7) . . ? C1 C3 S2 39.4(4) . . ? C7A C3 S2 71.0(4) . . ? C4 C3 O4 169.7(11) . 1_554 ? S5A C3 O4 60.8(5) . 1_554 ? S1 C3 O4 64.9(5) . 1_554 ? C9 C3 O4 105.7(7) . 1_554 ? C1 C3 O4 107.3(6) . 1_554 ? C7A C3 O4 140.4(6) . 1_554 ? S2 C3 O4 145.8(6) . 1_554 ? C4 C3 S6B 102.5(10) . 2_655 ? S5A C3 S6B 84.5(5) . 2_655 ? S1 C3 S6B 83.1(5) . 2_655 ? C9 C3 S6B 101.6(7) . 2_655 ? C1 C3 S6B 92.1(5) . 2_655 ? C7A C3 S6B 98.8(5) . 2_655 ? S2 C3 S6B 99.8(4) . 2_655 ? O4 C3 S6B 67.7(5) 1_554 2_655 ? C4 C3 C8A 102.5(10) . 2_655 ? S5A C3 C8A 84.5(5) . 2_655 ? S1 C3 C8A 83.1(5) . 2_655 ? C9 C3 C8A 101.6(7) . 2_655 ? C1 C3 C8A 92.1(5) . 2_655 ? C7A C3 C8A 98.8(5) . 2_655 ? S2 C3 C8A 99.8(4) . 2_655 ? O4 C3 C8A 67.7(5) 1_554 2_655 ? S6B C3 C8A 0.0(4) 2_655 2_655 ? C4 C3 C10 81.6(9) . 2_655 ? S5A C3 C10 80.1(6) . 2_655 ? S1 C3 C10 106.6(6) . 2_655 ? C9 C3 C10 80.6(6) . 2_655 ? C1 C3 C10 101.7(6) . 2_655 ? C7A C3 C10 72.7(5) . 2_655 ? S2 C3 C10 91.9(5) . 2_655 ? O4 C3 C10 88.1(5) 1_554 2_655 ? S6B C3 C10 26.0(3) 2_655 2_655 ? C8A C3 C10 26.0(3) 2_655 2_655 ? C4 C3 C6 90.4(9) . 2_655 ? S5A C3 C6 109.8(6) . 2_655 ? S1 C3 C6 69.2(5) . 2_655 ? C9 C3 C6 119.3(7) . 2_655 ? C1 C3 C6 67.3(5) . 2_655 ? C7A C3 C6 101.6(5) . 2_655 ? S2 C3 C6 77.1(4) . 2_655 ? O4 C3 C6 81.7(5) 1_554 2_655 ? S6B C3 C6 25.3(3) 2_655 2_655 ? C8A C3 C6 25.3(3) 2_655 2_655 ? C10 C3 C6 38.9(3) 2_655 2_655 ? C4 C3 C2 80.1(9) . . ? S5A C3 C2 163.2(7) . . ? S1 C3 C2 38.2(4) . . ? C9 C3 C2 151.6(8) . . ? C1 C3 C2 4.9(4) . . ? C7A C3 C2 115.2(5) . . ? S2 C3 C2 44.3(3) . . ? O4 C3 C2 102.6(5) 1_554 . ? S6B C3 C2 91.6(4) 2_655 . ? C8A C3 C2 91.6(4) 2_655 . ? C10 C3 C2 103.3(4) 2_655 . ? C6 C3 C2 67.5(4) 2_655 . ? C3 C4 C7A 118.0(12) . . ? C3 C4 S2 117.7(11) . . ? C7A C4 S2 124.2(10) . . ? C3 C4 C9 76.7(10) . . ? C7A C4 C9 42.6(7) . . ? S2 C4 C9 163.8(10) . . ? C3 C4 C1 74.8(9) . . ? C7A C4 C1 166.7(10) . . ? S2 C4 C1 42.9(5) . . ? C9 C4 C1 150.7(9) . . ? C3 C4 S5A 36.5(7) . . ? C7A C4 S5A 81.6(6) . . ? S2 C4 S5A 154.2(9) . . ? C9 C4 S5A 40.8(6) . . ? C1 C4 S5A 111.3(7) . . ? C3 C4 S1 35.7(7) . . ? C7A C4 S1 153.6(9) . . ? S2 C4 S1 82.1(6) . . ? C9 C4 S1 112.1(8) . . ? C1 C4 S1 39.2(4) . . ? S5A C4 S1 72.2(4) . . ? C3 C4 O2 114.2(10) . 2_565 ? C7A C4 O2 81.2(7) . 2_565 ? S2 C4 O2 79.3(6) . 2_565 ? C9 C4 O2 88.2(7) . 2_565 ? C1 C4 O2 97.0(6) . 2_565 ? S5A C4 O2 109.3(5) . 2_565 ? S1 C4 O2 110.0(6) . 2_565 ? C3 C4 C8B 102.1(9) . 2_655 ? C7A C4 C8B 80.4(7) . 2_655 ? S2 C4 C8B 85.6(6) . 2_655 ? C9 C4 C8B 98.9(7) . 2_655 ? C1 C4 C8B 93.9(5) . 2_655 ? S5A C4 C8B 98.6(5) . 2_655 ? S1 C4 C8B 100.3(4) . 2_655 ? O2 C4 C8B 143.6(6) 2_565 2_655 ? C3 C4 S6A 102.1(9) . 2_655 ? C7A C4 S6A 80.4(7) . 2_655 ? S2 C4 S6A 85.6(6) . 2_655 ? C9 C4 S6A 98.9(7) . 2_655 ? C1 C4 S6A 93.9(5) . 2_655 ? S5A C4 S6A 98.6(5) . 2_655 ? S1 C4 S6A 100.3(4) . 2_655 ? O2 C4 S6A 143.6(6) 2_565 2_655 ? C8B C4 S6A 0.0(2) 2_655 2_655 ? C3 C4 C10 77.9(9) . 2_655 ? C7A C4 C10 80.2(7) . 2_655 ? S2 C4 C10 108.8(7) . 2_655 ? C9 C4 C10 80.3(7) . 2_655 ? C1 C4 C10 100.4(6) . 2_655 ? S5A C4 C10 71.0(4) . 2_655 ? S1 C4 C10 88.4(5) . 2_655 ? O2 C4 C10 161.1(6) 2_565 2_655 ? C8B C4 C10 27.8(3) 2_655 2_655 ? S6A C4 C10 27.8(3) 2_655 2_655 ? C3 C4 C5 90.0(9) . 2_655 ? C7A C4 C5 107.1(8) . 2_655 ? S2 C4 C5 70.2(5) . 2_655 ? C9 C4 C5 119.5(7) . 2_655 ? C1 C4 C5 67.7(5) . 2_655 ? S5A C4 C5 102.9(5) . 2_655 ? S1 C4 C5 76.7(4) . 2_655 ? O2 C4 C5 147.6(5) 2_565 2_655 ? C8B C4 C5 26.7(2) 2_655 2_655 ? S6A C4 C5 26.7(2) 2_655 2_655 ? C10 C4 C5 39.3(3) 2_655 2_655 ? C3 C4 C2 80.5(9) . . ? C7A C4 C2 161.3(8) . . ? S2 C4 C2 37.3(4) . . ? C9 C4 C2 155.9(8) . . ? C1 C4 C2 5.7(4) . . ? S5A C4 C2 117.0(5) . . ? S1 C4 C2 44.8(3) . . ? O2 C4 C2 94.2(5) 2_565 . ? C8B C4 C2 93.4(4) 2_655 . ? S6A C4 C2 93.4(4) 2_655 . ? C10 C4 C2 102.5(5) 2_655 . ? C5 C4 C2 67.8(4) 2_655 . ? C6 C5 S6A 118.0(11) . . ? C6 C5 S3 117.6(10) . . ? S6A C5 S3 124.4(8) . . ? C6 C5 C10 72.9(9) . . ? S6A C5 C10 45.4(5) . . ? S3 C5 C10 168.9(8) . . ? C6 C5 C8A 34.8(7) . . ? S6A C5 C8A 83.2(6) . . ? S3 C5 C8A 152.4(7) . . ? C10 C5 C8A 38.2(5) . . ? C6 C5 C2 74.5(9) . . ? S6A C5 C2 167.3(8) . . ? S3 C5 C2 43.1(4) . . ? C10 C5 C2 147.3(8) . . ? C8A C5 C2 109.3(6) . . ? C6 C5 S4 35.4(7) . . ? S6A C5 S4 153.4(7) . . ? S3 C5 S4 82.2(5) . . ? C10 C5 S4 108.2(6) . . ? C8A C5 S4 70.2(4) . . ? C2 C5 S4 39.2(4) . . ? C6 C5 O2 167.8(10) . 2 ? S6A C5 O2 65.6(5) . 2 ? S3 C5 O2 59.9(5) . 2 ? C10 C5 O2 110.7(6) . 2 ? C8A C5 O2 146.4(6) . 2 ? C2 C5 O2 101.7(6) . 2 ? S4 C5 O2 139.8(5) . 2 ? C6 C5 S2 102.4(9) . 2_655 ? S6A C5 S2 90.7(5) . 2_655 ? S3 C5 S2 78.5(5) . 2_655 ? C10 C5 S2 96.2(6) . 2_655 ? C8A C5 S2 104.2(5) . 2_655 ? C2 C5 S2 88.2(5) . 2_655 ? S4 C5 S2 96.6(4) . 2_655 ? O2 C5 S2 89.0(4) 2 2_655 ? C6 C5 C1 78.5(9) . 2_655 ? S6A C5 C1 114.8(6) . 2_655 ? S3 C5 C1 77.1(5) . 2_655 ? C10 C5 C1 102.8(6) . 2_655 ? C8A C5 C1 92.5(5) . 2_655 ? C2 C5 C1 67.9(5) . 2_655 ? S4 C5 C1 68.8(4) . 2_655 ? O2 C5 C1 111.2(5) 2 2_655 ? S2 C5 C1 27.9(2) 2_655 2_655 ? C6 C5 S4 103.8(9) . 2 ? S6A C5 S4 81.3(5) . 2 ? S3 C5 S4 85.1(5) . 2 ? C10 C5 S4 96.1(5) . 2 ? C8A C5 S4 100.1(5) . 2 ? C2 C5 S4 94.1(5) . 2 ? S4 C5 S4 101.8(4) . 2 ? O2 C5 S4 64.5(4) 2 2 ? S2 C5 S4 153.3(4) 2_655 2 ? C1 C5 S4 160.7(4) 2_655 2 ? C6 C5 C4 89.7(9) . 2_655 ? S6A C5 C4 75.4(5) . 2_655 ? S3 C5 C4 105.8(6) . 2_655 ? C10 C5 C4 69.3(5) . 2_655 ? C8A C5 C4 80.0(5) . 2_655 ? C2 C5 C4 108.1(6) . 2_655 ? S4 C5 C4 100.3(5) . 2_655 ? O2 C5 C4 102.5(5) 2 2_655 ? S2 C5 C4 27.2(3) 2_655 2_655 ? C1 C5 C4 40.3(3) 2_655 2_655 ? S4 C5 C4 156.5(5) 2 2_655 ? C6 C5 C2 81.1(9) . 2 ? S6A C5 C2 79.6(5) . 2 ? S3 C5 C2 108.2(6) . 2 ? C10 C5 C2 75.9(6) . 2 ? C8A C5 C2 73.3(4) . 2 ? C2 C5 C2 101.6(5) . 2 ? S4 C5 C2 91.4(4) . 2 ? O2 C5 C2 88.4(5) 2 2 ? S2 C5 C2 170.2(5) 2_655 2 ? C1 C5 C2 159.0(5) 2_655 2 ? S4 C5 C2 26.8(2) 2 2 ? C4 C5 C2 145.2(5) 2_655 2 ? C6 C5 C1 80.0(8) . . ? S6A C5 C1 161.8(7) . . ? S3 C5 C1 37.7(4) . . ? C10 C5 C1 152.8(6) . . ? C8A C5 C1 114.7(5) . . ? C2 C5 C1 5.5(4) . . ? S4 C5 C1 44.6(3) . . ? O2 C5 C1 96.2(4) 2 . ? S2 C5 C1 87.8(4) 2_655 . ? C1 C5 C1 69.4(4) 2_655 . ? S4 C5 C1 92.0(4) 2 . ? C4 C5 C1 109.4(5) 2_655 . ? C2 C5 C1 101.9(4) 2 . ? C6 C5 C6 91.2(9) . 2 ? S6A C5 C6 107.4(6) . 2 ? S3 C5 C6 70.6(5) . 2 ? C10 C5 C6 114.4(6) . 2 ? C8A C5 C6 102.7(5) . 2 ? C2 C5 C6 68.6(5) . 2 ? S4 C5 C6 78.5(4) . 2 ? O2 C5 C6 76.7(4) 2 2 ? S2 C5 C6 149.1(4) 2_655 2 ? C1 C5 C6 136.5(5) 2_655 2 ? S4 C5 C6 26.1(2) 2 2 ? C4 C5 C6 176.3(5) 2_655 2 ? C2 C5 C6 38.5(3) 2 2 ? C1 C5 C6 67.2(4) . 2 ? C5 C6 C8A 117.3(11) . . ? C5 C6 S4 118.0(10) . . ? C8A C6 S4 124.7(9) . . ? C5 C6 C10 76.0(9) . . ? C8A C6 C10 41.5(6) . . ? S4 C6 C10 165.6(9) . . ? C5 C6 C2 74.9(8) . . ? C8A C6 C2 167.8(9) . . ? S4 C6 C2 43.2(4) . . ? C10 C6 C2 150.8(8) . . ? C5 C6 S3 35.7(7) . . ? C8A C6 S3 153.0(8) . . ? S4 C6 S3 82.4(5) . . ? C10 C6 S3 111.6(6) . . ? C2 C6 S3 39.2(4) . . ? C5 C6 S6A 35.4(7) . . ? C8A C6 S6A 81.9(6) . . ? S4 C6 S6A 153.4(7) . . ? C10 C6 S6A 40.8(4) . . ? C2 C6 S6A 110.3(6) . . ? S3 C6 S6A 71.1(4) . . ? C5 C6 O3 173.9(10) . . ? C8A C6 O3 65.9(6) . . ? S4 C6 O3 58.9(5) . . ? C10 C6 O3 107.4(6) . . ? C2 C6 O3 101.8(6) . . ? S3 C6 O3 140.9(6) . . ? S6A C6 O3 147.3(6) . . ? C5 C6 S1 104.0(9) . 2_655 ? C8A C6 S1 89.2(7) . 2_655 ? S4 C6 S1 78.9(5) . 2_655 ? C10 C6 S1 95.3(6) . 2_655 ? C2 C6 S1 89.2(5) . 2_655 ? S3 C6 S1 97.9(4) . 2_655 ? S6A C6 S1 105.3(5) . 2_655 ? O3 C6 S1 81.0(4) . 2_655 ? C5 C6 C1 80.4(9) . 2_655 ? C8A C6 C1 113.7(8) . 2_655 ? S4 C6 C1 76.8(6) . 2_655 ? C10 C6 C1 104.2(6) . 2_655 ? C2 C6 C1 68.3(5) . 2_655 ? S3 C6 C1 69.8(4) . 2_655 ? S6A C6 C1 94.5(5) . 2_655 ? O3 C6 C1 103.4(5) . 2_655 ? S1 C6 C1 28.1(2) 2_655 2_655 ? C5 C6 S3 101.3(9) . 2 ? C8A C6 S3 82.8(7) . 2 ? S4 C6 S3 85.8(5) . 2 ? C10 C6 S3 94.6(6) . 2 ? C2 C6 S3 93.5(5) . 2 ? S3 C6 S3 100.2(4) . 2 ? S6A C6 S3 97.6(5) . 2 ? O3 C6 S3 73.6(4) . 2 ? S1 C6 S3 154.4(4) 2_655 2 ? C1 C6 S3 160.9(5) 2_655 2 ? C5 C6 C3 90.0(9) . 2_655 ? C8A C6 C3 74.4(6) . 2_655 ? S4 C6 C3 106.5(7) . 2_655 ? C10 C6 C3 68.7(6) . 2_655 ? C2 C6 C3 108.6(6) . 2_655 ? S3 C6 C3 100.4(5) . 2_655 ? S6A C6 C3 80.1(4) . 2_655 ? O3 C6 C3 96.0(5) . 2_655 ? S1 C6 C3 27.6(2) 2_655 2_655 ? C1 C6 C3 40.3(3) 2_655 2_655 ? S3 C6 C3 157.2(5) 2 2_655 ? C5 C6 C2 78.5(9) . 2 ? C8A C6 C2 81.0(7) . 2 ? S4 C6 C2 108.8(6) . 2 ? C10 C6 C2 75.7(6) . 2 ? C2 C6 C2 100.9(6) . 2 ? S3 C6 C2 89.8(5) . 2 ? S6A C6 C2 70.9(4) . 2 ? O3 C6 C2 97.2(5) . 2 ? S1 C6 C2 169.9(5) 2_655 2 ? C1 C6 C2 158.2(5) 2_655 2 ? S3 C6 C2 26.7(2) 2 2 ? C3 C6 C2 144.3(5) 2_655 2 ? C5 C6 C1 80.2(8) . . ? C8A C6 C1 162.3(8) . . ? S4 C6 C1 37.8(4) . . ? C10 C6 C1 156.2(7) . . ? C2 C6 C1 5.4(4) . . ? S3 C6 C1 44.6(3) . . ? S6A C6 C1 115.6(5) . . ? O3 C6 C1 96.4(5) . . ? S1 C6 C1 88.7(4) 2_655 . ? C1 C6 C1 69.7(4) 2_655 . ? S3 C6 C1 91.7(4) 2 . ? C3 C6 C1 109.9(5) 2_655 . ? C2 C6 C1 101.4(4) 2 . ? C5 C6 C5 88.8(9) . 2 ? C8A C6 C5 109.0(7) . 2 ? S4 C6 C5 71.3(5) . 2 ? C10 C6 C5 114.1(7) . 2 ? C2 C6 C5 67.9(5) . 2 ? S3 C6 C5 76.8(4) . 2 ? S6A C6 C5 100.7(5) . 2 ? O3 C6 C5 85.1(4) . 2 ? S1 C6 C5 150.2(5) 2_655 2 ? C1 C6 C5 136.2(5) 2_655 2 ? S3 C6 C5 26.2(2) 2 2 ? C3 C6 C5 176.5(5) 2_655 2 ? C2 C6 C5 38.4(3) 2 2 ? C1 C6 C5 66.7(4) . 2 ? C7A C9 S5A 114.2(10) . . ? C7A C9 C4 43.0(6) . . ? S5A C9 C4 74.2(7) . . ? C7A C9 C3 73.1(7) . . ? S5A C9 C3 43.8(5) . . ? C4 C9 C3 30.8(5) . . ? C7A C9 O1 129.4(12) . 1_564 ? S5A C9 O1 113.6(9) . 1_564 ? C4 C9 O1 147.7(10) . 1_564 ? C3 C9 O1 141.4(9) . 1_564 ? C7A C9 O3 73.9(8) . 2_665 ? S5A C9 O3 132.7(10) . 2_665 ? C4 C9 O3 112.4(8) . 2_665 ? C3 C9 O3 132.7(8) . 2_665 ? O1 C9 O3 85.9(6) 1_564 2_665 ? C7A C9 O1 79.6(9) . 2_565 ? S5A C9 O1 133.7(9) . 2_565 ? C4 C9 O1 95.8(8) . 2_565 ? C3 C9 O1 112.9(7) . 2_565 ? O1 C9 O1 55.4(5) 1_564 2_565 ? O3 C9 O1 93.3(6) 2_665 2_565 ? C7A C9 S6B 157.9(10) . 1_564 ? S5A C9 S6B 66.0(6) . 1_564 ? C4 C9 S6B 139.4(9) . 1_564 ? C3 C9 S6B 109.7(8) . 1_564 ? O1 C9 S6B 62.3(4) 1_564 1_564 ? O3 C9 S6B 89.9(5) 2_665 1_564 ? O1 C9 S6B 117.1(5) 2_565 1_564 ? C7A C9 C8A 157.9(10) . 1_564 ? S5A C9 C8A 66.0(6) . 1_564 ? C4 C9 C8A 139.4(9) . 1_564 ? C3 C9 C8A 109.7(8) . 1_564 ? O1 C9 C8A 62.3(4) 1_564 1_564 ? O3 C9 C8A 89.9(5) 2_665 1_564 ? O1 C9 C8A 117.1(5) 2_565 1_564 ? S6B C9 C8A 0.0(4) 1_564 1_564 ? C7A C9 O4 99.7(9) . 2_565 ? S5A C9 O4 88.4(7) . 2_565 ? C4 C9 O4 83.6(7) . 2_565 ? C3 C9 O4 80.7(6) . 2_565 ? O1 C9 O4 66.0(5) 1_564 2_565 ? O3 C9 O4 138.0(7) 2_665 2_565 ? O1 C9 O4 45.3(4) 2_565 2_565 ? S6B C9 O4 102.4(5) 1_564 2_565 ? C8A C9 O4 102.4(5) 1_564 2_565 ? C7A C9 H9A 108.7 . . ? S5A C9 H9A 108.7 . . ? C4 C9 H9A 139.6 . . ? C3 C9 H9A 139.2 . . ? O1 C9 H9A 69.9 1_564 . ? O3 C9 H9A 35.8 2_665 . ? O1 C9 H9A 107.4 2_565 . ? S6B C9 H9A 54.2 1_564 . ? C8A C9 H9A 54.2 1_564 . ? O4 C9 H9A 135.9 2_565 . ? C7A C9 H9B 108.7 . . ? S5A C9 H9B 108.7 . . ? C4 C9 H9B 109.3 . . ? C3 C9 H9B 110.1 . . ? O1 C9 H9B 38.6 1_564 . ? O3 C9 H9B 112.1 2_665 . ? O1 C9 H9B 31.4 2_565 . ? S6B C9 H9B 91.2 1_564 . ? C8A C9 H9B 91.2 1_564 . ? O4 C9 H9B 29.4 2_565 . ? H9A C9 H9B 107.6 . . ? C8A C10 S6A 114.6(9) . . ? C8A C10 C6 40.7(5) . . ? S6A C10 C6 74.5(6) . . ? C8A C10 C5 71.7(7) . . ? S6A C10 C5 43.5(5) . . ? C6 C10 C5 31.1(5) . . ? C8A C10 O2 165.5(10) . 1_545 ? S6A C10 O2 73.2(6) . 1_545 ? C6 C10 O2 147.2(7) . 1_545 ? C5 C10 O2 116.7(7) . 1_545 ? C8A C10 C7B 75.0(6) . 1_546 ? S6A C10 C7B 167.3(8) . 1_546 ? C6 C10 C7B 115.7(7) . 1_546 ? C5 C10 C7B 146.7(7) . 1_546 ? O2 C10 C7B 95.7(5) 1_545 1_546 ? C8A C10 S5A 75.0(6) . 1_546 ? S6A C10 S5A 167.3(8) . 1_546 ? C6 C10 S5A 115.7(7) . 1_546 ? C5 C10 S5A 146.7(7) . 1_546 ? O2 C10 S5A 95.7(5) 1_545 1_546 ? C7B C10 S5A 0.0(3) 1_546 1_546 ? C8A C10 O4 124.0(8) . 1_545 ? S6A C10 O4 121.4(7) . 1_545 ? C6 C10 O4 163.1(8) . 1_545 ? C5 C10 O4 163.2(8) . 1_545 ? O2 C10 O4 49.6(4) 1_545 1_545 ? C7B C10 O4 49.6(3) 1_546 1_545 ? S5A C10 O4 49.6(3) 1_546 1_545 ? C8A C10 C1 86.0(7) . 2 ? S6A C10 C1 81.9(6) . 2 ? C6 C10 C1 87.0(6) . 2 ? C5 C10 C1 85.7(6) . 2 ? O2 C10 C1 83.0(5) 1_545 2 ? C7B C10 C1 90.8(5) 1_546 2 ? S5A C10 C1 90.8(5) 1_546 2 ? O4 C10 C1 100.4(6) 1_545 2 ? C8A C10 C3 77.0(7) . 2_655 ? S6A C10 C3 94.3(7) . 2_655 ? C6 C10 C3 72.4(6) . 2_655 ? C5 C10 C3 77.8(5) . 2_655 ? O2 C10 C3 115.6(6) 1_545 2_655 ? C7B C10 C3 96.2(5) 1_546 2_655 ? S5A C10 C3 96.2(5) 1_546 2_655 ? O4 C10 C3 99.0(6) 1_545 2_655 ? C1 C10 C3 159.2(5) 2 2_655 ? C8A C10 C4 93.5(8) . 2_655 ? S6A C10 C4 76.3(6) . 2_655 ? C6 C10 C4 77.3(6) . 2_655 ? C5 C10 C4 71.4(5) . 2_655 ? O2 C10 C4 100.4(6) 1_545 2_655 ? C7B C10 C4 112.4(5) 1_546 2_655 ? S5A C10 C4 112.4(5) 1_546 2_655 ? O4 C10 C4 99.8(6) 1_545 2_655 ? C1 C10 C4 155.9(5) 2 2_655 ? C3 C10 C4 20.5(3) 2_655 2_655 ? C8A C10 C7B 81.9(7) . 2_655 ? S6A C10 C7B 116.6(7) . 2_655 ? C6 C10 C7B 93.4(6) . 2_655 ? C5 C10 C7B 104.3(6) . 2_655 ? O2 C10 C7B 106.1(5) 1_545 2_655 ? C7B C10 C7B 71.9(3) 1_546 2_655 ? S5A C10 C7B 71.9(3) 1_546 2_655 ? O4 C10 C7B 74.7(5) 1_545 2_655 ? C1 C10 C7B 160.9(6) 2 2_655 ? C3 C10 C7B 26.8(3) 2_655 2_655 ? C4 C10 C7B 40.6(3) 2_655 2_655 ? C8A C10 S5A 81.9(7) . 2_655 ? S6A C10 S5A 116.6(7) . 2_655 ? C6 C10 S5A 93.4(6) . 2_655 ? C5 C10 S5A 104.3(6) . 2_655 ? O2 C10 S5A 106.1(5) 1_545 2_655 ? C7B C10 S5A 71.9(3) 1_546 2_655 ? S5A C10 S5A 71.9(3) 1_546 2_655 ? O4 C10 S5A 74.7(5) 1_545 2_655 ? C1 C10 S5A 160.9(6) 2 2_655 ? C3 C10 S5A 26.8(3) 2_655 2_655 ? C4 C10 S5A 40.6(3) 2_655 2_655 ? C7B C10 S5A 0.0(3) 2_655 2_655 ? C8A C10 C7A 117.1(8) . 2_655 ? S6A C10 C7A 76.9(6) . 2_655 ? C6 C10 C7A 102.2(6) . 2_655 ? C5 C10 C7A 89.6(6) . 2_655 ? O2 C10 C7A 75.9(5) 1_545 2_655 ? C7B C10 C7A 106.9(4) 1_546 2_655 ? S5A C10 C7A 106.9(4) 1_546 2_655 ? O4 C10 C7A 77.9(5) 1_545 2_655 ? C1 C10 C7A 153.5(6) 2 2_655 ? C3 C10 C7A 40.2(3) 2_655 2_655 ? C4 C10 C7A 25.7(3) 2_655 2_655 ? C7B C10 C7A 44.6(3) 2_655 2_655 ? S5A C10 C7A 44.6(3) 2_655 2_655 ? C8A C10 S5B 117.1(8) . 2_655 ? S6A C10 S5B 76.9(6) . 2_655 ? C6 C10 S5B 102.2(6) . 2_655 ? C5 C10 S5B 89.6(6) . 2_655 ? O2 C10 S5B 75.9(5) 1_545 2_655 ? C7B C10 S5B 106.9(4) 1_546 2_655 ? S5A C10 S5B 106.9(4) 1_546 2_655 ? O4 C10 S5B 77.9(5) 1_545 2_655 ? C1 C10 S5B 153.5(6) 2 2_655 ? C3 C10 S5B 40.2(3) 2_655 2_655 ? C4 C10 S5B 25.7(3) 2_655 2_655 ? C7B C10 S5B 44.6(3) 2_655 2_655 ? S5A C10 S5B 44.6(3) 2_655 2_655 ? C7A C10 S5B 0.0(4) 2_655 2_655 ? C8A C10 Re 150.3(8) . 1_545 ? S6A C10 Re 95.0(6) . 1_545 ? C6 C10 Re 167.1(7) . 1_545 ? C5 C10 Re 137.5(7) . 1_545 ? O2 C10 Re 25.7(3) 1_545 1_545 ? C7B C10 Re 75.8(3) 1_546 1_545 ? S5A C10 Re 75.8(3) 1_546 1_545 ? O4 C10 Re 26.4(2) 1_545 1_545 ? C1 C10 Re 99.3(4) 2 1_545 ? C3 C10 Re 101.4(4) 2_655 1_545 ? C4 C10 Re 93.0(4) 2_655 1_545 ? C7B C10 Re 84.4(3) 2_655 1_545 ? S5A C10 Re 84.4(3) 2_655 1_545 ? C7A C10 Re 67.4(3) 2_655 1_545 ? S5B C10 Re 67.4(3) 2_655 1_545 ? C8A C10 H10A 108.6 . . ? S6A C10 H10A 108.6 . . ? C6 C10 H10A 131.2 . . ? C5 C10 H10A 131.9 . . ? O2 C10 H10A 56.9 1_545 . ? C7B C10 H10A 59.2 1_546 . ? S5A C10 H10A 59.2 1_546 . ? O4 C10 H10A 53.1 1_545 . ? C1 C10 H10A 47.5 2 . ? C3 C10 H10A 150.3 2_655 . ? C4 C10 H10A 151.5 2_655 . ? C7B C10 H10A 123.6 2_655 . ? S5A C10 H10A 123.6 2_655 . ? C7A C10 H10A 126.3 2_655 . ? S5B C10 H10A 126.3 2_655 . ? Re C10 H10A 59.0 1_545 . ? C8A C10 H10B 108.6 . . ? S6A C10 H10B 108.6 . . ? C6 C10 H10B 117.6 . . ? C5 C10 H10B 117.9 . . ? O2 C10 H10B 78.7 1_545 . ? C7B C10 H10B 74.3 1_546 . ? S5A C10 H10B 74.3 1_546 . ? O4 C10 H10B 54.5 1_545 . ? C1 C10 H10B 154.9 2 . ? C3 C10 H10B 45.3 2_655 . ? C4 C10 H10B 46.5 2_655 . ? C7B C10 H10B 27.4 2_655 . ? S5A C10 H10B 27.4 2_655 . ? C7A C10 H10B 32.6 2_655 . ? S5B C10 H10B 32.6 2_655 . ? Re C10 H10B 57.9 1_545 . ? H10A C10 H10B 107.6 . . ? C3 S5A C9 91.4(8) . . ? C3 S5A C4 26.9(6) . . ? C9 S5A C4 65.1(7) . . ? C3 S5A C7A 62.0(5) . . ? C9 S5A C7A 31.8(6) . . ? C4 S5A C7A 35.1(4) . . ? C3 S5A O4 87.9(6) . 1_554 ? C9 S5A O4 179.3(7) . 1_554 ? C4 S5A O4 114.2(5) . 1_554 ? C7A S5A O4 147.5(4) . 1_554 ? C3 S5A S1 27.7(5) . . ? C9 S5A S1 118.6(6) . . ? C4 S5A S1 54.5(4) . . ? C7A S5A S1 89.6(2) . . ? O4 S5A S1 60.7(3) 1_554 . ? C3 S5A C8A 175.9(6) . 1_564 ? C9 S5A C8A 85.5(6) . 1_564 ? C4 S5A C8A 149.5(4) . 1_564 ? C7A S5A C8A 114.4(3) . 1_564 ? O4 S5A C8A 95.2(4) 1_554 1_564 ? S1 S5A C8A 155.8(3) . 1_564 ? C3 S5A C10 155.2(6) . 1_564 ? C9 S5A C10 113.4(6) . 1_564 ? C4 S5A C10 176.0(5) . 1_564 ? C7A S5A C10 142.4(4) . 1_564 ? O4 S5A C10 67.3(4) 1_554 1_564 ? S1 S5A C10 127.6(3) . 1_564 ? C8A S5A C10 28.2(3) 1_564 1_564 ? C3 S5A C10 73.1(5) . 2_655 ? C9 S5A C10 87.1(7) . 2_655 ? C4 S5A C10 68.3(4) . 2_655 ? C7A S5A C10 68.1(3) . 2_655 ? O4 S5A C10 92.6(5) 1_554 2_655 ? S1 S5A C10 81.1(3) . 2_655 ? C8A S5A C10 104.2(3) 1_564 2_655 ? C10 S5A C10 108.1(3) 1_564 2_655 ? C3 S5A C8A 69.3(5) . 2_655 ? C9 S5A C8A 111.5(7) . 2_655 ? C4 S5A C8A 76.6(4) . 2_655 ? C7A S5A C8A 88.5(3) . 2_655 ? O4 S5A C8A 68.2(4) 1_554 2_655 ? S1 S5A C8A 66.01(19) . 2_655 ? C8A S5A C8A 109.5(2) 1_564 2_655 ? C10 S5A C8A 101.0(3) 1_564 2_655 ? C10 S5A C8A 24.8(3) 2_655 2_655 ? C9 C7A C4 94.4(10) . . ? C9 C7A C3 68.6(8) . . ? C4 C7A C3 26.8(6) . . ? C9 C7A S5A 34.0(7) . . ? C4 C7A S5A 63.3(6) . . ? C3 C7A S5A 36.5(3) . . ? C9 C7A S2 122.1(8) . . ? C4 C7A S2 28.5(6) . . ? C3 C7A S2 55.3(4) . . ? S5A C7A S2 91.7(3) . . ? C9 C7A O3 76.9(8) . 2_665 ? C4 C7A O3 152.1(7) . 2_665 ? C3 C7A O3 131.7(6) . 2_665 ? S5A C7A O3 99.4(4) . 2_665 ? S2 C7A O3 153.7(4) . 2_665 ? C9 C7A O2 98.0(8) . 2_565 ? C4 C7A O2 71.2(6) . 2_565 ? C3 C7A O2 83.0(5) . 2_565 ? S5A C7A O2 99.3(4) . 2_565 ? S2 C7A O2 64.3(3) . 2_565 ? O3 C7A O2 135.8(5) 2_665 2_565 ? C9 C7A O1 73.7(8) . 2_565 ? C4 C7A O1 110.8(7) . 2_565 ? C3 C7A O1 108.4(5) . 2_565 ? S5A C7A O1 97.8(4) . 2_565 ? S2 C7A O1 109.7(3) . 2_565 ? O3 C7A O1 92.4(4) 2_665 2_565 ? O2 C7A O1 45.4(3) 2_565 2_565 ? C9 C7A S2 172.8(8) . 2_665 ? C4 C7A S2 92.7(6) . 2_665 ? C3 C7A S2 118.2(4) . 2_665 ? S5A C7A S2 151.7(3) . 2_665 ? S2 C7A S2 65.1(2) . 2_665 ? O3 C7A S2 96.2(4) 2_665 2_665 ? O2 C7A S2 85.6(3) 2_565 2_665 ? O1 C7A S2 105.0(3) 2_565 2_665 ? C9 C7A S4 121.6(8) . 2_665 ? C4 C7A S4 143.5(7) . 2_665 ? C3 C7A S4 163.8(4) . 2_665 ? S5A C7A S4 148.0(3) . 2_665 ? S2 C7A S4 116.3(3) . 2_665 ? O3 C7A S4 48.7(3) 2_665 2_665 ? O2 C7A S4 106.5(3) 2_565 2_665 ? O1 C7A S4 87.3(3) 2_565 2_665 ? S2 C7A S4 51.24(15) 2_665 2_665 ? C9 C7A C10 87.7(8) . 2_655 ? C4 C7A C10 74.1(6) . 2_655 ? C3 C7A C10 67.1(4) . 2_655 ? S5A C7A C10 67.2(3) . 2_655 ? S2 C7A C10 83.5(3) . 2_655 ? O3 C7A C10 79.0(4) 2_665 2_655 ? O2 C7A C10 145.2(4) 2_565 2_655 ? O1 C7A C10 160.9(4) 2_565 2_655 ? S2 C7A C10 93.0(3) 2_665 2_655 ? S4 C7A C10 99.4(3) 2_665 2_655 ? C9 C7A S6A 114.8(8) . 2_655 ? C4 C7A S6A 74.0(6) . 2_655 ? C3 C7A S6A 79.6(4) . 2_655 ? S5A C7A S6A 91.7(3) . 2_655 ? S2 C7A S6A 70.2(2) . 2_655 ? O3 C7A S6A 85.6(4) 2_665 2_655 ? O2 C7A S6A 133.4(3) 2_565 2_655 ? O1 C7A S6A 170.5(4) 2_565 2_655 ? S2 C7A S6A 66.03(18) 2_665 2_655 ? S4 C7A S6A 84.4(2) 2_665 2_655 ? C10 C7A S6A 27.1(3) 2_655 2_655 ? C9 C7A H7A1 112.9 . . ? C4 C7A H7A1 112.8 . . ? C3 C7A H7A1 129.0 . . ? S5A C7A H7A1 135.8 . . ? S2 C7A H7A1 93.5 . . ? O3 C7A H7A1 94.9 2_665 . ? O2 C7A H7A1 46.0 2_565 . ? O1 C7A H7A1 39.7 2_565 . ? S2 C7A H7A1 65.3 2_665 . ? S4 C7A H7A1 61.5 2_665 . ? C10 C7A H7A1 156.9 2_655 . ? S6A C7A H7A1 131.1 2_655 . ? C9 C7A H7A2 112.8 . . ? C4 C7A H7A2 112.9 . . ? C3 C7A H7A2 115.3 . . ? S5A C7A H7A2 111.0 . . ? S2 C7A H7A2 103.4 . . ? O3 C7A H7A2 50.4 2_665 . ? O2 C7A H7A2 148.0 2_565 . ? O1 C7A H7A2 135.0 2_565 . ? S2 C7A H7A2 62.8 2_665 . ? S4 C7A H7A2 50.3 2_665 . ? C10 C7A H7A2 49.1 2_655 . ? S6A C7A H7A2 39.0 2_655 . ? H7A1 C7A H7A2 110.3 . . ? C5 S6A C10 91.1(7) . . ? C5 S6A C6 26.6(5) . . ? C10 S6A C6 64.7(6) . . ? C5 S6A C8A 60.4(5) . . ? C10 S6A C8A 31.3(5) . . ? C6 S6A C8A 33.8(3) . . ? C5 S6A S3 27.8(5) . . ? C10 S6A S3 118.8(5) . . ? C6 S6A S3 54.4(3) . . ? C8A S6A S3 88.3(2) . . ? C5 S6A O2 164.5(6) . 1_545 ? C10 S6A O2 73.6(6) . 1_545 ? C6 S6A O2 137.9(4) . 1_545 ? C8A S6A O2 104.1(4) . 1_545 ? S3 S6A O2 167.6(3) . 1_545 ? C5 S6A O2 84.7(5) . 2 ? C10 S6A O2 172.2(6) . 2 ? C6 S6A O2 110.6(4) . 2 ? C8A S6A O2 143.0(3) . 2 ? S3 S6A O2 57.5(3) . 2 ? O2 S6A O2 110.2(3) 1_545 2 ? C5 S6A S6A 138.8(5) . 2_545 ? C10 S6A S6A 128.9(6) . 2_545 ? C6 S6A S6A 162.2(4) . 2_545 ? C8A S6A S6A 156.2(3) . 2_545 ? S3 S6A S6A 111.9(2) . 2_545 ? O2 S6A S6A 55.8(3) 1_545 2_545 ? O2 S6A S6A 54.3(3) 2 2_545 ? C5 S6A C4 77.9(5) . 2_655 ? C10 S6A C4 75.8(6) . 2_655 ? C6 S6A C4 75.5(4) . 2_655 ? C8A S6A C4 76.7(3) . 2_655 ? S3 S6A C4 83.6(3) . 2_655 ? O2 S6A C4 100.3(4) 1_545 2_655 ? O2 S6A C4 109.6(4) 2 2_655 ? S6A S6A C4 116.8(3) 2_545 2_655 ? C5 S6A S2 116.0(5) . 2 ? C10 S6A S2 83.5(6) . 2 ? C6 S6A S2 107.5(4) . 2 ? C8A S6A S2 92.4(2) . 2 ? S3 S6A S2 118.37(17) . 2 ? O2 S6A S2 60.7(3) 1_545 2 ? O2 S6A S2 92.4(3) 2 2 ? S6A S6A S2 67.21(16) 2_545 2 ? C4 S6A S2 155.5(3) 2_655 2 ? C5 S6A C7A 103.6(5) . 2_655 ? C10 S6A C7A 76.0(6) . 2_655 ? C6 S6A C7A 98.7(4) . 2_655 ? C8A S6A C7A 89.9(3) . 2_655 ? S3 S6A C7A 106.0(2) . 2_655 ? O2 S6A C7A 75.8(3) 1_545 2_655 ? O2 S6A C7A 111.4(3) 2 2_655 ? S6A S6A C7A 96.2(2) 2_545 2_655 ? C4 S6A C7A 25.6(3) 2_655 2_655 ? S2 S6A C7A 135.61(19) 2 2_655 ? C5 S6A C1 92.5(5) . 2 ? C10 S6A C1 70.6(6) . 2 ? C6 S6A C1 81.0(4) . 2 ? C8A S6A C1 69.3(3) . 2 ? S3 S6A C1 103.5(2) . 2 ? O2 S6A C1 80.1(4) 1_545 2 ? O2 S6A C1 102.9(4) 2 2 ? S6A S6A C1 92.8(3) 2_545 2 ? C4 S6A C1 144.9(3) 2_655 2 ? S2 S6A C1 26.5(2) 2 2 ? C7A S6A C1 143.1(3) 2_655 2 ? C5 S6A C2 74.2(5) . 2 ? C10 S6A C2 81.1(6) . 2 ? C6 S6A C2 68.8(4) . 2 ? C8A S6A C2 68.8(3) . 2 ? S3 S6A C2 82.8(3) . 2 ? O2 S6A C2 100.2(4) 1_545 2 ? O2 S6A C2 91.4(4) 2 2 ? S6A S6A C2 100.1(3) 2_545 2 ? C4 S6A C2 143.2(3) 2_655 2 ? S2 S6A C2 41.9(2) 2 2 ? C7A S6A C2 157.0(3) 2_655 2 ? C1 S6A C2 20.7(3) 2 2 ? C5 S6A S4 72.4(5) . 2 ? C10 S6A S4 107.0(6) . 2 ? C6 S6A S4 79.2(3) . 2 ? C8A S6A S4 90.8(2) . 2 ? S3 S6A S4 68.86(14) . 2 ? O2 S6A S4 109.0(3) 1_545 2 ? O2 S6A S4 65.4(3) 2 2 ? S6A S6A S4 85.15(18) 2_545 2 ? C4 S6A S4 150.2(3) 2_655 2 ? S2 S6A S4 49.51(11) 2 2 ? C7A S6A S4 174.78(19) 2_655 2 ? C1 S6A S4 41.5(2) 2 2 ? C2 S6A S4 26.0(2) 2 2 ? C6 C8A C10 97.8(9) . . ? C6 C8A C5 27.9(6) . . ? C10 C8A C5 70.1(7) . . ? C6 C8A S6A 64.3(6) . . ? C10 C8A S6A 34.1(6) . . ? C5 C8A S6A 36.4(3) . . ? C6 C8A S4 28.5(5) . . ? C10 C8A S4 126.2(7) . . ? C5 C8A S4 56.5(3) . . ? S6A C8A S4 92.8(3) . . ? C6 C8A O3 85.5(6) . . ? C10 C8A O3 176.6(7) . . ? C5 C8A O3 113.3(5) . . ? S6A C8A O3 149.2(4) . . ? S4 C8A O3 57.1(3) . . ? C6 C8A S5A 174.3(7) . 1_546 ? C10 C8A S5A 76.8(6) . 1_546 ? C5 C8A S5A 146.8(5) . 1_546 ? S6A C8A S5A 110.5(3) . 1_546 ? S4 C8A S5A 156.6(4) . 1_546 ? O3 C8A S5A 99.9(4) . 1_546 ? C6 C8A O1 110.5(7) . . ? C10 C8A O1 129.5(8) . . ? C5 C8A O1 126.7(5) . . ? S6A C8A O1 134.7(4) . . ? S4 C8A O1 90.4(3) . . ? O3 C8A O1 49.2(4) . . ? S5A C8A O1 74.7(3) 1_546 . ? C6 C8A C3 80.2(7) . 2_655 ? C10 C8A C3 77.0(7) . 2_655 ? C5 C8A C3 77.5(4) . 2_655 ? S6A C8A C3 78.6(3) . 2_655 ? S4 C8A C3 85.9(3) . 2_655 ? O3 C8A C3 103.1(4) . 2_655 ? S5A C8A C3 96.7(3) 1_546 2_655 ? O1 C8A C3 146.7(4) . 2_655 ? C6 C8A C9 157.0(7) . 1_546 ? C10 C8A C9 105.1(7) . 1_546 ? C5 C8A C9 173.0(6) . 1_546 ? S6A C8A C9 138.0(4) . 1_546 ? S4 C8A C9 128.7(4) . 1_546 ? O3 C8A C9 71.7(4) . 1_546 ? S5A C8A C9 28.5(3) 1_546 1_546 ? O1 C8A C9 52.2(4) . 1_546 ? C3 C8A C9 106.7(4) 2_655 1_546 ? C6 C8A S3 72.4(6) . 2 ? C10 C8A S3 107.0(7) . 2 ? C5 C8A S3 78.6(4) . 2 ? S6A C8A S3 90.0(3) . 2 ? S4 C8A S3 69.7(2) . 2 ? O3 C8A S3 74.5(3) . 2 ? S5A C8A S3 110.6(3) 1_546 2 ? O1 C8A S3 49.4(3) . 2 ? C3 C8A S3 152.7(3) 2_655 2 ? C9 C8A S3 98.5(4) 1_546 2 ? C6 C8A S1 65.9(6) . 2_655 ? C10 C8A S1 101.3(7) . 2_655 ? C5 C8A S1 75.7(4) . 2_655 ? S6A C8A S1 92.5(3) . 2_655 ? S4 C8A S1 62.3(2) . 2_655 ? O3 C8A S1 79.5(3) . 2_655 ? S5A C8A S1 113.0(3) 1_546 2_655 ? O1 C8A S1 128.1(3) . 2_655 ? C3 C8A S1 26.7(2) 2_655 2_655 ? C9 C8A S1 110.7(4) 1_546 2_655 ? S3 C8A S1 132.1(2) 2 2_655 ? C6 C8A S1 115.8(7) . 2 ? C10 C8A S1 78.7(7) . 2 ? C5 C8A S1 105.9(4) . 2 ? S6A C8A S1 88.5(3) . 2 ? S4 C8A S1 119.1(3) . 2 ? O3 C8A S1 100.4(4) . 2 ? S5A C8A S1 65.3(2) 1_546 2 ? O1 C8A S1 51.6(3) . 2 ? C3 C8A S1 152.6(3) 2_655 2 ? C9 C8A S1 67.7(4) 1_546 2 ? S3 C8A S1 49.34(15) 2 2 ? S1 C8A S1 178.3(3) 2_655 2 ? C6 C8A C2 74.6(7) . 2 ? C10 C8A C2 81.1(7) . 2 ? C5 C8A C2 68.0(4) . 2 ? S6A C8A C2 67.3(3) . 2 ? S4 C8A C2 84.2(3) . 2 ? O3 C8A C2 100.4(4) . 2 ? S5A C8A C2 106.0(3) 1_546 2 ? O1 C8A C2 68.2(4) . 2 ? C3 C8A C2 143.8(4) 2_655 2 ? C9 C8A C2 106.7(4) 1_546 2 ? S3 C8A C2 25.9(2) 2 2 ? S1 C8A C2 140.4(3) 2_655 2 ? S1 C8A C2 41.3(2) 2 2 ? C6 C8A S5A 106.4(7) . 2_655 ? C10 C8A S5A 73.4(7) . 2_655 ? C5 C8A S5A 100.5(4) . 2_655 ? S6A C8A S5A 89.7(3) . 2_655 ? S4 C8A S5A 109.1(3) . 2_655 ? O3 C8A S5A 105.2(4) . 2_655 ? S5A C8A S5A 70.5(2) 1_546 2_655 ? O1 C8A S5A 131.3(3) . 2_655 ? C3 C8A S5A 26.2(2) 2_655 2_655 ? C9 C8A S5A 82.5(4) 1_546 2_655 ? S3 C8A S5A 178.8(3) 2 2_655 ? S1 C8A S5A 46.80(16) 2_655 2_655 ? S1 C8A S5A 131.8(2) 2 2_655 ? C2 C8A S5A 154.4(3) 2 2_655 ? C6 C8A H8A1 112.2 . . ? C10 C8A H8A1 112.2 . . ? C5 C8A H8A1 119.5 . . ? S6A C8A H8A1 117.8 . . ? S4 C8A H8A1 99.3 . . ? O3 C8A H8A1 66.8 . . ? S5A C8A H8A1 71.9 1_546 . ? O1 C8A H8A1 18.3 . . ? C3 C8A H8A1 162.3 2_655 . ? C9 C8A H8A1 57.0 1_546 . ? S3 C8A H8A1 41.6 2 . ? S1 C8A H8A1 146.2 2_655 . ? S1 C8A H8A1 33.6 2 . ? C2 C8A H8A1 53.9 2 . ? S5A C8A H8A1 139.4 2_655 . ? C6 C8A H8A2 112.2 . . ? C10 C8A H8A2 112.2 . . ? C5 C8A H8A2 125.3 . . ? S6A C8A H8A2 129.6 . . ? S4 C8A H8A2 95.2 . . ? O3 C8A H8A2 65.7 . . ? S5A C8A H8A2 68.9 1_546 . ? O1 C8A H8A2 95.0 . . ? C3 C8A H8A2 52.6 2_655 . ? C9 C8A H8A2 60.8 1_546 . ? S3 C8A H8A2 139.1 2 . ? S1 C8A H8A2 49.8 2_655 . ? S1 C8A H8A2 128.5 2 . ? C2 C8A H8A2 163.1 2 . ? S5A C8A H8A2 40.9 2_655 . ? H8A1 C8A H8A2 109.8 . . ? _diffrn_measured_fraction_theta_max 0.880 _diffrn_reflns_theta_full 26.37 _diffrn_measured_fraction_theta_full 0.880 _refine_diff_density_max 5.659 _refine_diff_density_min -1.478 _refine_diff_density_rms 0.423 data_(2) _database_code_CSD 174646 _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_formula_moiety ? _chemical_formula_sum 'C30 H24 O8 Re2 S18' _chemical_formula_weight 1461.97 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source 'Re' 'Re' -1.0185 7.2310 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'S' 'S' 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'O' 'O' 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' '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' _symmetry_cell_setting ? _symmetry_space_group_name_H-M 'P-1' loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, -z' _cell_length_a 6.370(2) _cell_length_b 7.788(4) _cell_length_c 22.865(5) _cell_angle_alpha 84.60(3) _cell_angle_beta 89.50(2) _cell_angle_gamma 70.25(3) _cell_volume 1062.5(7) _cell_formula_units_Z 1 _cell_measurement_temperature 293(2) _cell_measurement_reflns_used ? _cell_measurement_theta_min ? _cell_measurement_theta_max ? _exptl_crystal_description 'thin plates' _exptl_crystal_colour 'dark brown' _exptl_crystal_size_max 0.18 _exptl_crystal_size_mid 0.12 _exptl_crystal_size_min 0.005 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 2.285 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 706 _exptl_absorpt_coefficient_mu 6.625 _exptl_absorpt_correction_type ? _exptl_absorpt_correction_T_min ? _exptl_absorpt_correction_T_max ? _exptl_special_details ; ? ; _diffrn_ambient_temperature 293(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type ? _diffrn_measurement_method ? _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 2337 _diffrn_reflns_av_R_equivalents 0.0444 _diffrn_reflns_av_sigmaI/netI 0.1043 _diffrn_reflns_limit_h_min -7 _diffrn_reflns_limit_h_max 6 _diffrn_reflns_limit_k_min -8 _diffrn_reflns_limit_k_max 0 _diffrn_reflns_limit_l_min -25 _diffrn_reflns_limit_l_max 25 _diffrn_reflns_theta_min 2.69 _diffrn_reflns_theta_max 23.25 _reflns_number_total 2149 _reflns_number_gt 1868 _reflns_threshold_expression >2sigma(I) _computing_data_collection ? _computing_cell_refinement ? _computing_data_reduction ? _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics ? _computing_publication_material ? _refine_special_details ; Refinement of F^2^ against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F^2^, conventional R-factors R are based on F, with F set to zero for negative F^2^. The threshold expression of F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F^2^ are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. ; _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme 'calc w=1/[\s^2^(Fo^2^)+(0.0706P)^2^+8.5275P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment mixed _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 2149 _refine_ls_number_parameters 262 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0848 _refine_ls_R_factor_gt 0.0721 _refine_ls_wR_factor_ref 0.1533 _refine_ls_wR_factor_gt 0.1464 _refine_ls_goodness_of_fit_ref 1.086 _refine_ls_restrained_S_all 1.086 _refine_ls_shift/su_max 0.366 _refine_ls_shift/su_mean 0.020 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_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group Re Re 0.12611(17) 0.04314(16) 0.15726(5) 0.0366(4) Uani 1 d . . . O1 O 0.248(3) 0.178(3) 0.1868(8) 0.076(6) Uani 1 d . . . O2 O 0.207(2) 0.020(2) 0.0882(8) 0.061(5) Uani 1 d . . . O3 O -0.160(3) 0.146(3) 0.1576(9) 0.094(8) Uani 1 d . . . O4 O 0.204(4) -0.155(4) 0.1973(9) 0.105(8) Uani 1 d . . . S1 S 0.1666(9) 0.2394(10) 0.5339(2) 0.0423(17) Uani 1 d . . . S2 S 0.6392(10) 0.1734(10) 0.5648(3) 0.0463(18) Uani 1 d . . . S3 S 0.2504(9) 0.3587(9) 0.3992(2) 0.0371(16) Uani 1 d . . . S4 S 0.7260(9) 0.2847(9) 0.4287(3) 0.0440(17) Uani 1 d . . . C1 C 0.431(4) 0.242(3) 0.5100(9) 0.033(6) Uani 1 d . . . C2 C 0.461(3) 0.287(3) 0.4534(9) 0.026(5) Uani 1 d . . . C3 C 0.254(4) 0.173(3) 0.6064(10) 0.033(6) Uani 1 d . . . C4 C 0.465(4) 0.150(3) 0.6210(10) 0.040(6) Uani 1 d . . . C5 C 0.422(3) 0.385(3) 0.3418(9) 0.034(6) Uani 1 d . . . C6 C 0.635(4) 0.356(3) 0.3558(9) 0.031(5) Uani 1 d . . . C9 C 0.297(4) 0.100(4) 0.7151(10) 0.062(8) Uani 1 d . . . H9A H 0.2585 0.1992 0.7401 0.075 Uiso 1 calc R A 1 H9B H 0.3060 -0.0114 0.7397 0.075 Uiso 1 calc R A 1 C10 C 0.568(4) 0.442(3) 0.2476(9) 0.047(7) Uani 1 d . . . H10A H 0.5515 0.5624 0.2281 0.056 Uiso 1 calc R B 1 H10B H 0.5975 0.3571 0.2177 0.056 Uiso 1 calc R B 1 S7 S 0.3597(10) 0.4384(9) 0.0832(3) 0.0408(16) Uani 1 d . . . S8 S 0.1748(10) 0.7097(9) -0.0170(3) 0.0429(17) Uani 1 d . . . C11 C 0.398(3) 0.540(3) 0.0159(11) 0.040(6) Uani 1 d . . . C12 C 0.087(4) 0.581(3) 0.0864(10) 0.033(6) Uani 1 d . . . C13 C -0.002(3) 0.706(3) 0.0424(9) 0.029(6) Uani 1 d . . . C15 C -0.282(4) 0.757(4) 0.1161(12) 0.072(9) Uani 1 d . . . H15A H -0.2874 0.8543 0.1404 0.086 Uiso 1 calc R C 1 H15B H -0.4210 0.7335 0.1211 0.086 Uiso 1 calc R C 1 S5A S 0.0841(12) 0.1439(12) 0.6632(3) 0.048(2) Uani 0.75 d P . 1 C7A C 0.546(3) 0.075(2) 0.6876(6) 0.051(4) Uani 0.75 d P . 1 H7A1 H 0.6187 0.1491 0.7052 0.061 Uiso 0.75 calc PR . 1 H7A2 H 0.6436 -0.0525 0.6910 0.061 Uiso 0.75 calc PR . 1 C7B C 0.0841(12) 0.1439(12) 0.6632(3) 0.048(2) Uani 0.25 d P . 2 H7B1 H 0.0334 0.0407 0.6602 0.057 Uiso 0.25 calc PR . 2 H7B2 H -0.0411 0.2540 0.6685 0.057 Uiso 0.25 calc PR . 2 S5B S 0.546(3) 0.075(2) 0.6876(6) 0.051(4) Uani 0.25 d P . 2 S6A S 0.8063(10) 0.3729(11) 0.2976(3) 0.048(2) Uani 0.90 d P . 1 C8A C 0.348(3) 0.450(3) 0.2769(7) 0.052(6) Uani 0.90 d P . 1 H8A1 H 0.2411 0.5733 0.2729 0.062 Uiso 0.90 calc PR . 1 H8A2 H 0.2835 0.3683 0.2604 0.062 Uiso 0.90 calc PR . 1 C8B C 0.8063(10) 0.3729(11) 0.2976(3) 0.048(2) Uani 0.10 d P . 2 H8B1 H 0.9180 0.2569 0.2905 0.058 Uiso 0.10 calc PR . 2 H8B2 H 0.8738 0.4666 0.3002 0.058 Uiso 0.10 calc PR . 2 S6B S 0.348(3) 0.450(3) 0.2769(7) 0.052(6) Uani 0.10 d P . 2 S9A S -0.2757(13) 0.8411(12) 0.0449(4) 0.049(2) Uani 0.70 d P . 1 C14A C -0.084(2) 0.575(2) 0.1423(6) 0.051(4) Uani 0.70 d P . 1 H14A H -0.1269 0.4667 0.1453 0.062 Uiso 0.70 calc PR . 1 H14B H -0.0237 0.5892 0.1797 0.062 Uiso 0.70 calc PR . 1 C14B C -0.2757(13) 0.8411(12) 0.0449(4) 0.049(2) Uani 0.30 d P . 2 H14C H -0.3736 0.8103 0.0187 0.059 Uiso 0.30 calc PR . 2 H14D H -0.2990 0.9714 0.0399 0.059 Uiso 0.30 calc PR . 2 S9B S -0.084(2) 0.575(2) 0.1423(6) 0.051(4) Uani 0.30 d P . 2 loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 Re 0.0309(6) 0.0358(6) 0.0373(6) -0.0020(4) -0.0012(4) -0.0043(4) O1 0.076(14) 0.073(15) 0.066(13) 0.004(11) -0.008(11) -0.010(12) O2 0.023(9) 0.055(12) 0.099(15) -0.022(11) 0.010(9) -0.001(9) O3 0.028(11) 0.12(2) 0.101(17) -0.010(15) 0.022(11) 0.012(12) O4 0.091(17) 0.15(2) 0.073(15) 0.010(15) -0.013(13) -0.037(16) S1 0.023(3) 0.072(5) 0.029(3) 0.001(3) 0.006(3) -0.014(3) S2 0.028(3) 0.074(5) 0.039(4) 0.007(3) -0.004(3) -0.022(3) S3 0.020(3) 0.059(4) 0.029(3) 0.001(3) 0.003(2) -0.011(3) S4 0.028(3) 0.061(5) 0.044(4) 0.008(3) 0.000(3) -0.018(3) C1 0.037(14) 0.022(13) 0.027(13) 0.011(11) 0.019(10) 0.004(11) C2 0.015(11) 0.030(13) 0.033(14) 0.007(11) 0.005(9) -0.010(10) C3 0.027(13) 0.037(15) 0.043(14) -0.009(11) 0.013(11) -0.020(11) C4 0.051(16) 0.032(15) 0.039(14) -0.004(12) 0.001(12) -0.016(13) C5 0.015(12) 0.049(16) 0.037(14) -0.008(12) 0.017(10) -0.007(11) C6 0.039(14) 0.031(14) 0.035(13) -0.004(11) 0.001(11) -0.026(12) C9 0.09(2) 0.09(2) 0.024(14) -0.005(15) 0.021(14) -0.053(19) C10 0.056(17) 0.034(15) 0.028(13) 0.011(11) -0.012(12) 0.012(13) S7 0.032(3) 0.047(4) 0.039(4) 0.006(3) 0.008(3) -0.010(3) S8 0.034(4) 0.050(4) 0.040(4) 0.002(3) 0.001(3) -0.010(3) C11 0.024(12) 0.009(12) 0.077(18) 0.010(12) -0.012(12) 0.004(10) C12 0.037(14) 0.024(13) 0.044(14) -0.008(12) 0.000(11) -0.018(11) C13 0.018(12) 0.040(15) 0.031(13) -0.001(12) 0.016(10) -0.013(11) C15 0.037(16) 0.09(2) 0.08(2) -0.042(19) 0.005(15) -0.015(17) S5A 0.035(4) 0.070(6) 0.033(4) 0.006(4) 0.005(3) -0.013(4) C7A 0.071(11) 0.058(11) 0.031(8) 0.009(7) -0.004(7) -0.034(9) C7B 0.035(4) 0.070(6) 0.033(4) 0.006(4) 0.005(3) -0.013(4) S5B 0.071(11) 0.058(11) 0.031(8) 0.009(7) -0.004(7) -0.034(9) S6A 0.027(4) 0.077(6) 0.043(4) 0.009(4) 0.009(3) -0.026(4) C8A 0.067(14) 0.076(16) 0.020(10) 0.005(10) 0.003(10) -0.038(13) C8B 0.027(4) 0.077(6) 0.043(4) 0.009(4) 0.009(3) -0.026(4) S6B 0.067(14) 0.076(16) 0.020(10) 0.005(10) 0.003(10) -0.038(13) S9A 0.034(5) 0.044(5) 0.063(6) -0.008(5) 0.008(4) -0.006(4) C14A 0.043(8) 0.054(9) 0.053(9) -0.011(7) 0.019(7) -0.010(7) C14B 0.034(5) 0.044(5) 0.063(6) -0.008(5) 0.008(4) -0.006(4) S9B 0.043(8) 0.054(9) 0.053(9) -0.011(7) 0.019(7) -0.010(7) _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; 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 Re O2 1.664(18) . ? Re O4 1.64(2) . ? Re O1 1.69(2) . ? Re O3 1.724(17) . ? Re S8 3.758(6) 2_565 ? O1 O4 2.69(3) . ? O1 O2 2.72(3) . ? O1 O3 2.78(3) . ? O1 S7 3.21(2) . ? O1 S5B 3.33(2) 2_656 ? O1 C12 3.56(3) . ? O1 O3 3.76(3) 1_655 ? O1 S6A 3.79(2) 1_455 ? O2 O3 2.76(2) . ? O2 O4 2.73(3) . ? O2 S8 2.991(18) 2_565 ? O2 S9A 3.21(2) 2_565 ? O2 S9A 3.300(17) 1_645 ? O2 C13 3.40(3) 1_545 ? O2 C13 3.49(3) 2_565 ? O2 S8 3.621(19) 1_545 ? O2 S7 3.693(19) . ? O2 C12 3.75(3) 1_545 ? O3 O4 2.77(3) . ? O3 S8 3.30(2) 2_565 ? O3 S7 3.48(2) 1_455 ? O3 O1 3.76(3) 1_455 ? O3 S9A 3.90(3) 1_545 ? O3 S6A 3.77(2) 1_455 ? O4 S6B 3.27(3) 1_545 ? O4 S5B 3.30(3) 2_656 ? O4 S9B 3.53(3) 1_545 ? O4 S5A 3.66(2) 2_556 ? O4 C12 3.64(3) 1_545 ? O4 C9 3.94(3) 2_656 ? S1 C3 1.73(2) . ? S1 C1 1.77(2) . ? S1 C4 2.64(2) . ? S1 C2 2.70(2) . ? S1 S2 2.958(8) . ? S1 S5A 3.066(9) . ? S1 S3 3.225(8) . ? S1 S4 3.615(8) 1_455 ? S1 S2 3.621(8) 1_455 ? S1 S3 3.796(9) 2_566 ? S2 C4 1.73(2) . ? S2 C1 1.74(2) . ? S2 C3 2.62(2) . ? S2 C2 2.74(2) . ? S2 C7A 2.948(14) . ? S2 S4 3.245(8) . ? S2 S5A 3.566(10) 1_655 ? S2 S1 3.621(8) 1_655 ? S3 C2 1.74(2) . ? S3 C5 1.74(2) . ? S3 C6 2.63(2) . ? S3 C1 2.74(2) . ? S3 C8A 2.932(17) . ? S3 S4 2.958(8) . ? S3 S4 3.624(8) 1_455 ? S3 S6A 3.641(9) 1_455 ? S3 S1 3.796(9) 2_566 ? S3 C4 3.83(2) 2_656 ? S3 S5A 3.875(11) 2_566 ? S3 S5B 3.906(17) 2_656 ? S4 C6 1.75(2) . ? S4 C2 1.772(19) . ? S4 C5 2.66(2) . ? S4 C1 2.71(2) . ? S4 S6A 3.090(9) . ? S4 S1 3.615(8) 1_655 ? S4 S3 3.624(8) 1_655 ? S4 C3 3.69(2) 2_656 ? S4 C1 3.88(2) 2_666 ? C1 C2 1.34(3) . ? C1 C4 2.56(3) . ? C1 C3 2.56(3) . ? C1 C1 3.64(4) 2_656 ? C1 C6 3.88(3) . ? C1 S4 3.88(2) 2_666 ? C2 C6 2.58(3) . ? C2 C5 2.58(3) . ? C2 C3 3.81(3) 2_656 ? C2 C4 3.83(3) 2_656 ? C2 C3 3.86(3) . ? C2 C4 3.88(3) . ? C3 C4 1.33(3) . ? C3 S5A 1.73(2) . ? C3 C7A 2.51(3) . ? C3 C9 2.49(3) . ? C3 S4 3.69(2) 2_656 ? C3 C2 3.81(3) 2_656 ? C4 C7A 1.60(3) . ? C4 C9 2.45(3) . ? C4 S5A 2.62(3) . ? C4 C6 3.77(3) 2_666 ? C4 S3 3.83(2) 2_656 ? C4 C2 3.83(3) 2_656 ? C5 C6 1.34(3) . ? C5 C8A 1.54(3) . ? C5 C10 2.40(3) . ? C5 S6A 2.62(2) . ? C5 S5B 3.64(3) 2_656 ? C6 S6A 1.73(2) . ? C6 C8A 2.46(3) . ? C6 C10 2.50(3) . ? C6 C4 3.77(3) 2_666 ? C6 S5A 3.76(2) 2_656 ? C9 C7A 1.66(3) . ? C9 S5A 1.73(3) . ? C9 H9A 0.9700 . ? C9 H9B 0.9700 . ? C10 C8A 1.53(3) . ? C10 S6A 1.80(2) . ? C10 H10A 0.9700 . ? C10 H10B 0.9700 . ? S7 C11 1.72(2) . ? S7 C12 1.72(2) . ? S7 C13 2.63(2) . ? S7 C11 2.76(2) 2_665 ? S7 S8 2.925(8) . ? S7 S8 3.218(8) 2_665 ? S7 O3 3.48(2) 1_655 ? S8 C11 1.70(2) . ? S8 C13 1.760(19) . ? S8 C12 2.61(2) . ? S8 C11 2.76(2) 2_665 ? S8 O2 2.991(18) 2_565 ? S8 S9A 3.083(10) . ? S8 O3 3.30(2) 2_565 ? S8 S7 3.218(8) 2_665 ? S8 O2 3.621(19) 1_565 ? S8 C12 3.70(2) 2_565 ? S8 Re 3.758(6) 2_565 ? S8 S9A 3.762(11) 2_575 ? S8 C13 3.85(2) 2_565 ? C11 C11 1.46(4) 2_665 ? C11 C12 2.50(3) . ? C11 C13 2.53(3) . ? C11 S8 2.76(2) 2_665 ? C11 S7 2.76(2) 2_665 ? C11 S9A 3.70(2) 2_565 ? C11 S9A 3.73(2) 1_655 ? C12 C13 1.32(3) . ? C12 C14A 1.68(2) . ? C12 C15 2.41(3) . ? C12 S9A 2.62(2) . ? C12 O4 3.64(3) 1_565 ? C12 S8 3.70(2) 2_565 ? C12 O2 3.75(3) 1_565 ? C13 S9A 1.71(2) . ? C13 C15 2.40(3) . ? C13 C14A 2.53(2) . ? C13 O2 3.40(3) 1_565 ? C13 O2 3.49(3) 2_565 ? C13 S8 3.85(2) 2_565 ? C13 C13 3.89(4) 2_565 ? C15 C14A 1.61(3) . ? C15 S9A 1.70(3) . ? C15 H15A 0.9700 . ? C15 H15B 0.9700 . ? S5A C7A 2.858(17) . ? S5A S2 3.566(10) 1_455 ? S5A O4 3.66(2) 2_556 ? S5A C7A 3.674(17) 1_455 ? S5A C6 3.76(2) 2_656 ? S5A S6A 3.863(12) 2_656 ? S5A S3 3.875(11) 2_566 ? C7A H7A1 0.9700 . ? C7A H7A2 0.9700 . ? S6A C8A 2.81(2) . ? S6A S3 3.641(9) 1_655 ? S6A C8A 3.72(2) 1_655 ? S6A O1 3.79(2) 1_655 ? S6A S5A 3.863(12) 2_656 ? S6A O3 3.77(2) 1_655 ? C8A H8A1 0.9700 . ? C8A H8A2 0.9700 . ? S9A C14A 2.864(16) . ? S9A O2 3.21(2) 2_565 ? S9A O2 3.300(17) 1_465 ? S9A S9A 3.589(17) 2_475 ? S9A C11 3.70(2) 2_565 ? S9A C11 3.73(2) 1_455 ? S9A S8 3.762(11) 2_575 ? S9A O3 3.90(3) 1_565 ? C14A H14A 0.9700 . ? C14A H14B 0.9700 . ? 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 O2 Re O4 111.5(10) . . ? O2 Re O1 108.6(9) . . ? O4 Re O1 107.7(10) . . ? O2 Re O3 109.0(9) . . ? O4 Re O3 110.6(11) . . ? O1 Re O3 109.3(11) . . ? O2 Re S8 50.6(5) . 2_565 ? O4 Re S8 143.2(8) . 2_565 ? O1 Re S8 108.7(6) . 2_565 ? O3 Re S8 61.3(7) . 2_565 ? Re O1 O4 35.6(6) . . ? Re O1 O2 35.4(5) . . ? O4 O1 O2 60.6(7) . . ? Re O1 O3 35.8(6) . . ? O4 O1 O3 60.7(8) . . ? O2 O1 O3 60.1(7) . . ? Re O1 S7 108.8(8) . . ? O4 O1 S7 136.1(9) . . ? O2 O1 S7 76.6(6) . . ? O3 O1 S7 107.2(7) . . ? Re O1 S5B 100.5(8) . 2_656 ? O4 O1 S5B 65.5(7) . 2_656 ? O2 O1 S5B 121.4(8) . 2_656 ? O3 O1 S5B 110.4(8) . 2_656 ? S7 O1 S5B 142.4(7) . 2_656 ? Re O1 C12 103.0(8) . . ? O4 O1 C12 138.5(9) . . ? O2 O1 C12 81.9(7) . . ? O3 O1 C12 86.2(7) . . ? S7 O1 C12 28.9(4) . . ? S5B O1 C12 155.8(8) 2_656 . ? Re O1 O3 122.6(9) . 1_655 ? O4 O1 O3 111.3(8) . 1_655 ? O2 O1 O3 93.7(7) . 1_655 ? O3 O1 O3 153.6(10) . 1_655 ? S7 O1 O3 59.3(5) . 1_655 ? S5B O1 O3 85.2(6) 2_656 1_655 ? C12 O1 O3 86.8(7) . 1_655 ? Re O1 S6A 97.9(8) . 1_455 ? O4 O1 S6A 94.7(7) . 1_455 ? O2 O1 S6A 128.2(7) . 1_455 ? O3 O1 S6A 68.1(6) . 1_455 ? S7 O1 S6A 121.1(6) . 1_455 ? S5B O1 S6A 76.1(5) 2_656 1_455 ? C12 O1 S6A 95.2(6) . 1_455 ? O3 O1 S6A 138.0(7) 1_655 1_455 ? Re O2 O3 36.2(5) . . ? Re O2 O1 36.0(6) . . ? O3 O2 O1 61.0(7) . . ? Re O2 O4 34.0(7) . . ? O3 O2 O4 60.6(8) . . ? O1 O2 O4 59.1(8) . . ? Re O2 S8 104.0(6) . 2_565 ? O3 O2 S8 69.8(6) . 2_565 ? O1 O2 S8 106.7(7) . 2_565 ? O4 O2 S8 129.0(7) . 2_565 ? Re O2 S9A 155.9(9) . 2_565 ? O3 O2 S9A 128.9(7) . 2_565 ? O1 O2 S9A 127.1(8) . 2_565 ? O4 O2 S9A 169.7(8) . 2_565 ? S8 O2 S9A 59.5(4) 2_565 2_565 ? Re O2 S9A 126.1(8) . 1_645 ? O3 O2 S9A 162.3(8) . 1_645 ? O1 O2 S9A 104.1(7) . 1_645 ? O4 O2 S9A 104.4(7) . 1_645 ? S8 O2 S9A 126.4(6) 2_565 1_645 ? S9A O2 S9A 66.9(4) 2_565 1_645 ? Re O2 C13 104.9(8) . 1_545 ? O3 O2 C13 89.5(7) . 1_545 ? O1 O2 C13 140.6(8) . 1_545 ? O4 O2 C13 84.3(8) . 1_545 ? S8 O2 C13 84.0(6) 2_565 1_545 ? S9A O2 C13 91.4(6) 2_565 1_545 ? S9A O2 C13 98.6(6) 1_645 1_545 ? Re O2 C13 131.6(8) . 2_565 ? O3 O2 C13 99.8(7) . 2_565 ? O1 O2 C13 119.9(8) . 2_565 ? O4 O2 C13 159.1(8) . 2_565 ? S8 O2 C13 30.3(4) 2_565 2_565 ? S9A O2 C13 29.2(4) 2_565 2_565 ? S9A O2 C13 96.1(6) 1_645 2_565 ? C13 O2 C13 88.7(7) 1_545 2_565 ? Re O2 S8 133.0(8) . 1_545 ? O3 O2 S8 116.1(7) . 1_545 ? O1 O2 S8 165.5(8) . 1_545 ? O4 O2 S8 106.7(8) . 1_545 ? S8 O2 S8 84.1(5) 2_565 1_545 ? S9A O2 S8 66.5(4) 2_565 1_545 ? S9A O2 S8 75.7(4) 1_645 1_545 ? C13 O2 S8 28.8(4) 1_545 1_545 ? C13 O2 S8 74.2(5) 2_565 1_545 ? Re O2 S7 91.0(7) . . ? O3 O2 S7 95.8(7) . . ? O1 O2 S7 57.6(5) . . ? O4 O2 S7 116.0(8) . . ? S8 O2 S7 78.8(4) 2_565 . ? S9A O2 S7 69.5(4) 2_565 . ? S9A O2 S7 82.2(4) 1_645 . ? C13 O2 S7 159.0(7) 1_545 . ? C13 O2 S7 70.4(5) 2_565 . ? S8 O2 S7 135.6(6) 1_545 . ? Re O2 C12 92.3(8) . 1_545 ? O3 O2 C12 88.3(7) . 1_545 ? O1 O2 C12 125.0(8) . 1_545 ? O4 O2 C12 66.1(7) . 1_545 ? S8 O2 C12 102.8(6) 2_565 1_545 ? S9A O2 C12 107.9(6) 2_565 1_545 ? S9A O2 C12 93.8(5) 1_645 1_545 ? C13 O2 C12 20.4(5) 1_545 1_545 ? C13 O2 C12 109.0(7) 2_565 1_545 ? S8 O2 C12 41.4(4) 1_545 1_545 ? S7 O2 C12 175.9(6) . 1_545 ? Re O3 O2 34.8(5) . . ? Re O3 O4 33.7(6) . . ? O2 O3 O4 59.3(7) . . ? Re O3 O1 35.0(6) . . ? O2 O3 O1 58.9(6) . . ? O4 O3 O1 58.0(7) . . ? Re O3 S8 91.4(7) . 2_565 ? O2 O3 S8 58.4(5) . 2_565 ? O4 O3 S8 116.6(7) . 2_565 ? O1 O3 S8 97.6(7) . 2_565 ? Re O3 S7 147.4(10) . 1_455 ? O2 O3 S7 114.9(8) . 1_455 ? O4 O3 S7 164.2(10) . 1_455 ? O1 O3 S7 134.0(9) . 1_455 ? S8 O3 S7 56.6(4) 2_565 1_455 ? Re O3 O1 156.7(12) . 1_455 ? O2 O3 O1 147.2(9) . 1_455 ? O4 O3 O1 123.2(9) . 1_455 ? O1 O3 O1 153.6(10) . 1_455 ? S8 O3 O1 103.3(6) 2_565 1_455 ? S7 O3 O1 52.4(4) 1_455 1_455 ? Re O3 S9A 94.6(8) . 1_545 ? O2 O3 S9A 70.4(6) . 1_545 ? O4 O3 S9A 87.1(8) . 1_545 ? O1 O3 S9A 127.8(7) . 1_545 ? S8 O3 S9A 62.4(4) 2_565 1_545 ? S7 O3 S9A 77.1(5) 1_455 1_545 ? O1 O3 S9A 77.0(5) 1_455 1_545 ? Re O3 S6A 97.7(9) . 1_455 ? O2 O3 S6A 127.5(8) . 1_455 ? O4 O3 S6A 93.7(7) . 1_455 ? O1 O3 S6A 68.7(6) . 1_455 ? S8 O3 S6A 133.9(7) 2_565 1_455 ? S7 O3 S6A 100.7(5) 1_455 1_455 ? O1 O3 S6A 85.1(5) 1_455 1_455 ? S9A O3 S6A 159.0(6) 1_545 1_455 ? Re O4 O1 36.7(7) . . ? Re O4 O2 34.5(6) . . ? O1 O4 O2 60.3(8) . . ? Re O4 O3 35.6(7) . . ? O1 O4 O3 61.3(9) . . ? O2 O4 O3 60.2(7) . . ? Re O4 S6B 178.6(12) . 1_545 ? O1 O4 S6B 144.2(10) . 1_545 ? O2 O4 S6B 145.8(10) . 1_545 ? O3 O4 S6B 143.1(10) . 1_545 ? Re O4 S5B 102.8(11) . 2_656 ? O1 O4 S5B 66.6(7) . 2_656 ? O2 O4 S5B 122.1(10) . 2_656 ? O3 O4 S5B 111.6(10) . 2_656 ? S6B O4 S5B 78.0(6) 1_545 2_656 ? Re O4 S9B 107.6(9) . 1_545 ? O1 O4 S9B 144.2(9) . 1_545 ? O2 O4 S9B 91.4(7) . 1_545 ? O3 O4 S9B 86.4(8) . 1_545 ? S6B O4 S9B 71.3(7) 1_545 1_545 ? S5B O4 S9B 146.4(8) 2_656 1_545 ? Re O4 S5A 113.4(11) . 2_556 ? O1 O4 S5A 100.9(8) . 2_556 ? O2 O4 S5A 145.9(9) . 2_556 ? O3 O4 S5A 86.1(7) . 2_556 ? S6B O4 S5A 66.0(5) 1_545 2_556 ? S5B O4 S5A 63.5(5) 2_656 2_556 ? S9B O4 S5A 91.1(6) 1_545 2_556 ? Re O4 C12 96.7(9) . 1_545 ? O1 O4 C12 130.5(9) . 1_545 ? O2 O4 C12 70.5(7) . 1_545 ? O3 O4 C12 90.5(8) . 1_545 ? S6B O4 C12 82.7(8) 1_545 1_545 ? S5B O4 C12 157.7(9) 2_656 1_545 ? S9B O4 C12 27.0(4) 1_545 1_545 ? S5A O4 C12 118.0(8) 2_556 1_545 ? Re O4 C9 98.4(11) . 2_656 ? O1 O4 C9 62.9(8) . 2_656 ? O2 O4 C9 105.1(8) . 2_656 ? O3 O4 C9 121.2(11) . 2_656 ? S6B O4 C9 82.8(7) 1_545 2_656 ? S5B O4 C9 24.6(4) 2_656 2_656 ? S9B O4 C9 152.1(9) 1_545 2_656 ? S5A O4 C9 87.6(6) 2_556 2_656 ? C12 O4 C9 141.6(9) 1_545 2_656 ? C3 S1 C1 94.0(10) . . ? C3 S1 C4 26.3(8) . . ? C1 S1 C4 67.7(9) . . ? C3 S1 C2 119.3(8) . . ? C1 S1 C2 25.3(8) . . ? C4 S1 C2 93.0(7) . . ? C3 S1 S2 61.6(7) . . ? C1 S1 S2 32.4(7) . . ? C4 S1 S2 35.4(5) . . ? C2 S1 S2 57.7(5) . . ? C3 S1 S5A 27.7(7) . . ? C1 S1 S5A 121.6(8) . . ? C4 S1 S5A 53.9(5) . . ? C2 S1 S5A 147.0(5) . . ? S2 S1 S5A 89.3(2) . . ? C3 S1 S3 152.0(7) . . ? C1 S1 S3 58.0(7) . . ? C4 S1 S3 125.7(6) . . ? C2 S1 S3 32.7(4) . . ? S2 S1 S3 90.4(2) . . ? S5A S1 S3 177.4(3) . . ? C3 S1 S4 144.0(7) . 1_455 ? C1 S1 S4 120.7(8) . 1_455 ? C4 S1 S4 168.2(6) . 1_455 ? C2 S1 S4 95.7(5) . 1_455 ? S2 S1 S4 151.8(2) . 1_455 ? S5A S1 S4 117.1(2) . 1_455 ? S3 S1 S4 63.69(17) . 1_455 ? C3 S1 S2 91.0(7) . 1_455 ? C1 S1 S2 169.9(8) . 1_455 ? C4 S1 S2 117.0(6) . 1_455 ? C2 S1 S2 148.6(5) . 1_455 ? S2 S1 S2 150.9(3) . 1_455 ? S5A S1 S2 63.8(2) . 1_455 ? S3 S1 S2 117.0(2) . 1_455 ? S4 S1 S2 53.28(16) 1_455 1_455 ? C3 S1 S3 82.3(7) . 2_566 ? C1 S1 S3 122.5(8) . 2_566 ? C4 S1 S3 96.2(5) . 2_566 ? C2 S1 S3 121.7(5) . 2_566 ? S2 S1 S3 114.8(3) . 2_566 ? S5A S1 S3 67.8(2) . 2_566 ? S3 S1 S3 110.0(2) . 2_566 ? S4 S1 S3 86.01(18) 1_455 2_566 ? S2 S1 S3 66.95(18) 1_455 2_566 ? C4 S2 C1 95.1(11) . . ? C4 S2 C3 26.8(9) . . ? C1 S2 C3 68.4(8) . . ? C4 S2 C2 118.7(9) . . ? C1 S2 C2 23.6(8) . . ? C3 S2 C2 91.9(7) . . ? C4 S2 C7A 26.6(8) . . ? C1 S2 C7A 121.6(8) . . ? C3 S2 C7A 53.3(6) . . ? C2 S2 C7A 145.2(5) . . ? C4 S2 S1 62.3(8) . . ? C1 S2 S1 32.9(7) . . ? C3 S2 S1 35.5(5) . . ? C2 S2 S1 56.5(4) . . ? C7A S2 S1 88.7(4) . . ? C4 S2 S4 151.7(8) . . ? C1 S2 S4 56.6(7) . . ? C3 S2 S4 125.0(5) . . ? C2 S2 S4 33.1(4) . . ? C7A S2 S4 178.3(4) . . ? S1 S2 S4 89.6(2) . . ? C4 S2 S5A 93.3(8) . 1_655 ? C1 S2 S5A 165.0(8) . 1_655 ? C3 S2 S5A 119.9(5) . 1_655 ? C2 S2 S5A 145.6(5) . 1_655 ? C7A S2 S5A 67.9(3) . 1_655 ? S1 S2 S5A 153.9(3) . 1_655 ? S4 S2 S5A 113.7(2) . 1_655 ? C4 S2 S1 143.3(8) . 1_655 ? C1 S2 S1 118.9(7) . 1_655 ? C3 S2 S1 166.9(6) . 1_655 ? C2 S2 S1 95.8(4) . 1_655 ? C7A S2 S1 118.4(4) . 1_655 ? S1 S2 S1 150.9(3) . 1_655 ? S4 S2 S1 63.27(17) . 1_655 ? S5A S2 S1 50.49(17) 1_655 1_655 ? C2 S3 C5 95.7(10) . . ? C2 S3 C6 68.8(8) . . ? C5 S3 C6 26.9(8) . . ? C2 S3 C1 23.7(8) . . ? C5 S3 C1 119.4(9) . . ? C6 S3 C1 92.5(7) . . ? C2 S3 C8A 120.8(8) . . ? C5 S3 C8A 25.2(8) . . ? C6 S3 C8A 52.1(6) . . ? C1 S3 C8A 144.5(6) . . ? C2 S3 S4 33.0(6) . . ? C5 S3 S4 62.7(7) . . ? C6 S3 S4 35.8(5) . . ? C1 S3 S4 56.7(5) . . ? C8A S3 S4 87.9(4) . . ? C2 S3 S1 57.0(6) . . ? C5 S3 S1 152.5(8) . . ? C6 S3 S1 125.8(5) . . ? C1 S3 S1 33.3(4) . . ? C8A S3 S1 176.9(5) . . ? S4 S3 S1 90.0(2) . . ? C2 S3 S4 119.2(7) . 1_455 ? C5 S3 S4 142.0(8) . 1_455 ? C6 S3 S4 164.9(5) . 1_455 ? C1 S3 S4 96.1(5) . 1_455 ? C8A S3 S4 118.2(4) . 1_455 ? S4 S3 S4 150.7(3) . 1_455 ? S1 S3 S4 63.41(17) . 1_455 ? C2 S3 S6A 163.1(8) . 1_455 ? C5 S3 S6A 92.1(8) . 1_455 ? C6 S3 S6A 118.4(5) . 1_455 ? C1 S3 S6A 145.3(5) . 1_455 ? C8A S3 S6A 67.9(4) . 1_455 ? S4 S3 S6A 151.7(2) . 1_455 ? S1 S3 S6A 113.6(2) . 1_455 ? S4 S3 S6A 50.33(15) 1_455 1_455 ? C2 S3 S1 100.6(7) . 2_566 ? C5 S3 S1 123.1(8) . 2_566 ? C6 S3 S1 124.9(5) . 2_566 ? C1 S3 S1 86.8(5) . 2_566 ? C8A S3 S1 113.0(5) . 2_566 ? S4 S3 S1 116.2(2) . 2_566 ? S1 S3 S1 70.0(2) . 2_566 ? S4 S3 S1 68.05(17) 1_455 2_566 ? S6A S3 S1 87.67(19) 1_455 2_566 ? C2 S3 C4 77.0(8) . 2_656 ? C5 S3 C4 82.3(8) . 2_656 ? C6 S3 C4 78.4(6) . 2_656 ? C1 S3 C4 81.5(6) . 2_656 ? C8A S3 C4 89.1(6) . 2_656 ? S4 S3 C4 75.5(4) . 2_656 ? S1 S3 C4 88.2(4) . 2_656 ? S4 S3 C4 90.7(4) 1_455 2_656 ? S6A S3 C4 89.2(4) 1_455 2_656 ? S1 S3 C4 154.5(4) 2_566 2_656 ? C2 S3 S5A 127.8(8) . 2_566 ? C5 S3 S5A 80.4(8) . 2_566 ? C6 S3 S5A 95.8(5) . 2_566 ? C1 S3 S5A 127.5(5) . 2_566 ? C8A S3 S5A 65.9(5) . 2_566 ? S4 S3 S5A 115.8(3) . 2_566 ? S1 S3 S5A 117.1(2) . 2_566 ? S4 S3 S5A 88.7(2) 1_455 2_566 ? S6A S3 S5A 68.4(2) 1_455 2_566 ? S1 S3 S5A 47.10(16) 2_566 2_566 ? C4 S3 S5A 151.0(4) 2_656 2_566 ? C2 S3 S5B 97.7(8) . 2_656 ? C5 S3 S5B 68.3(8) . 2_656 ? C6 S3 S5B 75.0(5) . 2_656 ? C1 S3 S5B 105.2(5) . 2_656 ? C8A S3 S5B 68.1(5) . 2_656 ? S4 S3 S5B 86.7(3) . 2_656 ? S1 S3 S5B 109.6(3) . 2_656 ? S4 S3 S5B 90.8(3) 1_455 2_656 ? S6A S3 S5B 71.2(3) 1_455 2_656 ? S1 S3 S5B 157.0(3) 2_566 2_656 ? C4 S3 S5B 23.9(4) 2_656 2_656 ? S5A S3 S5B 127.1(3) 2_566 2_656 ? C6 S4 C2 94.2(10) . . ? C6 S4 C5 26.3(8) . . ? C2 S4 C5 68.0(8) . . ? C6 S4 C1 119.4(9) . . ? C2 S4 C1 25.2(8) . . ? C5 S4 C1 93.1(7) . . ? C6 S4 S3 61.9(7) . . ? C2 S4 S3 32.3(7) . . ? C5 S4 S3 35.6(4) . . ? C1 S4 S3 57.5(5) . . ? C6 S4 S6A 27.3(7) . . ? C2 S4 S6A 121.4(7) . . ? C5 S4 S6A 53.5(4) . . ? C1 S4 S6A 146.5(5) . . ? S3 S4 S6A 89.1(2) . . ? C6 S4 S2 151.9(8) . . ? C2 S4 S2 57.7(7) . . ? C5 S4 S2 125.6(5) . . ? C1 S4 S2 32.5(5) . . ? S3 S4 S2 90.0(2) . . ? S6A S4 S2 177.2(3) . . ? C6 S4 S1 143.9(8) . 1_655 ? C2 S4 S1 120.1(7) . 1_655 ? C5 S4 S1 167.0(6) . 1_655 ? C1 S4 S1 95.4(5) . 1_655 ? S3 S4 S1 151.0(2) . 1_655 ? S6A S4 S1 117.9(2) . 1_655 ? S2 S4 S1 63.45(17) . 1_655 ? C6 S4 S3 91.2(7) . 1_655 ? C2 S4 S3 167.5(8) . 1_655 ? C5 S4 S3 117.0(5) . 1_655 ? C1 S4 S3 147.5(6) . 1_655 ? S3 S4 S3 150.7(3) . 1_655 ? S6A S4 S3 65.12(18) . 1_655 ? S2 S4 S3 116.3(2) . 1_655 ? S1 S4 S3 52.90(15) 1_655 1_655 ? C6 S4 C3 85.4(8) . 2_656 ? C2 S4 C3 80.1(8) . 2_656 ? C5 S4 C3 80.9(6) . 2_656 ? C1 S4 C3 83.5(6) . 2_656 ? S3 S4 C3 79.5(4) . 2_656 ? S6A S4 C3 88.1(4) . 2_656 ? S2 S4 C3 89.2(4) . 2_656 ? S1 S4 C3 109.8(4) 1_655 2_656 ? S3 S4 C3 111.6(4) 1_655 2_656 ? C6 S4 C1 99.4(8) . 2_666 ? C2 S4 C1 84.9(8) . 2_666 ? C5 S4 C1 96.9(6) . 2_666 ? C1 S4 C1 81.4(6) . 2_666 ? S3 S4 C1 89.8(4) . 2_666 ? S6A S4 C1 103.0(4) . 2_666 ? S2 S4 C1 79.7(3) . 2_666 ? S1 S4 C1 74.8(4) 1_655 2_666 ? S3 S4 C1 83.1(4) 1_655 2_666 ? C3 S4 C1 164.6(5) 2_656 2_666 ? C2 C1 S2 125.1(17) . . ? C2 C1 S1 120.2(17) . . ? S2 C1 S1 114.7(11) . . ? C2 C1 C4 167.2(18) . . ? S2 C1 C4 42.2(7) . . ? S1 C1 C4 72.6(9) . . ? C2 C1 C3 162.6(18) . . ? S2 C1 C3 72.3(9) . . ? S1 C1 C3 42.4(7) . . ? C4 C1 C3 30.2(7) . . ? C2 C1 S4 34.3(10) . . ? S2 C1 S4 90.8(9) . . ? S1 C1 S4 154.4(12) . . ? C4 C1 S4 133.0(11) . . ? C3 C1 S4 163.2(11) . . ? C2 C1 S3 31.6(11) . . ? S2 C1 S3 156.6(11) . . ? S1 C1 S3 88.7(9) . . ? C4 C1 S3 161.1(11) . . ? C3 C1 S3 131.0(10) . . ? S4 C1 S3 65.8(5) . . ? C2 C1 C1 93.2(15) . 2_656 ? S2 C1 C1 87.0(9) . 2_656 ? S1 C1 C1 87.4(10) . 2_656 ? C4 C1 C1 87.7(9) . 2_656 ? C3 C1 C1 86.7(9) . 2_656 ? S4 C1 C1 92.5(8) . 2_656 ? S3 C1 C1 94.0(9) . 2_656 ? C2 C1 C6 11.2(11) . . ? S2 C1 C6 113.9(9) . . ? S1 C1 C6 131.4(10) . . ? C4 C1 C6 156.1(10) . . ? C3 C1 C6 173.7(10) . . ? S4 C1 C6 23.1(4) . . ? S3 C1 C6 42.7(4) . . ? C1 C1 C6 93.3(8) 2_656 . ? C2 C1 S4 100.8(14) . 2_666 ? S2 C1 S4 84.3(8) . 2_666 ? S1 C1 S4 86.2(8) . 2_666 ? C4 C1 S4 78.5(7) . 2_666 ? C3 C1 S4 80.2(7) . 2_666 ? S4 C1 S4 98.6(6) . 2_666 ? S3 C1 S4 98.3(6) . 2_666 ? C1 C1 S4 166.0(9) 2_656 2_666 ? C6 C1 S4 100.3(6) . 2_666 ? C1 C2 S3 124.7(16) . . ? C1 C2 S4 120.6(17) . . ? S3 C2 S4 114.7(11) . . ? C1 C2 C6 163.1(17) . . ? S3 C2 C6 72.2(8) . . ? S4 C2 C6 42.5(7) . . ? C1 C2 C5 166.9(17) . . ? S3 C2 C5 42.2(6) . . ? S4 C2 C5 72.5(8) . . ? C6 C2 C5 30.0(7) . . ? C1 C2 S1 34.5(11) . . ? S3 C2 S1 90.3(8) . . ? S4 C2 S1 155.0(11) . . ? C6 C2 S1 162.5(10) . . ? C5 C2 S1 132.4(9) . . ? C1 C2 S2 31.4(11) . . ? S3 C2 S2 156.1(10) . . ? S4 C2 S2 89.2(8) . . ? C6 C2 S2 131.7(9) . . ? C5 C2 S2 161.8(9) . . ? S1 C2 S2 65.8(5) . . ? C1 C2 C3 103.6(14) . 2_656 ? S3 C2 C3 93.7(9) . 2_656 ? S4 C2 C3 72.6(7) . 2_656 ? C6 C2 C3 73.7(7) . 2_656 ? C5 C2 C3 79.4(8) . 2_656 ? S1 C2 C3 107.3(7) . 2_656 ? S2 C2 C3 94.8(7) . 2_656 ? C1 C2 C4 104.4(15) . 2_656 ? S3 C2 C4 76.8(8) . 2_656 ? S4 C2 C4 89.7(9) . 2_656 ? C6 C2 C4 78.9(8) . 2_656 ? C5 C2 C4 74.0(8) . 2_656 ? S1 C2 C4 96.4(7) . 2_656 ? S2 C2 C4 106.1(7) . 2_656 ? C3 C2 C4 20.1(5) 2_656 2_656 ? C1 C2 C3 11.5(12) . . ? S3 C2 C3 113.3(8) . . ? S4 C2 C3 132.0(9) . . ? C6 C2 C3 174.5(9) . . ? C5 C2 C3 155.4(9) . . ? S1 C2 C3 23.0(4) . . ? S2 C2 C3 42.8(4) . . ? C3 C2 C3 105.6(6) 2_656 . ? C4 C2 C3 102.2(7) 2_656 . ? C1 C2 C4 8.4(12) . . ? S3 C2 C4 133.1(9) . . ? S4 C2 C4 112.2(9) . . ? C6 C2 C4 154.7(9) . . ? C5 C2 C4 175.2(9) . . ? S1 C2 C4 42.8(5) . . ? S2 C2 C4 23.0(4) . . ? C3 C2 C4 102.3(7) 2_656 . ? C4 C2 C4 106.1(6) 2_656 . ? C3 C2 C4 19.9(5) . . ? C4 C3 S5A 116.6(18) . . ? C4 C3 S1 118.6(17) . . ? S5A C3 S1 124.7(13) . . ? C4 C3 C7A 34.4(12) . . ? S5A C3 C7A 82.4(9) . . ? S1 C3 C7A 152.9(12) . . ? C4 C3 C9 72.7(15) . . ? S5A C3 C9 44.0(8) . . ? S1 C3 C9 168.2(13) . . ? C7A C3 C9 38.7(7) . . ? C4 C3 C1 75.0(14) . . ? S5A C3 C1 168.2(13) . . ? S1 C3 C1 43.6(7) . . ? C7A C3 C1 109.3(10) . . ? C9 C3 C1 147.5(12) . . ? C4 C3 S2 35.8(11) . . ? S5A C3 S2 152.4(12) . . ? S1 C3 S2 82.9(8) . . ? C7A C3 S2 70.0(7) . . ? C9 C3 S2 108.4(10) . . ? C1 C3 S2 39.3(6) . . ? C4 C3 S4 103.9(15) . 2_656 ? S5A C3 S4 85.3(8) . 2_656 ? S1 C3 S4 84.2(8) . 2_656 ? C7A C3 S4 98.5(8) . 2_656 ? C9 C3 S4 96.6(10) . 2_656 ? C1 C3 S4 93.8(8) . 2_656 ? S2 C3 S4 99.4(6) . 2_656 ? C4 C3 C2 81.0(14) . 2_656 ? S5A C3 C2 108.8(10) . 2_656 ? S1 C3 C2 82.4(8) . 2_656 ? C7A C3 C2 87.9(8) . 2_656 ? C9 C3 C2 103.7(10) . 2_656 ? C1 C3 C2 73.7(7) . 2_656 ? S2 C3 C2 72.2(6) . 2_656 ? S4 C3 C2 27.3(3) 2_656 2_656 ? C4 C3 C2 81.0(14) . . ? S5A C3 C2 162.3(11) . . ? S1 C3 C2 37.7(6) . . ? C7A C3 C2 115.3(8) . . ? C9 C3 C2 153.4(10) . . ? C1 C3 C2 6.0(6) . . ? S2 C3 C2 45.3(5) . . ? S4 C3 C2 92.6(6) 2_656 . ? C2 C3 C2 74.4(6) 2_656 . ? C3 C4 C7A 117.5(19) . . ? C3 C4 S2 117.4(18) . . ? C7A C4 S2 124.5(16) . . ? C3 C4 C9 76.1(15) . . ? C7A C4 C9 42.2(10) . . ? S2 C4 C9 166.6(15) . . ? C3 C4 C1 74.8(14) . . ? C7A C4 C1 166.8(16) . . ? S2 C4 C1 42.7(7) . . ? C9 C4 C1 150.7(13) . . ? C3 C4 S5A 36.3(12) . . ? C7A C4 S5A 81.5(11) . . ? S2 C4 S5A 153.6(13) . . ? C9 C4 S5A 39.8(7) . . ? C1 C4 S5A 111.1(10) . . ? C3 C4 S1 35.1(11) . . ? C7A C4 S1 152.4(15) . . ? S2 C4 S1 82.4(9) . . ? C9 C4 S1 111.1(11) . . ? C1 C4 S1 39.7(6) . . ? S5A C4 S1 71.3(7) . . ? C3 C4 C6 95.9(15) . 2_666 ? C7A C4 C6 94.4(11) . 2_666 ? S2 C4 C6 87.6(9) . 2_666 ? C9 C4 C6 91.6(10) . 2_666 ? C1 C4 C6 88.6(8) . 2_666 ? S5A C4 C6 95.4(8) . 2_666 ? S1 C4 C6 92.7(7) . 2_666 ? C3 C4 S3 101.0(15) . 2_656 ? C7A C4 S3 80.7(10) . 2_656 ? S2 C4 S3 81.7(8) . 2_656 ? C9 C4 S3 95.7(10) . 2_656 ? C1 C4 S3 92.6(8) . 2_656 ? S5A C4 S3 100.2(7) . 2_656 ? S1 C4 S3 99.2(7) . 2_656 ? C6 C4 S3 162.7(8) 2_666 2_656 ? C3 C4 C2 78.9(14) . 2_656 ? C7A C4 C2 103.5(12) . 2_656 ? S2 C4 C2 79.5(8) . 2_656 ? C9 C4 C2 103.9(10) . 2_656 ? C1 C4 C2 73.2(8) . 2_656 ? S5A C4 C2 90.6(7) . 2_656 ? S1 C4 C2 73.0(6) . 2_656 ? C6 C4 C2 161.8(8) 2_666 2_656 ? S3 C4 C2 26.3(3) 2_656 2_656 ? C3 C4 C2 79.2(14) . . ? C7A C4 C2 162.7(14) . . ? S2 C4 C2 38.3(6) . . ? C9 C4 C2 155.1(11) . . ? C1 C4 C2 4.4(6) . . ? S5A C4 C2 115.4(8) . . ? S1 C4 C2 44.1(5) . . ? C6 C4 C2 88.0(6) 2_666 . ? S3 C4 C2 91.9(6) 2_656 . ? C2 C4 C2 73.9(6) 2_656 . ? C6 C5 C8A 116.8(18) . . ? C6 C5 S3 116.9(17) . . ? C8A C5 S3 126.2(15) . . ? C6 C5 C10 78.4(14) . . ? C8A C5 C10 38.6(10) . . ? S3 C5 C10 164.7(13) . . ? C6 C5 C2 74.8(14) . . ? C8A C5 C2 168.3(14) . . ? S3 C5 C2 42.2(7) . . ? C10 C5 C2 153.1(11) . . ? C6 C5 S6A 36.5(11) . . ? C8A C5 S6A 80.5(11) . . ? S3 C5 S6A 153.3(12) . . ? C10 C5 S6A 41.9(6) . . ? C2 C5 S6A 111.2(9) . . ? C6 C5 S4 35.3(11) . . ? C8A C5 S4 152.1(13) . . ? S3 C5 S4 81.6(8) . . ? C10 C5 S4 113.6(9) . . ? C2 C5 S4 39.5(5) . . ? S6A C5 S4 71.7(6) . . ? C6 C5 S5B 100.7(15) . 2_656 ? C8A C5 S5B 88.3(13) . 2_656 ? S3 C5 S5B 85.3(9) . 2_656 ? C10 C5 S5B 92.4(9) . 2_656 ? C2 C5 S5B 90.6(8) . 2_656 ? S6A C5 S5B 96.8(7) . 2_656 ? S4 C5 S5B 96.9(7) . 2_656 ? C5 C6 S6A 116.1(17) . . ? C5 C6 S4 118.4(17) . . ? S6A C6 S4 125.1(13) . . ? C5 C6 C8A 34.1(12) . . ? S6A C6 C8A 82.2(9) . . ? S4 C6 C8A 152.6(12) . . ? C5 C6 C10 70.1(14) . . ? S6A C6 C10 46.2(8) . . ? S4 C6 C10 171.1(13) . . ? C8A C6 C10 36.0(7) . . ? C5 C6 C2 75.2(14) . . ? S6A C6 C2 167.7(13) . . ? S4 C6 C2 43.3(7) . . ? C8A C6 C2 109.3(10) . . ? C10 C6 C2 145.2(12) . . ? C5 C6 S3 36.2(11) . . ? S6A C6 S3 152.2(12) . . ? S4 C6 S3 82.3(8) . . ? C8A C6 S3 70.3(7) . . ? C10 C6 S3 106.3(10) . . ? C2 C6 S3 39.0(5) . . ? C5 C6 C4 94.2(15) . 2_666 ? S6A C6 C4 89.8(9) . 2_666 ? S4 C6 C4 91.7(9) . 2_666 ? C8A C6 C4 90.9(9) . 2_666 ? C10 C6 C4 90.1(9) . 2_666 ? C2 C6 C4 94.4(8) . 2_666 ? S3 C6 C4 94.0(7) . 2_666 ? C5 C6 S5A 102.9(15) . 2_656 ? S6A C6 S5A 80.1(8) . 2_656 ? S4 C6 S5A 82.8(8) . 2_656 ? C8A C6 S5A 101.6(8) . 2_656 ? C10 C6 S5A 92.9(8) . 2_656 ? C2 C6 S5A 92.8(7) . 2_656 ? S3 C6 S5A 101.5(6) . 2_656 ? C4 C6 S5A 162.6(8) 2_666 2_656 ? C5 C6 C1 80.9(13) . . ? S6A C6 C1 162.2(11) . . ? S4 C6 C1 37.5(6) . . ? C8A C6 C1 115.1(9) . . ? C10 C6 C1 150.9(10) . . ? C2 C6 C1 5.8(6) . . ? S3 C6 C1 44.8(5) . . ? C4 C6 C1 94.0(7) 2_666 . ? S5A C6 C1 91.6(5) 2_656 . ? C7A C9 S5A 114.8(14) . . ? C7A C9 C4 40.4(9) . . ? S5A C9 C4 75.2(10) . . ? C7A C9 C3 71.3(10) . . ? S5A C9 C3 44.0(7) . . ? C4 C9 C3 31.3(7) . . ? C7A C9 H9A 108.6 . . ? S5A C9 H9A 108.6 . . ? C4 C9 H9A 116.6 . . ? C3 C9 H9A 119.0 . . ? C7A C9 H9B 108.5 . . ? S5A C9 H9B 108.6 . . ? C4 C9 H9B 131.9 . . ? C3 C9 H9B 131.0 . . ? H9A C9 H9B 107.6 . . ? C8A C10 S6A 114.2(14) . . ? C8A C10 C5 38.9(10) . . ? S6A C10 C5 75.4(9) . . ? C8A C10 C6 70.4(12) . . ? S6A C10 C6 43.9(7) . . ? C5 C10 C6 31.6(7) . . ? C8A C10 H10A 108.7 . . ? S6A C10 H10A 108.7 . . ? C5 C10 H10A 125.3 . . ? C6 C10 H10A 124.5 . . ? C8A C10 H10B 108.7 . . ? S6A C10 H10B 108.7 . . ? C5 C10 H10B 122.9 . . ? C6 C10 H10B 125.7 . . ? H10A C10 H10B 107.6 . . ? C11 S7 C12 93.2(10) . . ? C11 S7 C13 67.4(8) . . ? C12 S7 C13 25.8(8) . . ? C11 S7 C11 27.2(10) . 2_665 ? C12 S7 C11 120.2(9) . 2_665 ? C13 S7 C11 94.4(6) . 2_665 ? C11 S7 S8 31.0(7) . . ? C12 S7 S8 62.2(8) . . ? C13 S7 S8 36.4(4) . . ? C11 S7 S8 58.0(4) 2_665 . ? C11 S7 O1 164.1(9) . . ? C12 S7 O1 87.0(8) . . ? C13 S7 O1 111.6(6) . . ? C11 S7 O1 146.9(6) 2_665 . ? S8 S7 O1 144.9(4) . . ? C11 S7 S8 59.0(7) . 2_665 ? C12 S7 S8 152.1(8) . 2_665 ? C13 S7 S8 126.3(5) . 2_665 ? C11 S7 S8 31.9(4) 2_665 2_665 ? S8 S7 S8 89.9(2) . 2_665 ? O1 S7 S8 119.1(4) . 2_665 ? C11 S7 O3 116.1(8) . 1_655 ? C12 S7 O3 148.3(9) . 1_655 ? C13 S7 O3 168.5(7) . 1_655 ? C11 S7 O3 90.3(5) 2_665 1_655 ? S8 S7 O3 146.4(4) . 1_655 ? O1 S7 O3 68.2(5) . 1_655 ? S8 S7 O3 58.8(3) 2_665 1_655 ? C11 S7 O2 118.3(9) . . ? C12 S7 O2 93.4(8) . . ? C13 S7 O2 104.7(6) . . ? C11 S7 O2 109.3(6) 2_665 . ? S8 S7 O2 115.5(4) . . ? O1 S7 O2 45.8(5) . . ? S8 S7 O2 98.3(3) 2_665 . ? O3 S7 O2 83.5(5) 1_655 . ? C11 S8 C13 94.0(11) . . ? C11 S8 C12 66.9(10) . . ? C13 S8 C12 27.0(8) . . ? C11 S8 C11 26.9(13) . 2_665 ? C13 S8 C11 120.6(9) . 2_665 ? C12 S8 C11 93.6(7) . 2_665 ? C11 S8 S7 31.3(8) . . ? C13 S8 S7 62.7(7) . . ? C12 S8 S7 35.7(5) . . ? C11 S8 S7 57.9(5) 2_665 . ? C11 S8 O2 172.5(10) . 2_565 ? C13 S8 O2 90.6(8) . 2_565 ? C12 S8 O2 117.4(6) . 2_565 ? C11 S8 O2 147.4(7) 2_665 2_565 ? S7 S8 O2 152.4(4) . 2_565 ? C11 S8 S9A 120.9(9) . . ? C13 S8 S9A 27.0(7) . . ? C12 S8 S9A 54.0(5) . . ? C11 S8 S9A 147.4(6) 2_665 . ? S7 S8 S9A 89.7(3) . . ? O2 S8 S9A 63.8(4) 2_565 . ? C11 S8 O3 122.6(9) . 2_565 ? C13 S8 O3 141.4(8) . 2_565 ? C12 S8 O3 164.4(6) . 2_565 ? C11 S8 O3 95.8(6) 2_665 2_565 ? S7 S8 O3 151.8(4) . 2_565 ? O2 S8 O3 51.8(5) 2_565 2_565 ? S9A S8 O3 115.2(4) . 2_565 ? C11 S8 S7 58.9(8) . 2_665 ? C13 S8 S7 152.8(8) . 2_665 ? C12 S8 S7 125.8(5) . 2_665 ? C11 S8 S7 32.2(5) 2_665 2_665 ? S7 S8 S7 90.1(2) . 2_665 ? O2 S8 S7 116.2(4) 2_565 2_665 ? S9A S8 S7 178.1(3) . 2_665 ? O3 S8 S7 64.5(3) 2_565 2_665 ? C11 S8 O2 91.3(9) . 1_565 ? C13 S8 O2 68.7(8) . 1_565 ? C12 S8 O2 72.0(6) . 1_565 ? C11 S8 O2 103.7(6) 2_665 1_565 ? S7 S8 O2 81.7(3) . 1_565 ? O2 S8 O2 95.9(5) 2_565 1_565 ? S9A S8 O2 71.6(3) . 1_565 ? O3 S8 O2 117.5(6) 2_565 1_565 ? S7 S8 O2 110.2(3) 2_665 1_565 ? C11 S8 C12 98.2(9) . 2_565 ? C13 S8 C12 86.7(8) . 2_565 ? C12 S8 C12 89.6(6) . 2_565 ? C11 S8 C12 95.2(6) 2_665 2_565 ? S7 S8 C12 94.0(4) . 2_565 ? O2 S8 C12 76.2(5) 2_565 2_565 ? S9A S8 C12 82.9(4) . 2_565 ? O3 S8 C12 77.1(6) 2_565 2_565 ? S7 S8 C12 95.1(4) 2_665 2_565 ? O2 S8 C12 154.2(5) 1_565 2_565 ? C11 S8 Re 147.9(9) . 2_565 ? C13 S8 Re 114.2(7) . 2_565 ? C12 S8 Re 139.4(5) . 2_565 ? C11 S8 Re 122.0(5) 2_665 2_565 ? S7 S8 Re 163.9(3) . 2_565 ? O2 S8 Re 25.4(3) 2_565 2_565 ? S9A S8 Re 88.0(2) . 2_565 ? O3 S8 Re 27.3(3) 2_565 2_565 ? S7 S8 Re 91.68(18) 2_665 2_565 ? O2 S8 Re 112.6(3) 1_565 2_565 ? C12 S8 Re 69.9(4) 2_565 2_565 ? C11 S8 S9A 112.9(8) . 2_575 ? C13 S8 S9A 112.9(8) . 2_575 ? C12 S8 S9A 123.4(5) . 2_575 ? C11 S8 S9A 102.0(5) 2_665 2_575 ? S7 S8 S9A 124.8(3) . 2_575 ? O2 S8 S9A 70.5(4) 2_565 2_575 ? S9A S8 S9A 99.5(3) . 2_575 ? O3 S8 S9A 66.6(5) 2_565 2_575 ? S7 S8 S9A 82.2(2) 2_665 2_575 ? O2 S8 S9A 51.5(3) 1_565 2_575 ? C12 S8 S9A 141.0(4) 2_565 2_575 ? Re S8 S9A 71.33(18) 2_565 2_575 ? C11 S8 C13 80.7(9) . 2_565 ? C13 S8 C13 78.3(9) . 2_565 ? C12 S8 C13 73.9(6) . 2_565 ? C11 S8 C13 84.1(6) 2_665 2_565 ? S7 S8 C13 74.0(4) . 2_565 ? O2 S8 C13 94.4(5) 2_565 2_565 ? S9A S8 C13 83.7(4) . 2_565 ? O3 S8 C13 94.7(6) 2_565 2_565 ? S7 S8 C13 94.4(3) 2_665 2_565 ? O2 S8 C13 145.4(4) 1_565 2_565 ? C12 S8 C13 20.0(4) 2_565 2_565 ? Re S8 C13 89.8(3) 2_565 2_565 ? S9A S8 C13 160.7(4) 2_575 2_565 ? C11 C11 S8 121(2) 2_665 . ? C11 C11 S7 120(2) 2_665 . ? S8 C11 S7 117.7(13) . . ? C11 C11 C12 163(2) 2_665 . ? S8 C11 C12 74.2(9) . . ? S7 C11 C12 43.5(8) . . ? C11 C11 C13 164(2) 2_665 . ? S8 C11 C13 43.9(7) . . ? S7 C11 C13 73.9(9) . . ? C12 C11 C13 30.3(7) . . ? C11 C11 S8 31.8(13) 2_665 2_665 ? S8 C11 S8 153.1(13) . 2_665 ? S7 C11 S8 88.8(8) . 2_665 ? C12 C11 S8 132.3(10) . 2_665 ? C13 C11 S8 162.5(11) . 2_665 ? C11 C11 S7 32.5(14) 2_665 2_665 ? S8 C11 S7 89.2(10) . 2_665 ? S7 C11 S7 152.8(10) . 2_665 ? C12 C11 S7 163.2(10) . 2_665 ? C13 C11 S7 133.0(10) . 2_665 ? S8 C11 S7 64.1(5) 2_665 2_665 ? C11 C11 S9A 79.8(18) 2_665 2_565 ? S8 C11 S9A 95.9(9) . 2_565 ? S7 C11 S9A 85.5(8) . 2_565 ? C12 C11 S9A 91.5(8) . 2_565 ? C13 C11 S9A 94.9(8) . 2_565 ? S8 C11 S9A 81.0(5) 2_665 2_565 ? S7 C11 S9A 87.4(6) 2_665 2_565 ? C11 C11 S9A 77.5(17) 2_665 1_655 ? S8 C11 S9A 95.8(9) . 1_655 ? S7 C11 S9A 105.9(10) . 1_655 ? C12 C11 S9A 110.4(9) . 1_655 ? C13 C11 S9A 107.0(8) . 1_655 ? S8 C11 S9A 79.8(5) 2_665 1_655 ? S7 C11 S9A 73.4(5) 2_665 1_655 ? S9A C11 S9A 157.3(7) 2_565 1_655 ? C13 C12 C14A 115.2(17) . . ? C13 C12 S7 119.6(17) . . ? C14A C12 S7 125.3(15) . . ? C13 C12 C15 73.7(14) . . ? C14A C12 C15 41.8(10) . . ? S7 C12 C15 166.1(15) . . ? C13 C12 C11 76.3(14) . . ? C14A C12 C11 168.5(14) . . ? S7 C12 C11 43.3(7) . . ? C15 C12 C11 149.5(14) . . ? C13 C12 S8 37.5(10) . . ? C14A C12 S8 152.6(13) . . ? S7 C12 S8 82.1(8) . . ? C15 C12 S8 111.0(11) . . ? C11 C12 S8 38.8(6) . . ? C13 C12 S9A 34.8(10) . . ? C14A C12 S9A 80.4(10) . . ? S7 C12 S9A 154.3(12) . . ? C15 C12 S9A 39.2(8) . . ? C11 C12 S9A 111.1(10) . . ? S8 C12 S9A 72.2(6) . . ? C13 C12 O1 164.6(16) . . ? C14A C12 O1 63.2(9) . . ? S7 C12 O1 64.1(8) . . ? C15 C12 O1 104.4(11) . . ? C11 C12 O1 106.0(9) . . ? S8 C12 O1 142.2(8) . . ? S9A C12 O1 139.5(9) . . ? C13 C12 O4 103.4(15) . 1_565 ? C14A C12 O4 73.0(9) . 1_565 ? S7 C12 O4 94.4(9) . 1_565 ? C15 C12 O4 77.4(9) . 1_565 ? C11 C12 O4 104.9(9) . 1_565 ? S8 C12 O4 109.0(8) . 1_565 ? S9A C12 O4 94.9(7) . 1_565 ? O1 C12 O4 90.9(7) . 1_565 ? C13 C12 S8 86.3(14) . 2_565 ? C14A C12 S8 85.7(9) . 2_565 ? S7 C12 S8 97.3(8) . 2_565 ? C15 C12 S8 87.3(9) . 2_565 ? C11 C12 S8 95.9(8) . 2_565 ? S8 C12 S8 90.4(6) . 2_565 ? S9A C12 S8 82.0(6) . 2_565 ? O1 C12 S8 78.4(5) . 2_565 ? O4 C12 S8 158.6(8) 1_565 2_565 ? C13 C12 O2 64.5(13) . 1_565 ? C14A C12 O2 106.4(10) . 1_565 ? S7 C12 O2 96.9(9) . 1_565 ? C15 C12 O2 84.9(10) . 1_565 ? C11 C12 O2 77.5(8) . 1_565 ? S8 C12 O2 66.5(6) . 1_565 ? S9A C12 O2 74.2(6) . 1_565 ? O1 C12 O2 130.9(8) . 1_565 ? O4 C12 O2 43.4(5) 1_565 1_565 ? S8 C12 O2 150.8(7) 2_565 1_565 ? C12 C13 S9A 119.2(16) . . ? C12 C13 S8 115.5(16) . . ? S9A C13 S8 125.3(13) . . ? C12 C13 C15 74.6(14) . . ? S9A C13 C15 45.0(8) . . ? S8 C13 C15 169.3(15) . . ? C12 C13 C14A 36.8(11) . . ? S9A C13 C14A 82.4(8) . . ? S8 C13 C14A 152.3(12) . . ? C15 C13 C14A 38.0(8) . . ? C12 C13 C11 73.4(14) . . ? S9A C13 C11 167.4(13) . . ? S8 C13 C11 42.1(7) . . ? C15 C13 C11 147.6(13) . . ? C14A C13 C11 110.2(10) . . ? C12 C13 S7 34.7(11) . . ? S9A C13 S7 153.8(11) . . ? S8 C13 S7 80.8(8) . . ? C15 C13 S7 109.2(10) . . ? C14A C13 S7 71.5(6) . . ? C11 C13 S7 38.7(6) . . ? C12 C13 O2 95.0(14) . 1_565 ? S9A C13 O2 95.3(10) . 1_565 ? S8 C13 O2 82.5(8) . 1_565 ? C15 C13 O2 93.4(10) . 1_565 ? C14A C13 O2 98.2(8) . 1_565 ? C11 C13 O2 84.3(8) . 1_565 ? S7 C13 O2 90.3(7) . 1_565 ? C12 C13 O2 171.0(16) . 2_565 ? S9A C13 O2 66.4(8) . 2_565 ? S8 C13 O2 59.1(7) . 2_565 ? C15 C13 O2 111.4(10) . 2_565 ? C14A C13 O2 148.1(8) . 2_565 ? C11 C13 O2 101.0(8) . 2_565 ? S7 C13 O2 139.2(7) . 2_565 ? O2 C13 O2 91.3(7) 1_565 2_565 ? C12 C13 S8 73.8(13) . 2_565 ? S9A C13 S8 90.6(8) . 2_565 ? S8 C13 S8 101.7(9) . 2_565 ? C15 C13 S8 84.2(9) . 2_565 ? C14A C13 S8 73.2(6) . 2_565 ? C11 C13 S8 91.9(8) . 2_565 ? S7 C13 S8 80.2(6) . 2_565 ? O2 C13 S8 168.8(8) 1_565 2_565 ? O2 C13 S8 99.7(6) 2_565 2_565 ? C12 C13 C13 85.3(15) . 2_565 ? S9A C13 C13 105.8(11) . 2_565 ? S8 C13 C13 75.4(8) . 2_565 ? C15 C13 C13 110.1(11) . 2_565 ? C14A C13 C13 96.6(9) . 2_565 ? C11 C13 C13 72.4(8) . 2_565 ? S7 C13 C13 76.1(7) . 2_565 ? O2 C13 C13 155.6(9) 1_565 2_565 ? O2 C13 C13 86.3(7) 2_565 2_565 ? S8 C13 C13 26.3(4) 2_565 2_565 ? C14A C15 S9A 119.6(17) . . ? C14A C15 C13 75.4(12) . . ? S9A C15 C13 45.4(9) . . ? C14A C15 C12 43.8(9) . . ? S9A C15 C12 76.9(11) . . ? C13 C15 C12 31.7(8) . . ? C14A C15 H15A 107.4 . . ? S9A C15 H15A 107.5 . . ? C13 C15 H15A 114.9 . . ? C12 C15 H15A 115.1 . . ? C14A C15 H15B 107.4 . . ? S9A C15 H15B 107.4 . . ? C13 C15 H15B 135.2 . . ? C12 C15 H15B 134.3 . . ? H15A C15 H15B 107.0 . . ? C3 S5A C9 92.1(11) . . ? C3 S5A C4 27.1(9) . . ? C9 S5A C4 65.0(9) . . ? C3 S5A C7A 60.7(8) . . ? C9 S5A C7A 31.8(8) . . ? C4 S5A C7A 33.7(6) . . ? C3 S5A S1 27.6(8) . . ? C9 S5A S1 119.6(8) . . ? C4 S5A S1 54.7(5) . . ? C7A S5A S1 88.3(3) . . ? C3 S5A S2 92.8(8) . 1_455 ? C9 S5A S2 171.7(10) . 1_455 ? C4 S5A S2 119.6(6) . 1_455 ? C7A S5A S2 151.1(4) . 1_455 ? S1 S5A S2 65.7(2) . 1_455 ? C3 S5A O4 164.6(9) . 2_556 ? C9 S5A O4 76.8(9) . 2_556 ? C4 S5A O4 140.6(7) . 2_556 ? C7A S5A O4 108.6(5) . 2_556 ? S1 S5A O4 159.6(5) . 2_556 ? S2 S5A O4 99.5(4) 1_455 2_556 ? C3 S5A C7A 140.4(8) . 1_455 ? C9 S5A C7A 126.1(9) . 1_455 ? C4 S5A C7A 164.9(6) . 1_455 ? C7A S5A C7A 154.2(5) . 1_455 ? S1 S5A C7A 113.7(3) . 1_455 ? S2 S5A C7A 48.0(2) 1_455 1_455 ? O4 S5A C7A 53.5(4) 2_556 1_455 ? C3 S5A C6 83.3(8) . 2_656 ? C9 S5A C6 82.5(11) . 2_656 ? C4 S5A C6 79.9(6) . 2_656 ? C7A S5A C6 75.3(5) . 2_656 ? S1 S5A C6 89.6(4) . 2_656 ? S2 S5A C6 91.4(4) 1_455 2_656 ? O4 S5A C6 105.4(6) 2_556 2_656 ? C7A S5A C6 91.0(5) 1_455 2_656 ? C3 S5A S6A 109.5(8) . 2_656 ? C9 S5A S6A 81.3(10) . 2_656 ? C4 S5A S6A 103.0(6) . 2_656 ? C7A S5A S6A 88.1(4) . 2_656 ? S1 S5A S6A 113.1(3) . 2_656 ? S2 S5A S6A 90.7(3) 1_455 2_656 ? O4 S5A S6A 79.7(5) 2_556 2_656 ? C7A S5A S6A 71.4(3) 1_455 2_656 ? C6 S5A S6A 26.3(3) 2_656 2_656 ? C3 S5A S3 79.8(8) . 2_566 ? C9 S5A S3 121.0(11) . 2_566 ? C4 S5A S3 94.7(6) . 2_566 ? C7A S5A S3 115.0(4) . 2_566 ? S1 S5A S3 65.1(2) . 2_566 ? S2 S5A S3 66.61(19) 1_455 2_566 ? O4 S5A S3 96.6(4) 2_556 2_566 ? C7A S5A S3 87.5(3) 1_455 2_566 ? C6 S5A S3 151.3(4) 2_656 2_566 ? S6A S5A S3 156.3(3) 2_656 2_566 ? C4 C7A C9 97.4(14) . . ? C4 C7A C3 28.1(10) . . ? C9 C7A C3 69.9(11) . . ? C4 C7A S5A 64.9(10) . . ? C9 C7A S5A 33.4(9) . . ? C3 C7A S5A 36.9(5) . . ? C4 C7A S2 28.9(9) . . ? C9 C7A S2 126.3(11) . . ? C3 C7A S2 56.7(5) . . ? S5A C7A S2 93.6(4) . . ? C4 C7A H7A1 112.3 . . ? C9 C7A H7A1 112.3 . . ? C3 C7A H7A1 127.7 . . ? S5A C7A H7A1 130.1 . . ? S2 C7A H7A1 96.1 . . ? C4 C7A H7A2 112.3 . . ? C9 C7A H7A2 112.3 . . ? C3 C7A H7A2 117.1 . . ? S5A C7A H7A2 116.9 . . ? S2 C7A H7A2 98.0 . . ? H7A1 C7A H7A2 109.9 . . ? C6 S6A C10 90.0(11) . . ? C6 S6A C5 27.3(9) . . ? C10 S6A C5 62.7(9) . . ? C6 S6A C8A 60.1(8) . . ? C10 S6A C8A 29.9(8) . . ? C5 S6A C8A 32.8(6) . . ? C6 S6A S4 27.5(7) . . ? C10 S6A S4 117.5(8) . . ? C5 S6A S4 54.8(5) . . ? C8A S6A S4 87.6(4) . . ? C6 S6A S3 90.8(8) . 1_655 ? C10 S6A S3 165.4(9) . 1_655 ? C5 S6A S3 117.7(5) . 1_655 ? C8A S6A S3 148.0(4) . 1_655 ? S4 S6A S3 64.55(19) . 1_655 ? C6 S6A C8A 136.9(8) . 1_655 ? C10 S6A C8A 128.4(9) . 1_655 ? C5 S6A C8A 160.5(7) . 1_655 ? C8A S6A C8A 154.7(7) . 1_655 ? S4 S6A C8A 111.5(3) . 1_655 ? S3 S6A C8A 47.0(3) 1_655 1_655 ? C6 S6A O1 154.0(9) . 1_655 ? C10 S6A O1 97.2(8) . 1_655 ? C5 S6A O1 147.2(7) . 1_655 ? C8A S6A O1 123.5(5) . 1_655 ? S4 S6A O1 137.0(4) . 1_655 ? S3 S6A O1 88.4(3) 1_655 1_655 ? C8A S6A O1 52.2(4) 1_655 1_655 ? C6 S6A S5A 73.7(8) . 2_656 ? C10 S6A S5A 103.3(9) . 2_656 ? C5 S6A S5A 79.8(5) . 2_656 ? C8A S6A S5A 92.9(5) . 2_656 ? S4 S6A S5A 68.1(2) . 2_656 ? S3 S6A S5A 90.9(2) 1_655 2_656 ? C8A S6A S5A 109.2(4) 1_655 2_656 ? O1 S6A S5A 80.3(4) 1_655 2_656 ? C6 S6A O3 125.2(8) . 1_655 ? C10 S6A O3 60.1(8) . 1_655 ? C5 S6A O3 105.2(6) . 1_655 ? C8A S6A O3 81.4(5) . 1_655 ? S4 S6A O3 136.9(4) . 1_655 ? S3 S6A O3 129.6(3) 1_655 1_655 ? C8A S6A O3 94.2(4) 1_655 1_655 ? O1 S6A O3 43.2(4) 1_655 1_655 ? S5A S6A O3 71.0(4) 2_656 1_655 ? C5 C8A C10 102.5(16) . . ? C5 C8A C6 29.1(9) . . ? C10 C8A C6 73.6(12) . . ? C5 C8A S6A 66.7(10) . . ? C10 C8A S6A 35.9(9) . . ? C6 C8A S6A 37.7(6) . . ? C5 C8A S3 28.7(8) . . ? C10 C8A S3 131.2(13) . . ? C6 C8A S3 57.7(6) . . ? S6A C8A S3 95.3(6) . . ? C5 C8A H8A1 111.2 . . ? C10 C8A H8A1 111.2 . . ? C6 C8A H8A1 120.0 . . ? S6A C8A H8A1 122.9 . . ? S3 C8A H8A1 96.2 . . ? C5 C8A H8A2 111.3 . . ? C10 C8A H8A2 111.3 . . ? C6 C8A H8A2 124.8 . . ? S6A C8A H8A2 125.1 . . ? S3 C8A H8A2 95.4 . . ? H8A1 C8A H8A2 109.2 . . ? C13 S9A C15 89.6(12) . . ? C13 S9A C12 26.0(8) . . ? C15 S9A C12 63.9(10) . . ? C13 S9A C14A 61.3(8) . . ? C15 S9A C14A 29.3(9) . . ? C12 S9A C14A 35.3(5) . . ? C13 S9A S8 27.8(7) . . ? C15 S9A S8 117.2(9) . . ? C12 S9A S8 53.8(5) . . ? C14A S9A S8 89.1(3) . . ? C13 S9A O2 84.4(8) . 2_565 ? C15 S9A O2 173.8(10) . 2_565 ? C12 S9A O2 110.2(6) . 2_565 ? C14A S9A O2 145.1(4) . 2_565 ? S8 S9A O2 56.7(3) . 2_565 ? C13 S9A O2 162.2(9) . 1_465 ? C15 S9A O2 73.0(10) . 1_465 ? C12 S9A O2 136.1(7) . 1_465 ? C14A S9A O2 100.9(5) . 1_465 ? S8 S9A O2 169.8(5) . 1_465 ? O2 S9A O2 113.1(4) 2_565 1_465 ? C13 S9A S9A 142.0(9) . 2_475 ? C15 S9A S9A 128.3(10) . 2_475 ? C12 S9A S9A 166.3(7) . 2_475 ? C14A S9A S9A 155.2(5) . 2_475 ? S8 S9A S9A 114.5(4) . 2_475 ? O2 S9A S9A 57.8(4) 2_565 2_475 ? O2 S9A S9A 55.3(4) 1_465 2_475 ? C13 S9A C11 85.3(9) . 2_565 ? C15 S9A C11 94.3(12) . 2_565 ? C12 S9A C11 83.6(6) . 2_565 ? C14A S9A C11 84.4(5) . 2_565 ? S8 S9A C11 86.6(4) . 2_565 ? O2 S9A C11 86.7(5) 2_565 2_565 ? O2 S9A C11 92.1(5) 1_465 2_565 ? S9A S9A C11 88.9(4) 2_475 2_565 ? C13 S9A C11 105.3(9) . 1_455 ? C15 S9A C11 83.9(11) . 1_455 ? C12 S9A C11 97.1(6) . 1_455 ? C14A S9A C11 85.1(5) . 1_455 ? S8 S9A C11 109.3(4) . 1_455 ? O2 S9A C11 99.0(5) 2_565 1_455 ? O2 S9A C11 69.8(5) 1_465 1_455 ? S9A S9A C11 79.8(4) 2_475 1_455 ? C11 S9A C11 22.7(7) 2_565 1_455 ? C13 S9A S8 95.9(8) . 2_575 ? C15 S9A S8 117.5(11) . 2_575 ? C12 S9A S8 110.8(5) . 2_575 ? C14A S9A S8 124.0(4) . 2_575 ? S8 S9A S8 80.5(3) . 2_575 ? O2 S9A S8 62.0(4) 2_565 2_575 ? O2 S9A S8 95.5(4) 1_465 2_575 ? S9A S9A S8 70.6(3) 2_475 2_575 ? C11 S9A S8 148.2(5) 2_565 2_575 ? C11 S9A S8 150.1(4) 1_455 2_575 ? C13 S9A O3 93.9(8) . 1_565 ? C15 S9A O3 66.6(11) . 1_565 ? C12 S9A O3 87.4(6) . 1_565 ? C14A S9A O3 78.5(5) . 1_565 ? S8 S9A O3 101.6(4) . 1_565 ? O2 S9A O3 112.4(5) 2_565 1_565 ? O2 S9A O3 82.8(4) 1_465 1_565 ? S9A S9A O3 103.0(4) 2_475 1_565 ? C11 S9A O3 160.8(6) 2_565 1_565 ? C11 S9A O3 144.6(5) 1_455 1_565 ? S8 S9A O3 51.0(4) 2_575 1_565 ? C15 C14A C12 94.4(15) . . ? C15 C14A C13 66.6(12) . . ? C12 C14A C13 28.0(9) . . ? C15 C14A S9A 31.1(10) . . ? C12 C14A S9A 64.3(9) . . ? C13 C14A S9A 36.3(5) . . ? C15 C14A H14A 112.9 . . ? C12 C14A H14A 112.8 . . ? C13 C14A H14A 119.4 . . ? S9A C14A H14A 116.0 . . ? C15 C14A H14B 112.9 . . ? C12 C14A H14B 112.9 . . ? C13 C14A H14B 125.8 . . ? S9A C14A H14B 130.3 . . ? H14A C14A H14B 110.3 . . ? loop_ _geom_hbond_atom_site_label_D _geom_hbond_atom_site_label_H _geom_hbond_atom_site_label_A _geom_hbond_distance_DH _geom_hbond_distance_HA _geom_hbond_distance_DA _geom_hbond_angle_DHA _geom_hbond_site_symmetry_A C8A H8A1 O4 0.97 2.55 3.27(3) 131.1 1_565 _diffrn_measured_fraction_theta_max 0.707 _diffrn_reflns_theta_full 23.25 _diffrn_measured_fraction_theta_full 0.707 _refine_diff_density_max 1.588 _refine_diff_density_min -1.274 _refine_diff_density_rms 0.228 data_3 _database_code_CSD 164145 _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_formula_moiety ? _chemical_formula_sum 'C98 H88 O18 Re4 S54' _chemical_formula_weight 4029.72 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source 'Re' 'Re' -1.0185 7.2310 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'S' 'S' 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'O' 'O' 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' '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' _symmetry_cell_setting ? _symmetry_space_group_name_H-M 'P-1' loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, -z' _cell_length_a 10.993(3) _cell_length_b 19.292(4) _cell_length_c 17.713(4) _cell_angle_alpha 120.96(2) _cell_angle_beta 89.76(3) _cell_angle_gamma 91.88(3) _cell_volume 3219.2(13) _cell_formula_units_Z 1 _cell_measurement_temperature 293(2) _cell_measurement_reflns_used ? _cell_measurement_theta_min ? _cell_measurement_theta_max ? _exptl_crystal_description 'rulers' _exptl_crystal_colour 'dark brown' _exptl_crystal_size_max 0.18 _exptl_crystal_size_mid 0.05 _exptl_crystal_size_min 0.02 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 2.079 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 1984 _exptl_absorpt_coefficient_mu 4.687 _exptl_absorpt_correction_type ? _exptl_absorpt_correction_T_min ? _exptl_absorpt_correction_T_max ? _exptl_special_details ; ? ; _diffrn_ambient_temperature 293(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type ? _diffrn_measurement_method ? _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 3528 _diffrn_reflns_av_R_equivalents 0.0432 _diffrn_reflns_av_sigmaI/netI 0.0864 _diffrn_reflns_limit_h_min -12 _diffrn_reflns_limit_h_max 11 _diffrn_reflns_limit_k_min -22 _diffrn_reflns_limit_k_max 18 _diffrn_reflns_limit_l_min 0 _diffrn_reflns_limit_l_max 20 _diffrn_reflns_theta_min 2.11 _diffrn_reflns_theta_max 23.98 _reflns_number_total 3230 _reflns_number_gt 3173 _reflns_threshold_expression >2sigma(I) _computing_data_collection ? _computing_cell_refinement ? _computing_data_reduction ? _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics ? _computing_publication_material ? _refine_special_details ; Refinement of F^2^ against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F^2^, conventional R-factors R are based on F, with F set to zero for negative F^2^. The threshold expression of F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F^2^ are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. ; _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme 'calc w=1/[\s^2^(Fo^2^)+(0.0550P)^2^+3.0044P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment mixed _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 3230 _refine_ls_number_parameters 489 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0629 _refine_ls_R_factor_gt 0.0610 _refine_ls_wR_factor_ref 0.1223 _refine_ls_wR_factor_gt 0.1211 _refine_ls_goodness_of_fit_ref 1.098 _refine_ls_restrained_S_all 1.098 _refine_ls_shift/su_max 0.152 _refine_ls_shift/su_mean 0.016 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_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group S1 S 0.0197(9) -0.0691(5) 0.5659(5) 0.037(3) Uani 1 d . . . S2 S 0.0342(9) 0.1061(5) 0.6305(5) 0.036(3) Uani 1 d . . . C1 C 0.012(3) 0.0091(15) 0.5411(15) 0.024(7) Uiso 1 d . . . C2 C 0.047(3) -0.0030(17) 0.6760(18) 0.035(9) Uiso 1 d . . . C3 C 0.050(3) 0.0771(16) 0.7089(16) 0.025(7) Uiso 1 d . . . C5 C 0.087(3) 0.0708(18) 0.838(2) 0.053(10) Uiso 1 d . . . H5A H 0.0374 0.0829 0.8884 0.064 Uiso 1 calc R A 1 H5B H 0.1711 0.0757 0.8557 0.064 Uiso 1 calc R A 1 S4 S 0.3231(9) -0.0936(5) 0.4341(5) 0.037(3) Uani 1 d . . . S5 S 0.3325(10) 0.0830(5) 0.5005(5) 0.042(3) Uani 1 d . . . S6 S 0.3661(9) -0.0580(5) 0.6290(5) 0.036(3) Uani 1 d . . . S7 S 0.3728(9) 0.1181(5) 0.6992(5) 0.035(3) Uani 1 d . . . C6 C 0.338(3) 0.0049(16) 0.5246(17) 0.031(8) Uiso 1 d . . . C7 C 0.360(3) 0.0214(17) 0.6078(18) 0.036(9) Uiso 1 d . . . C8 C 0.301(3) -0.0644(17) 0.3566(17) 0.033(8) Uiso 1 d . . . C9 C 0.305(3) 0.0149(16) 0.3906(17) 0.032(8) Uiso 1 d . . . C10 C 0.392(3) 0.0037(18) 0.7414(19) 0.042(9) Uiso 1 d . . . C11 C 0.392(3) 0.0867(19) 0.7753(19) 0.044(9) Uiso 1 d . . . C14 C 0.277(3) -0.0557(17) 0.2270(19) 0.047(9) Uiso 1 d . . . H14A H 0.2017 -0.0637 0.1944 0.056 Uiso 1 calc R B 1 H14B H 0.3436 -0.0654 0.1872 0.056 Uiso 1 calc R B 1 C15 C 0.409(3) 0.063(2) 0.898(2) 0.063(11) Uiso 1 d . . . H15A H 0.4767 0.0675 0.9356 0.076 Uiso 1 calc R C 1 H15B H 0.3349 0.0659 0.9288 0.076 Uiso 1 calc R C 1 S10 S -0.1202(9) 0.4098(5) 0.4784(6) 0.041(3) Uani 1 d . . . S11 S -0.1353(9) 0.2341(5) 0.4151(5) 0.038(3) Uani 1 d . . . S12 S -0.0822(9) 0.4489(5) 0.6773(5) 0.040(3) Uani 1 d . . . S13 S -0.0926(9) 0.2743(5) 0.6129(5) 0.036(3) Uani 1 d . . . C16 C -0.114(3) 0.3337(14) 0.5033(16) 0.022(7) Uiso 1 d . . . C17 C -0.098(2) 0.3487(14) 0.5870(15) 0.016(6) Uiso 1 d . . . C18 C -0.151(2) 0.3407(14) 0.3630(15) 0.017(7) Uiso 1 d . . . C19 C -0.156(3) 0.2640(16) 0.3399(16) 0.027(7) Uiso 1 d . . . C20 C -0.067(3) 0.4205(15) 0.7524(15) 0.024(7) Uiso 1 d . . . C21 C -0.072(2) 0.3413(14) 0.7249(14) 0.016(6) Uiso 1 d . . . C24 C -0.192(3) 0.2695(18) 0.209(2) 0.054(10) Uiso 1 d . . . H24A H -0.2744 0.2641 0.1867 0.065 Uiso 1 calc R D 1 H24B H -0.1377 0.2572 0.1603 0.065 Uiso 1 calc R D 1 C25 C -0.043(3) 0.4184(16) 0.8915(17) 0.039(8) Uiso 1 d . . . H25A H -0.1092 0.4280 0.9317 0.047 Uiso 1 calc R E 1 H25B H 0.0330 0.4293 0.9241 0.047 Uiso 1 calc R E 1 S16 S 0.4224(9) 0.5615(5) 0.3890(5) 0.034(3) Uani 1 d . . . S17 S 0.4395(9) 0.7354(5) 0.4512(5) 0.037(3) Uani 1 d . . . S18 S 0.4752(9) 0.6015(5) 0.5876(5) 0.039(3) Uani 1 d . . . S19 S 0.4941(9) 0.7763(5) 0.6480(5) 0.037(3) Uani 1 d . . . C26 C 0.448(3) 0.6599(16) 0.4762(17) 0.033(8) Uiso 1 d . . . C27 C 0.465(2) 0.6763(14) 0.5576(15) 0.021(7) Uiso 1 d . . . C28 C 0.410(3) 0.5879(16) 0.3107(17) 0.033(8) Uiso 1 d . . . C29 C 0.417(3) 0.6702(19) 0.3404(19) 0.046(9) Uiso 1 d . . . C30 C 0.504(3) 0.6715(15) 0.6986(15) 0.023(7) Uiso 1 d . . . C31 C 0.510(3) 0.7495(16) 0.7273(17) 0.033(8) Uiso 1 d . . . C34 C 0.386(3) 0.5962(18) 0.180(2) 0.059(10) Uiso 1 d . . . H34A H 0.3057 0.5913 0.1541 0.070 Uiso 1 calc R F 1 H34B H 0.4445 0.5853 0.1342 0.070 Uiso 1 calc R F 1 C35 C 0.541(3) 0.7500(15) 0.8620(17) 0.034(8) Uiso 1 d . . . H35A H 0.4798 0.7643 0.9069 0.041 Uiso 1 calc R G 1 H35B H 0.6201 0.7579 0.8896 0.041 Uiso 1 calc R G 1 S22 S 0.2244(9) 0.4240(5) 0.5483(5) 0.036(3) Uani 1 d . . . S23 S 0.2108(9) 0.2495(4) 0.4878(5) 0.035(3) Uani 1 d . . . S24 S 0.1781(9) 0.3828(4) 0.3508(5) 0.034(2) Uani 1 d . . . S25 S 0.1693(8) 0.2076(4) 0.2876(5) 0.032(2) Uani 1 d . . . C36 C 0.205(3) 0.3257(16) 0.4625(17) 0.035(8) Uiso 1 d . . . C37 C 0.186(3) 0.3054(15) 0.3743(16) 0.026(7) Uiso 1 d . . . C38 C 0.242(3) 0.3973(15) 0.6272(16) 0.027(7) Uiso 1 d . . . C39 C 0.237(3) 0.3176(16) 0.5981(16) 0.028(7) Uiso 1 d . . . C40 C 0.150(3) 0.3162(17) 0.2364(17) 0.035(8) Uiso 1 d . . . C41 C 0.145(3) 0.2368(15) 0.2103(16) 0.026(7) Uiso 1 d . . . C44 C 0.265(3) 0.3913(16) 0.7601(18) 0.043(8) Uiso 1 d . . . H44A H 0.1995 0.4004 0.8007 0.051 Uiso 1 calc R H 1 H44B H 0.3408 0.3996 0.7920 0.051 Uiso 1 calc R H 1 C45 C 0.115(3) 0.2424(19) 0.079(2) 0.058(11) Uiso 1 d . . . H45A H 0.0363 0.2357 0.0512 0.070 Uiso 1 calc R I 1 H45B H 0.1764 0.2328 0.0355 0.070 Uiso 1 calc R I 1 S3A S 0.0549(10) -0.0308(6) 0.7556(6) 0.051(3) Uiso 0.80 d P . 1 C4A C 0.0641(19) 0.1388(11) 0.8132(12) 0.040(6) Uiso 0.80 d P . 1 H4A1 H -0.0094 0.1680 0.8390 0.049 Uiso 0.80 calc PR . 1 H4A2 H 0.1332 0.1765 0.8286 0.049 Uiso 0.80 calc PR . 1 C4B C 0.0549(10) -0.0308(6) 0.7556(6) 0.051(3) Uiso 0.20 d P . 2 H4B1 H -0.0214 -0.0526 0.7637 0.061 Uiso 0.20 calc PR . 2 H4B2 H 0.1210 -0.0663 0.7466 0.061 Uiso 0.20 calc PR . 2 S3B S 0.0641(19) 0.1388(11) 0.8132(12) 0.040(6) Uiso 0.20 d P . 2 S8A S 0.2879(10) 0.0425(6) 0.3109(6) 0.042(3) Uiso 0.70 d P . 1 C12A C 0.2784(17) -0.1227(10) 0.2565(11) 0.049(5) Uiso 0.70 d P . 1 H12A H 0.2014 -0.1528 0.2440 0.059 Uiso 0.70 calc PR . 1 H12B H 0.3440 -0.1598 0.2293 0.059 Uiso 0.70 calc PR . 1 C12B C 0.2879(10) 0.0425(6) 0.3109(6) 0.042(3) Uiso 0.30 d P . 2 H12C H 0.2146 0.0718 0.3182 0.050 Uiso 0.30 calc PR . 2 H12D H 0.3586 0.0717 0.3069 0.050 Uiso 0.30 calc PR . 2 S8B S 0.2784(17) -0.1227(10) 0.2565(11) 0.049(5) Uiso 0.30 d P . 2 S9A S 0.4186(11) 0.1455(7) 0.8839(8) 0.046(3) Uiso 0.60 d P . 1 C13A C 0.4111(15) -0.0263(9) 0.8104(10) 0.050(5) Uiso 0.60 d P . 1 H13A H 0.4882 -0.0520 0.8031 0.060 Uiso 0.60 calc PR . 1 H13B H 0.3447 -0.0616 0.8083 0.060 Uiso 0.60 calc PR . 1 C13B C 0.4186(11) 0.1455(7) 0.8839(8) 0.046(3) Uiso 0.40 d P . 2 H13C H 0.3557 0.1841 0.9146 0.055 Uiso 0.40 calc PR . 2 H13D H 0.4984 0.1725 0.8982 0.055 Uiso 0.40 calc PR . 2 S9B S 0.4111(15) -0.0263(9) 0.8104(10) 0.050(5) Uiso 0.40 d P . 2 S14A S -0.1645(9) 0.3709(5) 0.2900(6) 0.040(3) Uiso 0.80 d P . 1 C22A C -0.177(2) 0.2034(12) 0.2335(13) 0.053(6) Uiso 0.80 d P . 1 H22A H -0.1075 0.1705 0.2055 0.064 Uiso 0.80 calc PR . 1 H22B H -0.2499 0.1690 0.2199 0.064 Uiso 0.80 calc PR . 1 C22B C -0.1645(9) 0.3709(5) 0.2900(6) 0.040(3) Uiso 0.20 d P . 2 H22C H -0.0902 0.3947 0.2819 0.048 Uiso 0.20 calc PR . 2 H22D H -0.2331 0.4050 0.3004 0.048 Uiso 0.20 calc PR . 2 S14B S -0.177(2) 0.2034(12) 0.2335(13) 0.053(6) Uiso 0.20 d P . 2 S15A S -0.0507(9) 0.3143(5) 0.8035(6) 0.048(3) Uiso 0.90 d P . 1 C23A C -0.051(2) 0.4787(14) 0.8553(15) 0.050(7) Uiso 0.90 d P . 1 H23A H 0.0226 0.5123 0.8694 0.059 Uiso 0.90 calc PR . 1 H23B H -0.1201 0.5132 0.8798 0.059 Uiso 0.90 calc PR . 1 C23B C -0.0507(9) 0.3143(5) 0.8035(6) 0.048(3) Uiso 0.10 d P . 2 H23C H 0.0244 0.2865 0.7962 0.057 Uiso 0.10 calc PR . 2 H23D H -0.1194 0.2837 0.8078 0.057 Uiso 0.10 calc PR . 2 S15B S -0.051(2) 0.4787(14) 0.8553(15) 0.050(7) Uiso 0.10 d P . 2 S20A S 0.4091(12) 0.6959(7) 0.2628(7) 0.049(3) Uiso 0.60 d P . 1 C32A C 0.3938(14) 0.5252(8) 0.2022(8) 0.039(4) Uiso 0.60 d P . 1 H32A H 0.4638 0.4919 0.1760 0.047 Uiso 0.60 calc PR . 1 H32B H 0.3199 0.4915 0.1863 0.047 Uiso 0.60 calc PR . 1 C32B C 0.4091(12) 0.6959(7) 0.2628(7) 0.049(3) Uiso 0.40 d P . 2 H32C H 0.4842 0.7205 0.2570 0.058 Uiso 0.40 calc PR . 2 H32D H 0.3408 0.7294 0.2704 0.058 Uiso 0.40 calc PR . 2 S20B S 0.3938(14) 0.5252(8) 0.2022(8) 0.039(4) Uiso 0.40 d P . 2 S21A S 0.5184(9) 0.6450(5) 0.7785(5) 0.037(2) Uiso 0.90 d P . 1 C33A C 0.533(2) 0.8064(13) 0.8252(14) 0.040(7) Uiso 0.90 d P . 1 H33A H 0.4665 0.8430 0.8517 0.048 Uiso 0.90 calc PR . 1 H33B H 0.6082 0.8378 0.8359 0.048 Uiso 0.90 calc PR . 1 C33B C 0.5184(9) 0.6450(5) 0.7785(5) 0.037(2) Uiso 0.10 d P . 2 H33C H 0.5885 0.6128 0.7706 0.044 Uiso 0.10 calc PR . 2 H33D H 0.4451 0.6200 0.7861 0.044 Uiso 0.10 calc PR . 2 S21B S 0.533(2) 0.8064(13) 0.8252(14) 0.040(7) Uiso 0.10 d P . 2 S26A S 0.2544(11) 0.2901(7) 0.6765(7) 0.045(3) Uiso 0.70 d P . 1 C42A C 0.2602(16) 0.4636(9) 0.7335(10) 0.035(4) Uiso 0.70 d P . 1 H42A H 0.1914 0.4983 0.7587 0.042 Uiso 0.70 calc PR . 1 H42B H 0.3354 0.4958 0.7474 0.042 Uiso 0.70 calc PR . 1 C42B C 0.2544(11) 0.2901(7) 0.6765(7) 0.045(3) Uiso 0.30 d P . 2 H42C H 0.3280 0.2611 0.6697 0.054 Uiso 0.30 calc PR . 2 H42D H 0.1838 0.2610 0.6810 0.054 Uiso 0.30 calc PR . 2 S26B S 0.2602(16) 0.4636(9) 0.7335(10) 0.035(4) Uiso 0.30 d P . 2 S27A S 0.1325(11) 0.3427(6) 0.1640(7) 0.048(3) Uiso 0.70 d P . 1 C43A C 0.1243(17) 0.1728(10) 0.1040(11) 0.047(5) Uiso 0.70 d P . 1 H43A H 0.1930 0.1385 0.0769 0.056 Uiso 0.70 calc PR . 1 H43B H 0.0498 0.1400 0.0908 0.056 Uiso 0.70 calc PR . 1 C43B C 0.1325(11) 0.3427(6) 0.1640(7) 0.048(3) Uiso 0.30 d P . 2 H43C H 0.2037 0.3704 0.1580 0.057 Uiso 0.30 calc PR . 2 H43D H 0.0604 0.3737 0.1733 0.057 Uiso 0.30 calc PR . 2 S27B S 0.1243(17) 0.1728(10) 0.1040(11) 0.047(5) Uiso 0.30 d P . 2 Re1 Re 0.21515(14) -0.04425(8) 0.01380(8) 0.0386(5) Uani 1 d . . . Re2 Re 0.29266(15) 0.35120(8) -0.03941(8) 0.0440(5) Uani 1 d . . . O1 O 0.121(3) -0.1167(16) 0.0164(19) 0.101(10) Uani 1 d . . . O2 O 0.234(2) 0.0339(13) 0.1170(14) 0.077(8) Uani 1 d . . . O3 O 0.148(3) -0.0142(15) -0.0517(16) 0.076(9) Uani 1 d . . . O4 O 0.348(3) -0.081(2) -0.027(2) 0.128(13) Uani 1 d . . . O5 O 0.367(3) 0.3352(17) 0.0340(17) 0.088(11) Uani 1 d . . . O6 O 0.144(2) 0.3339(18) -0.0357(17) 0.089(10) Uani 1 d . . . O7 O 0.340(2) 0.2881(14) -0.1420(15) 0.073(8) Uani 1 d . . . O8 O 0.310(4) 0.4498(14) -0.009(2) 0.186(19) Uani 1 d . . . O O 0.213(3) 0.5817(18) -0.0634(18) 0.103(9) Uiso 1 d . . . C46 C 0.223(5) 0.721(3) 0.027(3) 0.106(17) Uiso 1 d . . . H46A H 0.1700 0.7406 0.0772 0.128 Uiso 1 calc R . . H46B H 0.2434 0.7654 0.0172 0.128 Uiso 1 calc R . . C47 C 0.334(4) 0.687(3) 0.040(3) 0.092(15) Uiso 1 d . . . H47A H 0.4050 0.7205 0.0456 0.110 Uiso 1 calc R . . H47B H 0.3273 0.6834 0.0923 0.110 Uiso 1 calc R . . C48 C 0.341(4) 0.605(3) -0.041(3) 0.109(16) Uiso 1 d . . . H48A H 0.3812 0.5679 -0.0275 0.131 Uiso 1 calc R . . H48B H 0.3845 0.6068 -0.0873 0.131 Uiso 1 calc R . . C49 C 0.170(4) 0.657(2) -0.046(3) 0.093(14) Uiso 1 d . . . H49A H 0.1867 0.6632 -0.0964 0.112 Uiso 1 calc R . . H49B H 0.0828 0.6580 -0.0384 0.112 Uiso 1 calc R . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 S1 0.063(7) 0.023(4) 0.034(5) 0.021(4) 0.003(5) 0.008(5) S2 0.055(7) 0.020(4) 0.033(5) 0.014(4) -0.003(5) -0.002(4) S4 0.054(7) 0.025(5) 0.030(5) 0.013(4) -0.005(4) 0.003(5) S5 0.074(8) 0.018(4) 0.027(4) 0.007(4) -0.005(5) -0.002(5) S6 0.052(7) 0.028(5) 0.035(5) 0.021(4) -0.009(5) -0.001(5) S7 0.052(7) 0.022(4) 0.028(4) 0.010(4) -0.006(4) 0.001(4) S10 0.058(7) 0.027(5) 0.034(5) 0.013(4) -0.003(5) 0.004(5) S11 0.056(7) 0.023(5) 0.029(5) 0.009(4) -0.006(5) 0.000(5) S12 0.063(7) 0.024(4) 0.031(4) 0.014(4) -0.010(5) -0.004(5) S13 0.051(7) 0.028(5) 0.029(4) 0.014(4) -0.002(4) 0.009(5) S16 0.054(7) 0.021(4) 0.026(4) 0.010(4) -0.004(4) -0.001(4) S17 0.061(7) 0.022(5) 0.031(4) 0.015(4) -0.008(5) -0.004(5) S18 0.064(7) 0.028(5) 0.026(4) 0.015(4) -0.006(5) -0.002(5) S19 0.058(7) 0.027(4) 0.026(4) 0.015(4) -0.001(4) 0.006(5) S22 0.065(7) 0.021(4) 0.029(4) 0.017(4) -0.001(5) 0.006(5) S23 0.061(7) 0.018(4) 0.030(4) 0.014(4) 0.000(5) 0.000(4) S24 0.061(7) 0.019(4) 0.022(4) 0.012(3) -0.004(4) -0.001(4) S25 0.048(6) 0.023(4) 0.026(4) 0.014(4) -0.006(4) 0.002(4) Re1 0.0442(12) 0.0370(9) 0.0333(10) 0.0170(8) 0.0012(9) 0.0021(9) Re2 0.0696(15) 0.0312(9) 0.0296(9) 0.0143(8) 0.0031(9) 0.0067(9) O1 0.10(2) 0.10(2) 0.15(3) 0.10(2) -0.04(2) -0.033(18) O2 0.11(2) 0.066(16) 0.051(14) 0.028(13) -0.020(15) -0.021(16) O3 0.10(2) 0.077(18) 0.071(18) 0.052(16) -0.052(16) -0.044(16) O4 0.08(2) 0.18(3) 0.11(3) 0.07(2) 0.02(2) 0.05(2) O5 0.10(3) 0.12(2) 0.055(18) 0.046(18) 0.020(17) 0.03(2) O6 0.05(2) 0.15(3) 0.08(2) 0.07(2) -0.012(16) -0.006(19) O7 0.08(2) 0.075(17) 0.066(16) 0.039(14) 0.003(15) 0.007(15) O8 0.38(6) 0.018(14) 0.12(3) 0.011(16) -0.03(3) -0.02(2) _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; 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 S1 C2 1.71(3) . ? S1 C1 1.78(3) . ? S1 C3 2.66(3) . ? S1 C1 2.71(3) 2_556 ? S1 S2 2.958(11) . ? S1 S3A 3.069(13) . ? S1 S2 3.224(12) 2_556 ? S1 S11 3.636(12) 2_556 ? S1 S13 3.692(11) 2_556 ? S1 C9 3.72(3) 2_556 ? S2 C1 1.73(3) . ? S2 C3 1.76(3) . ? S2 C2 2.62(3) . ? S2 C1 2.72(2) 2_556 ? S2 C4A 2.98(2) . ? S2 S1 3.224(12) 2_556 ? S2 S13 3.730(11) . ? S2 S15A 3.735(12) . ? S2 C8 3.78(3) 2_556 ? S2 C6 3.89(3) . ? S2 S7 3.884(14) . ? S2 S5 3.902(14) . ? C1 C1 1.33(4) 2_556 ? C1 C2 2.55(4) . ? C1 C3 2.59(3) . ? C1 S1 2.71(3) 2_556 ? C1 S2 2.72(2) 2_556 ? C1 C6 3.60(4) . ? C1 C9 3.77(4) 2_556 ? C1 C8 3.80(4) 2_556 ? C1 C2 3.84(4) 2_556 ? C1 C3 3.90(3) 2_556 ? C2 C3 1.34(4) . ? C2 S3A 1.75(3) . ? C2 C5 2.49(4) . ? C2 C4A 2.56(3) . ? C2 S6 3.67(3) . ? C2 C7 3.74(4) . ? C2 C12B 3.76(3) 2_556 ? C2 S8A 3.76(3) 2_556 ? C2 C1 3.84(4) 2_556 ? C2 C14 3.88(4) 2_556 ? C3 C4A 1.61(3) . ? C3 C5 2.38(4) . ? C3 S3A 2.61(3) . ? C3 S7 3.63(3) . ? C3 S8B 3.72(3) 2_556 ? C3 C12A 3.72(3) 2_556 ? C3 C7 3.76(4) . ? C3 C14 3.84(4) 2_556 ? C3 C11 3.90(4) . ? C3 C1 3.90(3) 2_556 ? C5 C4A 1.60(3) . ? C5 S3A 1.76(3) . ? C5 O3 3.22(4) 1_556 ? C5 O1 3.22(4) 2_556 ? C5 C11 3.58(5) . ? C5 C10 3.72(5) . ? C5 C15 3.74(5) . ? C5 S9A 3.81(4) . ? C5 C45 3.84(4) 1_556 ? C5 H5A 0.9700 . ? C5 H5B 0.9700 . ? S4 C8 1.75(3) . ? S4 C6 1.75(3) . ? S4 C9 2.59(3) . ? S4 C7 2.73(3) . ? S4 C12A 2.938(19) . ? S4 S5 2.975(11) . ? S4 S6 3.188(12) . ? S4 S17 3.731(12) 1_545 ? S4 C32B 3.760(14) 1_545 ? S4 S20A 3.760(14) 1_545 ? S5 C9 1.72(3) . ? S5 C6 1.77(3) . ? S5 C8 2.68(3) . ? S5 C7 2.73(3) . ? S5 S8A 3.069(13) . ? S5 S7 3.252(12) . ? S5 S23 3.633(10) . ? S5 S26A 3.716(13) . ? S6 C10 1.73(3) . ? S6 C7 1.76(3) . ? S6 C11 2.66(3) . ? S6 C6 2.71(3) . ? S6 S7 2.955(11) . ? S6 C13A 2.986(17) . ? S6 S19 3.703(12) 1_545 ? S6 S17 3.705(11) 1_545 ? S6 C9 3.74(3) 2_656 ? S7 C7 1.73(3) . ? S7 C11 1.75(3) . ? S7 C10 2.68(3) . ? S7 C6 2.74(3) . ? S7 O7 3.06(2) 1_556 ? S7 S9A 3.075(15) . ? S7 C8 3.75(3) 2_656 ? S7 S26A 3.812(14) . ? S7 C4A 3.87(2) . ? C6 C7 1.36(3) . ? C6 C9 2.51(4) . ? C6 C8 2.59(4) . ? C6 C6 3.64(6) 2_656 ? C7 C11 2.58(4) . ? C7 C10 2.59(4) . ? C7 C9 3.78(4) 2_656 ? C7 C8 3.78(4) 2_656 ? C7 C9 3.83(4) . ? C8 C9 1.32(4) . ? C8 C12A 1.55(3) . ? C8 C14 2.40(4) . ? C8 S8A 2.58(3) . ? C8 S7 3.75(3) 2_656 ? C8 S2 3.78(3) 2_556 ? C8 C7 3.78(4) 2_656 ? C8 C1 3.80(4) 2_556 ? C9 S8A 1.76(3) . ? C9 C12A 2.50(3) . ? C9 C14 2.50(4) . ? C9 S1 3.72(3) 2_556 ? C9 S6 3.74(3) 2_656 ? C9 C7 3.78(4) 2_656 ? C9 C1 3.77(4) 2_556 ? C10 C11 1.39(4) . ? C10 C13A 1.62(3) . ? C10 C15 2.40(4) . ? C10 S9A 2.61(3) . ? C10 C12B 3.65(3) 2_656 ? C10 S8A 3.65(3) 2_656 ? C10 C14 3.71(5) 2_656 ? C10 S3A 3.77(3) . ? C11 S9A 1.68(3) . ? C11 C15 2.45(4) . ? C11 C13A 2.57(3) . ? C11 O7 3.44(4) 1_556 ? C11 C14 3.71(5) 2_656 ? C11 C4A 3.73(4) . ? C11 S8B 3.77(4) 2_656 ? C11 C12A 3.77(4) 2_656 ? C14 C12A 1.62(3) . ? C14 S8A 1.70(3) . ? C14 O2 3.25(4) . ? C14 O1 3.69(4) . ? C14 C10 3.71(5) 2_656 ? C14 C11 3.71(5) 2_656 ? C14 C13B 3.86(3) 2_656 ? C14 S9A 3.86(3) 2_656 ? C14 C3 3.84(4) 2_556 ? C14 C2 3.88(4) 2_556 ? C14 H14A 0.9700 . ? C14 H14B 0.9700 . ? C15 C13A 1.61(3) . ? C15 S9A 1.74(3) . ? C15 O4 3.42(5) 2_656 ? C15 O3 3.51(4) 1_556 ? C15 O4 3.68(5) 1_556 ? C15 H15A 0.9700 . ? C15 H15B 0.9700 . ? S10 C16 1.74(3) . ? S10 C18 1.80(2) . ? S10 C19 2.63(3) . ? S10 C17 2.74(2) . ? S10 S11 2.972(12) . ? S10 S14A 3.058(12) . ? S10 S12 3.226(12) . ? S10 S24 3.641(10) 2_566 ? S10 S22 3.691(12) 2_566 ? S10 S24 3.869(14) . ? S11 C19 1.72(3) . ? S11 C16 1.75(3) . ? S11 C18 2.66(2) . ? S11 C17 2.71(2) . ? S11 C22A 2.99(2) . ? S11 S13 3.208(12) . ? S11 S1 3.636(12) 2_556 ? S11 C4B 3.648(13) 2_556 ? S11 S3A 3.648(13) 2_556 ? S12 C20 1.69(2) . ? S12 C17 1.77(2) . ? S12 C21 2.62(2) . ? S12 C16 2.73(2) . ? S12 C23A 2.92(2) . ? S12 S13 2.948(11) . ? S12 C43B 3.587(13) 2_566 ? S12 S27A 3.587(13) 2_566 ? S12 C28 3.68(3) 2_566 ? S12 C38 3.71(3) . ? S12 S24 3.713(11) 2_566 ? S12 C42A 3.86(2) . ? S12 S16 3.892(14) 2_566 ? S13 C17 1.72(2) . ? S13 C21 1.73(2) . ? S13 C20 2.63(3) . ? S13 C16 2.73(3) . ? S13 S15A 3.084(12) . ? S13 S1 3.692(11) 2_556 ? S13 C29 3.73(3) 2_566 ? S13 C39 3.73(3) . ? C16 C17 1.37(3) . ? C16 C19 2.52(3) . ? C16 C18 2.59(3) . ? C16 C36 3.57(4) . ? C16 C26 3.70(4) 2_566 ? C16 C20 3.86(3) . ? C16 C37 3.89(4) . ? C16 C21 3.88(3) . ? C17 C20 2.53(3) . ? C17 C21 2.54(3) . ? C17 C39 3.77(4) . ? C17 C38 3.80(4) . ? C17 C29 3.81(4) 2_566 ? C17 C28 3.81(4) 2_566 ? C17 C19 3.85(3) . ? C17 S23 3.90(3) . ? C17 C36 3.90(4) . ? C18 C19 1.32(3) . ? C18 S14A 1.68(2) . ? C18 C24 2.38(4) . ? C18 C22A 2.46(3) . ? C18 S24 3.71(3) . ? C18 S18 3.74(3) 2_566 ? C18 C37 3.81(4) . ? C18 C27 3.79(4) 2_566 ? C18 C40 3.89(4) . ? C19 C22A 1.64(3) . ? C19 C24 2.42(4) . ? C19 S14A 2.63(3) . ? C19 S25 3.74(3) . ? C19 C27 3.78(4) 2_566 ? C19 S19 3.80(3) 2_566 ? C19 C37 3.80(4) . ? C20 C21 1.34(3) . ? C20 C23A 1.58(3) . ? C20 C25 2.50(4) . ? C20 S15A 2.64(3) . ? C20 C42A 3.72(3) . ? C20 C44 3.73(4) . ? C20 C34 3.76(5) 2_566 ? C20 S20B 3.74(3) 2_566 ? C20 C32A 3.74(3) 2_566 ? C21 S15A 1.74(2) . ? C21 C23A 2.46(3) . ? C21 C25 2.55(3) . ? C21 S26A 3.73(3) . ? C21 C32B 3.78(3) 2_566 ? C21 S20A 3.78(3) 2_566 ? C21 C34 3.79(4) 2_566 ? C21 C44 3.77(4) . ? C24 C22A 1.56(3) . ? C24 S14A 1.75(3) . ? C24 O1 3.64(4) 2 ? C24 O4 3.75(5) 2 ? C24 C31 3.73(5) 2_566 ? C24 C30 3.75(4) 2_566 ? C24 C49 3.81(5) 2_565 ? C24 C41 3.78(4) . ? C24 C40 3.81(5) . ? C24 C33A 3.91(4) 2_566 ? C24 S21B 3.91(4) 2_566 ? C24 H24A 0.9700 . ? C24 H24B 0.9700 . ? C25 C23A 1.60(3) . ? C25 S15A 1.80(3) . ? C25 O6 3.31(4) 1_556 ? C25 C25 3.60(5) 2_567 ? C25 O 3.57(4) 2_566 ? C25 O8 3.80(5) 2_566 ? C25 H25A 0.9700 . ? C25 H25B 0.9700 . ? S16 C28 1.71(3) . ? S16 C26 1.74(3) . ? S16 C29 2.65(3) . ? S16 C27 2.68(2) . ? S16 S17 2.943(11) . ? S16 C32A 3.025(15) . ? S16 S18 3.240(11) . ? S16 S18 3.592(12) 2_666 ? S16 C33B 3.618(11) 2_666 ? S16 S21A 3.618(11) 2_666 ? S16 C38 3.79(3) 2_666 ? S16 S12 3.892(13) 2_566 ? S17 C29 1.71(3) . ? S17 C26 1.73(3) . ? S17 C28 2.66(3) . ? S17 C27 2.68(2) . ? S17 S20A 3.034(14) . ? S17 S19 3.208(11) . ? S17 S6 3.705(11) 1_565 ? S17 C39 3.71(3) 2_666 ? S17 S4 3.731(12) 1_565 ? S18 C30 1.74(2) . ? S18 C27 1.78(2) . ? S18 C31 2.66(3) . ? S18 C26 2.75(3) . ? S18 S19 2.968(11) . ? S18 S21A 3.072(11) . ? S18 S18 3.590(16) 2_666 ? S18 S16 3.592(12) 2_666 ? S18 C18 3.74(3) 2_566 ? S19 C31 1.74(3) . ? S19 C27 1.78(2) . ? S19 C30 2.61(3) . ? S19 C26 2.73(3) . ? S19 C33A 2.92(2) . ? S19 S9B 3.542(17) 1_565 ? S19 C13A 3.542(17) 1_565 ? S19 S6 3.703(12) 1_565 ? S19 C19 3.80(3) 2_566 ? S19 S25 3.833(13) 2_666 ? S19 C37 3.84(3) 2_666 ? S19 C36 3.88(3) 2_666 ? C26 C27 1.32(3) . ? C26 C28 2.55(4) . ? C26 C29 2.54(4) . ? C26 C16 3.70(4) 2_566 ? C26 C38 3.78(4) 2_666 ? C26 C39 3.78(4) 2_666 ? C26 C30 3.88(4) . ? C27 C30 2.58(3) . ? C27 C31 2.62(3) . ? C27 C36 3.64(4) 2_666 ? C27 C19 3.78(4) 2_566 ? C27 C18 3.79(4) 2_566 ? C27 C28 3.83(3) . ? C27 C29 3.83(4) . ? C28 C29 1.39(4) . ? C28 C32A 1.67(3) . ? C28 C34 2.42(4) . ? C28 S20A 2.62(3) . ? C28 S12 3.68(3) 2_566 ? C28 S26B 3.76(3) 2_666 ? C28 C42A 3.76(3) 2_666 ? C28 C17 3.81(4) 2_566 ? C28 C44 3.86(4) 2_666 ? C29 S20A 1.69(3) . ? C29 C34 2.46(4) . ? C29 C32A 2.61(3) . ? C29 C42B 3.71(4) 2_666 ? C29 S26A 3.71(4) 2_666 ? C29 S13 3.73(3) 2_566 ? C29 C17 3.81(4) 2_566 ? C29 C44 3.85(4) 2_666 ? C30 C31 1.32(3) . ? C30 S21A 1.74(2) . ? C30 C33A 2.42(3) . ? C30 C35 2.51(3) . ? C30 S24 3.66(3) 2_666 ? C30 C24 3.75(4) 2_566 ? C30 C37 3.74(4) 2_666 ? C30 C22B 3.82(3) 2_566 ? C30 S14A 3.82(3) 2_566 ? C31 C33A 1.52(3) . ? C31 C35 2.40(4) . ? C31 S21A 2.61(3) . ? C31 S25 3.64(3) 2_666 ? C31 C24 3.73(5) 2_566 ? C31 C37 3.71(4) 2_666 ? C31 S14B 3.77(4) 2_566 ? C31 C22A 3.77(4) 2_566 ? C34 C32A 1.62(3) . ? C34 S20A 1.73(3) . ? C34 O8 3.16(4) . ? C34 C47 3.75(5) . ? C34 C20 3.76(5) 2_566 ? C34 C21 3.79(4) 2_566 ? C34 S15B 3.84(4) 2_566 ? C34 C23A 3.84(4) 2_566 ? C34 H34A 0.9700 . ? C34 H34B 0.9700 . ? C35 C33A 1.53(3) . ? C35 S21A 1.80(3) . ? C35 O5 3.22(4) 2_666 ? C35 O4 3.58(4) 1_566 ? C35 C41 3.72(4) 2_666 ? C35 C40 3.76(4) 2_666 ? C35 S27B 3.86(4) 2_666 ? C35 C43A 3.86(4) 2_666 ? C35 S9A 3.89(3) 2_667 ? C35 C13B 3.89(3) 2_667 ? C35 C45 3.91(5) 2_666 ? C35 H35A 0.9700 . ? C35 H35B 0.9700 . ? S22 C36 1.72(3) . ? S22 C38 1.73(3) . ? S22 C39 2.63(3) . ? S22 C37 2.76(3) . ? S22 S23 2.960(11) . ? S22 C42A 2.985(17) . ? S22 S24 3.203(11) . ? S22 C22B 3.576(12) 2_566 ? S22 S14A 3.576(12) 2_566 ? S22 S10 3.691(12) 2_566 ? S23 C39 1.72(3) . ? S23 C36 1.75(3) . ? S23 C38 2.65(3) . ? S23 C37 2.75(3) . ? S23 S26A 3.051(13) . ? S23 S25 3.238(11) . ? S23 S8A 3.717(13) . ? S24 C37 1.75(3) . ? S24 C40 1.78(3) . ? S24 C41 2.64(3) . ? S24 C36 2.74(3) . ? S24 S25 2.961(10) . ? S24 S27A 3.026(13) . ? S24 S10 3.641(10) 2_566 ? S24 C30 3.66(3) 2_666 ? S24 S12 3.713(11) 2_566 ? S24 S14A 3.888(14) . ? S25 C37 1.72(3) . ? S25 C41 1.75(3) . ? S25 C40 2.69(3) . ? S25 C36 2.76(3) . ? S25 C43A 3.002(18) . ? S25 O2 3.26(2) . ? S25 C31 3.64(3) 2_666 ? S25 S8A 3.696(13) . ? S25 S21B 3.77(3) 2_666 ? S25 C33A 3.77(3) 2_666 ? S25 S19 3.833(13) 2_666 ? S25 C4B 3.883(14) 2_556 ? S25 S3A 3.883(14) 2_556 ? C36 C37 1.42(3) . ? C36 C39 2.51(4) . ? C36 C38 2.53(4) . ? C36 C27 3.64(4) 2_666 ? C36 S19 3.88(3) 2_666 ? C37 C41 2.53(4) . ? C37 C40 2.59(4) . ? C37 C31 3.71(4) 2_666 ? C37 C30 3.74(4) 2_666 ? C37 S19 3.84(3) 2_666 ? C38 C39 1.35(3) . ? C38 C42A 1.65(3) . ? C38 C44 2.43(4) . ? C38 S26A 2.63(3) . ? C38 C26 3.78(4) 2_666 ? C38 S16 3.79(3) 2_666 ? C39 S26A 1.74(3) . ? C39 C44 2.48(4) . ? C39 C42A 2.60(3) . ? C39 S17 3.71(3) 2_666 ? C39 C26 3.78(4) 2_666 ? C40 C41 1.35(3) . ? C40 S27A 1.62(3) . ? C40 C45 2.42(4) . ? C40 C43A 2.55(3) . ? C40 S14A 3.63(3) . ? C40 C33B 3.73(3) 2_666 ? C40 S21A 3.73(3) 2_666 ? C40 C35 3.76(4) 2_666 ? C41 C43A 1.65(3) . ? C41 C45 2.41(4) . ? C41 S27A 2.57(3) . ? C41 O2 3.55(3) . ? C41 S21B 3.64(4) 2_666 ? C41 C33A 3.64(4) 2_666 ? C41 C22A 3.64(4) . ? C41 C35 3.72(4) 2_666 ? C44 C42A 1.69(3) . ? C44 S26A 1.74(3) . ? C44 O7 3.36(4) 1_556 ? C44 O 3.45(4) 1_556 ? C44 O8 3.68(4) 1_556 ? C44 C29 3.85(4) 2_666 ? C44 C28 3.86(4) 2_666 ? C44 C48 3.87(5) 1_556 ? C44 H44A 0.9700 . ? C44 H44B 0.9700 . ? C45 C43A 1.62(3) . ? C45 S27A 1.74(3) . ? C45 O1 3.30(5) 2 ? C45 O6 3.32(4) . ? C45 O5 3.56(4) . ? C45 C5 3.84(4) 1_554 ? C45 C35 3.91(5) 2_666 ? C45 H45A 0.9700 . ? C45 H45B 0.9700 . ? S3A C4A 2.88(2) . ? S3A O3 3.42(2) 1_556 ? S3A S11 3.648(13) 2_556 ? S3A C22A 3.73(2) 2_556 ? S3A S25 3.883(14) 2_556 ? C4A O6 3.40(3) 1_556 ? C4A S15A 3.74(2) . ? C4A O1 3.83(3) 2_556 ? C4A O7 3.90(3) 1_556 ? C4A H4A1 0.9700 . ? C4A H4A2 0.9700 . ? S8A C12A 2.81(2) . ? S8A O2 3.41(2) . ? S8A C10 3.65(3) 2_656 ? S8A C2 3.76(3) 2_556 ? S8A C13A 3.87(2) 2_656 ? C12A C46 3.64(5) 1_545 ? C12A C3 3.72(3) 2_556 ? C12A C47 3.77(4) 1_545 ? C12A C11 3.77(4) 2_656 ? C12A S20A 3.88(2) 1_545 ? C12A H12A 0.9700 . ? C12A H12B 0.9700 . ? S9A C13A 2.869(19) . ? S9A O7 3.16(3) 1_556 ? S9A O5 3.30(3) 1_556 ? S9A Re2 3.782(12) 1_556 ? S9A C47 3.83(5) 2_666 ? S9A C14 3.86(3) 2_656 ? S9A C35 3.89(3) 2_667 ? C13A S19 3.542(17) 1_545 ? C13A O4 3.60(4) 1_556 ? C13A C33A 3.67(3) 1_545 ? C13A O3 3.71(3) 1_556 ? C13A S8A 3.87(2) 2_656 ? C13A H13A 0.9700 . ? C13A H13B 0.9700 . ? S14A C22A 2.85(2) . ? S14A S22 3.576(12) 2_566 ? S14A C42A 3.615(18) 2_566 ? S14A C30 3.82(3) 2_566 ? S14A S27A 3.839(15) . ? C22A O3 3.43(3) 2 ? C22A O4 3.65(4) 2 ? C22A S3A 3.73(2) 2_556 ? C22A C31 3.77(4) 2_566 ? C22A Re1 3.86(2) 2 ? C22A O1 3.90(3) 2 ? C22A H22A 0.9700 . ? C22A H22B 0.9700 . ? S15A C23A 2.81(3) . ? S15A O6 3.42(3) 1_556 ? S15A C46 3.88(5) 2_566 ? C23A O 3.34(4) 1_556 ? C23A O6 3.56(4) 2_566 ? C23A O8 3.71(5) 2_566 ? C23A S27A 3.77(3) 2_566 ? C23A C49 3.76(5) 1_556 ? C23A C34 3.84(5) 2_566 ? C23A C32A 3.90(3) 2_566 ? C23A H23A 0.9700 . ? C23A H23B 0.9700 . ? S20A C32A 2.891(18) . ? S20A O7 3.59(3) 2_665 ? S20A S4 3.760(14) 1_565 ? S20A C21 3.78(3) 2_566 ? S20A S26A 3.818(18) 2_666 ? S20A C12A 3.88(2) 1_565 ? C32A O5 3.33(3) . ? C32A O8 3.35(3) . ? C32A S21A 3.632(16) 2_666 ? C32A C20 3.74(3) 2_566 ? C32A C23A 3.90(3) 2_566 ? C32A H32A 0.9700 . ? C32A H32B 0.9700 . ? S21A C33A 2.78(2) . ? S21A O5 3.38(3) 2_666 ? S21A S16 3.618(11) 2_666 ? S21A C32A 3.632(16) 2_666 ? S21A C40 3.73(3) 2_666 ? C33A O4 3.18(4) 1_566 ? C33A O2 3.65(3) 2_666 ? C33A C13A 3.67(3) 1_565 ? C33A C41 3.64(4) 2_666 ? C33A S25 3.77(3) 2_666 ? C33A C24 3.91(4) 2_566 ? C33A H33A 0.9700 . ? C33A H33B 0.9700 . ? S26A C42A 2.956(19) . ? S26A O7 3.37(2) 1_556 ? S26A C29 3.71(4) 2_666 ? S26A S20A 3.818(18) 2_666 ? C42A O 3.17(3) 1_556 ? C42A C48 3.59(5) 1_556 ? C42A S14A 3.615(18) 2_566 ? C42A C28 3.76(3) 2_666 ? C42A H42A 0.9700 . ? C42A H42B 0.9700 . ? S27A C43A 2.878(19) . ? S27A O5 3.41(3) . ? S27A O6 3.45(3) . ? S27A S12 3.587(13) 2_566 ? S27A C23A 3.77(3) 2_566 ? C43A O2 3.09(3) . ? C43A O3 3.24(3) . ? C43A O1 3.24(3) 2 ? C43A Re1 3.802(16) . ? C43A C35 3.86(4) 2_666 ? C43A H43A 0.9700 . ? C43A H43B 0.9700 . ? Re1 O4 1.64(3) . ? Re1 O2 1.68(2) . ? Re1 O3 1.72(2) . ? Re1 O1 1.73(2) . ? Re1 S14B 3.86(2) 2 ? Re1 C22A 3.86(2) 2 ? Re2 O6 1.67(3) . ? Re2 O7 1.68(2) . ? Re2 O5 1.70(3) . ? Re2 O8 1.69(2) . ? Re2 C13B 3.782(12) 1_554 ? Re2 S9A 3.782(12) 1_554 ? O1 O4 2.77(4) . ? O1 O2 2.76(3) . ? O1 O3 2.81(3) . ? O1 S27B 3.24(3) 2 ? O1 C43A 3.24(3) 2 ? O1 C5 3.22(4) 2_556 ? O1 C45 3.30(5) 2 ? O1 C46 3.45(5) 1_545 ? O1 C24 3.64(4) 2 ? O1 O3 3.79(4) 2 ? O1 C4A 3.83(3) 2_556 ? O1 S3B 3.83(3) 2_556 ? O1 C22A 3.90(3) 2 ? O1 S14B 3.90(3) 2 ? O2 O4 2.71(4) . ? O2 O3 2.79(3) . ? O2 S21B 3.65(3) 2_666 ? O2 C33A 3.65(3) 2_666 ? O3 O4 2.73(4) . ? O3 C5 3.22(4) 1_554 ? O3 C4B 3.42(2) 1_554 ? O3 S3A 3.42(2) 1_554 ? O3 S14B 3.43(3) 2 ? O3 C22A 3.43(3) 2 ? O3 C15 3.51(4) 1_554 ? O3 O3 3.64(6) 2 ? O3 C13A 3.71(3) 1_554 ? O3 S9B 3.71(3) 1_554 ? O3 O1 3.79(4) 2 ? O4 S21B 3.18(4) 1_544 ? O4 C33A 3.18(4) 1_544 ? O4 C15 3.42(5) 2_656 ? O4 C35 3.58(4) 1_544 ? O4 S9B 3.60(4) 1_554 ? O4 C13A 3.60(4) 1_554 ? O4 S14B 3.65(4) 2 ? O4 C22A 3.65(4) 2 ? O4 C24 3.75(5) 2 ? O4 C15 3.68(5) 1_554 ? O5 O6 2.75(3) . ? O5 O7 2.78(3) . ? O5 O8 2.77(4) . ? O5 C35 3.22(4) 2_666 ? O5 C48 3.35(6) 2_665 ? O5 C13B 3.30(3) 1_554 ? O5 S9A 3.30(3) 1_554 ? O5 C33B 3.38(3) 2_666 ? O5 S21A 3.38(3) 2_666 ? O5 C47 3.49(6) 2_665 ? O6 O8 2.68(5) . ? O6 O7 2.71(4) . ? O6 C25 3.31(4) 1_554 ? O6 S3B 3.40(3) 1_554 ? O6 C4A 3.40(3) 1_554 ? O6 C23B 3.42(3) 1_554 ? O6 S15A 3.42(3) 1_554 ? O6 S15B 3.56(4) 2_566 ? O6 C23A 3.56(4) 2_566 ? O6 C49 3.71(5) 2_565 ? O7 O8 2.81(3) . ? O7 S7 3.06(2) 1_554 ? O7 C13B 3.16(3) 1_554 ? O7 S9A 3.16(3) 1_554 ? O7 C44 3.36(4) 1_554 ? O7 C42B 3.37(2) 1_554 ? O7 S26A 3.37(2) 1_554 ? O7 C11 3.44(4) 1_554 ? O7 C32B 3.59(3) 2_665 ? O7 S20A 3.59(3) 2_665 ? O7 S3B 3.90(3) 1_554 ? O7 C4A 3.90(3) 1_554 ? O8 O 3.36(4) . ? O8 C48 3.32(5) . ? O8 S15B 3.71(5) 2_566 ? O8 C23A 3.71(5) 2_566 ? O8 C44 3.68(4) 1_554 ? O8 C25 3.80(5) 2_566 ? O C49 1.43(4) . ? O C48 1.46(5) . ? O C47 2.29(5) . ? O C46 2.32(5) . ? O S26B 3.17(3) 1_554 ? O C42A 3.17(3) 1_554 ? O S15B 3.34(4) 1_554 ? O C23A 3.34(4) 1_554 ? O C44 3.45(4) 1_554 ? O C25 3.57(4) 2_566 ? C46 C49 1.36(5) . ? C46 C47 1.47(6) . ? C46 C48 2.36(6) . ? C46 O1 3.45(5) 1_565 ? C46 C12A 3.64(5) 1_565 ? C46 S8B 3.64(5) 1_565 ? C46 S15A 3.88(5) 2_566 ? C46 C23B 3.88(5) 2_566 ? C46 H46A 0.9700 . ? C46 H46B 0.9700 . ? C47 C48 1.50(5) . ? C47 C49 2.22(6) . ? C47 O5 3.49(6) 2_665 ? C47 C12A 3.77(4) 1_565 ? C47 S8B 3.77(4) 1_565 ? C47 S9A 3.83(5) 2_666 ? C47 C13B 3.83(5) 2_666 ? C47 H47A 0.9700 . ? C47 H47B 0.9700 . ? C48 C49 2.19(6) . ? C48 O5 3.35(6) 2_665 ? C48 S26B 3.59(5) 1_554 ? C48 C42A 3.59(5) 1_554 ? C48 C44 3.87(5) 1_554 ? C48 H48A 0.9700 . ? C48 H48B 0.9700 . ? C49 O6 3.71(5) 2_565 ? C49 S15B 3.76(5) 1_554 ? C49 C23A 3.76(5) 1_554 ? C49 C24 3.81(5) 2_565 ? C49 H49A 0.9700 . ? C49 H49B 0.9700 . ? 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 C2 S1 C1 93.7(13) . . ? C2 S1 C3 25.7(11) . . ? C1 S1 C3 68.0(10) . . ? C2 S1 C1 118.8(12) . 2_556 ? C1 S1 C1 25.1(12) . 2_556 ? C3 S1 C1 93.1(8) . 2_556 ? C2 S1 S2 61.6(10) . . ? C1 S1 S2 32.1(8) . . ? C3 S1 S2 35.9(6) . . ? C1 S1 S2 57.2(6) 2_556 . ? C2 S1 S3A 28.0(10) . . ? C1 S1 S3A 121.5(8) . . ? C3 S1 S3A 53.5(6) . . ? C1 S1 S3A 146.5(6) 2_556 . ? S2 S1 S3A 89.5(3) . . ? C2 S1 S2 151.3(10) . 2_556 ? C1 S1 S2 57.6(8) . 2_556 ? C3 S1 S2 125.6(6) . 2_556 ? C1 S1 S2 32.5(5) 2_556 2_556 ? S2 S1 S2 89.7(3) . 2_556 ? S3A S1 S2 176.5(4) . 2_556 ? C2 S1 S11 90.6(10) . 2_556 ? C1 S1 S11 160.9(10) . 2_556 ? C3 S1 S11 115.1(6) . 2_556 ? C1 S1 S11 145.9(6) 2_556 2_556 ? S2 S1 S11 146.8(4) . 2_556 ? S3A S1 S11 65.3(3) . 2_556 ? S2 S1 S11 116.8(3) 2_556 2_556 ? C2 S1 S13 141.2(11) . 2_556 ? C1 S1 S13 118.5(8) . 2_556 ? C3 S1 S13 159.3(7) . 2_556 ? C1 S1 S13 95.2(6) 2_556 2_556 ? S2 S1 S13 146.5(3) . 2_556 ? S3A S1 S13 117.2(3) . 2_556 ? S2 S1 S13 64.9(2) 2_556 2_556 ? S11 S1 S13 51.9(2) 2_556 2_556 ? C2 S1 C9 87.0(12) . 2_556 ? C1 S1 C9 77.9(11) . 2_556 ? C3 S1 C9 81.3(8) . 2_556 ? C1 S1 C9 80.2(8) 2_556 2_556 ? S2 S1 C9 78.1(5) . 2_556 ? S3A S1 C9 90.5(5) . 2_556 ? S2 S1 C9 86.0(5) 2_556 2_556 ? S11 S1 C9 120.9(5) 2_556 2_556 ? S13 S1 C9 118.8(5) 2_556 2_556 ? C1 S2 C3 95.9(12) . . ? C1 S2 C2 68.3(10) . . ? C3 S2 C2 27.7(10) . . ? C1 S2 C1 23.7(13) . 2_556 ? C3 S2 C1 119.5(11) . 2_556 ? C2 S2 C1 91.9(8) . 2_556 ? C1 S2 S1 33.1(8) . . ? C3 S2 S1 62.8(9) . . ? C2 S2 S1 35.1(6) . . ? C1 S2 S1 56.8(6) 2_556 . ? C1 S2 C4A 122.1(9) . . ? C3 S2 C4A 26.3(9) . . ? C2 S2 C4A 53.9(7) . . ? C1 S2 C4A 145.6(7) 2_556 . ? S1 S2 C4A 89.0(5) . . ? C1 S2 S1 57.2(8) . 2_556 ? C3 S2 S1 153.0(10) . 2_556 ? C2 S2 S1 125.4(7) . 2_556 ? C1 S2 S1 33.5(5) 2_556 2_556 ? S1 S2 S1 90.3(3) . 2_556 ? C4A S2 S1 175.7(6) . 2_556 ? C1 S2 S13 117.1(9) . . ? C3 S2 S13 139.2(9) . . ? C2 S2 S13 158.1(8) . . ? C1 S2 S13 94.9(6) 2_556 . ? S1 S2 S13 146.1(4) . . ? C4A S2 S13 115.3(4) . . ? S1 S2 S13 63.6(2) 2_556 . ? C1 S2 S15A 156.7(11) . . ? C3 S2 S15A 91.6(9) . . ? C2 S2 S15A 117.6(7) . . ? C1 S2 S15A 141.7(6) 2_556 . ? S1 S2 S15A 147.5(4) . . ? C4A S2 S15A 66.5(4) . . ? S1 S2 S15A 112.4(3) 2_556 . ? S13 S2 S15A 48.8(2) . . ? C1 S2 C8 77.5(11) . 2_556 ? C3 S2 C8 84.2(11) . 2_556 ? C2 S2 C8 80.1(8) . 2_556 ? C1 S2 C8 80.4(8) 2_556 2_556 ? S1 S2 C8 76.7(5) . 2_556 ? C4A S2 C8 88.3(6) . 2_556 ? S1 S2 C8 87.4(5) 2_556 2_556 ? S13 S2 C8 80.6(5) . 2_556 ? S15A S2 C8 81.4(5) . 2_556 ? C1 S2 C6 67.6(11) . . ? C3 S2 C6 89.8(10) . . ? C2 S2 C6 78.2(8) . . ? C1 S2 C6 71.7(8) 2_556 . ? S1 S2 C6 68.9(5) . . ? C4A S2 C6 101.7(6) . . ? S1 S2 C6 82.0(5) 2_556 . ? S13 S2 C6 123.6(5) . . ? S15A S2 C6 134.6(5) . . ? C8 S2 C6 143.7(6) 2_556 . ? C1 S2 S7 104.8(10) . . ? C3 S2 S7 68.5(10) . . ? C2 S2 S7 75.8(7) . . ? C1 S2 S7 112.9(7) 2_556 . ? S1 S2 S7 90.6(3) . . ? C4A S2 S7 67.1(5) . . ? S1 S2 S7 117.1(3) 2_556 . ? S13 S2 S7 119.8(3) . . ? S15A S2 S7 98.5(3) . . ? C8 S2 S7 152.7(5) 2_556 . ? C6 S2 S7 41.2(4) . . ? C1 S2 S5 79.2(10) . . ? C3 S2 S5 112.6(10) . . ? C2 S2 S5 104.4(7) . . ? C1 S2 S5 72.5(7) 2_556 . ? S1 S2 S5 91.5(3) . . ? C4A S2 S5 116.5(5) . . ? S1 S2 S5 67.8(3) 2_556 . ? S13 S2 S5 97.5(3) . . ? S15A S2 S5 118.0(3) . . ? C8 S2 S5 152.6(5) 2_556 . ? C6 S2 S5 26.2(4) . . ? S7 S2 S5 49.4(2) . . ? C1 C1 S2 125(3) 2_556 . ? C1 C1 S1 120(3) 2_556 . ? S2 C1 S1 114.8(13) . . ? C1 C1 C2 162(3) 2_556 . ? S2 C1 C2 72.6(10) . . ? S1 C1 C2 42.2(8) . . ? C1 C1 C3 167(3) 2_556 . ? S2 C1 C3 42.4(8) . . ? S1 C1 C3 72.4(10) . . ? C2 C1 C3 30.2(8) . . ? C1 C1 S1 34.6(18) 2_556 2_556 ? S2 C1 S1 90.4(11) . 2_556 ? S1 C1 S1 154.9(12) . 2_556 ? C2 C1 S1 163.0(13) . 2_556 ? C3 C1 S1 132.8(12) . 2_556 ? C1 C1 S2 31.4(18) 2_556 2_556 ? S2 C1 S2 156.3(13) . 2_556 ? S1 C1 S2 88.9(10) . 2_556 ? C2 C1 S2 131.0(12) . 2_556 ? C3 C1 S2 161.2(13) . 2_556 ? S1 C1 S2 66.0(6) 2_556 2_556 ? C1 C1 C6 97(3) 2_556 . ? S2 C1 C6 86.0(12) . . ? S1 C1 C6 87.4(11) . . ? C2 C1 C6 84.8(11) . . ? C3 C1 C6 85.3(11) . . ? S1 C1 C6 94.9(9) 2_556 . ? S2 C1 C6 95.8(9) 2_556 . ? C1 C1 C9 100(3) 2_556 2_556 ? S2 C1 C9 93.6(11) . 2_556 ? S1 C1 C9 74.6(11) . 2_556 ? C2 C1 C9 76.1(11) . 2_556 ? C3 C1 C9 81.1(10) . 2_556 ? S1 C1 C9 105.0(9) 2_556 2_556 ? S2 C1 C9 92.5(9) 2_556 2_556 ? C6 C1 C9 160.0(9) . 2_556 ? C1 C1 C8 102(3) 2_556 2_556 ? S2 C1 C8 76.1(10) . 2_556 ? S1 C1 C8 91.1(11) . 2_556 ? C2 C1 C8 80.5(10) . 2_556 ? C3 C1 C8 74.9(10) . 2_556 ? S1 C1 C8 95.0(9) 2_556 2_556 ? S2 C1 C8 104.6(10) 2_556 2_556 ? C6 C1 C8 159.6(9) . 2_556 ? C9 C1 C8 20.1(6) 2_556 2_556 ? C1 C1 C2 11.6(19) 2_556 2_556 ? S2 C1 C2 113.4(12) . 2_556 ? S1 C1 C2 131.8(12) . 2_556 ? C2 C1 C2 174.0(10) . 2_556 ? C3 C1 C2 155.8(12) . 2_556 ? S1 C1 C2 23.0(5) 2_556 2_556 ? S2 C1 C2 43.0(6) 2_556 2_556 ? C6 C1 C2 95.7(9) . 2_556 ? C9 C1 C2 102.7(9) 2_556 2_556 ? C8 C1 C2 100.3(9) 2_556 2_556 ? C1 C1 C3 8.5(19) 2_556 2_556 ? S2 C1 C3 133.3(12) . 2_556 ? S1 C1 C3 111.9(11) . 2_556 ? C2 C1 C3 154.1(12) . 2_556 ? C3 C1 C3 175.7(10) . 2_556 ? S1 C1 C3 42.9(5) 2_556 2_556 ? S2 C1 C3 23.1(5) 2_556 2_556 ? C6 C1 C3 95.4(8) . 2_556 ? C9 C1 C3 99.3(9) 2_556 2_556 ? C8 C1 C3 104.0(9) 2_556 2_556 ? C2 C1 C3 19.9(5) 2_556 2_556 ? C3 C2 S1 121(2) . . ? C3 C2 S3A 114(2) . . ? S1 C2 S3A 124.7(18) . . ? C3 C2 C5 69.6(17) . . ? S1 C2 C5 169.7(18) . . ? S3A C2 C5 45.1(10) . . ? C3 C2 C1 76.5(17) . . ? S1 C2 C1 44.2(9) . . ? S3A C2 C1 168.1(18) . . ? C5 C2 C1 146.1(16) . . ? C3 C2 C4A 32.8(14) . . ? S1 C2 C4A 153.2(16) . . ? S3A C2 C4A 81.5(11) . . ? C5 C2 C4A 37.0(9) . . ? C1 C2 C4A 109.2(13) . . ? C3 C2 S2 37.5(13) . . ? S1 C2 S2 83.3(11) . . ? S3A C2 S2 151.7(15) . . ? C5 C2 S2 107.0(13) . . ? C1 C2 S2 39.1(7) . . ? C4A C2 S2 70.2(9) . . ? C3 C2 S6 104(2) . . ? S1 C2 S6 86.0(11) . . ? S3A C2 S6 87.0(12) . . ? C5 C2 S6 91.8(12) . . ? C1 C2 S6 95.5(11) . . ? C4A C2 S6 102.5(11) . . ? S2 C2 S6 101.0(9) . . ? C3 C2 C7 80.6(18) . . ? S1 C2 C7 85.2(12) . . ? S3A C2 C7 110.0(14) . . ? C5 C2 C7 97.5(13) . . ? C1 C2 C7 75.8(11) . . ? C4A C2 C7 90.9(11) . . ? S2 C2 C7 73.7(8) . . ? S6 C2 C7 27.4(5) . . ? C3 C2 C12B 101.1(19) . 2_556 ? S1 C2 C12B 82.3(12) . 2_556 ? S3A C2 C12B 81.9(11) . 2_556 ? C5 C2 C12B 95.8(12) . 2_556 ? C1 C2 C12B 91.3(11) . 2_556 ? C4A C2 C12B 97.8(10) . 2_556 ? S2 C2 C12B 99.3(9) . 2_556 ? S6 C2 C12B 155.1(9) . 2_556 ? C7 C2 C12B 166.3(10) . 2_556 ? C3 C2 S8A 101.1(19) . 2_556 ? S1 C2 S8A 82.3(12) . 2_556 ? S3A C2 S8A 81.9(11) . 2_556 ? C5 C2 S8A 95.8(12) . 2_556 ? C1 C2 S8A 91.3(11) . 2_556 ? C4A C2 S8A 97.8(10) . 2_556 ? S2 C2 S8A 99.3(9) . 2_556 ? S6 C2 S8A 155.1(9) . 2_556 ? C7 C2 S8A 166.3(10) . 2_556 ? C12B C2 S8A 0.0(6) 2_556 2_556 ? C3 C2 C1 82.5(17) . 2_556 ? S1 C2 C1 38.2(8) . 2_556 ? S3A C2 C1 162.3(15) . 2_556 ? C5 C2 C1 152.1(13) . 2_556 ? C1 C2 C1 6.0(10) . 2_556 ? C4A C2 C1 115.2(11) . 2_556 ? S2 C2 C1 45.1(6) . 2_556 ? S6 C2 C1 94.6(8) . 2_556 ? C7 C2 C1 77.1(8) . 2_556 ? C12B C2 C1 89.6(8) 2_556 2_556 ? S8A C2 C1 89.6(8) 2_556 2_556 ? C3 C2 C14 78.1(18) . 2_556 ? S1 C2 C14 103.8(14) . 2_556 ? S3A C2 C14 81.0(12) . 2_556 ? C5 C2 C14 77.1(11) . 2_556 ? C1 C2 C14 97.0(12) . 2_556 ? C4A C2 C14 72.2(9) . 2_556 ? S2 C2 C14 88.0(9) . 2_556 ? S6 C2 C14 167.5(10) . 2_556 ? C7 C2 C14 158.7(10) . 2_556 ? C12B C2 C14 25.7(5) 2_556 2_556 ? S8A C2 C14 25.7(5) 2_556 2_556 ? C1 C2 C14 97.9(9) 2_556 2_556 ? C2 C3 C4A 120(2) . . ? C2 C3 S2 115(2) . . ? C4A C3 S2 124.7(18) . . ? C2 C3 C5 78.5(18) . . ? C4A C3 C5 42.1(11) . . ? S2 C3 C5 166.3(17) . . ? C2 C3 C1 73.2(17) . . ? C4A C3 C1 165.9(18) . . ? S2 C3 C1 41.7(8) . . ? C5 C3 C1 151.8(15) . . ? C2 C3 S3A 37.8(14) . . ? C4A C3 S3A 82.6(12) . . ? S2 C3 S3A 152.5(14) . . ? C5 C3 S3A 41.1(8) . . ? C1 C3 S3A 110.9(11) . . ? C2 C3 S1 33.6(14) . . ? C4A C3 S1 153.7(16) . . ? S2 C3 S1 81.3(10) . . ? C5 C3 S1 112.2(12) . . ? C1 C3 S1 39.6(7) . . ? S3A C3 S1 71.3(7) . . ? C2 C3 S7 101.8(19) . . ? C4A C3 S7 86.1(13) . . ? S2 C3 S7 84.7(11) . . ? C5 C3 S7 89.9(12) . . ? C1 C3 S7 95.0(10) . . ? S3A C3 S7 101.5(8) . . ? S1 C3 S7 101.4(8) . . ? C2 C3 S8B 101(2) . 2_556 ? C4A C3 S8B 84.9(13) . 2_556 ? S2 C3 S8B 82.7(11) . 2_556 ? C5 C3 S8B 97.8(12) . 2_556 ? C1 C3 S8B 88.7(10) . 2_556 ? S3A C3 S8B 98.8(9) . 2_556 ? S1 C3 S8B 96.2(9) . 2_556 ? S7 C3 S8B 156.5(9) . 2_556 ? C2 C3 C12A 101(2) . 2_556 ? C4A C3 C12A 84.9(13) . 2_556 ? S2 C3 C12A 82.7(11) . 2_556 ? C5 C3 C12A 97.8(12) . 2_556 ? C1 C3 C12A 88.7(10) . 2_556 ? S3A C3 C12A 98.8(9) . 2_556 ? S1 C3 C12A 96.2(9) . 2_556 ? S7 C3 C12A 156.5(9) . 2_556 ? S8B C3 C12A 0.0(11) 2_556 2_556 ? C2 C3 C7 78.8(18) . . ? C4A C3 C7 109.9(15) . . ? S2 C3 C7 81.8(11) . . ? C5 C3 C7 99.0(13) . . ? C1 C3 C7 75.0(10) . . ? S3A C3 C7 91.7(9) . . ? S1 C3 C7 74.4(8) . . ? S7 C3 C7 27.0(5) . . ? S8B C3 C7 162.9(9) 2_556 . ? C12A C3 C7 162.9(9) 2_556 . ? C2 C3 C14 81.9(18) . 2_556 ? C4A C3 C14 81.8(13) . 2_556 ? S2 C3 C14 104.7(12) . 2_556 ? C5 C3 C14 79.1(12) . 2_556 ? C1 C3 C14 97.4(11) . 2_556 ? S3A C3 C14 74.0(8) . 2_556 ? S1 C3 C14 88.3(9) . 2_556 ? S7 C3 C14 167.6(9) . 2_556 ? S8B C3 C14 24.7(5) 2_556 2_556 ? C12A C3 C14 24.7(5) 2_556 2_556 ? C7 C3 C14 160.5(10) . 2_556 ? C2 C3 C11 90(2) . . ? C4A C3 C11 71.9(13) . . ? S2 C3 C11 111.3(13) . . ? C5 C3 C11 64.2(11) . . ? C1 C3 C11 114.2(11) . . ? S3A C3 C11 77.4(8) . . ? S1 C3 C11 104.0(9) . . ? S7 C3 C11 26.6(5) . . ? S8B C3 C11 156.8(9) 2_556 . ? C12A C3 C11 156.8(9) 2_556 . ? C7 C3 C11 39.3(7) . . ? C14 C3 C11 143.3(9) 2_556 . ? C2 C3 C1 77.6(16) . 2_556 ? C4A C3 C1 161.5(15) . 2_556 ? S2 C3 C1 37.4(7) . 2_556 ? C5 C3 C1 156.1(13) . 2_556 ? C1 C3 C1 4.3(10) . 2_556 ? S3A C3 C1 115.1(9) . 2_556 ? S1 C3 C1 43.9(6) . 2_556 ? S7 C3 C1 94.7(7) . 2_556 ? S8B C3 C1 87.2(7) 2_556 2_556 ? C12A C3 C1 87.2(7) 2_556 2_556 ? C7 C3 C1 76.1(8) . 2_556 ? C14 C3 C1 97.7(9) 2_556 2_556 ? C11 C3 C1 115.3(9) . 2_556 ? C4A C5 S3A 118(2) . . ? C4A C5 C3 42.2(12) . . ? S3A C5 C3 76.3(13) . . ? C4A C5 C2 73.9(14) . . ? S3A C5 C2 44.7(10) . . ? C3 C5 C2 31.8(9) . . ? C4A C5 O3 161.4(18) . 1_556 ? S3A C5 O3 80.9(12) . 1_556 ? C3 C5 O3 156.2(15) . 1_556 ? C2 C5 O3 124.6(14) . 1_556 ? C4A C5 O1 99.3(16) . 2_556 ? S3A C5 O1 105.9(15) . 2_556 ? C3 C5 O1 121.1(15) . 2_556 ? C2 C5 O1 124.4(15) . 2_556 ? O3 C5 O1 72.0(10) 1_556 2_556 ? C4A C5 C11 82.8(16) . . ? S3A C5 C11 97.7(14) . . ? C3 C5 C11 79.1(12) . . ? C2 C5 C11 83.4(12) . . ? O3 C5 C11 97.2(11) 1_556 . ? O1 C5 C11 151.8(12) 2_556 . ? C4A C5 C10 100.5(17) . . ? S3A C5 C10 78.1(12) . . ? C3 C5 C10 84.0(12) . . ? C2 C5 C10 76.2(12) . . ? O3 C5 C10 84.5(10) 1_556 . ? O1 C5 C10 154.9(12) 2_556 . ? C11 C5 C10 21.9(7) . . ? C4A C5 C15 114.2(18) . . ? S3A C5 C15 101.5(14) . . ? C3 C5 C15 117.8(14) . . ? C2 C5 C15 113.5(14) . . ? O3 C5 C15 60.0(9) 1_556 . ? O1 C5 C15 119.0(11) 2_556 . ? C11 C5 C15 39.0(8) . . ? C10 C5 C15 37.5(8) . . ? C4A C5 S9A 87.6(15) . . ? S3A C5 S9A 118.0(15) . . ? C3 C5 S9A 99.7(13) . . ? C2 C5 S9A 109.2(13) . . ? O3 C5 S9A 84.7(9) 1_556 . ? O1 C5 S9A 125.8(10) 2_556 . ? C11 C5 S9A 26.0(6) . . ? C10 C5 S9A 40.5(6) . . ? C15 C5 S9A 26.6(6) . . ? C4A C5 C45 87.5(14) . 1_556 ? S3A C5 C45 152.2(16) . 1_556 ? C3 C5 C45 129.6(13) . 1_556 ? C2 C5 C45 161.1(14) . 1_556 ? O3 C5 C45 74.1(9) 1_556 1_556 ? O1 C5 C45 54.9(9) 2_556 1_556 ? C11 C5 C45 97.4(11) . 1_556 ? C10 C5 C45 110.8(11) . 1_556 ? C15 C5 C45 76.5(9) . 1_556 ? S9A C5 C45 72.0(8) . 1_556 ? C4A C5 H5A 107.9 . . ? S3A C5 H5A 107.9 . . ? C3 C5 H5A 133.1 . . ? C2 C5 H5A 134.1 . . ? O3 C5 H5A 61.4 1_556 . ? O1 C5 H5A 12.0 2_556 . ? C11 C5 H5A 142.3 . . ? C10 C5 H5A 142.9 . . ? C15 C5 H5A 107.2 . . ? S9A C5 H5A 116.6 . . ? C45 C5 H5A 48.9 1_556 . ? C4A C5 H5B 107.9 . . ? S3A C5 H5B 107.9 . . ? C3 C5 H5B 115.9 . . ? C2 C5 H5B 115.8 . . ? O3 C5 H5B 64.8 1_556 . ? O1 C5 H5B 118.5 2_556 . ? C11 C5 H5B 36.9 . . ? C10 C5 H5B 39.7 . . ? C15 C5 H5B 7.1 . . ? S9A C5 H5B 20.4 . . ? C45 C5 H5B 72.2 1_556 . ? H5A C5 H5B 107.2 . . ? C8 S4 C6 95.3(14) . . ? C8 S4 C9 27.9(11) . . ? C6 S4 C9 67.4(11) . . ? C8 S4 C7 119.9(12) . . ? C6 S4 C7 24.7(10) . . ? C9 S4 C7 92.1(9) . . ? C8 S4 C12A 25.4(10) . . ? C6 S4 C12A 120.7(10) . . ? C9 S4 C12A 53.3(7) . . ? C7 S4 C12A 145.4(8) . . ? C8 S4 S5 63.0(10) . . ? C6 S4 S5 32.3(9) . . ? C9 S4 S5 35.1(6) . . ? C7 S4 S5 57.0(6) . . ? C12A S4 S5 88.4(4) . . ? C8 S4 S6 153.3(10) . . ? C6 S4 S6 58.1(9) . . ? C9 S4 S6 125.5(7) . . ? C7 S4 S6 33.4(6) . . ? C12A S4 S6 178.4(5) . . ? S5 S4 S6 90.4(3) . . ? C8 S4 S17 140.8(10) . 1_545 ? C6 S4 S17 119.4(10) . 1_545 ? C9 S4 S17 161.1(7) . 1_545 ? C7 S4 S17 95.8(7) . 1_545 ? C12A S4 S17 117.3(4) . 1_545 ? S5 S4 S17 147.9(4) . 1_545 ? S6 S4 S17 64.2(2) . 1_545 ? C8 S4 C32B 93.5(10) . 1_545 ? C6 S4 C32B 159.1(11) . 1_545 ? C9 S4 C32B 119.4(7) . 1_545 ? C7 S4 C32B 141.8(7) . 1_545 ? C12A S4 C32B 69.6(4) . 1_545 ? S5 S4 C32B 149.3(4) . 1_545 ? S6 S4 C32B 111.9(3) . 1_545 ? S17 S4 C32B 47.8(2) 1_545 1_545 ? C8 S4 S20A 93.5(10) . 1_545 ? C6 S4 S20A 159.1(11) . 1_545 ? C9 S4 S20A 119.4(7) . 1_545 ? C7 S4 S20A 141.8(7) . 1_545 ? C12A S4 S20A 69.6(4) . 1_545 ? S5 S4 S20A 149.3(4) . 1_545 ? S6 S4 S20A 111.9(3) . 1_545 ? S17 S4 S20A 47.8(2) 1_545 1_545 ? C32B S4 S20A 0.0(7) 1_545 1_545 ? C9 S5 C6 92.0(13) . . ? C9 S5 C8 24.4(11) . . ? C6 S5 C8 67.6(11) . . ? C9 S5 C7 117.1(12) . . ? C6 S5 C7 25.1(10) . . ? C8 S5 C7 92.7(9) . . ? C9 S5 S4 60.0(10) . . ? C6 S5 S4 32.0(9) . . ? C8 S5 S4 35.6(6) . . ? C7 S5 S4 57.1(6) . . ? C9 S5 S8A 28.4(9) . . ? C6 S5 S8A 120.4(10) . . ? C8 S5 S8A 52.8(6) . . ? C7 S5 S8A 145.5(7) . . ? S4 S5 S8A 88.4(3) . . ? C9 S5 S7 149.2(10) . . ? C6 S5 S7 57.3(9) . . ? C8 S5 S7 124.8(7) . . ? C7 S5 S7 32.2(6) . . ? S4 S5 S7 89.2(3) . . ? S8A S5 S7 177.3(4) . . ? C9 S5 S23 93.0(10) . . ? C6 S5 S23 158.6(11) . . ? C8 S5 S23 116.1(7) . . ? C7 S5 S23 143.9(7) . . ? S4 S5 S23 147.6(4) . . ? S8A S5 S23 66.8(3) . . ? S7 S5 S23 114.9(3) . . ? C9 S5 S26A 140.7(10) . . ? C6 S5 S26A 119.8(9) . . ? C8 S5 S26A 158.0(8) . . ? C7 S5 S26A 96.6(6) . . ? S4 S5 S26A 148.1(4) . . ? S8A S5 S26A 115.8(4) . . ? S7 S5 S26A 65.9(3) . . ? S23 S5 S26A 49.0(2) . . ? C9 S5 S2 109.0(11) . . ? C6 S5 S2 76.4(10) . . ? C8 S5 S2 102.8(7) . . ? C7 S5 S2 69.8(7) . . ? S4 S5 S2 89.7(3) . . ? S8A S5 S2 113.7(4) . . ? S7 S5 S2 65.0(3) . . ? S23 S5 S2 82.3(3) . . ? S26A S5 S2 62.4(3) . . ? C10 S6 C7 95.6(15) . . ? C10 S6 C11 27.8(12) . . ? C7 S6 C11 67.8(12) . . ? C10 S6 C6 121.3(12) . . ? C7 S6 C6 25.7(10) . . ? C11 S6 C6 93.5(9) . . ? C10 S6 S7 63.7(10) . . ? C7 S6 S7 31.9(9) . . ? C11 S6 S7 35.9(7) . . ? C6 S6 S7 57.6(6) . . ? C10 S6 C13A 25.9(10) . . ? C7 S6 C13A 121.5(11) . . ? C11 S6 C13A 53.8(7) . . ? C6 S6 C13A 147.2(7) . . ? S7 S6 C13A 89.6(4) . . ? C10 S6 S4 154.5(11) . . ? C7 S6 S4 59.0(10) . . ? C11 S6 S4 126.7(7) . . ? C6 S6 S4 33.2(6) . . ? S7 S6 S4 90.8(3) . . ? C13A S6 S4 178.9(5) . . ? C10 S6 C2 86.2(12) . . ? C7 S6 C2 78.4(11) . . ? C11 S6 C2 79.3(9) . . ? C6 S6 C2 81.4(8) . . ? S7 S6 C2 76.0(5) . . ? C13A S6 C2 92.2(6) . . ? S4 S6 C2 88.9(5) . . ? C10 S6 S19 87.1(11) . 1_545 ? C7 S6 S19 159.2(11) . 1_545 ? C11 S6 S19 113.7(7) . 1_545 ? C6 S6 S19 145.8(7) . 1_545 ? S7 S6 S19 145.5(4) . 1_545 ? C13A S6 S19 62.9(4) . 1_545 ? S4 S6 S19 116.3(3) . 1_545 ? C2 S6 S19 122.4(6) . 1_545 ? C10 S6 S17 137.9(11) . 1_545 ? C7 S6 S17 120.6(10) . 1_545 ? C11 S6 S17 159.7(8) . 1_545 ? C6 S6 S17 96.7(6) . 1_545 ? S7 S6 S17 149.4(4) . 1_545 ? C13A S6 S17 114.2(4) . 1_545 ? S4 S6 S17 65.0(2) . 1_545 ? C2 S6 S17 119.5(6) . 1_545 ? S19 S6 S17 51.3(2) 1_545 1_545 ? C10 S6 C9 84.9(12) . 2_656 ? C7 S6 C9 77.7(11) . 2_656 ? C11 S6 C9 81.2(8) . 2_656 ? C6 S6 C9 82.1(8) . 2_656 ? S7 S6 C9 77.7(5) . 2_656 ? C13A S6 C9 90.6(6) . 2_656 ? S4 S6 C9 88.5(5) . 2_656 ? C2 S6 C9 153.6(7) . 2_656 ? S19 S6 C9 82.0(5) 1_545 2_656 ? S17 S6 C9 82.8(5) 1_545 2_656 ? C7 S7 C11 95.4(14) . . ? C7 S7 C10 67.8(12) . . ? C11 S7 C10 27.6(11) . . ? C7 S7 C6 24.3(11) . . ? C11 S7 C6 119.6(12) . . ? C10 S7 C6 92.1(9) . . ? C7 S7 S6 32.4(10) . . ? C11 S7 S6 63.0(10) . . ? C10 S7 S6 35.4(6) . . ? C6 S7 S6 56.7(6) . . ? C7 S7 O7 168.4(13) . 1_556 ? C11 S7 O7 86.8(11) . 1_556 ? C10 S7 O7 113.9(8) . 1_556 ? C6 S7 O7 151.0(8) . 1_556 ? S6 S7 O7 147.5(6) . 1_556 ? C7 S7 S9A 121.1(10) . . ? C11 S7 S9A 25.8(10) . . ? C10 S7 S9A 53.3(7) . . ? C6 S7 S9A 145.4(7) . . ? S6 S7 S9A 88.7(3) . . ? O7 S7 S9A 62.0(5) 1_556 . ? C7 S7 S5 57.1(10) . . ? C11 S7 S5 152.5(11) . . ? C10 S7 S5 124.9(7) . . ? C6 S7 S5 32.9(6) . . ? S6 S7 S5 89.5(3) . . ? O7 S7 S5 120.1(5) 1_556 . ? S9A S7 S5 177.6(4) . . ? C7 S7 C3 80.7(12) . . ? C11 S7 C3 85.5(12) . . ? C10 S7 C3 82.0(8) . . ? C6 S7 C3 82.7(8) . . ? S6 S7 C3 78.4(5) . . ? O7 S7 C3 88.1(7) 1_556 . ? S9A S7 C3 91.7(5) . . ? S5 S7 C3 89.6(5) . . ? C7 S7 C8 77.6(11) . 2_656 ? C11 S7 C8 85.3(12) . 2_656 ? C10 S7 C8 79.3(8) . 2_656 ? C6 S7 C8 82.2(8) . 2_656 ? S6 S7 C8 77.1(5) . 2_656 ? O7 S7 C8 114.0(7) 1_556 2_656 ? S9A S7 C8 89.8(5) . 2_656 ? S5 S7 C8 88.2(5) . 2_656 ? C3 S7 C8 155.4(6) . 2_656 ? C7 S7 S26A 117.3(10) . . ? C11 S7 S26A 142.5(11) . . ? C10 S7 S26A 162.5(8) . . ? C6 S7 S26A 93.9(6) . . ? S6 S7 S26A 146.5(4) . . ? O7 S7 S26A 57.5(5) 1_556 . ? S9A S7 S26A 119.3(4) . . ? S5 S7 S26A 62.9(3) . . ? C3 S7 S26A 82.4(5) . . ? C8 S7 S26A 117.8(5) 2_656 . ? C7 S7 C4A 102.4(11) . . ? C11 S7 C4A 72.4(12) . . ? C10 S7 C4A 80.1(8) . . ? C6 S7 C4A 107.2(7) . . ? S6 S7 C4A 91.0(4) . . ? O7 S7 C4A 67.3(6) 1_556 . ? S9A S7 C4A 70.8(4) . . ? S5 S7 C4A 110.8(4) . . ? C3 S7 C4A 24.5(5) . . ? C8 S7 C4A 157.6(6) 2_656 . ? S26A S7 C4A 82.4(4) . . ? C7 S7 S2 78.2(11) . . ? C11 S7 S2 112.2(12) . . ? C10 S7 S2 105.4(8) . . ? C6 S7 S2 69.5(7) . . ? S6 S7 S2 90.5(3) . . ? O7 S7 S2 90.4(5) 1_556 . ? S9A S7 S2 116.0(4) . . ? S5 S7 S2 65.6(3) . . ? C3 S7 S2 26.8(4) . . ? C8 S7 S2 151.3(5) 2_656 . ? S26A S7 S2 61.8(3) . . ? C4A S7 S2 45.2(3) . . ? C7 C6 S5 121(2) . . ? C7 C6 S4 123(2) . . ? S5 C6 S4 115.7(15) . . ? C7 C6 C9 165(2) . . ? S5 C6 C9 43.3(9) . . ? S4 C6 C9 72.5(11) . . ? C7 C6 C8 165(2) . . ? S5 C6 C8 73.3(11) . . ? S4 C6 C8 42.4(9) . . ? C9 C6 C8 30.1(9) . . ? C7 C6 S6 34.2(14) . . ? S5 C6 S6 155.6(14) . . ? S4 C6 S6 88.7(11) . . ? C9 C6 S6 161.1(13) . . ? C8 C6 S6 131.1(13) . . ? C7 C6 S7 31.6(14) . . ? S5 C6 S7 89.9(11) . . ? S4 C6 S7 154.4(15) . . ? C9 C6 S7 133.1(13) . . ? C8 C6 S7 163.2(13) . . ? S6 C6 S7 65.8(7) . . ? C7 C6 C1 96(2) . . ? S5 C6 C1 88.2(12) . . ? S4 C6 C1 88.8(12) . . ? C9 C6 C1 85.2(11) . . ? C8 C6 C1 85.6(11) . . ? S6 C6 C1 94.2(9) . . ? S7 C6 C1 93.1(9) . . ? C7 C6 C6 93(2) . 2_656 ? S5 C6 C6 87.3(13) . 2_656 ? S4 C6 C6 86.8(12) . 2_656 ? C9 C6 C6 86.7(12) . 2_656 ? C8 C6 C6 86.4(12) . 2_656 ? S6 C6 C6 92.8(11) . 2_656 ? S7 C6 C6 93.9(11) . 2_656 ? C1 C6 C6 171.6(13) . 2_656 ? C7 C6 S2 81.1(18) . . ? S5 C6 S2 77.4(10) . . ? S4 C6 S2 115.2(13) . . ? C9 C6 S2 93.4(10) . . ? C8 C6 S2 105.1(11) . . ? S6 C6 S2 94.3(8) . . ? S7 C6 S2 69.3(6) . . ? C1 C6 S2 26.4(5) . . ? C6 C6 S2 157.0(12) 2_656 . ? C6 C7 S7 124(2) . . ? C6 C7 S6 120(2) . . ? S7 C7 S6 115.7(16) . . ? C6 C7 C11 167(2) . . ? S7 C7 C11 42.6(10) . . ? S6 C7 C11 73.1(12) . . ? C6 C7 C10 162(2) . . ? S7 C7 C10 73.9(12) . . ? S6 C7 C10 41.9(9) . . ? C11 C7 C10 31.2(9) . . ? C6 C7 S5 33.5(14) . . ? S7 C7 S5 90.7(12) . . ? S6 C7 S5 153.6(15) . . ? C11 C7 S5 133.4(13) . . ? C10 C7 S5 164.6(14) . . ? C6 C7 S4 32.5(14) . . ? S7 C7 S4 156.6(15) . . ? S6 C7 S4 87.6(11) . . ? C11 C7 S4 160.6(14) . . ? C10 C7 S4 129.4(13) . . ? S5 C7 S4 66.0(7) . . ? C6 C7 C2 101(2) . . ? S7 C7 C2 89.9(12) . . ? S6 C7 C2 74.1(11) . . ? C11 C7 C2 79.0(11) . . ? C10 C7 C2 74.9(11) . . ? S5 C7 C2 106.3(10) . . ? S4 C7 C2 94.9(10) . . ? C6 C7 C9 104(2) . 2_656 ? S7 C7 C9 93.2(13) . 2_656 ? S6 C7 C9 75.2(11) . 2_656 ? C11 C7 C9 81.5(11) . 2_656 ? C10 C7 C9 74.8(11) . 2_656 ? S5 C7 C9 106.1(10) . 2_656 ? S4 C7 C9 94.9(9) . 2_656 ? C2 C7 C9 147.3(10) . 2_656 ? C6 C7 C3 102(2) . . ? S7 C7 C3 72.3(11) . . ? S6 C7 C3 91.6(12) . . ? C11 C7 C3 73.4(11) . . ? C10 C7 C3 80.6(11) . . ? S5 C7 C3 95.5(9) . . ? S4 C7 C3 106.8(10) . . ? C2 C7 C3 20.6(6) . . ? C9 C7 C3 154.2(10) 2_656 . ? C6 C7 C8 105(2) . 2_656 ? S7 C7 C8 75.8(12) . 2_656 ? S6 C7 C8 92.1(12) . 2_656 ? C11 C7 C8 75.6(11) . 2_656 ? C10 C7 C8 79.9(11) . 2_656 ? S5 C7 C8 96.0(9) . 2_656 ? S4 C7 C8 107.0(10) . 2_656 ? C2 C7 C8 153.7(10) . 2_656 ? C9 C7 C8 20.2(6) 2_656 2_656 ? C3 C7 C8 146.1(10) . 2_656 ? C6 C7 C9 10.0(14) . . ? S7 C7 C9 114.2(13) . . ? S6 C7 C9 130.0(13) . . ? C11 C7 C9 156.8(13) . . ? C10 C7 C9 171.9(13) . . ? S5 C7 C9 23.5(5) . . ? S4 C7 C9 42.4(6) . . ? C2 C7 C9 103.5(10) . . ? C9 C7 C9 104.7(9) 2_656 . ? C3 C7 C9 100.7(9) . . ? C8 C7 C9 102.4(9) 2_656 . ? C9 C8 C12A 121(2) . . ? C9 C8 S4 114(2) . . ? C12A C8 S4 125.5(19) . . ? C9 C8 C14 78.6(19) . . ? C12A C8 C14 42.0(11) . . ? S4 C8 C14 167.1(17) . . ? C9 C8 C6 71.6(18) . . ? C12A C8 C6 167.8(19) . . ? S4 C8 C6 42.3(9) . . ? C14 C8 C6 150.2(16) . . ? C9 C8 S8A 38.9(15) . . ? C12A C8 S8A 81.7(13) . . ? S4 C8 S8A 152.7(15) . . ? C14 C8 S8A 39.8(8) . . ? C6 C8 S8A 110.5(12) . . ? C9 C8 S5 32.5(14) . . ? C12A C8 S5 153.0(17) . . ? S4 C8 S5 81.4(10) . . ? C14 C8 S5 111.1(13) . . ? C6 C8 S5 39.1(7) . . ? S8A C8 S5 71.3(8) . . ? C9 C8 S7 103(2) . 2_656 ? C12A C8 S7 83.9(13) . 2_656 ? S4 C8 S7 84.3(11) . 2_656 ? C14 C8 S7 90.3(11) . 2_656 ? C6 C8 S7 94.0(11) . 2_656 ? S8A C8 S7 98.8(9) . 2_656 ? S5 C8 S7 99.7(9) . 2_656 ? C9 C8 S2 102(2) . 2_556 ? C12A C8 S2 83.3(14) . 2_556 ? S4 C8 S2 86.4(11) . 2_556 ? C14 C8 S2 93.8(12) . 2_556 ? C6 C8 S2 94.2(10) . 2_556 ? S8A C8 S2 99.7(9) . 2_556 ? S5 C8 S2 101.1(8) . 2_556 ? S7 C8 S2 155.6(9) 2_656 2_556 ? C9 C8 C7 80(2) . 2_656 ? C12A C8 C7 107.2(16) . 2_656 ? S4 C8 C7 81.4(12) . 2_656 ? C14 C8 C7 99.0(13) . 2_656 ? C6 C8 C7 74.0(10) . 2_656 ? S8A C8 C7 89.5(10) . 2_656 ? S5 C8 C7 73.1(8) . 2_656 ? S7 C8 C7 26.6(5) 2_656 2_656 ? S2 C8 C7 167.1(9) 2_556 2_656 ? C9 C8 C1 78.9(19) . 2_556 ? C12A C8 C1 106.2(16) . 2_556 ? S4 C8 C1 83.7(11) . 2_556 ? C14 C8 C1 102.1(13) . 2_556 ? C6 C8 C1 74.5(10) . 2_556 ? S8A C8 C1 90.1(9) . 2_556 ? S5 C8 C1 74.7(8) . 2_556 ? S7 C8 C1 167.5(9) 2_656 2_556 ? S2 C8 C1 26.4(5) 2_556 2_556 ? C7 C8 C1 146.2(10) 2_656 2_556 ? C8 C9 S5 123(2) . . ? C8 C9 S8A 113(2) . . ? S5 C9 S8A 123.9(17) . . ? C8 C9 C6 78.3(18) . . ? S5 C9 C6 44.7(9) . . ? S8A C9 C6 168.6(17) . . ? C8 C9 C12A 32.3(14) . . ? S5 C9 C12A 155.3(16) . . ? S8A C9 C12A 80.7(11) . . ? C6 C9 C12A 110.6(13) . . ? C8 C9 C14 70.2(18) . . ? S5 C9 C14 166.4(17) . . ? S8A C9 C14 42.8(9) . . ? C6 C9 C14 148.4(15) . . ? C12A C9 C14 37.9(8) . . ? C8 C9 S4 38.2(14) . . ? S5 C9 S4 84.8(11) . . ? S8A C9 S4 151.1(15) . . ? C6 C9 S4 40.1(8) . . ? C12A C9 S4 70.5(8) . . ? C14 C9 S4 108.3(12) . . ? C8 C9 S1 103(2) . 2_556 ? S5 C9 S1 86.9(11) . 2_556 ? S8A C9 S1 83.1(11) . 2_556 ? C6 C9 S1 95.8(10) . 2_556 ? C12A C9 S1 99.3(10) . 2_556 ? C14 C9 S1 93.4(12) . 2_556 ? S4 C9 S1 102.9(9) . 2_556 ? C8 C9 S6 103(2) . 2_656 ? S5 C9 S6 83.1(11) . 2_656 ? S8A C9 S6 82.4(11) . 2_656 ? C6 C9 S6 94.0(11) . 2_656 ? C12A C9 S6 99.9(10) . 2_656 ? C14 C9 S6 90.8(11) . 2_656 ? S4 C9 S6 100.4(9) . 2_656 ? S1 C9 S6 153.7(8) 2_556 2_656 ? C8 C9 C7 80(2) . 2_656 ? S5 C9 C7 82.8(12) . 2_656 ? S8A C9 C7 105.0(13) . 2_656 ? C6 C9 C7 74.8(11) . 2_656 ? C12A C9 C7 89.0(10) . 2_656 ? C14 C9 C7 97.2(12) . 2_656 ? S4 C9 C7 73.4(8) . 2_656 ? S1 C9 C7 169.4(9) 2_556 2_656 ? S6 C9 C7 27.1(5) 2_656 2_656 ? C8 C9 C1 81.0(19) . 2_556 ? S5 C9 C1 85.8(11) . 2_556 ? S8A C9 C1 106.5(13) . 2_556 ? C6 C9 C1 75.8(10) . 2_556 ? C12A C9 C1 88.9(10) . 2_556 ? C14 C9 C1 100.7(12) . 2_556 ? S4 C9 C1 75.5(8) . 2_556 ? S1 C9 C1 27.5(4) 2_556 2_556 ? S6 C9 C1 168.5(9) 2_656 2_556 ? C7 C9 C1 147.6(10) 2_656 2_556 ? C8 C9 C7 83.7(18) . . ? S5 C9 C7 39.4(8) . . ? S8A C9 C7 163.2(14) . . ? C6 C9 C7 5.4(8) . . ? C12A C9 C7 116.0(11) . . ? C14 C9 C7 153.7(13) . . ? S4 C9 C7 45.5(6) . . ? S1 C9 C7 95.0(8) 2_556 . ? S6 C9 C7 92.6(8) 2_656 . ? C7 C9 C7 75.3(9) 2_656 . ? C1 C9 C7 76.8(8) 2_556 . ? C11 C10 C13A 117(2) . . ? C11 C10 S6 117(2) . . ? C13A C10 S6 126(2) . . ? C11 C10 C15 75.4(19) . . ? C13A C10 C15 42.0(11) . . ? S6 C10 C15 167(2) . . ? C11 C10 C7 74.0(19) . . ? C13A C10 C7 168.6(19) . . ? S6 C10 C7 42.6(9) . . ? C15 C10 C7 149.3(17) . . ? C11 C10 S9A 35.4(15) . . ? C13A C10 S9A 82.0(13) . . ? S6 C10 S9A 151.9(17) . . ? C15 C10 S9A 40.4(9) . . ? C7 C10 S9A 109.4(13) . . ? C11 C10 S7 35.7(15) . . ? C13A C10 S7 153.0(18) . . ? S6 C10 S7 80.9(11) . . ? C15 C10 S7 111.1(14) . . ? C7 C10 S7 38.3(8) . . ? S9A C10 S7 71.1(8) . . ? C11 C10 C12B 103(2) . 2_656 ? C13A C10 C12B 85.2(14) . 2_656 ? S6 C10 C12B 85.3(12) . 2_656 ? C15 C10 C12B 97.8(13) . 2_656 ? C7 C10 C12B 92.2(11) . 2_656 ? S9A C10 C12B 99.4(10) . 2_656 ? S7 C10 C12B 99.3(9) . 2_656 ? C11 C10 S8A 103(2) . 2_656 ? C13A C10 S8A 85.2(14) . 2_656 ? S6 C10 S8A 85.3(12) . 2_656 ? C15 C10 S8A 97.8(13) . 2_656 ? C7 C10 S8A 92.2(11) . 2_656 ? S9A C10 S8A 99.4(10) . 2_656 ? S7 C10 S8A 99.3(9) . 2_656 ? C12B C10 S8A 0.0(6) 2_656 2_656 ? C11 C10 C5 73(2) . . ? C13A C10 C5 87.7(14) . . ? S6 C10 C5 105.3(14) . . ? C15 C10 C5 71.7(12) . . ? C7 C10 C5 96.2(12) . . ? S9A C10 C5 71.7(9) . . ? S7 C10 C5 83.6(9) . . ? C12B C10 C5 169.4(10) 2_656 . ? S8A C10 C5 169.4(10) 2_656 . ? C11 C10 C14 79(2) . 2_656 ? C13A C10 C14 85.4(15) . 2_656 ? S6 C10 C14 106.8(14) . 2_656 ? C15 C10 C14 80.1(13) . 2_656 ? C7 C10 C14 97.3(12) . 2_656 ? S9A C10 C14 73.0(9) . 2_656 ? S7 C10 C14 87.1(10) . 2_656 ? C12B C10 C14 26.7(5) 2_656 2_656 ? S8A C10 C14 26.7(5) 2_656 2_656 ? C5 C10 C14 144.6(11) . 2_656 ? C11 C10 S3A 98(2) . . ? C13A C10 S3A 86.9(14) . . ? S6 C10 S3A 83.9(12) . . ? C15 C10 S3A 89.1(13) . . ? C7 C10 S3A 91.7(12) . . ? S9A C10 S3A 98.5(9) . . ? S7 C10 S3A 96.4(9) . . ? C12B C10 S3A 159.2(9) 2_656 . ? S8A C10 S3A 159.2(9) 2_656 . ? C5 C10 S3A 27.2(5) . . ? C14 C10 S3A 169.2(10) 2_656 . ? C10 C11 S9A 116(2) . . ? C10 C11 S7 117(2) . . ? S9A C11 S7 127.2(19) . . ? C10 C11 C15 71.3(19) . . ? S9A C11 C15 45.2(11) . . ? S7 C11 C15 171.7(19) . . ? C10 C11 C7 74.7(19) . . ? S9A C11 C7 168.9(19) . . ? S7 C11 C7 42.0(9) . . ? C15 C11 C7 145.8(17) . . ? C10 C11 C13A 34.0(15) . . ? S9A C11 C13A 82.0(13) . . ? S7 C11 C13A 150.6(17) . . ? C15 C11 C13A 37.4(9) . . ? C7 C11 C13A 108.7(13) . . ? C10 C11 S6 35.6(15) . . ? S9A C11 S6 151.6(17) . . ? S7 C11 S6 81.1(11) . . ? C15 C11 S6 106.7(14) . . ? C7 C11 S6 39.2(8) . . ? C13A C11 S6 69.5(9) . . ? C10 C11 O7 171(2) . 1_556 ? S9A C11 O7 66.1(11) . 1_556 ? S7 C11 O7 62.6(10) . 1_556 ? C15 C11 O7 109.1(13) . 1_556 ? C7 C11 O7 103.9(12) . 1_556 ? C13A C11 O7 146.1(12) . 1_556 ? S6 C11 O7 141.8(12) . 1_556 ? C10 C11 C5 85(2) . . ? S9A C11 C5 84.8(13) . . ? S7 C11 C5 103.5(14) . . ? C15 C11 C5 74.1(13) . . ? C7 C11 C5 99.8(13) . . ? C13A C11 C5 79.2(10) . . ? S6 C11 C5 91.0(10) . . ? O7 C11 C5 86.5(9) 1_556 . ? C10 C11 C14 79(2) . 2_656 ? S9A C11 C14 82.2(13) . 2_656 ? S7 C11 C14 103.8(14) . 2_656 ? C15 C11 C14 79.5(13) . 2_656 ? C7 C11 C14 97.5(12) . 2_656 ? C13A C11 C14 74.9(10) . 2_656 ? S6 C11 C14 88.9(10) . 2_656 ? O7 C11 C14 110.0(10) 1_556 2_656 ? C5 C11 C14 152.4(11) . 2_656 ? C10 C11 C4A 105(2) . . ? S9A C11 C4A 89.3(13) . . ? S7 C11 C4A 81.0(12) . . ? C15 C11 C4A 94.8(13) . . ? C7 C11 C4A 90.7(12) . . ? C13A C11 C4A 104.4(11) . . ? S6 C11 C4A 98.8(10) . . ? O7 C11 C4A 65.7(7) 1_556 . ? C5 C11 C4A 25.2(6) . . ? C14 C11 C4A 171.5(11) 2_656 . ? C10 C11 S8B 99(2) . 2_656 ? S9A C11 S8B 87.2(13) . 2_656 ? S7 C11 S8B 81.3(12) . 2_656 ? C15 C11 S8B 100.3(14) . 2_656 ? C7 C11 S8B 88.0(11) . 2_656 ? C13A C11 S8B 99.9(10) . 2_656 ? S6 C11 S8B 96.1(9) . 2_656 ? O7 C11 S8B 90.1(9) 1_556 2_656 ? C5 C11 S8B 172.0(11) . 2_656 ? C14 C11 S8B 25.1(5) 2_656 2_656 ? C4A C11 S8B 154.7(10) . 2_656 ? C10 C11 C12A 99(2) . 2_656 ? S9A C11 C12A 87.2(13) . 2_656 ? S7 C11 C12A 81.3(12) . 2_656 ? C15 C11 C12A 100.3(14) . 2_656 ? C7 C11 C12A 88.0(11) . 2_656 ? C13A C11 C12A 99.9(10) . 2_656 ? S6 C11 C12A 96.1(9) . 2_656 ? O7 C11 C12A 90.1(9) 1_556 2_656 ? C5 C11 C12A 172.0(11) . 2_656 ? C14 C11 C12A 25.1(5) 2_656 2_656 ? C4A C11 C12A 154.7(10) . 2_656 ? S8B C11 C12A 0.0(10) 2_656 2_656 ? C10 C11 C3 92(2) . . ? S9A C11 C3 113.5(15) . . ? S7 C11 C3 67.9(11) . . ? C15 C11 C3 110.6(14) . . ? C7 C11 C3 67.3(10) . . ? C13A C11 C3 105.4(11) . . ? S6 C11 C3 76.8(9) . . ? O7 C11 C3 78.7(9) 1_556 . ? C5 C11 C3 36.8(7) . . ? C14 C11 C3 164.3(11) 2_656 . ? C4A C11 C3 24.2(5) . . ? S8B C11 C3 149.0(10) 2_656 . ? C12A C11 C3 149.0(10) 2_656 . ? C12A C14 S8A 115.3(18) . . ? C12A C14 C8 39.7(11) . . ? S8A C14 C8 75.7(13) . . ? C12A C14 C9 70.9(13) . . ? S8A C14 C9 44.5(10) . . ? C8 C14 C9 31.2(9) . . ? C12A C14 O2 163.1(18) . . ? S8A C14 O2 80.5(11) . . ? C8 C14 O2 155.9(14) . . ? C9 C14 O2 124.9(13) . . ? C12A C14 O1 116.8(15) . . ? S8A C14 O1 122.2(14) . . ? C8 C14 O1 151.2(15) . . ? C9 C14 O1 157.0(15) . . ? O2 C14 O1 46.4(7) . . ? C12A C14 C10 96.4(16) . 2_656 ? S8A C14 C10 74.8(13) . 2_656 ? C8 C14 C10 83.6(13) . 2_656 ? C9 C14 C10 76.9(12) . 2_656 ? O2 C14 C10 93.6(10) . 2_656 ? O1 C14 C10 121.2(10) . 2_656 ? C12A C14 C11 79.3(15) . 2_656 ? S8A C14 C11 94.1(14) . 2_656 ? C8 C14 C11 78.8(12) . 2_656 ? C9 C14 C11 83.8(12) . 2_656 ? O2 C14 C11 106.7(11) . 2_656 ? O1 C14 C11 118.4(10) . 2_656 ? C10 C14 C11 21.6(6) 2_656 2_656 ? C12A C14 C13B 84.7(14) . 2_656 ? S8A C14 C13B 114.6(15) . 2_656 ? C8 C14 C13B 98.6(12) . 2_656 ? C9 C14 C13B 109.0(13) . 2_656 ? O2 C14 C13B 94.4(9) . 2_656 ? O1 C14 C13B 93.6(8) . 2_656 ? C10 C14 C13B 40.2(6) 2_656 2_656 ? C11 C14 C13B 25.5(5) 2_656 2_656 ? C12A C14 S9A 84.7(14) . 2_656 ? S8A C14 S9A 114.6(15) . 2_656 ? C8 C14 S9A 98.6(12) . 2_656 ? C9 C14 S9A 109.0(13) . 2_656 ? O2 C14 S9A 94.4(9) . 2_656 ? O1 C14 S9A 93.6(8) . 2_656 ? C10 C14 S9A 40.2(6) 2_656 2_656 ? C11 C14 S9A 25.5(5) 2_656 2_656 ? C13B C14 S9A 0.0(7) 2_656 2_656 ? C12A C14 C3 73.6(14) . 2_556 ? S8A C14 C3 91.0(13) . 2_556 ? C8 C14 C3 75.8(12) . 2_556 ? C9 C14 C3 80.7(11) . 2_556 ? O2 C14 C3 101.3(10) . 2_556 ? O1 C14 C3 81.1(9) . 2_556 ? C10 C14 C3 157.4(10) 2_656 2_556 ? C11 C14 C3 152.0(10) 2_656 2_556 ? C13B C14 C3 152.0(9) 2_656 2_556 ? S9A C14 C3 152.0(9) 2_656 2_556 ? C12A C14 C2 89.6(15) . 2_556 ? S8A C14 C2 73.1(12) . 2_556 ? C8 C14 C2 80.3(12) . 2_556 ? C9 C14 C2 74.3(11) . 2_556 ? O2 C14 C2 89.5(10) . 2_556 ? O1 C14 C2 83.9(9) . 2_556 ? C10 C14 C2 146.8(10) 2_656 2_556 ? C11 C14 C2 157.7(11) 2_656 2_556 ? C13B C14 C2 171.9(10) 2_656 2_556 ? S9A C14 C2 171.9(10) 2_656 2_556 ? C3 C14 C2 20.0(6) 2_556 2_556 ? C12A C14 H14A 108.4 . . ? S8A C14 H14A 108.4 . . ? C8 C14 H14A 126.8 . . ? C9 C14 H14A 127.4 . . ? O2 C14 H14A 58.3 . . ? O1 C14 H14A 30.8 . . ? C10 C14 H14A 149.5 2_656 . ? C11 C14 H14A 148.8 2_656 . ? C13B C14 H14A 123.5 2_656 . ? S9A C14 H14A 123.5 2_656 . ? C3 C14 H14A 51.5 2_556 . ? C2 C14 H14A 53.2 2_556 . ? C12A C14 H14B 108.5 . . ? S8A C14 H14B 108.5 . . ? C8 C14 H14B 121.6 . . ? C9 C14 H14B 122.9 . . ? O2 C14 H14B 69.5 . . ? O1 C14 H14B 76.8 . . ? C10 C14 H14B 46.0 2_656 . ? C11 C14 H14B 43.2 2_656 . ? C13B C14 H14B 24.8 2_656 . ? S9A C14 H14B 24.8 2_656 . ? C3 C14 H14B 156.1 2_556 . ? C2 C14 H14B 158.0 2_556 . ? H14A C14 H14B 107.5 . . ? C13A C15 S9A 118(2) . . ? C13A C15 C10 42.1(12) . . ? S9A C15 C10 76.3(14) . . ? C13A C15 C11 75.4(15) . . ? S9A C15 C11 43.2(11) . . ? C10 C15 C11 33.3(10) . . ? C13A C15 O4 107.6(18) . 2_656 ? S9A C15 O4 106.7(17) . 2_656 ? C10 C15 O4 130.8(16) . 2_656 ? C11 C15 O4 131.5(17) . 2_656 ? C13A C15 O3 84.2(16) . 1_556 ? S9A C15 O3 126.7(17) . 1_556 ? C10 C15 O3 103.2(15) . 1_556 ? C11 C15 O3 116.8(16) . 1_556 ? O4 C15 O3 111.6(11) 2_656 1_556 ? C13A C15 O4 74.2(14) . 1_556 ? S9A C15 O4 166.5(17) . 1_556 ? C10 C15 O4 114.1(15) . 1_556 ? C11 C15 O4 145.6(16) . 1_556 ? O4 C15 O4 73.7(11) 2_656 1_556 ? O3 C15 O4 44.5(7) 1_556 1_556 ? C13A C15 C5 87.0(16) . . ? S9A C15 C5 79.0(14) . . ? C10 C15 C5 70.8(13) . . ? C11 C15 C5 66.9(13) . . ? O4 C15 C5 158.2(12) 2_656 . ? O3 C15 C5 52.6(8) 1_556 . ? O4 C15 C5 95.9(11) 1_556 . ? C13A C15 H15A 107.9 . . ? S9A C15 H15A 107.9 . . ? C10 C15 H15A 132.1 . . ? C11 C15 H15A 133.2 . . ? O4 C15 H15A 1.7 2_656 . ? O3 C15 H15A 109.9 1_556 . ? O4 C15 H15A 72.2 1_556 . ? C5 C15 H15A 156.8 . . ? C13A C15 H15B 107.9 . . ? S9A C15 H15B 107.9 . . ? C10 C15 H15B 116.9 . . ? C11 C15 H15B 116.2 . . ? O4 C15 H15B 108.8 2_656 . ? O3 C15 H15B 24.5 1_556 . ? O4 C15 H15B 60.2 1_556 . ? C5 C15 H15B 50.2 . . ? H15A C15 H15B 107.2 . . ? C16 S10 C18 94.1(12) . . ? C16 S10 C19 66.9(10) . . ? C18 S10 C19 27.1(9) . . ? C16 S10 C17 24.7(9) . . ? C18 S10 C17 118.7(10) . . ? C19 S10 C17 91.6(8) . . ? C16 S10 S11 31.9(8) . . ? C18 S10 S11 62.2(8) . . ? C19 S10 S11 35.1(6) . . ? C17 S10 S11 56.5(5) . . ? C16 S10 S14A 121.5(9) . . ? C18 S10 S14A 27.4(8) . . ? C19 S10 S14A 54.5(6) . . ? C17 S10 S14A 146.1(6) . . ? S11 S10 S14A 89.6(3) . . ? C16 S10 S12 57.9(8) . . ? C18 S10 S12 151.8(9) . . ? C19 S10 S12 124.8(7) . . ? C17 S10 S12 33.2(5) . . ? S11 S10 S12 89.7(3) . . ? S14A S10 S12 178.2(5) . . ? C16 S10 S24 120.9(9) . 2_566 ? C18 S10 S24 139.8(8) . 2_566 ? C19 S10 S24 160.1(7) . 2_566 ? C17 S10 S24 97.1(5) . 2_566 ? S11 S10 S24 149.4(4) . 2_566 ? S14A S10 S24 115.0(3) . 2_566 ? S12 S10 S24 65.1(2) . 2_566 ? C16 S10 S22 163.2(10) . 2_566 ? C18 S10 S22 89.0(8) . 2_566 ? C19 S10 S22 115.0(7) . 2_566 ? C17 S10 S22 147.3(6) . 2_566 ? S11 S10 S22 147.3(4) . 2_566 ? S14A S10 S22 63.2(3) . 2_566 ? S12 S10 S22 116.9(3) . 2_566 ? S24 S10 S22 51.8(2) 2_566 2_566 ? C16 S10 S24 102.1(9) . . ? C18 S10 S24 71.4(9) . . ? C19 S10 S24 78.2(7) . . ? C17 S10 S24 110.0(6) . . ? S11 S10 S24 90.7(3) . . ? S14A S10 S24 67.1(3) . . ? S12 S10 S24 114.6(4) . . ? S24 S10 S24 114.9(3) 2_566 . ? S22 S10 S24 94.5(3) 2_566 . ? C19 S11 C16 93.1(12) . . ? C19 S11 C18 24.8(10) . . ? C16 S11 C18 68.3(10) . . ? C19 S11 C17 118.9(11) . . ? C16 S11 C17 25.8(9) . . ? C18 S11 C17 94.1(7) . . ? C19 S11 S10 61.6(9) . . ? C16 S11 S10 31.6(8) . . ? C18 S11 S10 36.8(5) . . ? C17 S11 S10 57.4(5) . . ? C19 S11 C22A 26.5(10) . . ? C16 S11 C22A 119.6(10) . . ? C18 S11 C22A 51.2(6) . . ? C17 S11 C22A 145.4(7) . . ? S10 S11 C22A 88.0(5) . . ? C19 S11 S13 151.3(10) . . ? C16 S11 S13 58.2(8) . . ? C18 S11 S13 126.5(6) . . ? C17 S11 S13 32.4(5) . . ? S10 S11 S13 89.8(3) . . ? C22A S11 S13 177.7(5) . . ? C19 S11 S1 141.6(10) . 2_556 ? C16 S11 S1 119.2(9) . 2_556 ? C18 S11 S1 159.2(6) . 2_556 ? C17 S11 S1 95.4(6) . 2_556 ? S10 S11 S1 147.0(4) . 2_556 ? C22A S11 S1 117.3(5) . 2_556 ? S13 S11 S1 64.9(2) . 2_556 ? C19 S11 C4B 92.5(9) . 2_556 ? C16 S11 C4B 158.0(11) . 2_556 ? C18 S11 C4B 115.5(6) . 2_556 ? C17 S11 C4B 143.4(6) . 2_556 ? S10 S11 C4B 146.9(4) . 2_556 ? C22A S11 C4B 67.5(5) . 2_556 ? S13 S11 C4B 114.8(3) . 2_556 ? S1 S11 C4B 49.8(2) 2_556 2_556 ? C19 S11 S3A 92.5(9) . 2_556 ? C16 S11 S3A 158.0(11) . 2_556 ? C18 S11 S3A 115.5(6) . 2_556 ? C17 S11 S3A 143.4(6) . 2_556 ? S10 S11 S3A 146.9(4) . 2_556 ? C22A S11 S3A 67.5(5) . 2_556 ? S13 S11 S3A 114.8(3) . 2_556 ? S1 S11 S3A 49.8(2) 2_556 2_556 ? C4B S11 S3A 0.0(7) 2_556 2_556 ? C20 S12 C17 94.2(12) . . ? C20 S12 C21 26.7(10) . . ? C17 S12 C21 67.5(9) . . ? C20 S12 C16 119.6(11) . . ? C17 S12 C16 25.4(9) . . ? C21 S12 C16 92.9(8) . . ? C20 S12 C23A 25.8(10) . . ? C17 S12 C23A 120.0(10) . . ? C21 S12 C23A 52.5(7) . . ? C16 S12 C23A 145.5(8) . . ? C20 S12 S13 62.4(9) . . ? C17 S12 S13 31.8(8) . . ? C21 S12 S13 35.7(5) . . ? C16 S12 S13 57.3(6) . . ? C23A S12 S13 88.2(5) . . ? C20 S12 S10 152.3(9) . . ? C17 S12 S10 58.1(8) . . ? C21 S12 S10 125.6(6) . . ? C16 S12 S10 32.6(5) . . ? C23A S12 S10 178.0(6) . . ? S13 S12 S10 89.9(3) . . ? C20 S12 C43B 95.2(9) . 2_566 ? C17 S12 C43B 163.4(10) . 2_566 ? C21 S12 C43B 120.9(6) . 2_566 ? C16 S12 C43B 142.8(6) . 2_566 ? C23A S12 C43B 69.9(5) . 2_566 ? S13 S12 C43B 153.9(4) . 2_566 ? S10 S12 C43B 111.7(3) . 2_566 ? C20 S12 S27A 95.2(9) . 2_566 ? C17 S12 S27A 163.4(10) . 2_566 ? C21 S12 S27A 120.9(6) . 2_566 ? C16 S12 S27A 142.8(6) . 2_566 ? C23A S12 S27A 69.9(5) . 2_566 ? S13 S12 S27A 153.9(4) . 2_566 ? S10 S12 S27A 111.7(3) . 2_566 ? C43B S12 S27A 0.0(7) 2_566 2_566 ? C20 S12 C28 85.0(11) . 2_566 ? C17 S12 C28 80.5(10) . 2_566 ? C21 S12 C28 80.8(7) . 2_566 ? C16 S12 C28 83.9(7) . 2_566 ? C23A S12 C28 89.2(7) . 2_566 ? S13 S12 C28 78.7(5) . 2_566 ? S10 S12 C28 89.8(5) . 2_566 ? C43B S12 C28 86.8(5) 2_566 2_566 ? S27A S12 C28 86.8(5) 2_566 2_566 ? C20 S12 C38 85.7(11) . . ? C17 S12 C38 79.3(10) . . ? C21 S12 C38 81.4(7) . . ? C16 S12 C38 82.5(7) . . ? C23A S12 C38 91.5(7) . . ? S13 S12 C38 78.3(5) . . ? S10 S12 C38 88.8(5) . . ? C43B S12 C38 115.0(5) 2_566 . ? S27A S12 C38 115.0(5) 2_566 . ? C28 S12 C38 157.0(6) 2_566 . ? C20 S12 S24 143.1(9) . 2_566 ? C17 S12 S24 118.8(8) . 2_566 ? C21 S12 S24 163.2(7) . 2_566 ? C16 S12 S24 94.3(6) . 2_566 ? C23A S12 S24 118.8(5) . 2_566 ? S13 S12 S24 148.2(4) . 2_566 ? S10 S12 S24 62.8(2) . 2_566 ? C43B S12 S24 48.9(2) 2_566 2_566 ? S27A S12 S24 48.9(2) 2_566 2_566 ? C28 S12 S24 84.9(5) 2_566 2_566 ? C38 S12 S24 114.6(5) . 2_566 ? C20 S12 C42A 72.5(10) . . ? C17 S12 C42A 101.4(10) . . ? C21 S12 C42A 79.3(7) . . ? C16 S12 C42A 107.5(7) . . ? C23A S12 C42A 70.2(6) . . ? S13 S12 C42A 91.2(4) . . ? S10 S12 C42A 110.5(4) . . ? C43B S12 C42A 94.4(4) 2_566 . ? S27A S12 C42A 94.4(4) 2_566 . ? C28 S12 C42A 157.4(5) 2_566 . ? C38 S12 C42A 25.1(4) . . ? S24 S12 C42A 112.7(4) 2_566 . ? C20 S12 S16 110.9(11) . 2_566 ? C17 S12 S16 78.5(9) . 2_566 ? C21 S12 S16 103.8(7) . 2_566 ? C16 S12 S16 71.0(6) . 2_566 ? C23A S12 S16 112.8(6) . 2_566 ? S13 S12 S16 90.5(3) . 2_566 ? S10 S12 S16 66.6(3) . 2_566 ? C43B S12 S16 85.4(3) 2_566 2_566 ? S27A S12 S16 85.4(3) 2_566 2_566 ? C28 S12 S16 26.0(4) 2_566 2_566 ? C38 S12 S16 153.1(5) . 2_566 ? S24 S12 S16 64.7(2) 2_566 2_566 ? C42A S12 S16 176.6(3) . 2_566 ? C17 S13 C21 94.6(12) . . ? C17 S13 C20 67.5(9) . . ? C21 S13 C20 27.1(9) . . ? C17 S13 C16 24.6(9) . . ? C21 S13 C16 119.1(10) . . ? C20 S13 C16 92.1(8) . . ? C17 S13 S12 32.8(8) . . ? C21 S13 S12 61.7(8) . . ? C20 S13 S12 34.7(5) . . ? C16 S13 S12 57.4(5) . . ? C17 S13 S15A 121.9(9) . . ? C21 S13 S15A 27.4(8) . . ? C20 S13 S15A 54.4(6) . . ? C16 S13 S15A 146.4(6) . . ? S12 S13 S15A 89.1(3) . . ? C17 S13 S11 57.7(8) . . ? C21 S13 S11 152.2(9) . . ? C20 S13 S11 125.2(6) . . ? C16 S13 S11 33.1(5) . . ? S12 S13 S11 90.5(3) . . ? S15A S13 S11 179.5(4) . . ? C17 S13 S1 117.3(8) . 2_556 ? C21 S13 S1 142.5(9) . 2_556 ? C20 S13 S1 160.8(7) . 2_556 ? C16 S13 S1 94.1(5) . 2_556 ? S12 S13 S1 146.9(3) . 2_556 ? S15A S13 S1 117.2(3) . 2_556 ? S11 S13 S1 63.1(2) . 2_556 ? C17 S13 S2 158.1(9) . . ? C21 S13 S2 91.6(8) . . ? C20 S13 S2 116.7(6) . . ? C16 S13 S2 143.3(6) . . ? S12 S13 S2 146.7(4) . . ? S15A S13 S2 65.7(3) . . ? S11 S13 S2 114.6(3) . . ? S1 S13 S2 51.5(2) 2_556 . ? C17 S13 C29 79.3(10) . 2_566 ? C21 S13 C29 83.9(10) . 2_566 ? C20 S13 C29 79.5(8) . 2_566 ? C16 S13 C29 83.2(8) . 2_566 ? S12 S13 C29 77.1(6) . 2_566 ? S15A S13 C29 90.9(5) . 2_566 ? S11 S13 C29 89.1(5) . 2_566 ? S1 S13 C29 119.3(6) 2_556 2_566 ? S2 S13 C29 122.2(6) . 2_566 ? C17 S13 C39 78.1(10) . . ? C21 S13 C39 84.9(10) . . ? C20 S13 C39 79.8(8) . . ? C16 S13 C39 81.8(7) . . ? S12 S13 C39 76.8(5) . . ? S15A S13 C39 89.8(5) . . ? S11 S13 C39 89.9(5) . . ? S1 S13 C39 83.1(5) 2_556 . ? S2 S13 C39 81.6(5) . . ? C29 S13 C39 153.9(7) 2_566 . ? C17 C16 S10 123.2(19) . . ? C17 C16 S11 120.2(19) . . ? S10 C16 S11 116.5(14) . . ? C17 C16 C19 163(2) . . ? S10 C16 C19 73.7(11) . . ? S11 C16 C19 42.9(9) . . ? C17 C16 C18 166.8(19) . . ? S10 C16 C18 43.9(8) . . ? S11 C16 C18 72.7(10) . . ? C19 C16 C18 29.8(8) . . ? C17 C16 S12 33.8(12) . . ? S10 C16 S12 89.5(10) . . ? S11 C16 S12 153.9(13) . . ? C19 C16 S12 162.9(12) . . ? C18 C16 S12 133.2(11) . . ? C17 C16 S13 31.6(12) . . ? S10 C16 S13 154.8(13) . . ? S11 C16 S13 88.6(10) . . ? C19 C16 S13 131.5(12) . . ? C18 C16 S13 161.2(12) . . ? S12 C16 S13 65.3(6) . . ? C17 C16 C36 93.5(18) . . ? S10 C16 C36 88.4(11) . . ? S11 C16 C36 90.5(11) . . ? C19 C16 C36 89.6(11) . . ? C18 C16 C36 89.1(10) . . ? S12 C16 C36 92.9(9) . . ? S13 C16 C36 93.1(9) . . ? C17 C16 C26 92.2(18) . 2_566 ? S10 C16 C26 88.0(10) . 2_566 ? S11 C16 C26 87.1(12) . 2_566 ? C19 C16 C26 85.0(10) . 2_566 ? C18 C16 C26 85.1(10) . 2_566 ? S12 C16 C26 91.5(8) . 2_566 ? S13 C16 C26 92.1(9) . 2_566 ? C36 C16 C26 174.2(10) . 2_566 ? C17 C16 C20 11.4(13) . . ? S10 C16 C20 111.8(11) . . ? S11 C16 C20 131.6(12) . . ? C19 C16 C20 173.8(12) . . ? C18 C16 C20 155.5(11) . . ? S12 C16 C20 22.4(5) . . ? S13 C16 C20 43.0(5) . . ? C36 C16 C20 93.4(9) . . ? C26 C16 C20 92.1(8) 2_566 . ? C17 C16 C37 114.8(19) . . ? S10 C16 C37 78.0(10) . . ? S11 C16 C37 78.8(10) . . ? C19 C16 C37 68.9(10) . . ? C18 C16 C37 68.7(9) . . ? S12 C16 C37 111.1(10) . . ? S13 C16 C37 110.4(9) . . ? C36 C16 C37 21.3(6) . . ? C26 C16 C37 152.9(9) 2_566 . ? C20 C16 C37 114.5(9) . . ? C17 C16 C21 8.6(13) . . ? S10 C16 C21 131.8(11) . . ? S11 C16 C21 111.6(11) . . ? C19 C16 C21 154.4(12) . . ? C18 C16 C21 174.9(11) . . ? S12 C16 C21 42.4(5) . . ? S13 C16 C21 23.0(4) . . ? C36 C16 C21 93.5(8) . . ? C26 C16 C21 92.2(8) 2_566 . ? C20 C16 C21 20.0(5) . . ? C37 C16 C21 114.4(9) . . ? C16 C17 S13 123.9(19) . . ? C16 C17 S12 120.8(19) . . ? S13 C17 S12 115.3(13) . . ? C16 C17 C20 162.5(19) . . ? S13 C17 C20 73.6(10) . . ? S12 C17 C20 41.7(8) . . ? C16 C17 C21 166.8(19) . . ? S13 C17 C21 42.9(8) . . ? S12 C17 C21 72.4(10) . . ? C20 C17 C21 30.7(8) . . ? C16 C17 S11 34.0(12) . . ? S13 C17 S11 89.9(10) . . ? S12 C17 S11 154.8(12) . . ? C20 C17 S11 163.5(12) . . ? C21 C17 S11 132.8(11) . . ? C16 C17 S10 32.1(12) . . ? S13 C17 S10 156.0(12) . . ? S12 C17 S10 88.7(9) . . ? C20 C17 S10 130.4(11) . . ? C21 C17 S10 161.1(11) . . ? S11 C17 S10 66.1(6) . . ? C16 C17 C39 103.1(18) . . ? S13 C17 C39 75.4(10) . . ? S12 C17 C39 91.0(11) . . ? C20 C17 C39 80.1(10) . . ? C21 C17 C39 75.2(9) . . ? S11 C17 C39 97.2(8) . . ? S10 C17 C39 106.2(9) . . ? C16 C17 C38 102.6(19) . . ? S13 C17 C38 92.7(11) . . ? S12 C17 C38 73.6(10) . . ? C20 C17 C38 74.4(10) . . ? C21 C17 C38 80.5(10) . . ? S11 C17 C38 108.5(8) . . ? S10 C17 C38 94.7(8) . . ? C39 C17 C38 20.5(5) . . ? C16 C17 C29 104.5(19) . 2_566 ? S13 C17 C29 74.3(10) . 2_566 ? S12 C17 C29 90.3(10) . 2_566 ? C20 C17 C29 79.0(10) . 2_566 ? C21 C17 C29 73.7(10) . 2_566 ? S11 C17 C29 95.5(9) . 2_566 ? S10 C17 C29 106.9(9) . 2_566 ? C39 C17 C29 146.9(9) . 2_566 ? C38 C17 C29 152.8(9) . 2_566 ? C16 C17 C28 103.9(18) . 2_566 ? S13 C17 C28 92.1(11) . 2_566 ? S12 C17 C28 72.3(9) . 2_566 ? C20 C17 C28 73.0(9) . 2_566 ? C21 C17 C28 79.2(9) . 2_566 ? S11 C17 C28 107.0(9) . 2_566 ? S10 C17 C28 95.1(8) . 2_566 ? C39 C17 C28 152.7(9) . 2_566 ? C38 C17 C28 144.2(8) . 2_566 ? C29 C17 C28 21.1(6) 2_566 2_566 ? C16 C17 C19 11.1(13) . . ? S13 C17 C19 112.9(11) . . ? S12 C17 C19 131.7(11) . . ? C20 C17 C19 173.2(11) . . ? C21 C17 C19 155.7(11) . . ? S11 C17 C19 23.0(5) . . ? S10 C17 C19 43.1(5) . . ? C39 C17 C19 103.1(8) . . ? C38 C17 C19 106.5(8) . . ? C29 C17 C19 100.5(9) 2_566 . ? C28 C17 C19 104.1(9) 2_566 . ? C16 C17 S23 80.8(16) . . ? S13 C17 S23 77.4(9) . . ? S12 C17 S23 113.8(12) . . ? C20 C17 S23 105.3(10) . . ? C21 C17 S23 94.1(9) . . ? S11 C17 S23 71.4(6) . . ? S10 C17 S23 93.8(7) . . ? C39 C17 S23 25.9(4) . . ? C38 C17 S23 40.3(5) . . ? C29 C17 S23 148.8(8) 2_566 . ? C28 C17 S23 169.3(8) 2_566 . ? C19 C17 S23 78.6(6) . . ? C16 C17 C36 66.0(16) . . ? S13 C17 C36 103.3(11) . . ? S12 C17 C36 102.1(12) . . ? C20 C17 C36 112.7(11) . . ? C21 C17 C36 113.4(11) . . ? S11 C17 C36 71.7(7) . . ? S10 C17 C36 70.1(7) . . ? C39 C17 C36 38.2(6) . . ? C38 C17 C36 38.4(6) . . ? C29 C17 C36 167.1(9) 2_566 . ? C28 C17 C36 164.5(9) 2_566 . ? C19 C17 C36 68.4(7) . . ? S23 C17 C36 25.9(4) . . ? C19 C18 S14A 122.7(19) . . ? C19 C18 S10 114.3(19) . . ? S14A C18 S10 123.0(14) . . ? C19 C18 C24 75.5(17) . . ? S14A C18 C24 47.2(10) . . ? S10 C18 C24 170.2(15) . . ? C19 C18 C22A 38.1(14) . . ? S14A C18 C22A 84.6(10) . . ? S10 C18 C22A 152.3(14) . . ? C24 C18 C22A 37.5(9) . . ? C19 C18 C16 72.2(16) . . ? S14A C18 C16 164.9(15) . . ? S10 C18 C16 42.1(8) . . ? C24 C18 C16 147.8(14) . . ? C22A C18 C16 110.3(11) . . ? C19 C18 S11 33.2(13) . . ? S14A C18 S11 155.8(13) . . ? S10 C18 S11 81.0(9) . . ? C24 C18 S11 108.8(12) . . ? C22A C18 S11 71.3(8) . . ? C16 C18 S11 39.0(7) . . ? C19 C18 S24 103.3(19) . . ? S14A C18 S24 83.2(10) . . ? S10 C18 S24 81.2(10) . . ? C24 C18 S24 96.7(12) . . ? C22A C18 S24 101.0(9) . . ? C16 C18 S24 91.0(10) . . ? S11 C18 S24 99.4(8) . . ? C19 C18 S18 102.8(19) . 2_566 ? S14A C18 S18 84.3(10) . 2_566 ? S10 C18 S18 86.5(9) . 2_566 ? C24 C18 S18 91.5(11) . 2_566 ? C22A C18 S18 100.6(10) . 2_566 ? C16 C18 S18 95.2(9) . 2_566 ? S11 C18 S18 101.4(8) . 2_566 ? S24 C18 S18 153.8(7) . 2_566 ? C19 C18 C37 79.5(18) . . ? S14A C18 C37 106.5(12) . . ? S10 C18 C37 79.9(10) . . ? C24 C18 C37 102.6(12) . . ? C22A C18 C37 89.9(9) . . ? C16 C18 C37 72.0(9) . . ? S11 C18 C37 72.7(7) . . ? S24 C18 C37 26.8(4) . . ? S18 C18 C37 165.8(8) 2_566 . ? C19 C18 C27 79.3(18) . 2_566 ? S14A C18 C27 108.8(12) . 2_566 ? S10 C18 C27 83.5(10) . 2_566 ? C24 C18 C27 99.1(13) . 2_566 ? C22A C18 C27 90.6(10) . 2_566 ? C16 C18 C27 74.7(9) . 2_566 ? S11 C18 C27 74.0(7) . 2_566 ? S24 C18 C27 164.1(8) . 2_566 ? S18 C18 C27 27.4(4) 2_566 2_566 ? C37 C18 C27 144.6(8) . 2_566 ? C19 C18 C40 92.3(18) . . ? S14A C18 C40 68.4(10) . . ? S10 C18 C40 108.1(12) . . ? C24 C18 C40 70.2(11) . . ? C22A C18 C40 77.5(9) . . ? C16 C18 C40 111.2(11) . . ? S11 C18 C40 103.6(8) . . ? S24 C18 C40 26.9(5) . . ? S18 C18 C40 152.7(8) 2_566 . ? C37 C18 C40 39.2(6) . . ? C27 C18 C40 167.9(9) 2_566 . ? C18 C19 C22A 112(2) . . ? C18 C19 S11 122(2) . . ? C22A C19 S11 125.7(18) . . ? C18 C19 C24 72.6(17) . . ? C22A C19 C24 39.8(11) . . ? S11 C19 C24 165.4(17) . . ? C18 C19 C16 78.0(16) . . ? C22A C19 C16 169.5(18) . . ? S11 C19 C16 44.0(8) . . ? C24 C19 C16 150.6(15) . . ? C18 C19 S10 38.6(13) . . ? C22A C19 S10 150.8(16) . . ? S11 C19 S10 83.4(10) . . ? C24 C19 S10 111.2(12) . . ? C16 C19 S10 39.4(7) . . ? C18 C19 S14A 32.5(12) . . ? C22A C19 S14A 79.8(12) . . ? S11 C19 S14A 154.4(14) . . ? C24 C19 S14A 40.2(8) . . ? C16 C19 S14A 110.4(11) . . ? S10 C19 S14A 71.0(7) . . ? C18 C19 S25 102.1(19) . . ? C22A C19 S25 83.8(13) . . ? S11 C19 S25 83.3(11) . . ? C24 C19 S25 94.4(12) . . ? C16 C19 S25 92.0(10) . . ? S10 C19 S25 98.8(9) . . ? S14A C19 S25 99.0(9) . . ? C18 C19 C27 80.7(18) . 2_566 ? C22A C19 C27 107.4(15) . 2_566 ? S11 C19 C27 84.3(11) . 2_566 ? C24 C19 C27 98.9(13) . 2_566 ? C16 C19 C27 75.7(10) . 2_566 ? S10 C19 C27 75.1(7) . 2_566 ? S14A C19 C27 90.3(8) . 2_566 ? S25 C19 C27 166.7(8) . 2_566 ? C18 C19 S19 102.5(19) . 2_566 ? C22A C19 S19 84.1(14) . 2_566 ? S11 C19 S19 86.4(11) . 2_566 ? C24 C19 S19 90.0(12) . 2_566 ? C16 C19 S19 96.0(10) . 2_566 ? S10 C19 S19 102.3(8) . 2_566 ? S14A C19 S19 100.1(8) . 2_566 ? S25 C19 S19 155.2(8) . 2_566 ? C27 C19 S19 27.2(4) 2_566 2_566 ? C18 C19 C37 80.6(18) . . ? C22A C19 C37 105.9(15) . . ? S11 C19 C37 82.0(11) . . ? C24 C19 C37 102.2(13) . . ? C16 C19 C37 72.8(10) . . ? S10 C19 C37 72.5(8) . . ? S14A C19 C37 88.9(9) . . ? S25 C19 C37 26.3(4) . . ? C27 C19 C37 146.0(9) 2_566 . ? S19 C19 C37 167.7(8) 2_566 . ? C18 C19 C17 83.9(16) . . ? C22A C19 C17 163.7(15) . . ? S11 C19 C17 38.1(7) . . ? C24 C19 C17 156.5(13) . . ? C16 C19 C17 6.0(7) . . ? S10 C19 C17 45.3(6) . . ? S14A C19 C17 116.4(9) . . ? S25 C19 C17 91.8(7) . . ? C27 C19 C17 75.5(7) 2_566 . ? S19 C19 C17 93.8(7) 2_566 . ? C37 C19 C17 74.5(7) . . ? C21 C20 C23A 115(2) . . ? C21 C20 S12 118.9(19) . . ? C23A C20 S12 126.4(19) . . ? C21 C20 C25 76.4(15) . . ? C23A C20 C25 38.3(12) . . ? S12 C20 C25 164.6(15) . . ? C21 C20 C17 74.8(15) . . ? C23A C20 C17 170.5(18) . . ? S12 C20 C17 44.1(8) . . ? C25 C20 C17 151.2(14) . . ? C21 C20 S13 35.9(12) . . ? C23A C20 S13 150.6(17) . . ? S12 C20 S13 83.0(10) . . ? C25 C20 S13 112.4(11) . . ? C17 C20 S13 38.9(7) . . ? C21 C20 S15A 35.6(12) . . ? C23A C20 S15A 79.1(13) . . ? S12 C20 S15A 154.5(14) . . ? C25 C20 S15A 40.9(7) . . ? C17 C20 S15A 110.4(11) . . ? S13 C20 S15A 71.6(7) . . ? C21 C20 C42A 103.6(18) . . ? C23A C20 C42A 87.4(15) . . ? S12 C20 C42A 81.8(11) . . ? C25 C20 C42A 95.7(11) . . ? C17 C20 C42A 91.5(10) . . ? S13 C20 C42A 99.7(8) . . ? S15A C20 C42A 100.8(8) . . ? C21 C20 C44 81.5(17) . . ? C23A C20 C44 84.0(15) . . ? S12 C20 C44 104.8(12) . . ? C25 C20 C44 77.0(11) . . ? C17 C20 C44 99.1(10) . . ? S13 C20 C44 89.9(8) . . ? S15A C20 C44 74.6(8) . . ? C42A C20 C44 26.2(5) . . ? C21 C20 C34 81.0(17) . 2_566 ? C23A C20 C34 81.0(15) . 2_566 ? S12 C20 C34 105.4(13) . 2_566 ? C25 C20 C34 74.9(11) . 2_566 ? C17 C20 C34 100.0(11) . 2_566 ? S13 C20 C34 90.2(9) . 2_566 ? S15A C20 C34 76.7(8) . 2_566 ? C42A C20 C34 168.4(9) . 2_566 ? C44 C20 C34 149.6(9) . 2_566 ? C21 C20 S20B 102.4(18) . 2_566 ? C23A C20 S20B 83.6(14) . 2_566 ? S12 C20 S20B 83.9(10) . 2_566 ? C25 C20 S20B 92.3(10) . 2_566 ? C17 C20 S20B 93.4(10) . 2_566 ? S13 C20 S20B 100.1(9) . 2_566 ? S15A C20 S20B 101.5(8) . 2_566 ? C42A C20 S20B 153.9(8) . 2_566 ? C44 C20 S20B 167.6(8) . 2_566 ? C34 C20 S20B 24.9(5) 2_566 2_566 ? C21 C20 C32A 102.4(18) . 2_566 ? C23A C20 C32A 83.6(14) . 2_566 ? S12 C20 C32A 83.9(10) . 2_566 ? C25 C20 C32A 92.3(10) . 2_566 ? C17 C20 C32A 93.4(10) . 2_566 ? S13 C20 C32A 100.1(9) . 2_566 ? S15A C20 C32A 101.5(8) . 2_566 ? C42A C20 C32A 153.9(8) . 2_566 ? C44 C20 C32A 167.6(8) . 2_566 ? C34 C20 C32A 24.9(5) 2_566 2_566 ? S20B C20 C32A 0.0(8) 2_566 2_566 ? C21 C20 C16 80.9(14) . . ? C23A C20 C16 164.4(16) . . ? S12 C20 C16 38.0(7) . . ? C25 C20 C16 157.3(12) . . ? C17 C20 C16 6.1(7) . . ? S13 C20 C16 45.0(5) . . ? S15A C20 C16 116.5(9) . . ? C42A C20 C16 90.0(7) . . ? C44 C20 C16 100.2(8) . . ? C34 C20 C16 101.2(9) 2_566 . ? S20B C20 C16 92.1(7) 2_566 . ? C32A C20 C16 92.1(7) 2_566 . ? C20 C21 S13 117.0(18) . . ? C20 C21 S15A 117.6(18) . . ? S13 C21 S15A 125.3(15) . . ? C20 C21 C23A 35.6(13) . . ? S13 C21 C23A 152.6(14) . . ? S15A C21 C23A 82.0(10) . . ? C20 C21 C17 74.5(15) . . ? S13 C21 C17 42.5(8) . . ? S15A C21 C17 167.7(14) . . ? C23A C21 C17 110.1(12) . . ? C20 C21 C25 72.7(15) . . ? S13 C21 C25 170.3(15) . . ? S15A C21 C25 45.0(8) . . ? C23A C21 C25 37.1(8) . . ? C17 C21 C25 147.2(13) . . ? C20 C21 S12 34.4(12) . . ? S13 C21 S12 82.6(9) . . ? S15A C21 S12 151.9(13) . . ? C23A C21 S12 70.0(8) . . ? C17 C21 S12 40.1(6) . . ? C25 C21 S12 107.1(11) . . ? C20 C21 S26A 101.4(18) . . ? S13 C21 S26A 83.7(9) . . ? S15A C21 S26A 83.5(10) . . ? C23A C21 S26A 100.6(10) . . ? C17 C21 S26A 91.9(9) . . ? C25 C21 S26A 94.9(10) . . ? S12 C21 S26A 98.8(8) . . ? C20 C21 C32B 101.4(18) . 2_566 ? S13 C21 C32B 84.6(10) . 2_566 ? S15A C21 C32B 87.4(10) . 2_566 ? C23A C21 C32B 98.7(10) . 2_566 ? C17 C21 C32B 92.7(10) . 2_566 ? C25 C21 C32B 93.3(10) . 2_566 ? S12 C21 C32B 99.0(8) . 2_566 ? S26A C21 C32B 157.2(8) . 2_566 ? C20 C21 S20A 101.4(18) . 2_566 ? S13 C21 S20A 84.6(10) . 2_566 ? S15A C21 S20A 87.4(10) . 2_566 ? C23A C21 S20A 98.7(10) . 2_566 ? C17 C21 S20A 92.7(10) . 2_566 ? C25 C21 S20A 93.3(10) . 2_566 ? S12 C21 S20A 99.0(8) . 2_566 ? S26A C21 S20A 157.2(8) . 2_566 ? C32B C21 S20A 0.0(7) 2_566 2_566 ? C20 C21 C34 78.5(17) . 2_566 ? S13 C21 C34 106.7(12) . 2_566 ? S15A C21 C34 86.4(11) . 2_566 ? C23A C21 C34 72.4(10) . 2_566 ? C17 C21 C34 99.1(11) . 2_566 ? C25 C21 C34 73.9(10) . 2_566 ? S12 C21 C34 87.5(8) . 2_566 ? S26A C21 C34 168.5(8) . 2_566 ? C32B C21 C34 26.4(5) 2_566 2_566 ? S20A C21 C34 26.4(5) 2_566 2_566 ? C20 C21 C44 77.9(17) . . ? S13 C21 C44 105.9(11) . . ? S15A C21 C44 83.1(11) . . ? C23A C21 C44 74.0(10) . . ? C17 C21 C44 97.9(11) . . ? C25 C21 C44 75.7(10) . . ? S12 C21 C44 86.8(8) . . ? S26A C21 C44 26.8(5) . . ? C32B C21 C44 168.7(8) 2_566 . ? S20A C21 C44 168.7(8) 2_566 . ? C34 C21 C44 145.8(9) 2_566 . ? C20 C21 C16 79.1(14) . . ? S13 C21 C16 37.9(7) . . ? S15A C21 C16 163.1(12) . . ? C23A C21 C16 114.7(10) . . ? C17 C21 C16 4.6(7) . . ? C25 C21 C16 151.8(11) . . ? S12 C21 C16 44.7(5) . . ? S26A C21 C16 91.0(7) . . ? C32B C21 C16 91.8(7) 2_566 . ? S20A C21 C16 91.8(7) 2_566 . ? C34 C21 C16 100.3(8) 2_566 . ? C44 C21 C16 99.1(8) . . ? C22A C24 S14A 119(2) . . ? C22A C24 C18 74.1(15) . . ? S14A C24 C18 44.8(9) . . ? C22A C24 C19 42.3(12) . . ? S14A C24 C19 76.6(13) . . ? C18 C24 C19 31.8(9) . . ? C22A C24 O1 87.7(14) . 2 ? S14A C24 O1 143.3(16) . 2 ? C18 C24 O1 151.7(15) . 2 ? C19 C24 O1 127.1(13) . 2 ? C22A C24 O4 74.2(15) . 2 ? S14A C24 O4 160.7(17) . 2 ? C18 C24 O4 142.2(14) . 2 ? C19 C24 O4 113.2(13) . 2 ? O1 C24 O4 44.1(7) 2 2 ? C22A C24 C31 79.4(16) . 2_566 ? S14A C24 C31 97.0(14) . 2_566 ? C18 C24 C31 84.5(12) . 2_566 ? C19 C24 C31 78.9(12) . 2_566 ? O1 C24 C31 113.7(10) 2 2_566 ? O4 C24 C31 70.0(9) 2 2_566 ? C22A C24 C30 96.1(17) . 2_566 ? S14A C24 C30 79.0(12) . 2_566 ? C18 C24 C30 78.1(11) . 2_566 ? C19 C24 C30 83.7(12) . 2_566 ? O1 C24 C30 126.2(11) 2 2_566 ? O4 C24 C30 85.5(9) 2 2_566 ? C31 C24 C30 20.3(6) 2_566 2_566 ? C22A C24 C49 151.7(18) . 2_565 ? S14A C24 C49 85.6(13) . 2_565 ? C18 C24 C49 129.9(14) . 2_565 ? C19 C24 C49 159.5(16) . 2_565 ? O1 C24 C49 64.3(9) 2 2_565 ? O4 C24 C49 86.8(10) 2 2_565 ? C31 C24 C49 113.9(12) 2_566 2_565 ? C30 C24 C49 103.2(11) 2_566 2_565 ? C22A C24 C41 72.8(16) . . ? S14A C24 C41 88.7(14) . . ? C18 C24 C41 79.5(12) . . ? C19 C24 C41 74.6(12) . . ? O1 C24 C41 74.4(8) 2 . ? O4 C24 C41 109.7(9) 2 . ? C31 C24 C41 150.8(11) 2_566 . ? C30 C24 C41 157.0(10) 2_566 . ? C49 C24 C41 95.0(11) 2_565 . ? C22A C24 C40 90.5(17) . . ? S14A C24 C40 70.6(13) . . ? C18 C24 C40 73.9(11) . . ? C19 C24 C40 80.4(12) . . ? O1 C24 C40 85.1(9) 2 . ? O4 C24 C40 126.1(10) 2 . ? C31 C24 C40 158.0(11) 2_566 . ? C30 C24 C40 148.2(10) 2_566 . ? C49 C24 C40 84.0(11) 2_565 . ? C41 C24 C40 20.5(6) . . ? C22A C24 C33A 82.7(16) . 2_566 ? S14A C24 C33A 115.4(15) . 2_566 ? C18 C24 C33A 106.9(13) . 2_566 ? C19 C24 C33A 96.4(13) . 2_566 ? O1 C24 C33A 91.6(9) 2 2_566 ? O4 C24 C33A 48.9(7) 2 2_566 ? C31 C24 C33A 22.7(5) 2_566 2_566 ? C30 C24 C33A 36.7(6) 2_566 2_566 ? C49 C24 C33A 100.5(11) 2_565 2_566 ? C41 C24 C33A 152.0(10) . 2_566 ? C40 C24 C33A 172.5(10) . 2_566 ? C22A C24 S21B 82.7(16) . 2_566 ? S14A C24 S21B 115.4(15) . 2_566 ? C18 C24 S21B 106.9(13) . 2_566 ? C19 C24 S21B 96.4(13) . 2_566 ? O1 C24 S21B 91.6(9) 2 2_566 ? O4 C24 S21B 48.9(7) 2 2_566 ? C31 C24 S21B 22.7(5) 2_566 2_566 ? C30 C24 S21B 36.7(6) 2_566 2_566 ? C49 C24 S21B 100.5(11) 2_565 2_566 ? C41 C24 S21B 152.0(10) . 2_566 ? C40 C24 S21B 172.5(10) . 2_566 ? C33A C24 S21B 0.0(13) 2_566 2_566 ? C22A C24 H24A 107.7 . . ? S14A C24 H24A 107.6 . . ? C18 C24 H24A 120.3 . . ? C19 C24 H24A 119.9 . . ? O1 C24 H24A 85.5 2 . ? O4 C24 H24A 53.2 2 . ? C31 C24 H24A 41.0 2_566 . ? C30 C24 H24A 42.3 2_566 . ? C49 C24 H24A 75.1 2_565 . ? C41 C24 H24A 159.9 . . ? C40 C24 H24A 159.2 . . ? C33A C24 H24A 26.0 2_566 . ? S21B C24 H24A 26.0 2_566 . ? C22A C24 H24B 107.7 . . ? S14A C24 H24B 107.7 . . ? C18 C24 H24B 129.9 . . ? C19 C24 H24B 129.3 . . ? O1 C24 H24B 36.2 2 . ? O4 C24 H24B 79.5 2 . ? C31 C24 H24B 145.6 2_566 . ? C30 C24 H24B 147.0 2_566 . ? C49 C24 H24B 47.1 2_565 . ? C41 C24 H24B 55.4 . . ? C40 C24 H24B 56.2 . . ? C33A C24 H24B 123.1 2_566 . ? S21B C24 H24B 123.1 2_566 . ? H24A C24 H24B 107.1 . . ? C23A C25 S15A 111.6(17) . . ? C23A C25 C20 37.8(11) . . ? S15A C25 C20 73.8(11) . . ? C23A C25 C21 68.7(13) . . ? S15A C25 C21 43.0(8) . . ? C20 C25 C21 30.9(8) . . ? C23A C25 O6 145(2) . 1_556 ? S15A C25 O6 78.1(11) . 1_556 ? C20 C25 O6 135.8(13) . 1_556 ? C21 C25 O6 114.3(12) . 1_556 ? C23A C25 C25 91.8(15) . 2_567 ? S15A C25 C25 154.2(17) . 2_567 ? C20 C25 C25 129.1(15) . 2_567 ? C21 C25 C25 158.8(16) . 2_567 ? O6 C25 C25 76.5(10) 1_556 2_567 ? C23A C25 O 128.4(17) . 2_566 ? S15A C25 O 104.0(12) . 2_566 ? C20 C25 O 142.2(14) . 2_566 ? C21 C25 O 132.4(13) . 2_566 ? O6 C25 O 77.4(9) 1_556 2_566 ? C25 C25 O 66.2(9) 2_567 2_566 ? C23A C25 O8 74.5(14) . 2_566 ? S15A C25 O8 126.6(15) . 2_566 ? C20 C25 O8 95.9(11) . 2_566 ? C21 C25 O8 111.8(12) . 2_566 ? O6 C25 O8 128.3(11) 1_556 2_566 ? C25 C25 O8 68.5(10) 2_567 2_566 ? O C25 O8 54.2(8) 2_566 2_566 ? C23A C25 H25A 109.3 . . ? S15A C25 H25A 109.3 . . ? C20 C25 H25A 123.1 . . ? C21 C25 H25A 122.9 . . ? O6 C25 H25A 98.1 1_556 . ? C25 C25 H25A 70.4 2_567 . ? O C25 H25A 20.7 2_566 . ? O8 C25 H25A 34.9 2_566 . ? C23A C25 H25B 109.3 . . ? S15A C25 H25B 109.3 . . ? C20 C25 H25B 124.9 . . ? C21 C25 H25B 127.0 . . ? O6 C25 H25B 38.8 1_556 . ? C25 C25 H25B 50.2 2_567 . ? O C25 H25B 91.9 2_566 . ? O8 C25 H25B 118.4 2_566 . ? H25A C25 H25B 108.0 . . ? C28 S16 C26 95.0(13) . . ? C28 S16 C29 28.0(11) . . ? C26 S16 C29 67.1(11) . . ? C28 S16 C27 119.8(11) . . ? C26 S16 C27 24.7(10) . . ? C29 S16 C27 91.8(9) . . ? C28 S16 S17 63.2(9) . . ? C26 S16 S17 31.9(9) . . ? C29 S16 S17 35.2(7) . . ? C27 S16 S17 56.6(5) . . ? C28 S16 C32A 26.2(9) . . ? C26 S16 C32A 121.2(10) . . ? C29 S16 C32A 54.2(7) . . ? C27 S16 C32A 145.9(6) . . ? S17 S16 C32A 89.4(4) . . ? C28 S16 S18 153.0(10) . . ? C26 S16 S18 58.1(9) . . ? C29 S16 S18 125.1(7) . . ? C27 S16 S18 33.4(5) . . ? S17 S16 S18 90.0(3) . . ? C32A S16 S18 175.6(5) . . ? C28 S16 S18 140.1(10) . 2_666 ? C26 S16 S18 118.1(10) . 2_666 ? C29 S16 S18 160.1(8) . 2_666 ? C27 S16 S18 95.1(6) . 2_666 ? S17 S16 S18 147.5(4) . 2_666 ? C32A S16 S18 115.9(4) . 2_666 ? S18 S16 S18 63.1(3) . 2_666 ? C28 S16 C33B 90.9(9) . 2_666 ? C26 S16 C33B 159.7(11) . 2_666 ? C29 S16 C33B 117.7(7) . 2_666 ? C27 S16 C33B 144.2(6) . 2_666 ? S17 S16 C33B 149.5(3) . 2_666 ? C32A S16 C33B 65.6(3) . 2_666 ? S18 S16 C33B 113.6(3) . 2_666 ? S18 S16 C33B 50.4(2) 2_666 2_666 ? C28 S16 S21A 90.9(9) . 2_666 ? C26 S16 S21A 159.7(11) . 2_666 ? C29 S16 S21A 117.7(7) . 2_666 ? C27 S16 S21A 144.2(6) . 2_666 ? S17 S16 S21A 149.5(3) . 2_666 ? C32A S16 S21A 65.6(3) . 2_666 ? S18 S16 S21A 113.6(3) . 2_666 ? S18 S16 S21A 50.4(2) 2_666 2_666 ? C33B S16 S21A 0.0(5) 2_666 2_666 ? C28 S16 C38 82.3(12) . 2_666 ? C26 S16 C38 76.3(11) . 2_666 ? C29 S16 C38 77.9(8) . 2_666 ? C27 S16 C38 81.4(7) . 2_666 ? S17 S16 C38 76.0(5) . 2_666 ? C32A S16 C38 87.4(5) . 2_666 ? S18 S16 C38 88.3(5) . 2_666 ? S18 S16 C38 84.7(5) 2_666 2_666 ? C33B S16 C38 85.3(4) 2_666 2_666 ? S21A S16 C38 85.3(4) 2_666 2_666 ? C28 S16 S12 70.1(11) . 2_566 ? C26 S16 S12 105.0(11) . 2_566 ? C29 S16 S12 77.4(8) . 2_566 ? C27 S16 S12 111.6(6) . 2_566 ? S17 S16 S12 90.7(3) . 2_566 ? C32A S16 S12 68.1(4) . 2_566 ? S18 S16 S12 116.3(3) . 2_566 ? S18 S16 S12 116.8(3) 2_666 2_566 ? C33B S16 S12 95.3(3) 2_666 2_566 ? S21A S16 S12 95.3(3) 2_666 2_566 ? C38 S16 S12 152.3(5) 2_666 2_566 ? C29 S17 C26 94.9(14) . . ? C29 S17 C28 27.8(12) . . ? C26 S17 C28 67.2(11) . . ? C29 S17 C27 119.6(12) . . ? C26 S17 C27 24.7(10) . . ? C28 S17 C27 91.9(8) . . ? C29 S17 S16 62.9(11) . . ? C26 S17 S16 32.1(9) . . ? C28 S17 S16 35.2(6) . . ? C27 S17 S16 56.7(5) . . ? C29 S17 S20A 26.7(11) . . ? C26 S17 S20A 121.5(10) . . ? C28 S17 S20A 54.4(6) . . ? C27 S17 S20A 146.2(6) . . ? S16 S17 S20A 89.6(4) . . ? C29 S17 S19 153.2(11) . . ? C26 S17 S19 58.4(9) . . ? C28 S17 S19 125.5(7) . . ? C27 S17 S19 33.7(5) . . ? S16 S17 S19 90.4(3) . . ? S20A S17 S19 175.5(5) . . ? C29 S17 S6 141.0(11) . 1_565 ? C26 S17 S6 118.8(9) . 1_565 ? C28 S17 S6 159.8(8) . 1_565 ? C27 S17 S6 95.3(5) . 1_565 ? S16 S17 S6 146.2(4) . 1_565 ? S20A S17 S6 117.4(4) . 1_565 ? S19 S17 S6 64.3(2) . 1_565 ? C29 S17 C39 84.1(12) . 2_666 ? C26 S17 C39 79.2(11) . 2_666 ? C28 S17 C39 80.4(8) . 2_666 ? C27 S17 C39 83.2(7) . 2_666 ? S16 S17 C39 79.4(5) . 2_666 ? S20A S17 C39 87.8(5) . 2_666 ? S19 S17 C39 87.9(5) . 2_666 ? S6 S17 C39 119.1(5) 1_565 2_666 ? C29 S17 S4 91.1(11) . 1_565 ? C26 S17 S4 161.2(11) . 1_565 ? C28 S17 S4 117.1(7) . 1_565 ? C27 S17 S4 144.8(6) . 1_565 ? S16 S17 S4 147.5(4) . 1_565 ? S20A S17 S4 66.6(3) . 1_565 ? S19 S17 S4 115.0(3) . 1_565 ? S6 S17 S4 50.8(2) 1_565 1_565 ? C39 S17 S4 119.3(5) 2_666 1_565 ? C30 S18 C27 94.3(12) . . ? C30 S18 C31 25.3(10) . . ? C27 S18 C31 69.0(10) . . ? C30 S18 C26 117.7(11) . . ? C27 S18 C26 23.4(9) . . ? C31 S18 C26 92.4(8) . . ? C30 S18 S19 60.8(9) . . ? C27 S18 S19 33.6(8) . . ? C31 S18 S19 35.5(6) . . ? C26 S18 S19 56.9(6) . . ? C30 S18 S21A 28.2(8) . . ? C27 S18 S21A 122.5(8) . . ? C31 S18 S21A 53.5(6) . . ? C26 S18 S21A 145.9(7) . . ? S19 S18 S21A 89.0(3) . . ? C30 S18 S16 150.1(9) . . ? C27 S18 S16 55.8(8) . . ? C31 S18 S16 124.9(7) . . ? C26 S18 S16 32.5(6) . . ? S19 S18 S16 89.4(3) . . ? S21A S18 S16 177.7(4) . . ? C30 S18 S18 144.4(10) . 2_666 ? C27 S18 S18 116.7(8) . 2_666 ? C31 S18 S18 162.4(8) . 2_666 ? C26 S18 S18 94.0(6) . 2_666 ? S19 S18 S18 146.8(4) . 2_666 ? S21A S18 S18 118.9(4) . 2_666 ? S16 S18 S18 63.2(3) . 2_666 ? C30 S18 S16 91.7(9) . 2_666 ? C27 S18 S16 162.8(9) . 2_666 ? C31 S18 S16 115.9(7) . 2_666 ? C26 S18 S16 146.2(6) . 2_666 ? S19 S18 S16 147.7(4) . 2_666 ? S21A S18 S16 65.2(2) . 2_666 ? S16 S18 S16 116.9(3) . 2_666 ? S18 S18 S16 53.6(2) 2_666 2_666 ? C30 S18 C18 85.7(10) . 2_566 ? C27 S18 C18 78.1(10) . 2_566 ? C31 S18 C18 80.9(8) . 2_566 ? C26 S18 C18 82.3(7) . 2_566 ? S19 S18 C18 78.5(5) . 2_566 ? S21A S18 C18 90.4(4) . 2_566 ? S16 S18 C18 87.7(4) . 2_566 ? S18 S18 C18 116.2(5) 2_666 2_566 ? S16 S18 C18 118.5(5) 2_666 2_566 ? C31 S19 C27 96.2(13) . . ? C31 S19 C30 27.0(10) . . ? C27 S19 C30 69.3(10) . . ? C31 S19 C26 120.1(11) . . ? C27 S19 C26 24.0(9) . . ? C30 S19 C26 93.2(8) . . ? C31 S19 C33A 24.6(10) . . ? C27 S19 C33A 120.8(10) . . ? C30 S19 C33A 51.6(7) . . ? C26 S19 C33A 144.8(8) . . ? C31 S19 S18 62.6(9) . . ? C27 S19 S18 33.6(8) . . ? C30 S19 S18 35.7(6) . . ? C26 S19 S18 57.5(6) . . ? C33A S19 S18 87.3(5) . . ? C31 S19 S17 152.8(10) . . ? C27 S19 S17 56.6(8) . . ? C30 S19 S17 125.9(6) . . ? C26 S19 S17 32.7(6) . . ? C33A S19 S17 176.6(6) . . ? S18 S19 S17 90.2(3) . . ? C31 S19 S9B 91.1(10) . 1_565 ? C27 S19 S9B 154.4(10) . 1_565 ? C30 S19 S9B 116.1(6) . 1_565 ? C26 S19 S9B 141.4(7) . 1_565 ? C33A S19 S9B 68.4(5) . 1_565 ? S18 S19 S9B 146.1(4) . 1_565 ? S17 S19 S9B 113.0(4) . 1_565 ? C31 S19 C13A 91.1(10) . 1_565 ? C27 S19 C13A 154.4(10) . 1_565 ? C30 S19 C13A 116.1(6) . 1_565 ? C26 S19 C13A 141.4(7) . 1_565 ? C33A S19 C13A 68.4(5) . 1_565 ? S18 S19 C13A 146.1(4) . 1_565 ? S17 S19 C13A 113.0(4) . 1_565 ? S9B S19 C13A 0.0(10) 1_565 1_565 ? C31 S19 S6 138.5(10) . 1_565 ? C27 S19 S6 116.4(9) . 1_565 ? C30 S19 S6 156.6(7) . 1_565 ? C26 S19 S6 94.9(6) . 1_565 ? C33A S19 S6 117.0(5) . 1_565 ? S18 S19 S6 145.7(4) . 1_565 ? S17 S19 S6 64.4(2) . 1_565 ? S9B S19 S6 48.6(3) 1_565 1_565 ? C13A S19 S6 48.6(3) 1_565 1_565 ? C31 S19 C19 84.9(12) . 2_566 ? C27 S19 C19 75.6(10) . 2_566 ? C30 S19 C19 80.2(8) . 2_566 ? C26 S19 C19 80.3(8) . 2_566 ? C33A S19 C19 90.7(7) . 2_566 ? S18 S19 C19 76.1(5) . 2_566 ? S17 S19 C19 86.6(5) . 2_566 ? S9B S19 C19 80.7(5) 1_565 2_566 ? C13A S19 C19 80.7(5) 1_565 2_566 ? S6 S19 C19 79.6(5) 1_565 2_566 ? C31 S19 S25 70.3(11) . 2_666 ? C27 S19 S25 107.0(9) . 2_666 ? C30 S19 S25 77.9(7) . 2_666 ? C26 S19 S25 112.4(7) . 2_666 ? C33A S19 S25 66.4(5) . 2_666 ? S18 S19 S25 92.4(3) . 2_666 ? S17 S19 S25 115.9(3) . 2_666 ? S9B S19 S25 98.6(4) 1_565 2_666 ? C13A S19 S25 98.6(4) 1_565 2_666 ? S6 S19 S25 118.7(3) 1_565 2_666 ? C19 S19 S25 155.1(5) 2_566 2_666 ? C31 S19 C37 72.6(11) . 2_666 ? C27 S19 C37 81.1(10) . 2_666 ? C30 S19 C37 67.8(7) . 2_666 ? C26 S19 C37 88.7(7) . 2_666 ? C33A S19 C37 79.7(6) . 2_666 ? S18 S19 C37 70.4(5) . 2_666 ? S17 S19 C37 101.5(5) . 2_666 ? S9B S19 C37 124.4(5) 1_565 2_666 ? C13A S19 C37 124.4(5) 1_565 2_666 ? S6 S19 C37 134.3(5) 1_565 2_666 ? C19 S19 C37 145.4(6) 2_566 2_666 ? S25 S19 C37 25.9(4) 2_666 2_666 ? C31 S19 C36 91.4(11) . 2_666 ? C27 S19 C36 68.9(10) . 2_666 ? C30 S19 C36 80.4(7) . 2_666 ? C26 S19 C36 70.4(8) . 2_666 ? C33A S19 C36 100.8(7) . 2_666 ? S18 S19 C36 70.1(5) . 2_666 ? S17 S19 C36 80.4(5) . 2_666 ? S9B S19 C36 135.6(6) 1_565 2_666 ? C13A S19 C36 135.6(6) 1_565 2_666 ? S6 S19 C36 123.1(5) 1_565 2_666 ? C19 S19 C36 143.6(6) 2_566 2_666 ? S25 S19 C36 42.0(4) 2_666 2_666 ? C37 S19 C36 21.1(5) 2_666 2_666 ? C27 C26 S17 122(2) . . ? C27 C26 S16 122(2) . . ? S17 C26 S16 116.0(15) . . ? C27 C26 C28 164(2) . . ? S17 C26 C28 74.0(11) . . ? S16 C26 C28 42.1(9) . . ? C27 C26 C29 164(2) . . ? S17 C26 C29 42.3(9) . . ? S16 C26 C29 73.8(12) . . ? C28 C26 C29 31.8(9) . . ? C27 C26 S19 33.2(12) . . ? S17 C26 S19 89.0(11) . . ? S16 C26 S19 155.0(14) . . ? C28 C26 S19 162.9(13) . . ? C29 C26 S19 131.2(13) . . ? C27 C26 S18 32.4(12) . . ? S17 C26 S18 154.5(14) . . ? S16 C26 S18 89.5(11) . . ? C28 C26 S18 131.5(12) . . ? C29 C26 S18 163.3(14) . . ? S19 C26 S18 65.6(6) . . ? C27 C26 C16 93.0(19) . 2_566 ? S17 C26 C16 87.2(11) . 2_566 ? S16 C26 C16 85.5(12) . 2_566 ? C28 C26 C16 86.1(11) . 2_566 ? C29 C26 C16 86.4(11) . 2_566 ? S19 C26 C16 94.9(8) . 2_566 ? S18 C26 C16 93.3(9) . 2_566 ? C27 C26 C38 105(2) . 2_666 ? S17 C26 C38 91.6(12) . 2_666 ? S16 C26 C38 77.1(11) . 2_666 ? C28 C26 C38 74.3(10) . 2_666 ? C29 C26 C38 79.3(11) . 2_666 ? S19 C26 C38 105.1(10) . 2_666 ? S18 C26 C38 96.3(9) . 2_666 ? C16 C26 C38 159.9(9) 2_566 2_666 ? C27 C26 C39 104(2) . 2_666 ? S17 C26 C39 74.1(11) . 2_666 ? S16 C26 C39 94.6(12) . 2_666 ? C28 C26 C39 80.2(10) . 2_666 ? C29 C26 C39 73.7(11) . 2_666 ? S19 C26 C39 93.7(9) . 2_666 ? S18 C26 C39 107.4(10) . 2_666 ? C16 C26 C39 159.2(9) 2_566 2_666 ? C38 C26 C39 20.5(5) 2_666 2_666 ? C27 C26 C30 9.1(13) . . ? S17 C26 C30 131.1(13) . . ? S16 C26 C30 112.9(12) . . ? C28 C26 C30 154.9(12) . . ? C29 C26 C30 173.3(13) . . ? S19 C26 C30 42.1(5) . . ? S18 C26 C30 23.4(5) . . ? C16 C26 C30 94.4(8) 2_566 . ? C38 C26 C30 101.4(9) 2_666 . ? C39 C26 C30 104.6(9) 2_666 . ? C26 C27 S19 122.8(19) . . ? C26 C27 S18 124.2(19) . . ? S19 C27 S18 112.8(13) . . ? C26 C27 C30 166(2) . . ? S19 C27 C30 70.6(10) . . ? S18 C27 C30 42.2(8) . . ? C26 C27 C31 164(2) . . ? S19 C27 C31 41.3(8) . . ? S18 C27 C31 71.5(10) . . ? C30 C27 C31 29.3(8) . . ? C26 C27 S17 33.2(13) . . ? S19 C27 S17 89.7(10) . . ? S18 C27 S17 157.4(12) . . ? C30 C27 S17 160.3(12) . . ? C31 C27 S17 131.0(11) . . ? C26 C27 S16 33.5(13) . . ? S19 C27 S16 156.2(13) . . ? S18 C27 S16 90.8(9) . . ? C30 C27 S16 133.1(11) . . ? C31 C27 S16 162.4(12) . . ? S17 C27 S16 66.6(6) . . ? C26 C27 C36 92.6(19) . 2_666 ? S19 C27 C36 83.9(11) . 2_666 ? S18 C27 C36 88.3(11) . 2_666 ? C30 C27 C36 85.5(10) . 2_666 ? C31 C27 C36 84.9(10) . 2_666 ? S17 C27 C36 92.3(8) . 2_666 ? S16 C27 C36 94.7(8) . 2_666 ? C26 C27 C19 104(2) . 2_566 ? S19 C27 C19 77.3(10) . 2_566 ? S18 C27 C19 91.8(11) . 2_566 ? C30 C27 C19 81.0(9) . 2_566 ? C31 C27 C19 75.9(10) . 2_566 ? S17 C27 C19 95.3(8) . 2_566 ? S16 C27 C19 105.6(9) . 2_566 ? C36 C27 C19 159.7(9) 2_666 2_566 ? C26 C27 C18 105.2(19) . 2_566 ? S19 C27 C18 93.4(10) . 2_566 ? S18 C27 C18 74.5(10) . 2_566 ? C30 C27 C18 75.1(9) . 2_566 ? C31 C27 C18 80.3(10) . 2_566 ? S17 C27 C18 107.4(9) . 2_566 ? S16 C27 C18 95.4(8) . 2_566 ? C36 C27 C18 160.2(9) 2_666 2_566 ? C19 C27 C18 20.0(5) 2_566 2_566 ? C26 C27 C28 10.6(14) . . ? S19 C27 C28 133.4(12) . . ? S18 C27 C28 113.6(10) . . ? C30 C27 C28 155.8(11) . . ? C31 C27 C28 174.6(12) . . ? S17 C27 C28 43.8(6) . . ? S16 C27 C28 22.8(5) . . ? C36 C27 C28 93.4(8) 2_666 . ? C19 C27 C28 105.1(9) 2_566 . ? C18 C27 C28 102.5(8) 2_566 . ? C26 C27 C29 10.3(14) . . ? S19 C27 C29 112.5(11) . . ? S18 C27 C29 134.5(11) . . ? C30 C27 C29 176.3(11) . . ? C31 C27 C29 153.8(12) . . ? S17 C27 C29 22.9(5) . . ? S16 C27 C29 43.7(6) . . ? C36 C27 C29 92.8(9) 2_666 . ? C19 C27 C29 101.5(9) 2_566 . ? C18 C27 C29 106.3(9) 2_566 . ? C28 C27 C29 20.9(6) . . ? C29 C28 C32A 117(2) . . ? C29 C28 S16 117(2) . . ? C32A C28 S16 126.8(17) . . ? C29 C28 C34 74.9(18) . . ? C32A C28 C34 41.7(10) . . ? S16 C28 C34 168.4(17) . . ? C29 C28 C26 73.8(18) . . ? C32A C28 C26 169.1(17) . . ? S16 C28 C26 42.9(9) . . ? C34 C28 C26 148.7(15) . . ? C29 C28 S20A 35.1(14) . . ? C32A C28 S20A 81.4(11) . . ? S16 C28 S20A 151.8(15) . . ? C34 C28 S20A 39.8(8) . . ? C26 C28 S20A 108.9(12) . . ? C29 C28 S17 35.0(14) . . ? C32A C28 S17 151.5(16) . . ? S16 C28 S17 81.6(10) . . ? C34 C28 S17 110.0(12) . . ? C26 C28 S17 38.8(7) . . ? S20A C28 S17 70.1(7) . . ? C29 C28 S12 102(2) . 2_566 ? C32A C28 S12 86.1(13) . 2_566 ? S16 C28 S12 84.0(11) . 2_566 ? C34 C28 S12 92.9(13) . 2_566 ? C26 C28 S12 95.1(11) . 2_566 ? S20A C28 S12 101.3(9) . 2_566 ? S17 C28 S12 100.3(8) . 2_566 ? C29 C28 S26B 101(2) . 2_666 ? C32A C28 S26B 83.7(12) . 2_666 ? S16 C28 S26B 85.6(11) . 2_666 ? C34 C28 S26B 93.2(12) . 2_666 ? C26 C28 S26B 91.2(11) . 2_666 ? S20A C28 S26B 97.6(9) . 2_666 ? S17 C28 S26B 98.5(9) . 2_666 ? S12 C28 S26B 156.9(9) 2_566 2_666 ? C29 C28 C42A 101(2) . 2_666 ? C32A C28 C42A 83.7(12) . 2_666 ? S16 C28 C42A 85.6(11) . 2_666 ? C34 C28 C42A 93.2(12) . 2_666 ? C26 C28 C42A 91.2(11) . 2_666 ? S20A C28 C42A 97.6(9) . 2_666 ? S17 C28 C42A 98.5(9) . 2_666 ? S12 C28 C42A 156.9(9) 2_566 2_666 ? S26B C28 C42A 0.0(9) 2_666 2_666 ? C29 C28 C17 79.3(19) . 2_566 ? C32A C28 C17 109.4(14) . 2_566 ? S16 C28 C17 81.6(11) . 2_566 ? C34 C28 C17 100.7(13) . 2_566 ? C26 C28 C17 74.9(10) . 2_566 ? S20A C28 C17 90.6(9) . 2_566 ? S17 C28 C17 73.1(7) . 2_566 ? S12 C28 C17 27.2(4) 2_566 2_566 ? S26B C28 C17 165.6(9) 2_666 2_566 ? C42A C28 C17 165.6(9) 2_666 2_566 ? C29 C28 C27 79.3(17) . . ? C32A C28 C27 163.9(15) . . ? S16 C28 C27 37.4(8) . . ? C34 C28 C27 154.2(13) . . ? C26 C28 C27 5.5(7) . . ? S20A C28 C27 114.4(9) . . ? S17 C28 C27 44.3(6) . . ? S12 C28 C27 93.7(8) 2_566 . ? S26B C28 C27 90.5(8) 2_666 . ? C42A C28 C27 90.5(8) 2_666 . ? C17 C28 C27 75.3(7) 2_566 . ? C29 C28 C44 79.3(19) . 2_666 ? C32A C28 C44 80.9(12) . 2_666 ? S16 C28 C44 107.7(13) . 2_666 ? C34 C28 C44 74.2(12) . 2_666 ? C26 C28 C44 98.5(12) . 2_666 ? S20A C28 C44 72.0(8) . 2_666 ? S17 C28 C44 88.9(9) . 2_666 ? S12 C28 C44 166.2(9) 2_566 2_666 ? S26B C28 C44 25.6(5) 2_666 2_666 ? C42A C28 C44 25.6(5) 2_666 2_666 ? C17 C28 C44 158.6(10) 2_566 2_666 ? C27 C28 C44 100.1(9) . 2_666 ? C28 C29 S20A 117(2) . . ? C28 C29 S17 117(2) . . ? S20A C29 S17 126(2) . . ? C28 C29 C34 72.0(18) . . ? S20A C29 C34 44.6(11) . . ? S17 C29 C34 171(2) . . ? C28 C29 C26 74.4(18) . . ? S20A C29 C26 168(2) . . ? S17 C29 C26 42.8(9) . . ? C34 C29 C26 146.4(17) . . ? C28 C29 C32A 35.0(14) . . ? S20A C29 C32A 81.6(12) . . ? S17 C29 C32A 152.1(17) . . ? C34 C29 C32A 37.1(9) . . ? C26 C29 C32A 109.3(13) . . ? C28 C29 S16 35.3(14) . . ? S20A C29 S16 151.9(17) . . ? S17 C29 S16 81.9(12) . . ? C34 C29 S16 107.3(14) . . ? C26 C29 S16 39.1(8) . . ? C32A C29 S16 70.3(9) . . ? C28 C29 C42B 103(2) . 2_666 ? S20A C29 C42B 80.8(13) . 2_666 ? S17 C29 C42B 85.1(13) . 2_666 ? C34 C29 C42B 92.9(13) . 2_666 ? C26 C29 C42B 93.5(12) . 2_666 ? C32A C29 C42B 99.0(10) . 2_666 ? S16 C29 C42B 102.2(10) . 2_666 ? C28 C29 S26A 103(2) . 2_666 ? S20A C29 S26A 80.8(13) . 2_666 ? S17 C29 S26A 85.1(13) . 2_666 ? C34 C29 S26A 92.9(13) . 2_666 ? C26 C29 S26A 93.5(12) . 2_666 ? C32A C29 S26A 99.0(10) . 2_666 ? S16 C29 S26A 102.2(10) . 2_666 ? C42B C29 S26A 0.0(7) 2_666 2_666 ? C28 C29 S13 102(2) . 2_566 ? S20A C29 S13 86.8(13) . 2_566 ? S17 C29 S13 84.6(12) . 2_566 ? C34 C29 S13 93.6(13) . 2_566 ? C26 C29 S13 94.5(11) . 2_566 ? C32A C29 S13 100.9(11) . 2_566 ? S16 C29 S13 99.1(10) . 2_566 ? C42B C29 S13 154.7(10) 2_666 2_566 ? S26A C29 S13 154.7(10) 2_666 2_566 ? C28 C29 C17 79.6(19) . 2_566 ? S20A C29 C17 109.5(15) . 2_566 ? S17 C29 C17 82.3(12) . 2_566 ? C34 C29 C17 100.1(14) . 2_566 ? C26 C29 C17 75.0(11) . 2_566 ? C32A C29 C17 90.7(11) . 2_566 ? S16 C29 C17 72.8(9) . 2_566 ? C42B C29 C17 167.0(10) 2_666 2_566 ? S26A C29 C17 167.0(10) 2_666 2_566 ? S13 C29 C17 26.4(4) 2_566 2_566 ? C28 C29 C44 79.9(19) . 2_666 ? S20A C29 C44 80.5(13) . 2_666 ? S17 C29 C44 106.7(15) . 2_666 ? C34 C29 C44 74.0(12) . 2_666 ? C26 C29 C44 98.8(12) . 2_666 ? C32A C29 C44 72.7(9) . 2_666 ? S16 C29 C44 90.0(9) . 2_666 ? C42B C29 C44 26.6(5) 2_666 2_666 ? S26A C29 C44 26.6(5) 2_666 2_666 ? S13 C29 C44 166.5(10) 2_566 2_666 ? C17 C29 C44 159.5(11) 2_566 2_666 ? C28 C29 C27 79.7(17) . . ? S20A C29 C27 163.4(16) . . ? S17 C29 C27 37.5(8) . . ? C34 C29 C27 151.7(14) . . ? C26 C29 C27 5.3(7) . . ? C32A C29 C27 114.6(11) . . ? S16 C29 C27 44.4(6) . . ? C42B C29 C27 92.6(8) 2_666 . ? S26A C29 C27 92.6(8) 2_666 . ? S13 C29 C27 93.2(8) 2_566 . ? C17 C29 C27 75.4(8) 2_566 . ? C44 C29 C27 100.3(9) 2_666 . ? C31 C30 S18 120(2) . . ? C31 C30 S21A 116(2) . . ? S18 C30 S21A 123.6(15) . . ? C31 C30 C33A 34.0(14) . . ? S18 C30 C33A 154.4(15) . . ? S21A C30 C33A 82.0(11) . . ? C31 C30 C35 70.1(17) . . ? S18 C30 C35 169.4(16) . . ? S21A C30 C35 45.8(8) . . ? C33A C30 C35 36.2(8) . . ? C31 C30 C27 76.9(17) . . ? S18 C30 C27 43.5(8) . . ? S21A C30 C27 166.8(15) . . ? C33A C30 C27 110.9(12) . . ? C35 C30 C27 147.0(13) . . ? C31 C30 S19 36.8(14) . . ? S18 C30 S19 83.6(10) . . ? S21A C30 S19 152.8(13) . . ? C33A C30 S19 70.8(8) . . ? C35 C30 S19 107.0(11) . . ? C27 C30 S19 40.1(7) . . ? C31 C30 S24 102(2) . 2_666 ? S18 C30 S24 85.6(10) . 2_666 ? S21A C30 S24 85.7(10) . 2_666 ? C33A C30 S24 99.4(11) . 2_666 ? C35 C30 S24 93.6(11) . 2_666 ? C27 C30 S24 94.6(9) . 2_666 ? S19 C30 S24 99.2(8) . 2_666 ? C31 C30 C24 79.4(19) . 2_566 ? S18 C30 C24 103.4(13) . 2_566 ? S21A C30 C24 83.7(11) . 2_566 ? C33A C30 C24 75.3(10) . 2_566 ? C35 C30 C24 76.3(10) . 2_566 ? C27 C30 C24 96.5(11) . 2_566 ? S19 C30 C24 88.5(9) . 2_566 ? S24 C30 C24 168.8(9) 2_666 2_566 ? C31 C30 C37 78.7(19) . 2_666 ? S18 C30 C37 85.1(10) . 2_666 ? S21A C30 C37 108.8(13) . 2_666 ? C33A C30 C37 88.1(11) . 2_666 ? C35 C30 C37 99.0(12) . 2_666 ? C27 C30 C37 75.5(10) . 2_666 ? S19 C30 C37 72.0(8) . 2_666 ? S24 C30 C37 27.3(5) 2_666 2_666 ? C24 C30 C37 157.8(10) 2_566 2_666 ? C31 C30 C22B 103(2) . 2_566 ? S18 C30 C22B 80.9(10) . 2_566 ? S21A C30 C22B 84.2(10) . 2_566 ? C33A C30 C22B 101.9(10) . 2_566 ? C35 C30 C22B 95.8(10) . 2_566 ? C27 C30 C22B 90.1(10) . 2_566 ? S19 C30 C22B 100.2(8) . 2_566 ? S24 C30 C22B 154.9(8) 2_666 2_566 ? C24 C30 C22B 26.7(5) 2_566 2_566 ? C37 C30 C22B 164.8(8) 2_666 2_566 ? C31 C30 S14A 103(2) . 2_566 ? S18 C30 S14A 80.9(10) . 2_566 ? S21A C30 S14A 84.2(10) . 2_566 ? C33A C30 S14A 101.9(10) . 2_566 ? C35 C30 S14A 95.8(10) . 2_566 ? C27 C30 S14A 90.1(10) . 2_566 ? S19 C30 S14A 100.2(8) . 2_566 ? S24 C30 S14A 154.9(8) 2_666 2_566 ? C24 C30 S14A 26.7(5) 2_566 2_566 ? C37 C30 S14A 164.8(8) 2_666 2_566 ? C22B C30 S14A 0.0(5) 2_566 2_566 ? C31 C30 C26 81.5(17) . . ? S18 C30 C26 38.9(7) . . ? S21A C30 C26 162.4(13) . . ? C33A C30 C26 115.5(10) . . ? C35 C30 C26 151.6(12) . . ? C27 C30 C26 4.6(7) . . ? S19 C30 C26 44.7(6) . . ? S24 C30 C26 92.9(7) 2_666 . ? C24 C30 C26 98.3(9) 2_566 . ? C37 C30 C26 75.4(7) 2_666 . ? C22B C30 C26 89.8(7) 2_566 . ? S14A C30 C26 89.8(7) 2_566 . ? C30 C31 C33A 117(2) . . ? C30 C31 S19 116(2) . . ? C33A C31 S19 127(2) . . ? C30 C31 C35 78.8(17) . . ? C33A C31 C35 38.1(12) . . ? S19 C31 C35 165.0(17) . . ? C30 C31 C27 73.8(17) . . ? C33A C31 C27 169.2(19) . . ? S19 C31 C27 42.5(8) . . ? C35 C31 C27 152.6(15) . . ? C30 C31 S21A 37.0(13) . . ? C33A C31 S21A 80.0(14) . . ? S19 C31 S21A 153.2(15) . . ? C35 C31 S21A 41.9(8) . . ? C27 C31 S21A 110.7(11) . . ? C30 C31 S18 34.3(13) . . ? C33A C31 S18 151.3(18) . . ? S19 C31 S18 81.9(10) . . ? C35 C31 S18 113.2(12) . . ? C27 C31 S18 39.4(7) . . ? S21A C31 S18 71.3(7) . . ? C30 C31 S25 104(2) . 2_666 ? C33A C31 S25 83.4(16) . 2_666 ? S19 C31 S25 82.9(11) . 2_666 ? C35 C31 S25 92.7(12) . 2_666 ? C27 C31 S25 95.3(10) . 2_666 ? S21A C31 S25 102.2(9) . 2_666 ? S18 C31 S25 102.4(9) . 2_666 ? C30 C31 C24 80.3(19) . 2_566 ? C33A C31 C24 85.2(16) . 2_566 ? S19 C31 C24 104.8(13) . 2_566 ? C35 C31 C24 77.6(12) . 2_566 ? C27 C31 C24 96.1(11) . 2_566 ? S21A C31 C24 74.9(9) . 2_566 ? S18 C31 C24 87.3(10) . 2_566 ? S25 C31 C24 168.5(9) 2_666 2_566 ? C30 C31 C37 80.9(19) . 2_666 ? C33A C31 C37 106.2(18) . 2_666 ? S19 C31 C37 80.8(11) . 2_666 ? C35 C31 C37 101.8(12) . 2_666 ? C27 C31 C37 75.6(10) . 2_666 ? S21A C31 C37 91.9(9) . 2_666 ? S18 C31 C37 75.4(8) . 2_666 ? S25 C31 C37 27.0(5) 2_666 2_666 ? C24 C31 C37 161.0(10) 2_566 2_666 ? C30 C31 S14B 100(2) . 2_566 ? C33A C31 S14B 88.2(16) . 2_566 ? S19 C31 S14B 83.9(11) . 2_566 ? C35 C31 S14B 94.7(12) . 2_566 ? C27 C31 S14B 88.7(10) . 2_566 ? S21A C31 S14B 98.8(9) . 2_566 ? S18 C31 S14B 95.9(9) . 2_566 ? S25 C31 S14B 155.6(9) 2_666 2_566 ? C24 C31 S14B 24.0(6) 2_566 2_566 ? C37 C31 S14B 163.4(10) 2_666 2_566 ? C30 C31 C22A 100(2) . 2_566 ? C33A C31 C22A 88.2(16) . 2_566 ? S19 C31 C22A 83.9(11) . 2_566 ? C35 C31 C22A 94.7(12) . 2_566 ? C27 C31 C22A 88.7(10) . 2_566 ? S21A C31 C22A 98.8(9) . 2_566 ? S18 C31 C22A 95.9(9) . 2_566 ? S25 C31 C22A 155.6(9) 2_666 2_566 ? C24 C31 C22A 24.0(6) 2_566 2_566 ? C37 C31 C22A 163.4(10) 2_666 2_566 ? S14B C31 C22A 0.0(12) 2_566 2_566 ? C32A C34 S20A 119.5(19) . . ? C32A C34 C28 43.3(11) . . ? S20A C34 C28 76.3(13) . . ? C32A C34 C29 76.4(15) . . ? S20A C34 C29 43.3(11) . . ? C28 C34 C29 33.1(10) . . ? C32A C34 O8 82.5(13) . . ? S20A C34 O8 157.7(17) . . ? C28 C34 O8 125.1(14) . . ? C29 C34 O8 157.4(16) . . ? C32A C34 C47 156.8(17) . . ? S20A C34 C47 83.7(13) . . ? C28 C34 C47 159.3(14) . . ? C29 C34 C47 126.6(14) . . ? O8 C34 C47 74.3(10) . . ? C32A C34 C20 77.0(14) . 2_566 ? S20A C34 C20 94.3(14) . 2_566 ? C28 C34 C20 75.1(12) . 2_566 ? C29 C34 C20 80.9(12) . 2_566 ? O8 C34 C20 86.6(12) . 2_566 ? C47 C34 C20 101.5(11) . 2_566 ? C32A C34 C21 94.7(16) . 2_566 ? S20A C34 C21 76.5(13) . 2_566 ? C28 C34 C21 81.0(12) . 2_566 ? C29 C34 C21 74.9(12) . 2_566 ? O8 C34 C21 99.1(13) . 2_566 ? C47 C34 C21 89.3(10) . 2_566 ? C20 C34 C21 20.5(5) 2_566 2_566 ? C32A C34 S15B 79.8(15) . 2_566 ? S20A C34 S15B 114.0(16) . 2_566 ? C28 C34 S15B 93.5(13) . 2_566 ? C29 C34 S15B 104.6(14) . 2_566 ? O8 C34 S15B 63.1(11) . 2_566 ? C47 C34 S15B 89.8(11) . 2_566 ? C20 C34 S15B 24.0(5) 2_566 2_566 ? C21 C34 S15B 37.7(6) 2_566 2_566 ? C32A C34 C23A 79.8(15) . 2_566 ? S20A C34 C23A 114.0(16) . 2_566 ? C28 C34 C23A 93.5(13) . 2_566 ? C29 C34 C23A 104.6(14) . 2_566 ? O8 C34 C23A 63.1(11) . 2_566 ? C47 C34 C23A 89.8(11) . 2_566 ? C20 C34 C23A 24.0(5) 2_566 2_566 ? C21 C34 C23A 37.7(6) 2_566 2_566 ? S15B C34 C23A 0.0(14) 2_566 2_566 ? C32A C34 H34A 107.4 . . ? S20A C34 H34A 107.5 . . ? C28 C34 H34A 120.9 . . ? C29 C34 H34A 120.9 . . ? O8 C34 H34A 58.2 . . ? C47 C34 H34A 60.2 . . ? C20 C34 H34A 46.0 2_566 . ? C21 C34 H34A 46.2 2_566 . ? S15B C34 H34A 29.6 2_566 . ? C23A C34 H34A 29.6 2_566 . ? C32A C34 H34B 107.5 . . ? S20A C34 H34B 107.5 . . ? C28 C34 H34B 128.6 . . ? C29 C34 H34B 128.6 . . ? O8 C34 H34B 65.7 . . ? C47 C34 H34B 62.7 . . ? C20 C34 H34B 150.5 2_566 . ? C21 C34 H34B 150.4 2_566 . ? S15B C34 H34B 126.7 2_566 . ? C23A C34 H34B 126.7 2_566 . ? H34A C34 H34B 107.0 . . ? C33A C35 S21A 112.8(17) . . ? C33A C35 C31 37.7(12) . . ? S21A C35 C31 75.0(11) . . ? C33A C35 C30 68.7(14) . . ? S21A C35 C30 44.0(8) . . ? C31 C35 C30 31.0(9) . . ? C33A C35 O5 162(2) . 2_666 ? S21A C35 O5 79.3(10) . 2_666 ? C31 C35 O5 150.8(13) . 2_666 ? C30 C35 O5 121.8(12) . 2_666 ? C33A C35 O4 62.4(14) . 1_566 ? S21A C35 O4 135.0(15) . 1_566 ? C31 C35 O4 89.5(11) . 1_566 ? C30 C35 O4 112.3(12) . 1_566 ? O5 C35 O4 118.8(10) 2_666 1_566 ? C33A C35 C41 75.0(15) . 2_666 ? S21A C35 C41 93.5(11) . 2_666 ? C31 C35 C41 76.1(11) . 2_666 ? C30 C35 C41 81.2(10) . 2_666 ? O5 C35 C41 92.0(10) 2_666 2_666 ? O4 C35 C41 123.9(10) 1_566 2_666 ? C33A C35 C40 91.4(16) . 2_666 ? S21A C35 C40 75.2(10) . 2_666 ? C31 C35 C40 81.1(11) . 2_666 ? C30 C35 C40 75.0(10) . 2_666 ? O5 C35 C40 79.0(9) 2_666 2_666 ? O4 C35 C40 144.7(11) 1_566 2_666 ? C41 C35 C40 20.8(6) 2_666 2_666 ? C33A C35 S27B 81.0(15) . 2_666 ? S21A C35 S27B 114.0(12) . 2_666 ? C31 C35 S27B 95.5(12) . 2_666 ? C30 C35 S27B 105.9(11) . 2_666 ? O5 C35 S27B 82.3(9) 2_666 2_666 ? O4 C35 S27B 109.3(9) 1_566 2_666 ? C41 C35 S27B 25.1(5) 2_666 2_666 ? C40 C35 S27B 39.1(6) 2_666 2_666 ? C33A C35 C43A 81.0(15) . 2_666 ? S21A C35 C43A 114.0(12) . 2_666 ? C31 C35 C43A 95.5(12) . 2_666 ? C30 C35 C43A 105.9(11) . 2_666 ? O5 C35 C43A 82.3(9) 2_666 2_666 ? O4 C35 C43A 109.3(9) 1_566 2_666 ? C41 C35 C43A 25.1(5) 2_666 2_666 ? C40 C35 C43A 39.1(6) 2_666 2_666 ? S27B C35 C43A 0.0(10) 2_666 2_666 ? C33A C35 S9A 116.2(14) . 2_667 ? S21A C35 S9A 130.9(11) . 2_667 ? C31 C35 S9A 153.8(11) . 2_667 ? C30 C35 S9A 174.4(12) . 2_667 ? O5 C35 S9A 54.3(6) 2_666 2_667 ? O4 C35 S9A 69.3(7) 1_566 2_667 ? C41 C35 S9A 102.5(8) 2_666 2_667 ? C40 C35 S9A 107.0(8) 2_666 2_667 ? S27B C35 S9A 78.1(6) 2_666 2_667 ? C43A C35 S9A 78.1(6) 2_666 2_667 ? C33A C35 C13B 116.2(14) . 2_667 ? S21A C35 C13B 130.9(11) . 2_667 ? C31 C35 C13B 153.8(11) . 2_667 ? C30 C35 C13B 174.4(12) . 2_667 ? O5 C35 C13B 54.3(6) 2_666 2_667 ? O4 C35 C13B 69.3(7) 1_566 2_667 ? C41 C35 C13B 102.5(8) 2_666 2_667 ? C40 C35 C13B 107.0(8) 2_666 2_667 ? S27B C35 C13B 78.1(6) 2_666 2_667 ? C43A C35 C13B 78.1(6) 2_666 2_667 ? S9A C35 C13B 0.0(7) 2_667 2_667 ? C33A C35 C45 104.9(17) . 2_666 ? S21A C35 C45 101.0(12) . 2_666 ? C31 C35 C45 112.7(13) . 2_666 ? C30 C35 C45 111.6(12) . 2_666 ? O5 C35 C45 58.9(9) 2_666 2_666 ? O4 C35 C45 123.8(10) 1_566 2_666 ? C41 C35 C45 36.7(7) 2_666 2_666 ? C40 C35 C45 36.7(7) 2_666 2_666 ? S27B C35 C45 24.1(5) 2_666 2_666 ? C43A C35 C45 24.1(5) 2_666 2_666 ? S9A C35 C45 70.5(7) 2_667 2_666 ? C13B C35 C45 70.5(7) 2_667 2_666 ? C33A C35 H35A 109.0 . . ? S21A C35 H35A 109.1 . . ? C31 C35 H35A 124.5 . . ? C30 C35 H35A 126.3 . . ? O5 C35 H35A 77.1 2_666 . ? O4 C35 H35A 47.4 1_566 . ? C41 C35 H35A 152.2 2_666 . ? C40 C35 H35A 154.3 2_666 . ? S27B C35 H35A 127.2 2_666 . ? C43A C35 H35A 127.2 2_666 . ? S9A C35 H35A 50.4 2_667 . ? C13B C35 H35A 50.4 2_667 . ? C45 C35 H35A 120.0 2_666 . ? C33A C35 H35B 109.0 . . ? S21A C35 H35B 109.0 . . ? C31 C35 H35B 123.3 . . ? C30 C35 H35B 124.0 . . ? O5 C35 H35B 53.6 2_666 . ? O4 C35 H35B 114.7 1_566 . ? C41 C35 H35B 47.6 2_666 . ? C40 C35 H35B 49.0 2_666 . ? S27B C35 H35B 29.4 2_666 . ? C43A C35 H35B 29.4 2_666 . ? S9A C35 H35B 58.1 2_667 . ? C13B C35 H35B 58.1 2_667 . ? C45 C35 H35B 12.4 2_666 . ? H35A C35 H35B 107.8 . . ? C36 S22 C38 94.2(13) . . ? C36 S22 C39 66.9(11) . . ? C38 S22 C39 27.3(10) . . ? C36 S22 C37 25.6(10) . . ? C38 S22 C37 119.9(11) . . ? C39 S22 C37 92.5(8) . . ? C36 S22 S23 31.6(9) . . ? C38 S22 S23 62.6(9) . . ? C39 S22 S23 35.3(6) . . ? C37 S22 S23 57.3(6) . . ? C36 S22 C42A 121.6(10) . . ? C38 S22 C42A 27.4(9) . . ? C39 S22 C42A 54.7(6) . . ? C37 S22 C42A 147.2(7) . . ? S23 S22 C42A 90.0(4) . . ? C36 S22 S24 58.7(9) . . ? C38 S22 S24 152.9(9) . . ? C39 S22 S24 125.6(6) . . ? C37 S22 S24 33.0(5) . . ? S23 S22 S24 90.3(3) . . ? C42A S22 S24 178.4(5) . . ? C36 S22 C22B 161.7(11) . 2_566 ? C38 S22 C22B 92.7(9) . 2_566 ? C39 S22 C22B 118.8(6) . 2_566 ? C37 S22 C22B 143.7(6) . 2_566 ? S23 S22 C22B 150.4(4) . 2_566 ? C42A S22 C22B 66.2(4) . 2_566 ? S24 S22 C22B 113.1(3) . 2_566 ? C36 S22 S14A 161.7(11) . 2_566 ? C38 S22 S14A 92.7(9) . 2_566 ? C39 S22 S14A 118.8(6) . 2_566 ? C37 S22 S14A 143.7(6) . 2_566 ? S23 S22 S14A 150.4(4) . 2_566 ? C42A S22 S14A 66.2(4) . 2_566 ? S24 S22 S14A 113.1(3) . 2_566 ? C22B S22 S14A 0.0(6) 2_566 2_566 ? C36 S22 S10 119.4(10) . 2_566 ? C38 S22 S10 141.6(9) . 2_566 ? C39 S22 S10 161.9(7) . 2_566 ? C37 S22 S10 95.0(6) . 2_566 ? S23 S22 S10 148.1(3) . 2_566 ? C42A S22 S10 115.9(4) . 2_566 ? S24 S22 S10 63.3(2) . 2_566 ? C22B S22 S10 49.7(2) 2_566 2_566 ? S14A S22 S10 49.7(2) 2_566 2_566 ? C39 S23 C36 92.9(13) . . ? C39 S23 C38 26.3(10) . . ? C36 S23 C38 66.6(11) . . ? C39 S23 C37 119.4(10) . . ? C36 S23 C37 26.5(10) . . ? C38 S23 C37 93.1(8) . . ? C39 S23 S22 61.7(9) . . ? C36 S23 S22 31.2(9) . . ? C38 S23 S22 35.4(6) . . ? C37 S23 S22 57.7(6) . . ? C39 S23 S26A 28.2(9) . . ? C36 S23 S26A 121.1(10) . . ? C38 S23 S26A 54.5(6) . . ? C37 S23 S26A 147.6(6) . . ? S22 S23 S26A 89.9(3) . . ? C39 S23 S25 151.4(9) . . ? C36 S23 S25 58.5(9) . . ? C38 S23 S25 125.2(6) . . ? C37 S23 S25 32.0(5) . . ? S22 S23 S25 89.7(3) . . ? S26A S23 S25 179.0(4) . . ? C39 S23 S5 93.0(9) . . ? C36 S23 S5 158.2(10) . . ? C38 S23 S5 117.6(6) . . ? C37 S23 S5 141.6(6) . . ? S22 S23 S5 148.0(4) . . ? S26A S23 S5 66.9(3) . . ? S25 S23 S5 113.1(3) . . ? C39 S23 S8A 141.1(10) . . ? C36 S23 S8A 118.7(9) . . ? C38 S23 S8A 158.7(7) . . ? C37 S23 S8A 94.0(6) . . ? S22 S23 S8A 146.0(4) . . ? S26A S23 S8A 116.2(4) . . ? S25 S23 S8A 63.8(2) . . ? S5 S23 S8A 49.3(2) . . ? C39 S23 C17 73.1(10) . . ? C36 S23 C17 77.2(11) . . ? C38 S23 C17 68.0(7) . . ? C37 S23 C17 86.6(7) . . ? S22 S23 C17 69.3(4) . . ? S26A S23 C17 81.5(4) . . ? S25 S23 C17 99.2(4) . . ? S5 S23 C17 124.7(4) . . ? S8A S23 C17 132.5(5) . . ? C37 S24 C40 94.6(13) . . ? C37 S24 C41 66.8(10) . . ? C40 S24 C41 27.7(10) . . ? C37 S24 C36 26.8(9) . . ? C40 S24 C36 121.4(11) . . ? C41 S24 C36 93.6(8) . . ? C37 S24 S25 31.0(8) . . ? C40 S24 S25 63.6(9) . . ? C41 S24 S25 35.8(6) . . ? C36 S24 S25 57.9(6) . . ? C37 S24 S27A 120.3(9) . . ? C40 S24 S27A 25.7(9) . . ? C41 S24 S27A 53.5(6) . . ? C36 S24 S27A 147.1(7) . . ? S25 S24 S27A 89.3(3) . . ? C37 S24 S22 59.3(8) . . ? C40 S24 S22 153.9(10) . . ? C41 S24 S22 126.2(6) . . ? C36 S24 S22 32.5(6) . . ? S25 S24 S22 90.4(3) . . ? S27A S24 S22 179.5(4) . . ? C37 S24 S10 121.7(9) . 2_566 ? C40 S24 S10 139.2(10) . 2_566 ? C41 S24 S10 160.5(7) . 2_566 ? C36 S24 S10 96.0(6) . 2_566 ? S25 S24 S10 150.0(3) . 2_566 ? S27A S24 S10 115.3(3) . 2_566 ? S22 S24 S10 64.9(2) . 2_566 ? C37 S24 C30 78.9(10) . 2_666 ? C40 S24 C30 85.7(11) . 2_666 ? C41 S24 C30 80.8(7) . 2_666 ? C36 S24 C30 83.1(7) . 2_666 ? S25 S24 C30 77.1(5) . 2_666 ? S27A S24 C30 90.8(5) . 2_666 ? S22 S24 C30 89.5(5) . 2_666 ? S10 S24 C30 117.1(5) 2_566 2_666 ? C37 S24 C18 79.8(11) . . ? C40 S24 C18 82.4(11) . . ? C41 S24 C18 78.1(7) . . ? C36 S24 C18 84.1(7) . . ? S25 S24 C18 77.5(4) . . ? S27A S24 C18 88.1(5) . . ? S22 S24 C18 91.5(4) . . ? S10 S24 C18 86.0(4) 2_566 . ? C30 S24 C18 154.6(6) 2_666 . ? C37 S24 S12 165.4(10) . 2_566 ? C40 S24 S12 88.1(9) . 2_566 ? C41 S24 S12 115.0(6) . 2_566 ? C36 S24 S12 147.2(6) . 2_566 ? S25 S24 S12 148.8(3) . 2_566 ? S27A S24 S12 63.4(3) . 2_566 ? S22 S24 S12 116.9(3) . 2_566 ? S10 S24 S12 52.0(2) 2_566 2_566 ? C30 S24 S12 115.6(5) 2_666 2_566 ? C18 S24 S12 86.4(4) . 2_566 ? C37 S24 S10 78.6(9) . . ? C40 S24 S10 109.8(11) . . ? C41 S24 S10 102.7(7) . . ? C36 S24 S10 70.6(6) . . ? S25 S24 S10 90.5(3) . . ? S27A S24 S10 112.5(4) . . ? S22 S24 S10 67.1(3) . . ? S10 S24 S10 65.1(3) 2_566 . ? C30 S24 S10 153.6(5) 2_666 . ? C18 S24 S10 27.4(4) . . ? S12 S24 S10 87.0(3) 2_566 . ? C37 S24 S14A 101.9(10) . . ? C40 S24 S14A 68.3(10) . . ? C41 S24 S14A 75.8(7) . . ? C36 S24 S14A 109.5(7) . . ? S25 S24 S14A 90.3(3) . . ? S27A S24 S14A 66.1(3) . . ? S22 S24 S14A 113.5(3) . . ? S10 S24 S14A 85.0(3) 2_566 . ? C30 S24 S14A 154.0(4) 2_666 . ? C18 S24 S14A 25.4(4) . . ? S12 S24 S14A 65.9(2) 2_566 . ? S10 S24 S14A 46.4(2) . . ? C37 S25 C41 93.7(12) . . ? C37 S25 C40 67.8(11) . . ? C41 S25 C40 25.9(10) . . ? C37 S25 C36 25.4(10) . . ? C41 S25 C36 119.1(11) . . ? C40 S25 C36 93.2(8) . . ? C37 S25 S24 31.6(9) . . ? C41 S25 S24 62.1(9) . . ? C40 S25 S24 36.2(6) . . ? C36 S25 S24 57.0(6) . . ? C37 S25 C43A 120.8(10) . . ? C41 S25 C43A 27.1(9) . . ? C40 S25 C43A 52.9(7) . . ? C36 S25 C43A 146.1(7) . . ? S24 S25 C43A 89.2(4) . . ? C37 S25 S23 58.0(9) . . ? C41 S25 S23 151.6(9) . . ? C40 S25 S23 125.8(6) . . ? C36 S25 S23 32.6(6) . . ? S24 S25 S23 89.6(3) . . ? C43A S25 S23 178.1(5) . . ? C37 S25 O2 160.6(12) . . ? C41 S25 O2 84.6(10) . . ? C40 S25 O2 108.7(7) . . ? C36 S25 O2 150.6(8) . . ? S24 S25 O2 141.3(5) . . ? C43A S25 O2 59.0(5) . . ? S23 S25 O2 122.7(5) . . ? C37 S25 C31 78.9(11) . 2_666 ? C41 S25 C31 85.7(11) . 2_666 ? C40 S25 C31 80.2(8) . 2_666 ? C36 S25 C31 83.0(8) . 2_666 ? S24 S25 C31 76.9(5) . 2_666 ? C43A S25 C31 90.5(6) . 2_666 ? S23 S25 C31 90.6(5) . 2_666 ? O2 S25 C31 81.7(6) . 2_666 ? C37 S25 S8A 119.0(10) . . ? C41 S25 S8A 142.4(9) . . ? C40 S25 S8A 160.5(7) . . ? C36 S25 S8A 95.1(6) . . ? S24 S25 S8A 147.1(4) . . ? C43A S25 S8A 117.2(4) . . ? S23 S25 S8A 64.4(2) . . ? O2 S25 S8A 58.3(4) . . ? C31 S25 S8A 83.2(5) 2_666 . ? C37 S25 C19 78.7(11) . . ? C41 S25 C19 82.3(10) . . ? C40 S25 C19 78.8(8) . . ? C36 S25 C19 82.7(7) . . ? S24 S25 C19 76.9(5) . . ? C43A S25 C19 89.3(6) . . ? S23 S25 C19 89.1(5) . . ? O2 S25 C19 120.0(7) . . ? C31 S25 C19 153.8(6) 2_666 . ? S8A S25 C19 119.8(5) . . ? C37 S25 S21B 99.0(10) . 2_666 ? C41 S25 S21B 72.1(10) . 2_666 ? C40 S25 S21B 76.6(7) . 2_666 ? C36 S25 S21B 106.4(7) . 2_666 ? S24 S25 S21B 87.7(4) . 2_666 ? C43A S25 S21B 69.6(5) . 2_666 ? S23 S25 S21B 111.8(4) . 2_666 ? O2 S25 S21B 62.1(6) . 2_666 ? C31 S25 S21B 23.5(5) 2_666 2_666 ? S8A S25 S21B 84.1(4) . 2_666 ? C19 S25 S21B 154.2(6) . 2_666 ? C37 S25 C33A 99.0(10) . 2_666 ? C41 S25 C33A 72.1(10) . 2_666 ? C40 S25 C33A 76.6(7) . 2_666 ? C36 S25 C33A 106.4(7) . 2_666 ? S24 S25 C33A 87.7(4) . 2_666 ? C43A S25 C33A 69.6(5) . 2_666 ? S23 S25 C33A 111.8(4) . 2_666 ? O2 S25 C33A 62.1(6) . 2_666 ? C31 S25 C33A 23.5(5) 2_666 2_666 ? S8A S25 C33A 84.1(4) . 2_666 ? C19 S25 C33A 154.2(6) . 2_666 ? S21B S25 C33A 0.0(13) 2_666 2_666 ? C37 S25 S19 77.3(10) . 2_666 ? C41 S25 S19 112.4(10) . 2_666 ? C40 S25 S19 104.1(7) . 2_666 ? C36 S25 S19 69.9(6) . 2_666 ? S24 S25 S19 89.4(3) . 2_666 ? C43A S25 S19 114.7(4) . 2_666 ? S23 S25 S19 66.7(3) . 2_666 ? O2 S25 S19 85.5(5) . 2_666 ? C31 S25 S19 26.8(4) 2_666 2_666 ? S8A S25 S19 62.7(2) . 2_666 ? C19 S25 S19 152.4(5) . 2_666 ? S21B S25 S19 45.1(4) 2_666 2_666 ? C33A S25 S19 45.1(4) 2_666 2_666 ? C37 S25 C4B 132.0(10) . 2_556 ? C41 S25 C4B 110.4(10) . 2_556 ? C40 S25 C4B 128.8(7) . 2_556 ? C36 S25 C4B 115.3(6) . 2_556 ? S24 S25 C4B 142.0(4) . 2_556 ? C43A S25 C4B 90.2(4) . 2_556 ? S23 S25 C4B 89.9(3) . 2_556 ? O2 S25 C4B 65.7(5) . 2_556 ? C31 S25 C4B 141.2(5) 2_666 2_556 ? S8A S25 C4B 62.2(3) . 2_556 ? C19 S25 C4B 65.0(5) . 2_556 ? S21B S25 C4B 127.3(4) 2_666 2_556 ? C33A S25 C4B 127.3(4) 2_666 2_556 ? S19 S25 C4B 124.9(3) 2_666 2_556 ? C37 S25 S3A 132.0(10) . 2_556 ? C41 S25 S3A 110.4(10) . 2_556 ? C40 S25 S3A 128.8(7) . 2_556 ? C36 S25 S3A 115.3(6) . 2_556 ? S24 S25 S3A 142.0(4) . 2_556 ? C43A S25 S3A 90.2(4) . 2_556 ? S23 S25 S3A 89.9(3) . 2_556 ? O2 S25 S3A 65.7(5) . 2_556 ? C31 S25 S3A 141.2(5) 2_666 2_556 ? S8A S25 S3A 62.2(3) . 2_556 ? C19 S25 S3A 65.0(5) . 2_556 ? S21B S25 S3A 127.3(4) 2_666 2_556 ? C33A S25 S3A 127.3(4) 2_666 2_556 ? S19 S25 S3A 124.9(3) 2_666 2_556 ? C4B S25 S3A 0.0(6) 2_556 2_556 ? C37 C36 S22 123(2) . . ? C37 C36 S23 120(2) . . ? S22 C36 S23 117.2(16) . . ? C37 C36 C39 163(2) . . ? S22 C36 C39 74.0(11) . . ? S23 C36 C39 43.2(9) . . ? C37 C36 C38 166(2) . . ? S22 C36 C38 43.1(9) . . ? S23 C36 C38 74.1(11) . . ? C39 C36 C38 31.0(8) . . ? C37 C36 S24 33.9(12) . . ? S22 C36 S24 88.8(11) . . ? S23 C36 S24 154.0(14) . . ? C39 C36 S24 162.8(13) . . ? C38 C36 S24 131.9(12) . . ? C37 C36 S25 31.3(12) . . ? S22 C36 S25 154.0(14) . . ? S23 C36 S25 88.8(11) . . ? C39 C36 S25 132.0(12) . . ? C38 C36 S25 163.0(13) . . ? S24 C36 S25 65.2(6) . . ? C37 C36 C16 92.2(18) . . ? S22 C36 C16 89.7(12) . . ? S23 C36 C16 87.9(11) . . ? C39 C36 C16 88.1(11) . . ? C38 C36 C16 88.2(11) . . ? S24 C36 C16 91.8(9) . . ? S25 C36 C16 91.9(9) . . ? C37 C36 C27 93.2(18) . 2_666 ? S22 C36 C27 87.1(12) . 2_666 ? S23 C36 C27 89.7(12) . 2_666 ? C39 C36 C27 86.9(11) . 2_666 ? C38 C36 C27 86.5(11) . 2_666 ? S24 C36 C27 92.4(9) . 2_666 ? S25 C36 C27 92.9(8) . 2_666 ? C16 C36 C27 174.7(10) . 2_666 ? C37 C36 S19 77.9(16) . 2_666 ? S22 C36 S19 114.2(13) . 2_666 ? S23 C36 S19 78.5(10) . 2_666 ? C39 C36 S19 95.3(10) . 2_666 ? C38 C36 S19 106.8(11) . 2_666 ? S24 C36 S19 91.9(7) . 2_666 ? S25 C36 S19 68.2(6) . 2_666 ? C16 C36 S19 155.8(9) . 2_666 ? C27 C36 S19 27.2(4) 2_666 2_666 ? C37 C36 C17 112.6(19) . . ? S22 C36 C17 79.9(10) . . ? S23 C36 C17 77.0(11) . . ? C39 C36 C17 68.2(10) . . ? C38 C36 C17 68.8(10) . . ? S24 C36 C17 109.3(9) . . ? S25 C36 C17 108.6(9) . . ? C16 C36 C17 20.5(5) . . ? C27 C36 C17 154.2(10) 2_666 . ? S19 C36 C17 155.3(9) 2_666 . ? C36 C37 S25 123(2) . . ? C36 C37 S24 119.3(19) . . ? S25 C37 S24 117.4(15) . . ? C36 C37 C41 167(2) . . ? S25 C37 C41 43.6(8) . . ? S24 C37 C41 73.8(11) . . ? C36 C37 C40 162(2) . . ? S25 C37 C40 74.2(11) . . ? S24 C37 C40 43.1(9) . . ? C41 C37 C40 30.6(8) . . ? C36 C37 S23 33.4(13) . . ? S25 C37 S23 90.0(10) . . ? S24 C37 S23 152.7(13) . . ? C41 C37 S23 133.5(12) . . ? C40 C37 S23 164.1(12) . . ? C36 C37 S22 31.7(13) . . ? S25 C37 S22 155.0(14) . . ? S24 C37 S22 87.6(10) . . ? C41 C37 S22 161.3(12) . . ? C40 C37 S22 130.7(12) . . ? S23 C37 S22 65.1(6) . . ? C36 C37 C31 104.4(19) . 2_666 ? S25 C37 C31 74.0(10) . 2_666 ? S24 C37 C31 91.2(11) . 2_666 ? C41 C37 C31 75.0(10) . 2_666 ? C40 C37 C31 80.0(10) . 2_666 ? S23 C37 C31 97.4(9) . 2_666 ? S22 C37 C31 106.8(10) . 2_666 ? C36 C37 C30 103.5(19) . 2_666 ? S25 C37 C30 91.7(11) . 2_666 ? S24 C37 C30 73.8(10) . 2_666 ? C41 C37 C30 80.6(10) . 2_666 ? C40 C37 C30 74.6(10) . 2_666 ? S23 C37 C30 108.0(9) . 2_666 ? S22 C37 C30 95.1(9) . 2_666 ? C31 C37 C30 20.4(6) 2_666 2_666 ? C36 C37 C19 103.7(19) . . ? S25 C37 C19 75.0(11) . . ? S24 C37 C19 91.1(11) . . ? C41 C37 C19 73.3(10) . . ? C40 C37 C19 78.8(11) . . ? S23 C37 C19 95.8(9) . . ? S22 C37 C19 107.1(9) . . ? C31 C37 C19 146.2(9) 2_666 . ? C30 C37 C19 152.7(9) 2_666 . ? C36 C37 C18 104.3(18) . . ? S25 C37 C18 91.4(12) . . ? S24 C37 C18 73.4(10) . . ? C41 C37 C18 77.4(10) . . ? C40 C37 C18 72.1(10) . . ? S23 C37 C18 107.4(9) . . ? S22 C37 C18 96.9(8) . . ? C31 C37 C18 151.3(9) 2_666 . ? C30 C37 C18 144.4(9) 2_666 . ? C19 C37 C18 19.9(5) . . ? C36 C37 S19 80.9(17) . 2_666 ? S25 C37 S19 76.9(10) . 2_666 ? S24 C37 S19 113.8(12) . 2_666 ? C41 C37 S19 95.1(10) . 2_666 ? C40 C37 S19 106.1(10) . 2_666 ? S23 C37 S19 70.9(6) . 2_666 ? S22 C37 S19 93.1(8) . 2_666 ? C31 C37 S19 26.6(5) 2_666 2_666 ? C30 C37 S19 40.2(5) 2_666 2_666 ? C19 C37 S19 148.8(8) . 2_666 ? C18 C37 S19 168.0(8) . 2_666 ? C36 C37 C16 66.5(16) . . ? S25 C37 C16 102.7(12) . . ? S24 C37 C16 101.2(11) . . ? C41 C37 C16 111.6(12) . . ? C40 C37 C16 111.5(12) . . ? S23 C37 C16 69.9(7) . . ? S22 C37 C16 70.7(7) . . ? C31 C37 C16 167.1(9) 2_666 . ? C30 C37 C16 165.4(9) 2_666 . ? C19 C37 C16 38.3(6) . . ? C18 C37 C16 39.3(6) . . ? S19 C37 C16 140.8(8) 2_666 . ? C39 C38 C42A 120(2) . . ? C39 C38 S22 116(2) . . ? C42A C38 S22 123.7(17) . . ? C39 C38 C44 75.9(17) . . ? C42A C38 C44 43.9(10) . . ? S22 C38 C44 167.5(16) . . ? C39 C38 C36 73.7(16) . . ? C42A C38 C36 166.2(17) . . ? S22 C38 C36 42.7(9) . . ? C44 C38 C36 149.6(14) . . ? C39 C38 S26A 36.0(13) . . ? C42A C38 S26A 83.9(12) . . ? S22 C38 S26A 152.4(14) . . ? C44 C38 S26A 40.0(8) . . ? C36 C38 S26A 109.7(11) . . ? C39 C38 S23 34.5(13) . . ? C42A C38 S23 154.3(15) . . ? S22 C38 S23 81.9(10) . . ? C44 C38 S23 110.4(12) . . ? C36 C38 S23 39.2(7) . . ? S26A C38 S23 70.5(7) . . ? C39 C38 S12 101.5(19) . . ? C42A C38 S12 82.5(12) . . ? S22 C38 S12 85.2(11) . . ? C44 C38 S12 90.9(11) . . ? C36 C38 S12 93.1(10) . . ? S26A C38 S12 99.0(8) . . ? S23 C38 S12 98.9(8) . . ? C39 C38 C26 80.1(17) . 2_666 ? C42A C38 C26 108.9(14) . 2_666 ? S22 C38 C26 81.8(10) . 2_666 ? C44 C38 C26 102.9(12) . 2_666 ? C36 C38 C26 74.0(10) . 2_666 ? S26A C38 C26 90.4(9) . 2_666 ? S23 C38 C26 74.5(7) . 2_666 ? S12 C38 C26 166.1(9) . 2_666 ? C39 C38 S16 102.6(18) . 2_666 ? C42A C38 S16 85.5(12) . 2_666 ? S22 C38 S16 84.2(10) . 2_666 ? C44 C38 S16 94.8(11) . 2_666 ? C36 C38 S16 93.8(10) . 2_666 ? S26A C38 S16 100.4(8) . 2_666 ? S23 C38 S16 101.0(8) . 2_666 ? S12 C38 S16 155.9(8) . 2_666 ? C26 C38 S16 26.6(5) 2_666 2_666 ? C39 C38 C17 78.5(18) . . ? C42A C38 C17 106.4(13) . . ? S22 C38 C17 82.7(11) . . ? C44 C38 C17 99.1(12) . . ? C36 C38 C17 72.9(10) . . ? S26A C38 C17 88.8(8) . . ? S23 C38 C17 71.7(7) . . ? S12 C38 C17 27.2(4) . . ? C26 C38 C17 144.4(9) 2_666 . ? S16 C38 C17 165.8(8) 2_666 . ? C38 C39 S26A 117(2) . . ? C38 C39 S23 119(2) . . ? S26A C39 S23 123.9(16) . . ? C38 C39 C44 72.2(16) . . ? S26A C39 C44 44.7(9) . . ? S23 C39 C44 168.2(16) . . ? C38 C39 C36 75.3(17) . . ? S26A C39 C36 167.8(16) . . ? S23 C39 C36 43.9(9) . . ? C44 C39 C36 147.4(14) . . ? C38 C39 C42A 33.4(13) . . ? S26A C39 C42A 83.4(11) . . ? S23 C39 C42A 152.6(14) . . ? C44 C39 C42A 38.8(8) . . ? C36 C39 C42A 108.7(12) . . ? C38 C39 S22 36.2(13) . . ? S26A C39 S22 153.1(14) . . ? S23 C39 S22 83.0(10) . . ? C44 C39 S22 108.4(11) . . ? C36 C39 S22 39.1(7) . . ? C42A C39 S22 69.7(7) . . ? C38 C39 S17 102.0(19) . 2_666 ? S26A C39 S17 84.8(11) . 2_666 ? S23 C39 S17 85.4(10) . 2_666 ? C44 C39 S17 95.2(11) . 2_666 ? C36 C39 S17 93.5(10) . 2_666 ? C42A C39 S17 101.0(9) . 2_666 ? S22 C39 S17 99.6(8) . 2_666 ? C38 C39 S13 103.3(19) . . ? S26A C39 S13 83.7(11) . . ? S23 C39 S13 82.5(10) . . ? C44 C39 S13 92.3(10) . . ? C36 C39 S13 93.1(10) . . ? C42A C39 S13 100.0(9) . . ? S22 C39 S13 100.8(8) . . ? S17 C39 S13 154.7(8) 2_666 . ? C38 C39 C17 81.0(18) . . ? S26A C39 C17 106.5(12) . . ? S23 C39 C17 81.0(11) . . ? C44 C39 C17 99.0(11) . . ? C36 C39 C17 73.6(10) . . ? C42A C39 C17 89.2(9) . . ? S22 C39 C17 74.4(7) . . ? S17 C39 C17 165.7(8) 2_666 . ? S13 C39 C17 26.5(4) . . ? C38 C39 C26 79.4(17) . 2_666 ? S26A C39 C26 107.7(13) . 2_666 ? S23 C39 C26 84.1(10) . 2_666 ? C44 C39 C26 101.7(12) . 2_666 ? C36 C39 C26 74.0(10) . 2_666 ? C42A C39 C26 89.9(9) . 2_666 ? S22 C39 C26 72.9(7) . 2_666 ? S17 C39 C26 26.7(5) 2_666 2_666 ? S13 C39 C26 165.8(9) . 2_666 ? C17 C39 C26 145.4(9) . 2_666 ? C41 C40 S27A 119(2) . . ? C41 C40 S24 115(2) . . ? S27A C40 S24 125.9(17) . . ? C41 C40 C45 73.4(18) . . ? S27A C40 C45 46.1(11) . . ? S24 C40 C45 171.9(18) . . ? C41 C40 C43A 35.4(13) . . ? S27A C40 C43A 84.1(12) . . ? S24 C40 C43A 150.0(15) . . ? C45 C40 C43A 38.0(9) . . ? C41 C40 C37 72.3(17) . . ? S27A C40 C37 168.2(17) . . ? S24 C40 C37 42.3(8) . . ? C45 C40 C37 145.7(15) . . ? C43A C40 C37 107.7(12) . . ? C41 C40 S25 34.4(13) . . ? S27A C40 S25 153.9(16) . . ? S24 C40 S25 80.2(10) . . ? C45 C40 S25 107.8(13) . . ? C43A C40 S25 69.8(8) . . ? C37 C40 S25 37.9(7) . . ? C41 C40 S14A 102.2(19) . . ? S27A C40 S14A 84.8(12) . . ? S24 C40 S14A 84.6(10) . . ? C45 C40 S14A 94.6(13) . . ? C43A C40 S14A 101.2(10) . . ? C37 C40 S14A 93.3(10) . . ? S25 C40 S14A 100.6(9) . . ? C41 C40 C33B 102.3(19) . 2_666 ? S27A C40 C33B 85.3(12) . 2_666 ? S24 C40 C33B 83.1(11) . 2_666 ? C45 C40 C33B 94.6(12) . 2_666 ? C43A C40 C33B 100.1(9) . 2_666 ? C37 C40 C33B 91.7(11) . 2_666 ? S25 C40 C33B 98.1(9) . 2_666 ? S14A C40 C33B 155.4(9) . 2_666 ? C41 C40 S21A 102.3(19) . 2_666 ? S27A C40 S21A 85.3(12) . 2_666 ? S24 C40 S21A 83.1(11) . 2_666 ? C45 C40 S21A 94.6(12) . 2_666 ? C43A C40 S21A 100.1(9) . 2_666 ? C37 C40 S21A 91.7(11) . 2_666 ? S25 C40 S21A 98.1(9) . 2_666 ? S14A C40 S21A 155.4(9) . 2_666 ? C33B C40 S21A 0.0(5) 2_666 2_666 ? C41 C40 C35 77.9(18) . 2_666 ? S27A C40 C35 85.8(12) . 2_666 ? S24 C40 C35 105.3(13) . 2_666 ? C45 C40 C35 75.0(12) . 2_666 ? C43A C40 C35 72.5(9) . 2_666 ? C37 C40 C35 96.9(11) . 2_666 ? S25 C40 C35 85.6(8) . 2_666 ? S14A C40 C35 169.2(9) . 2_666 ? C33B C40 C35 27.8(5) 2_666 2_666 ? S21A C40 C35 27.8(5) 2_666 2_666 ? C41 C40 C24 78.5(19) . . ? S27A C40 C24 85.2(13) . . ? S24 C40 C24 106.3(13) . . ? C45 C40 C24 75.5(12) . . ? C43A C40 C24 74.4(9) . . ? C37 C40 C24 98.5(12) . . ? S25 C40 C24 88.4(9) . . ? S14A C40 C24 27.0(5) . . ? C33B C40 C24 169.5(10) 2_666 . ? S21A C40 C24 169.5(10) 2_666 . ? C35 C40 C24 146.3(10) 2_666 . ? C41 C40 C18 88.5(18) . . ? S27A C40 C18 110.3(14) . . ? S24 C40 C18 70.8(10) . . ? C45 C40 C18 111.4(14) . . ? C43A C40 C18 102.3(10) . . ? C37 C40 C18 68.6(9) . . ? S25 C40 C18 77.3(8) . . ? S14A C40 C18 25.5(4) . . ? C33B C40 C18 153.8(9) 2_666 . ? S21A C40 C18 153.8(9) 2_666 . ? C35 C40 C18 162.8(10) 2_666 . ? C24 C40 C18 36.0(6) . . ? C40 C41 C43A 116(2) . . ? C40 C41 S25 120(2) . . ? C43A C41 S25 124.1(17) . . ? C40 C41 C45 74.0(18) . . ? C43A C41 C45 42.2(11) . . ? S25 C41 C45 166.2(16) . . ? C40 C41 C37 77.1(17) . . ? C43A C41 C37 166.7(17) . . ? S25 C41 C37 42.6(8) . . ? C45 C41 C37 151.0(15) . . ? C40 C41 S27A 33.3(14) . . ? C43A C41 S27A 82.9(12) . . ? S25 C41 S27A 152.9(14) . . ? C45 C41 S27A 40.7(9) . . ? C37 C41 S27A 110.3(11) . . ? C40 C41 S24 37.6(14) . . ? C43A C41 S24 153.7(15) . . ? S25 C41 S24 82.1(10) . . ? C45 C41 S24 111.6(12) . . ? C37 C41 S24 39.4(7) . . ? S27A C41 S24 70.9(7) . . ? C40 C41 O2 160(2) . . ? C43A C41 O2 60.5(10) . . ? S25 C41 O2 66.0(9) . . ? C45 C41 O2 100.4(11) . . ? C37 C41 O2 106.5(10) . . ? S27A C41 O2 138.0(10) . . ? S24 C41 O2 142.3(10) . . ? C40 C41 S21B 99.9(19) . 2_666 ? C43A C41 S21B 87.2(12) . 2_666 ? S25 C41 S21B 80.7(11) . 2_666 ? C45 C41 S21B 95.4(12) . 2_666 ? C37 C41 S21B 88.7(10) . 2_666 ? S27A C41 S21B 100.0(9) . 2_666 ? S24 C41 S21B 95.6(9) . 2_666 ? O2 C41 S21B 61.1(7) . 2_666 ? C40 C41 C33A 99.9(19) . 2_666 ? C43A C41 C33A 87.2(12) . 2_666 ? S25 C41 C33A 80.7(11) . 2_666 ? C45 C41 C33A 95.4(12) . 2_666 ? C37 C41 C33A 88.7(10) . 2_666 ? S27A C41 C33A 100.0(9) . 2_666 ? S24 C41 C33A 95.6(9) . 2_666 ? O2 C41 C33A 61.1(7) . 2_666 ? S21B C41 C33A 0.0(14) 2_666 2_666 ? C40 C41 C22A 101.5(19) . . ? C43A C41 C22A 86.6(13) . . ? S25 C41 C22A 85.6(11) . . ? C45 C41 C22A 93.9(13) . . ? C37 C41 C22A 92.7(10) . . ? S27A C41 C22A 99.9(9) . . ? S24 C41 C22A 99.2(8) . . ? O2 C41 C22A 97.8(8) . . ? S21B C41 C22A 158.2(9) 2_666 . ? C33A C41 C22A 158.2(9) 2_666 . ? C40 C41 C35 81.2(18) . 2_666 ? C43A C41 C35 82.1(12) . 2_666 ? S25 C41 C35 103.0(12) . 2_666 ? C45 C41 C35 75.8(12) . 2_666 ? C37 C41 C35 99.0(11) . 2_666 ? S27A C41 C35 76.1(8) . 2_666 ? S24 C41 C35 89.9(9) . 2_666 ? O2 C41 C35 78.9(8) . 2_666 ? S21B C41 C35 24.0(5) 2_666 2_666 ? C33A C41 C35 24.0(5) 2_666 2_666 ? C22A C41 C35 168.3(9) . 2_666 ? C40 C41 C24 81.0(19) . . ? C43A C41 C24 84.4(13) . . ? S25 C41 C24 106.8(12) . . ? C45 C41 C24 76.1(12) . . ? C37 C41 C24 100.3(11) . . ? S27A C41 C24 75.7(8) . . ? S24 C41 C24 90.5(9) . . ? O2 C41 C24 116.8(9) . . ? S21B C41 C24 170.9(10) 2_666 . ? C33A C41 C24 170.9(10) 2_666 . ? C22A C41 C24 24.1(6) . . ? C35 C41 C24 150.0(10) 2_666 . ? C42A C44 S26A 119.1(17) . . ? C42A C44 C38 42.7(10) . . ? S26A C44 C38 76.3(12) . . ? C42A C44 C39 74.6(12) . . ? S26A C44 C39 44.5(9) . . ? C38 C44 C39 31.9(9) . . ? C42A C44 O7 162.2(17) . 1_556 ? S26A C44 O7 75.3(10) . 1_556 ? C38 C44 O7 149.8(13) . 1_556 ? C39 C44 O7 119.2(12) . 1_556 ? C42A C44 O 66.1(11) . 1_556 ? S26A C44 O 165.6(17) . 1_556 ? C38 C44 O 107.3(12) . 1_556 ? C39 C44 O 137.5(13) . 1_556 ? O7 C44 O 102.8(10) 1_556 1_556 ? C42A C44 O8 119.7(13) . 1_556 ? S26A C44 O8 121.2(13) . 1_556 ? C38 C44 O8 162.4(12) . 1_556 ? C39 C44 O8 165.7(12) . 1_556 ? O7 C44 O8 46.8(7) 1_556 1_556 ? O C44 O8 56.2(8) 1_556 1_556 ? C42A C44 C20 76.6(13) . . ? S26A C44 C20 93.4(13) . . ? C38 C44 C20 76.9(11) . . ? C39 C44 C20 81.8(11) . . ? O7 C44 C20 114.9(10) 1_556 . ? O C44 C20 74.2(9) 1_556 . ? O8 C44 C20 101.7(11) 1_556 . ? C42A C44 C21 94.2(14) . . ? S26A C44 C21 75.4(12) . . ? C38 C44 C21 82.5(11) . . ? C39 C44 C21 75.9(10) . . ? O7 C44 C21 100.1(9) 1_556 . ? O C44 C21 91.1(9) 1_556 . ? O8 C44 C21 102.5(11) 1_556 . ? C20 C44 C21 20.6(5) . . ? C42A C44 C29 91.6(13) . 2_666 ? S26A C44 C29 72.2(11) . 2_666 ? C38 C44 C29 79.0(11) . 2_666 ? C39 C44 C29 73.0(10) . 2_666 ? O7 C44 C29 82.6(9) 1_556 2_666 ? O C44 C29 122.0(11) 1_556 2_666 ? O8 C44 C29 104.0(11) 1_556 2_666 ? C20 C44 C29 154.3(10) . 2_666 ? C21 C44 C29 145.5(9) . 2_666 ? C42A C44 C28 74.1(12) . 2_666 ? S26A C44 C28 90.8(12) . 2_666 ? C38 C44 C28 73.8(11) . 2_666 ? C39 C44 C28 79.5(10) . 2_666 ? O7 C44 C28 96.4(9) 1_556 2_666 ? O C44 C28 103.7(10) 1_556 2_666 ? O8 C44 C28 102.7(11) 1_556 2_666 ? C20 C44 C28 148.5(9) . 2_666 ? C21 C44 C28 154.8(9) . 2_666 ? C29 C44 C28 20.8(6) 2_666 2_666 ? C42A C44 C48 67.8(12) . 1_556 ? S26A C44 C48 169.4(17) . 1_556 ? C38 C44 C48 110.2(12) . 1_556 ? C39 C44 C48 141.7(13) . 1_556 ? O7 C44 C48 96.5(10) 1_556 1_556 ? O C44 C48 22.1(8) 1_556 1_556 ? O8 C44 C48 52.2(8) 1_556 1_556 ? C20 C44 C48 96.1(10) . 1_556 ? C21 C44 C48 113.2(10) . 1_556 ? C29 C44 C48 100.5(11) 2_666 1_556 ? C28 C44 C48 83.4(10) 2_666 1_556 ? C42A C44 H44A 107.5 . . ? S26A C44 H44A 107.5 . . ? C38 C44 H44A 123.7 . . ? C39 C44 H44A 123.6 . . ? O7 C44 H44A 75.3 1_556 . ? O C44 H44A 58.6 1_556 . ? O8 C44 H44A 55.7 1_556 . ? C20 C44 H44A 47.1 . . ? C21 C44 H44A 47.8 . . ? C29 C44 H44A 157.0 2_666 . ? C28 C44 H44A 156.8 2_666 . ? C48 C44 H44A 76.2 1_556 . ? C42A C44 H44B 107.6 . . ? S26A C44 H44B 107.6 . . ? C38 C44 H44B 125.7 . . ? C39 C44 H44B 126.5 . . ? O7 C44 H44B 55.7 1_556 . ? O C44 H44B 81.9 1_556 . ? O8 C44 H44B 51.3 1_556 . ? C20 C44 H44B 151.7 . . ? C21 C44 H44B 151.8 . . ? C29 C44 H44B 53.6 2_666 . ? C28 C44 H44B 52.3 2_666 . ? C48 C44 H44B 61.9 1_556 . ? H44A C44 H44B 107.0 . . ? C43A C45 S27A 118(2) . . ? C43A C45 C40 75.6(15) . . ? S27A C45 C40 42.1(10) . . ? C43A C45 C41 43.0(11) . . ? S27A C45 C41 74.7(14) . . ? C40 C45 C41 32.6(9) . . ? C43A C45 O1 73.5(14) . 2 ? S27A C45 O1 134.3(18) . 2 ? C40 C45 O1 123.0(16) . 2 ? C41 C45 O1 102.6(13) . 2 ? C43A C45 O6 159.4(19) . . ? S27A C45 O6 79.6(13) . . ? C40 C45 O6 120.8(14) . . ? C41 C45 O6 152.1(15) . . ? O1 C45 O6 103.1(11) 2 . ? C43A C45 O5 125.1(19) . . ? S27A C45 O5 70.8(12) . . ? C40 C45 O5 94.7(14) . . ? C41 C45 O5 112.6(15) . . ? O1 C45 O5 142.1(13) 2 . ? O6 C45 O5 46.9(7) . . ? C43A C45 C5 87.1(14) . 1_554 ? S27A C45 C5 154.9(16) . 1_554 ? C40 C45 C5 162.3(15) . 1_554 ? C41 C45 C5 130.0(13) . 1_554 ? O1 C45 C5 53.1(9) 2 1_554 ? O6 C45 C5 75.4(9) . 1_554 ? O5 C45 C5 92.2(10) . 1_554 ? C43A C45 C35 76.2(15) . 2_666 ? S27A C45 C35 79.8(13) . 2_666 ? C40 C45 C35 68.4(12) . 2_666 ? C41 C45 C35 67.4(12) . 2_666 ? O1 C45 C35 142.6(12) 2 2_666 ? O6 C45 C35 97.6(10) . 2_666 ? O5 C45 C35 50.8(8) . 2_666 ? C5 C45 C35 104.3(10) 1_554 2_666 ? C43A C45 H45A 107.9 . . ? S27A C45 H45A 107.9 . . ? C40 C45 H45A 124.3 . . ? C41 C45 H45A 124.0 . . ? O1 C45 H45A 35.7 2 . ? O6 C45 H45A 74.3 . . ? O5 C45 H45A 121.0 . . ? C5 C45 H45A 64.4 1_554 . ? C35 C45 H45A 167.2 2_666 . ? C43A C45 H45B 107.9 . . ? S27A C45 H45B 107.9 . . ? C40 C45 H45B 125.0 . . ? C41 C45 H45B 125.6 . . ? O1 C45 H45B 109.7 2 . ? O6 C45 H45B 53.4 . . ? O5 C45 H45B 37.1 . . ? C5 C45 H45B 56.7 1_554 . ? C35 C45 H45B 60.2 2_666 . ? H45A C45 H45B 107.2 . . ? C5 S3A C2 90.2(14) . . ? C5 S3A C3 62.6(12) . . ? C2 S3A C3 27.9(11) . . ? C5 S3A C4A 29.6(11) . . ? C2 S3A C4A 61.5(10) . . ? C3 S3A C4A 33.6(6) . . ? C5 S3A S1 117.6(11) . . ? C2 S3A S1 27.3(10) . . ? C3 S3A S1 55.2(6) . . ? C4A S3A S1 88.7(5) . . ? C5 S3A O3 68.5(11) . 1_556 ? C2 S3A O3 156.0(12) . 1_556 ? C3 S3A O3 130.6(8) . 1_556 ? C4A S3A O3 98.1(6) . 1_556 ? S1 S3A O3 167.4(6) . 1_556 ? C5 S3A S11 154.6(13) . 2_556 ? C2 S3A S11 89.7(10) . 2_556 ? C3 S3A S11 116.3(7) . 2_556 ? C4A S3A S11 146.5(5) . 2_556 ? S1 S3A S11 64.9(3) . 2_556 ? O3 S3A S11 104.7(5) 1_556 2_556 ? C5 S3A C22A 122.4(12) . 2_556 ? C2 S3A C22A 136.0(11) . 2_556 ? C3 S3A C22A 156.1(8) . 2_556 ? C4A S3A C22A 149.6(6) . 2_556 ? S1 S3A C22A 112.7(4) . 2_556 ? O3 S3A C22A 57.2(6) 1_556 2_556 ? S11 S3A C22A 47.8(4) 2_556 2_556 ? C5 S3A C10 74.7(13) . . ? C2 S3A C10 82.7(12) . . ? C3 S3A C10 80.1(8) . . ? C4A S3A C10 79.5(7) . . ? S1 S3A C10 89.9(5) . . ? O3 S3A C10 81.0(7) 1_556 . ? S11 S3A C10 80.1(5) 2_556 . ? C22A S3A C10 79.4(6) 2_556 . ? C5 S3A S25 138.8(12) . 2_556 ? C2 S3A S25 113.8(11) . 2_556 ? C3 S3A S25 132.3(7) . 2_556 ? C4A S3A S25 142.3(6) . 2_556 ? S1 S3A S25 91.0(3) . 2_556 ? O3 S3A S25 90.0(5) 1_556 2_556 ? S11 S3A S25 62.8(3) 2_556 2_556 ? C22A S3A S25 61.9(4) 2_556 2_556 ? C10 S3A S25 138.2(6) . 2_556 ? C3 C4A C5 95.7(18) . . ? C3 C4A C2 26.8(12) . . ? C5 C4A C2 69.1(14) . . ? C3 C4A S3A 63.8(12) . . ? C5 C4A S3A 32.8(12) . . ? C2 C4A S3A 37.0(7) . . ? C3 C4A S2 29.0(10) . . ? C5 C4A S2 124.6(14) . . ? C2 C4A S2 55.8(7) . . ? S3A C4A S2 92.7(6) . . ? C3 C4A O6 141.9(14) . 1_556 ? C5 C4A O6 118.3(15) . 1_556 ? C2 C4A O6 165.1(11) . 1_556 ? S3A C4A O6 150.9(8) . 1_556 ? S2 C4A O6 114.2(7) . 1_556 ? C3 C4A S15A 94.1(12) . . ? C5 C4A S15A 164.6(16) . . ? C2 C4A S15A 119.3(9) . . ? S3A C4A S15A 150.9(7) . . ? S2 C4A S15A 66.5(4) . . ? O6 C4A S15A 57.1(6) 1_556 . ? C3 C4A C11 83.9(13) . . ? C5 C4A C11 72.0(15) . . ? C2 C4A C11 79.3(10) . . ? S3A C4A C11 77.5(7) . . ? S2 C4A C11 91.3(7) . . ? O6 C4A C11 90.6(8) 1_556 . ? S15A C4A C11 121.0(7) . . ? C3 C4A O1 123.4(15) . 2_556 ? C5 C4A O1 56.2(14) . 2_556 ? C2 C4A O1 103.2(10) . 2_556 ? S3A C4A O1 73.3(6) . 2_556 ? S2 C4A O1 138.8(8) . 2_556 ? O6 C4A O1 91.4(7) 1_556 2_556 ? S15A C4A O1 108.3(6) . 2_556 ? C11 C4A O1 121.5(8) . 2_556 ? C3 C4A S7 69.4(12) . . ? C5 C4A S7 95.9(15) . . ? C2 C4A S7 76.7(8) . . ? S3A C4A S7 91.2(5) . . ? S2 C4A S7 67.7(4) . . ? O6 C4A S7 89.4(7) 1_556 . ? S15A C4A S7 98.7(5) . . ? C11 C4A S7 26.6(5) . . ? O1 C4A S7 148.2(7) 2_556 . ? C3 C4A O7 108.8(14) . 1_556 ? C5 C4A O7 115.4(16) . 1_556 ? C2 C4A O7 122.8(10) . 1_556 ? S3A C4A O7 131.0(8) . 1_556 ? S2 C4A O7 91.3(6) . 1_556 ? O6 C4A O7 42.9(6) 1_556 1_556 ? S15A C4A O7 72.2(5) . 1_556 ? C11 C4A O7 53.6(7) . 1_556 ? O1 C4A O7 127.3(7) 2_556 1_556 ? S7 C4A O7 46.4(4) . 1_556 ? C3 C4A H4A1 112.6 . . ? C5 C4A H4A1 112.6 . . ? C2 C4A H4A1 119.1 . . ? S3A C4A H4A1 116.4 . . ? S2 C4A H4A1 99.5 . . ? O6 C4A H4A1 71.4 1_556 . ? S15A C4A H4A1 52.3 . . ? C11 C4A H4A1 161.6 . . ? O1 C4A H4A1 57.1 2_556 . ? S7 C4A H4A1 150.6 . . ? O7 C4A H4A1 110.9 1_556 . ? C3 C4A H4A2 112.6 . . ? C5 C4A H4A2 112.6 . . ? C2 C4A H4A2 125.5 . . ? S3A C4A H4A2 130.5 . . ? S2 C4A H4A2 95.6 . . ? O6 C4A H4A2 40.7 1_556 . ? S15A C4A H4A2 74.1 . . ? C11 C4A H4A2 53.6 . . ? O1 C4A H4A2 123.2 2_556 . ? S7 C4A H4A2 48.8 . . ? O7 C4A H4A2 4.2 1_556 . ? H4A1 C4A H4A2 110.1 . . ? C14 S8A C9 92.7(14) . . ? C14 S8A C8 64.5(12) . . ? C9 S8A C8 28.2(10) . . ? C14 S8A C12A 31.5(10) . . ? C9 S8A C12A 61.2(10) . . ? C8 S8A C12A 33.1(7) . . ? C14 S8A S5 120.3(11) . . ? C9 S8A S5 27.7(9) . . ? C8 S8A S5 55.9(7) . . ? C12A S8A S5 88.9(5) . . ? C14 S8A O2 70.0(11) . . ? C9 S8A O2 162.4(11) . . ? C8 S8A O2 134.3(8) . . ? C12A S8A O2 101.3(6) . . ? S5 S8A O2 169.7(5) . . ? C14 S8A C10 78.5(13) . 2_656 ? C9 S8A C10 87.2(12) . 2_656 ? C8 S8A C10 82.5(8) . 2_656 ? C12A S8A C10 80.2(7) . 2_656 ? S5 S8A C10 91.0(6) . 2_656 ? O2 S8A C10 92.0(7) . 2_656 ? C14 S8A S25 121.5(11) . . ? C9 S8A S25 140.3(10) . . ? C8 S8A S25 160.0(8) . . ? C12A S8A S25 148.2(5) . . ? S5 S8A S25 115.7(3) . . ? O2 S8A S25 54.4(4) . . ? C10 S8A S25 116.9(6) 2_656 . ? C14 S8A S23 162.7(13) . . ? C9 S8A S23 89.5(10) . . ? C8 S8A S23 116.2(7) . . ? C12A S8A S23 145.5(5) . . ? S5 S8A S23 63.9(3) . . ? O2 S8A S23 106.1(5) . . ? C10 S8A S23 118.8(6) 2_656 . ? S25 S8A S23 51.8(2) . . ? C14 S8A C2 81.2(13) . 2_556 ? C9 S8A C2 85.0(12) . 2_556 ? C8 S8A C2 80.9(8) . 2_556 ? C12A S8A C2 77.9(6) . 2_556 ? S5 S8A C2 91.7(5) . 2_556 ? O2 S8A C2 89.2(7) . 2_556 ? C10 S8A C2 157.9(7) 2_656 2_556 ? S25 S8A C2 81.4(5) . 2_556 ? S23 S8A C2 81.9(5) . 2_556 ? C14 S8A C13A 79.2(12) . 2_656 ? C9 S8A C13A 111.8(11) . 2_656 ? C8 S8A C13A 104.7(8) . 2_656 ? C12A S8A C13A 93.3(5) . 2_656 ? S5 S8A C13A 112.1(4) . 2_656 ? O2 S8A C13A 69.0(5) . 2_656 ? C10 S8A C13A 24.6(5) 2_656 2_656 ? S25 S8A C13A 95.3(4) . 2_656 ? S23 S8A C13A 115.8(4) . 2_656 ? C2 S8A C13A 154.6(6) 2_556 2_656 ? C8 C12A C14 98.4(18) . . ? C8 C12A C9 27.1(12) . . ? C14 C12A C9 71.3(13) . . ? C8 C12A S8A 65.2(12) . . ? C14 C12A S8A 33.2(11) . . ? C9 C12A S8A 38.1(7) . . ? C8 C12A S4 29.0(11) . . ? C14 C12A S4 127.3(14) . . ? C9 C12A S4 56.2(7) . . ? S8A C12A S4 94.2(6) . . ? C8 C12A C46 173.2(16) . 1_545 ? C14 C12A C46 88.4(14) . 1_545 ? C9 C12A C46 159.5(12) . 1_545 ? S8A C12A C46 121.5(9) . 1_545 ? S4 C12A C46 144.3(9) . 1_545 ? C8 C12A C3 88.7(14) . 2_556 ? C14 C12A C3 81.7(15) . 2_556 ? C9 C12A C3 83.2(9) . 2_556 ? S8A C12A C3 79.3(6) . 2_556 ? S4 C12A C3 95.0(6) . 2_556 ? C46 C12A C3 91.8(10) 1_545 2_556 ? C8 C12A C47 153.1(16) . 1_545 ? C14 C12A C47 101.4(14) . 1_545 ? C9 C12A C47 162.4(12) . 1_545 ? S8A C12A C47 133.3(9) . 1_545 ? S4 C12A C47 127.5(9) . 1_545 ? C46 C12A C47 22.9(9) 1_545 1_545 ? C3 C12A C47 112.1(9) 2_556 1_545 ? C8 C12A C11 87.5(14) . 2_656 ? C14 C12A C11 75.6(15) . 2_656 ? C9 C12A C11 82.7(10) . 2_656 ? S8A C12A C11 77.7(7) . 2_656 ? S4 C12A C11 93.1(7) . 2_656 ? C46 C12A C11 94.7(10) 1_545 2_656 ? C3 C12A C11 156.1(8) 2_556 2_656 ? C47 C12A C11 79.9(9) 1_545 2_656 ? C8 C12A S20A 92.6(13) . 1_545 ? C14 C12A S20A 154.5(15) . 1_545 ? C9 C12A S20A 118.0(9) . 1_545 ? S8A C12A S20A 150.2(7) . 1_545 ? S4 C12A S20A 65.2(4) . 1_545 ? C46 C12A S20A 81.5(8) 1_545 1_545 ? C3 C12A S20A 121.8(7) 2_556 1_545 ? C47 C12A S20A 62.3(8) 1_545 1_545 ? C11 C12A S20A 81.9(6) 2_656 1_545 ? C8 C12A H12A 112.1 . . ? C14 C12A H12A 112.1 . . ? C9 C12A H12A 120.6 . . ? S8A C12A H12A 121.3 . . ? S4 C12A H12A 98.4 . . ? C46 C12A H12A 64.4 1_545 . ? C3 C12A H12A 42.7 2_556 . ? C47 C12A H12A 76.9 1_545 . ? C11 C12A H12A 156.6 2_656 . ? S20A C12A H12A 84.5 1_545 . ? C8 C12A H12B 112.1 . . ? C14 C12A H12B 112.1 . . ? C9 C12A H12B 123.9 . . ? S8A C12A H12B 125.9 . . ? S4 C12A H12B 95.2 . . ? C46 C12A H12B 65.3 1_545 . ? C3 C12A H12B 151.9 2_556 . ? C47 C12A H12B 42.9 1_545 . ? C11 C12A H12B 48.6 2_656 . ? S20A C12A H12B 42.5 1_545 . ? H12A C12A H12B 109.7 . . ? C11 S9A C15 91.6(17) . . ? C11 S9A C10 28.7(12) . . ? C15 S9A C10 63.3(13) . . ? C11 S9A C13A 62.6(11) . . ? C15 S9A C13A 29.9(11) . . ? C10 S9A C13A 33.9(7) . . ? C11 S9A S7 27.0(11) . . ? C15 S9A S7 118.6(13) . . ? C10 S9A S7 55.6(7) . . ? C13A S9A S7 89.5(5) . . ? C11 S9A O7 84.9(12) . 1_556 ? C15 S9A O7 160.7(15) . 1_556 ? C10 S9A O7 113.1(9) . 1_556 ? C13A S9A O7 145.5(7) . 1_556 ? S7 S9A O7 58.8(5) . 1_556 ? C11 S9A O5 135.0(13) . 1_556 ? C15 S9A O5 126.8(13) . 1_556 ? C10 S9A O5 159.9(10) . 1_556 ? C13A S9A O5 155.4(7) . 1_556 ? S7 S9A O5 109.7(6) . 1_556 ? O7 S9A O5 50.9(7) 1_556 1_556 ? C11 S9A Re2 108.3(12) . 1_556 ? C15 S9A Re2 144.0(13) . 1_556 ? C10 S9A Re2 134.4(8) . 1_556 ? C13A S9A Re2 156.7(6) . 1_556 ? S7 S9A Re2 83.8(3) . 1_556 ? O7 S9A Re2 26.0(4) 1_556 1_556 ? O5 S9A Re2 26.7(5) 1_556 1_556 ? C11 S9A C5 69.2(13) . . ? C15 S9A C5 74.4(14) . . ? C10 S9A C5 67.8(9) . . ? C13A S9A C5 71.9(6) . . ? S7 S9A C5 77.2(6) . . ? O7 S9A C5 86.7(7) 1_556 . ? O5 S9A C5 96.8(8) 1_556 . ? Re2 S9A C5 84.9(5) 1_556 . ? C11 S9A C47 117.7(14) . 2_666 ? C15 S9A C47 129.7(15) . 2_666 ? C10 S9A C47 132.2(10) . 2_666 ? C13A S9A C47 136.2(9) . 2_666 ? S7 S9A C47 98.0(7) . 2_666 ? O7 S9A C47 67.7(8) 1_556 2_666 ? O5 S9A C47 58.1(9) 1_556 2_666 ? Re2 S9A C47 67.0(7) 1_556 2_666 ? C5 S9A C47 151.8(9) . 2_666 ? C11 S9A C14 72.3(13) . 2_656 ? C15 S9A C14 83.8(13) . 2_656 ? C10 S9A C14 66.8(9) . 2_656 ? C13A S9A C14 69.6(6) . 2_656 ? S7 S9A C14 79.3(5) . 2_656 ? O7 S9A C14 112.9(7) 1_556 2_656 ? O5 S9A C14 127.6(8) 1_556 2_656 ? Re2 S9A C14 130.3(5) 1_556 2_656 ? C5 S9A C14 134.6(7) . 2_656 ? C47 S9A C14 69.6(8) 2_666 2_656 ? C11 S9A C35 170.0(13) . 2_667 ? C15 S9A C35 78.8(12) . 2_667 ? C10 S9A C35 142.1(8) . 2_667 ? C13A S9A C35 108.3(6) . 2_667 ? S7 S9A C35 161.9(6) . 2_667 ? O7 S9A C35 103.2(6) 1_556 2_667 ? O5 S9A C35 52.4(6) 1_556 2_667 ? Re2 S9A C35 78.6(4) 1_556 2_667 ? C5 S9A C35 105.0(7) . 2_667 ? C47 S9A C35 71.4(8) 2_666 2_667 ? C14 S9A C35 109.1(7) 2_656 2_667 ? C10 C13A C15 95.9(18) . . ? C10 C13A C11 28.7(13) . . ? C15 C13A C11 67.2(15) . . ? C10 C13A S9A 64.1(12) . . ? C15 C13A S9A 32.5(13) . . ? C11 C13A S9A 35.4(7) . . ? C10 C13A S6 28.0(11) . . ? C15 C13A S6 123.6(14) . . ? C11 C13A S6 56.7(8) . . ? S9A C13A S6 92.1(5) . . ? C10 C13A S19 94.6(12) . 1_545 ? C15 C13A S19 163.3(16) . 1_545 ? C11 C13A S19 121.7(9) . 1_545 ? S9A C13A S19 151.4(6) . 1_545 ? S6 C13A S19 68.5(4) . 1_545 ? C10 C13A O4 161.0(16) . 1_556 ? C15 C13A O4 80.3(14) . 1_556 ? C11 C13A O4 143.9(10) . 1_556 ? S9A C13A O4 112.5(7) . 1_556 ? S6 C13A O4 148.1(8) . 1_556 ? S19 C13A O4 93.8(6) 1_545 1_556 ? C10 C13A C33A 141.4(14) . 1_545 ? C15 C13A C33A 119.2(15) . 1_545 ? C11 C13A C33A 161.5(10) . 1_545 ? S9A C13A C33A 145.5(7) . 1_545 ? S6 C13A C33A 116.2(6) . 1_545 ? S19 C13A C33A 47.7(4) 1_545 1_545 ? O4 C13A C33A 51.8(6) 1_556 1_545 ? C10 C13A O3 117.4(15) . 1_556 ? C15 C13A O3 70.1(15) . 1_556 ? C11 C13A O3 107.3(9) . 1_556 ? S9A C13A O3 91.6(6) . 1_556 ? S6 C13A O3 119.3(7) . 1_556 ? S19 C13A O3 115.9(6) 1_545 1_556 ? O4 C13A O3 43.8(6) 1_556 1_556 ? C33A C13A O3 91.1(7) 1_545 1_556 ? C10 C13A S8A 70.2(13) . 2_656 ? C15 C13A S8A 108.1(15) . 2_656 ? C11 C13A S8A 78.4(8) . 2_656 ? S9A C13A S8A 90.2(5) . 2_656 ? S6 C13A S8A 68.2(4) . 2_656 ? S19 C13A S8A 63.6(3) 1_545 2_656 ? O4 C13A S8A 128.7(7) 1_556 2_656 ? C33A C13A S8A 83.1(5) 1_545 2_656 ? O3 C13A S8A 172.2(6) 1_556 2_656 ? C10 C13A H13A 112.5 . . ? C15 C13A H13A 112.6 . . ? C11 C13A H13A 120.4 . . ? S9A C13A H13A 117.3 . . ? S6 C13A H13A 101.1 . . ? S19 C13A H13A 51.1 1_545 . ? O4 C13A H13A 85.9 1_556 . ? C33A C13A H13A 41.5 1_545 . ? O3 C13A H13A 129.5 1_556 . ? S8A C13A H13A 43.5 2_656 . ? C10 C13A H13B 112.6 . . ? C15 C13A H13B 112.6 . . ? C11 C13A H13B 125.1 . . ? S9A C13A H13B 129.5 . . ? S6 C13A H13B 95.1 . . ? S19 C13A H13B 74.9 1_545 . ? O4 C13A H13B 53.7 1_556 . ? C33A C13A H13B 70.3 1_545 . ? O3 C13A H13B 42.4 1_556 . ? S8A C13A H13B 138.5 2_656 . ? H13A C13A H13B 110.1 . . ? C18 S14A C24 88.0(13) . . ? C18 S14A C19 24.9(10) . . ? C24 S14A C19 63.2(12) . . ? C18 S14A C22A 59.4(9) . . ? C24 S14A C22A 28.7(11) . . ? C19 S14A C22A 34.6(6) . . ? C18 S14A S10 29.6(8) . . ? C24 S14A S10 117.6(11) . . ? C19 S14A S10 54.4(6) . . ? C22A S14A S10 89.0(5) . . ? C18 S14A S22 94.9(9) . 2_566 ? C24 S14A S22 159.5(13) . 2_566 ? C19 S14A S22 118.6(6) . 2_566 ? C22A S14A S22 149.9(5) . 2_566 ? S10 S14A S22 67.1(3) . 2_566 ? C18 S14A C42A 143.0(9) . 2_566 ? C24 S14A C42A 122.7(11) . 2_566 ? C19 S14A C42A 161.7(7) . 2_566 ? C22A S14A C42A 149.8(6) . 2_566 ? S10 S14A C42A 116.1(4) . 2_566 ? S22 S14A C42A 49.0(3) 2_566 2_566 ? C18 S14A C40 86.1(11) . . ? C24 S14A C40 82.4(13) . . ? C19 S14A C40 81.6(8) . . ? C22A S14A C40 78.2(7) . . ? S10 S14A C40 90.6(5) . . ? S22 S14A C40 118.1(5) 2_566 . ? C42A S14A C40 115.7(6) 2_566 . ? C18 S14A C30 83.8(11) . 2_566 ? C24 S14A C30 74.3(13) . 2_566 ? C19 S14A C30 79.6(8) . 2_566 ? C22A S14A C30 76.8(6) . 2_566 ? S10 S14A C30 91.9(5) . 2_566 ? S22 S14A C30 85.7(4) 2_566 2_566 ? C42A S14A C30 85.5(5) 2_566 2_566 ? C40 S14A C30 154.8(6) . 2_566 ? C18 S14A S27A 111.0(10) . . ? C24 S14A S27A 82.9(12) . . ? C19 S14A S27A 103.9(7) . . ? C22A S14A S27A 90.6(5) . . ? S10 S14A S27A 112.6(4) . . ? S22 S14A S27A 114.7(3) 2_566 . ? C42A S14A S27A 94.3(4) 2_566 . ? C40 S14A S27A 24.9(4) . . ? C30 S14A S27A 152.5(5) 2_566 . ? C18 S14A S24 71.4(10) . . ? C24 S14A S24 104.1(12) . . ? C19 S14A S24 77.9(7) . . ? C22A S14A S24 90.3(5) . . ? S10 S14A S24 66.5(3) . . ? S22 S14A S24 96.0(3) 2_566 . ? C42A S14A S24 114.3(4) 2_566 . ? C40 S14A S24 27.0(4) . . ? C30 S14A S24 155.1(5) 2_566 . ? S27A S14A S24 46.1(2) . . ? C24 C22A C19 97.9(18) . . ? C24 C22A C18 68.4(14) . . ? C19 C22A C18 29.6(11) . . ? C24 C22A S14A 32.6(12) . . ? C19 C22A S14A 65.6(12) . . ? C18 C22A S14A 36.0(6) . . ? C24 C22A S11 125.8(15) . . ? C19 C22A S11 27.8(10) . . ? C18 C22A S11 57.5(7) . . ? S14A C22A S11 93.4(6) . . ? C24 C22A O3 112.4(15) . 2 ? C19 C22A O3 147.9(15) . 2 ? C18 C22A O3 167.9(12) . 2 ? S14A C22A O3 142.6(8) . 2 ? S11 C22A O3 121.1(8) . 2 ? C24 C22A O4 81.6(15) . 2 ? C19 C22A O4 157.4(16) . 2 ? C18 C22A O4 143.7(11) . 2 ? S14A C22A O4 112.9(8) . 2 ? S11 C22A O4 145.1(9) . 2 ? O3 C22A O4 45.2(6) 2 2 ? C24 C22A C41 83.0(17) . . ? C19 C22A C41 86.9(14) . . ? C18 C22A C41 81.6(9) . . ? S14A C22A C41 78.0(7) . . ? S11 C22A C41 91.5(7) . . ? O3 C22A C41 86.5(8) 2 . ? O4 C22A C41 115.4(8) 2 . ? C24 C22A S3A 161.2(17) . 2_556 ? C19 C22A S3A 91.0(12) . 2_556 ? C18 C22A S3A 118.6(9) . 2_556 ? S14A C22A S3A 149.1(8) . 2_556 ? S11 C22A S3A 64.7(4) . 2_556 ? O3 C22A S3A 56.9(5) 2 2_556 ? O4 C22A S3A 96.4(7) 2 2_556 ? C41 C22A S3A 81.0(6) . 2_556 ? C24 C22A C31 76.6(16) . 2_566 ? C19 C22A C31 87.1(14) . 2_566 ? C18 C22A C31 82.6(9) . 2_566 ? S14A C22A C31 80.0(7) . 2_566 ? S11 C22A C31 93.2(7) . 2_566 ? O3 C22A C31 109.5(9) 2 2_566 ? O4 C22A C31 70.7(7) 2 2_566 ? C41 C22A C31 157.8(8) . 2_566 ? S3A C22A C31 120.5(8) 2_556 2_566 ? C24 C22A Re1 87.5(14) . 2 ? C19 C22A Re1 174.3(14) . 2 ? C18 C22A Re1 155.6(9) . 2 ? S14A C22A Re1 119.7(6) . 2 ? S11 C22A Re1 146.7(7) . 2 ? O3 C22A Re1 26.5(4) 2 2 ? O4 C22A Re1 25.0(5) 2 2 ? C41 C22A Re1 92.3(6) . 2 ? S3A C22A Re1 83.3(4) 2_556 2 ? C31 C22A Re1 95.7(6) 2_566 2 ? C24 C22A O1 68.8(14) . 2 ? C19 C22A O1 156.8(16) . 2 ? C18 C22A O1 132.1(10) . 2 ? S14A C22A O1 98.2(7) . 2 ? S11 C22A O1 158.0(8) . 2 ? O3 C22A O1 44.4(6) 2 2 ? O4 C22A O1 43.0(6) 2 2 ? C41 C22A O1 73.0(7) . 2 ? S3A C22A O1 96.9(6) 2_556 2 ? C31 C22A O1 107.1(8) 2_566 2 ? Re1 C22A O1 25.8(4) 2 2 ? C24 C22A H22A 112.2 . . ? C19 C22A H22A 112.2 . . ? C18 C22A H22A 120.9 . . ? S14A C22A H22A 119.7 . . ? S11 C22A H22A 98.2 . . ? O3 C22A H22A 47.1 2 . ? O4 C22A H22A 88.5 2 . ? C41 C22A H22A 42.9 . . ? S3A C22A H22A 49.0 2_556 . ? C31 C22A H22A 156.4 2_566 . ? Re1 C22A H22A 63.9 2 . ? O1 C22A H22A 59.9 2 . ? C24 C22A H22B 112.2 . . ? C19 C22A H22B 112.2 . . ? C18 C22A H22B 124.7 . . ? S14A C22A H22B 127.2 . . ? S11 C22A H22B 96.9 . . ? O3 C22A H22B 66.8 2 . ? O4 C22A H22B 49.1 2 . ? C41 C22A H22B 152.5 . . ? S3A C22A H22B 79.1 2_556 . ? C31 C22A H22B 47.9 2_566 . ? Re1 C22A H22B 66.8 2 . ? O1 C22A H22B 90.8 2 . ? H22A C22A H22B 109.8 . . ? C21 S15A C25 92.0(12) . . ? C21 S15A C20 26.8(9) . . ? C25 S15A C20 65.3(10) . . ? C21 S15A C23A 60.2(9) . . ? C25 S15A C23A 31.8(9) . . ? C20 S15A C23A 33.5(7) . . ? C21 S15A S13 27.3(8) . . ? C25 S15A S13 119.3(9) . . ? C20 S15A S13 54.0(6) . . ? C23A S15A S13 87.5(5) . . ? C21 S15A O6 144.0(11) . 1_556 ? C25 S15A O6 71.0(11) . 1_556 ? C20 S15A O6 124.9(9) . 1_556 ? C23A S15A O6 97.4(8) . 1_556 ? S13 S15A O6 149.3(6) . 1_556 ? C21 S15A C4A 138.0(9) . . ? C25 S15A C4A 126.0(10) . . ? C20 S15A C4A 158.5(7) . . ? C23A S15A C4A 153.4(7) . . ? S13 S15A C4A 112.4(4) . . ? O6 S15A C4A 56.4(6) 1_556 . ? C21 S15A S2 91.3(8) . . ? C25 S15A S2 162.8(11) . . ? C20 S15A S2 116.2(6) . . ? C23A S15A S2 146.4(6) . . ? S13 S15A S2 65.5(3) . . ? O6 S15A S2 96.8(6) 1_556 . ? C4A S15A S2 47.0(3) . . ? C21 S15A C46 142.5(12) . 2_566 ? C25 S15A C46 84.2(12) . 2_566 ? C20 S15A C46 134.1(9) . 2_566 ? C23A S15A C46 110.4(9) . 2_566 ? S13 S15A C46 137.1(8) . 2_566 ? O6 S15A C46 69.1(9) 1_556 2_566 ? C4A S15A C46 67.4(8) . 2_566 ? S2 S15A C46 103.1(7) . 2_566 ? C25 C23A C20 103.9(19) . . ? C25 C23A C21 74.2(14) . . ? C20 C23A C21 29.7(11) . . ? C25 C23A S15A 36.5(11) . . ? C20 C23A S15A 67.4(13) . . ? C21 C23A S15A 37.7(6) . . ? C25 C23A S12 131.7(15) . . ? C20 C23A S12 27.8(11) . . ? C21 C23A S12 57.4(7) . . ? S15A C23A S12 95.2(7) . . ? C25 C23A O 98.7(16) . 1_556 ? C20 C23A O 119.3(17) . 1_556 ? C21 C23A O 124.8(12) . 1_556 ? S15A C23A O 115.4(10) . 1_556 ? S12 C23A O 107.8(9) . 1_556 ? C25 C23A O6 106.1(15) . 2_566 ? C20 C23A O6 142.8(16) . 2_566 ? C21 C23A O6 158.0(13) . 2_566 ? S15A C23A O6 139.3(10) . 2_566 ? S12 C23A O6 118.6(9) . 2_566 ? O C23A O6 77.2(8) 1_556 2_566 ? C25 C23A O8 81.0(15) . 2_566 ? C20 C23A O8 123.2(18) . 2_566 ? C21 C23A O8 117.0(12) . 2_566 ? S15A C23A O8 101.6(8) . 2_566 ? S12 C23A O8 119.6(10) . 2_566 ? O C23A O8 115.6(10) 1_556 2_566 ? O6 C23A O8 43.3(7) 2_566 2_566 ? C25 C23A S27A 161.2(16) . 2_566 ? C20 C23A S27A 90.5(13) . 2_566 ? C21 C23A S27A 119.3(10) . 2_566 ? S15A C23A S27A 155.4(9) . 2_566 ? S12 C23A S27A 63.4(5) . 2_566 ? O C23A S27A 84.2(8) 1_556 2_566 ? O6 C23A S27A 56.2(6) 2_566 2_566 ? O8 C23A S27A 81.1(7) 2_566 2_566 ? C25 C23A C49 116.4(17) . 1_556 ? C20 C23A C49 122.1(17) . 1_556 ? C21 C23A C49 139.4(13) . 1_556 ? S15A C23A C49 137.6(11) . 1_556 ? S12 C23A C49 101.4(9) . 1_556 ? O C23A C49 22.1(7) 1_556 1_556 ? O6 C23A C49 60.9(9) 2_566 1_556 ? O8 C23A C49 103.5(10) 2_566 1_556 ? S27A C23A C49 63.0(8) 2_566 1_556 ? C25 C23A C34 81.5(16) . 2_566 ? C20 C23A C34 75.0(15) . 2_566 ? C21 C23A C34 69.9(10) . 2_566 ? S15A C23A C34 73.5(8) . 2_566 ? S12 C23A C34 82.4(8) . 2_566 ? O C23A C34 164.9(10) 1_556 2_566 ? O6 C23A C34 88.2(8) 2_566 2_566 ? O8 C23A C34 49.4(8) 2_566 2_566 ? S27A C23A C34 91.0(7) 2_566 2_566 ? C49 C23A C34 147.0(10) 1_556 2_566 ? C25 C23A C32A 105.3(16) . 2_566 ? C20 C23A C32A 72.6(14) . 2_566 ? C21 C23A C32A 80.1(9) . 2_566 ? S15A C23A C32A 94.8(8) . 2_566 ? S12 C23A C32A 68.9(6) . 2_566 ? O C23A C32A 149.7(9) 1_556 2_566 ? O6 C23A C32A 78.6(7) 2_566 2_566 ? O8 C23A C32A 52.3(7) 2_566 2_566 ? S27A C23A C32A 67.2(5) 2_566 2_566 ? C49 C23A C32A 127.6(9) 1_556 2_566 ? C34 C23A C32A 24.1(5) 2_566 2_566 ? C25 C23A H23A 111.0 . . ? C20 C23A H23A 111.0 . . ? C21 C23A H23A 123.2 . . ? S15A C23A H23A 123.2 . . ? S12 C23A H23A 96.1 . . ? O C23A H23A 12.9 1_556 . ? O6 C23A H23A 77.8 2_566 . ? O8 C23A H23A 119.7 2_566 . ? S27A C23A H23A 73.7 2_566 . ? C49 C23A H23A 17.1 1_556 . ? C34 C23A H23A 163.3 2_566 . ? C32A C23A H23A 140.8 2_566 . ? C25 C23A H23B 110.9 . . ? C20 C23A H23B 110.9 . . ? C21 C23A H23B 121.8 . . ? S15A C23A H23B 124.9 . . ? S12 C23A H23B 95.8 . . ? O C23A H23B 111.9 1_556 . ? O6 C23A H23B 36.7 2_566 . ? O8 C23A H23B 30.1 2_566 . ? S27A C23A H23B 51.6 2_566 . ? C49 C23A H23B 92.1 1_556 . ? C34 C23A H23B 54.9 2_566 . ? C32A C23A H23B 41.9 2_566 . ? H23A C23A H23B 109.0 . . ? C29 S20A C34 92.1(16) . . ? C29 S20A C28 28.3(12) . . ? C34 S20A C28 63.8(12) . . ? C29 S20A C32A 63.1(11) . . ? C34 S20A C32A 29.1(11) . . ? C28 S20A C32A 34.8(6) . . ? C29 S20A S17 27.1(11) . . ? C34 S20A S17 119.2(12) . . ? C28 S20A S17 55.4(6) . . ? C32A S20A S17 90.2(4) . . ? C29 S20A O7 125.8(14) . 2_665 ? C34 S20A O7 88.8(13) . 2_665 ? C28 S20A O7 119.6(8) . 2_665 ? C32A S20A O7 103.1(6) . 2_665 ? S17 S20A O7 121.6(6) . 2_665 ? C29 S20A S4 90.6(11) . 1_565 ? C34 S20A S4 156.9(14) . 1_565 ? C28 S20A S4 117.1(7) . 1_565 ? C32A S20A S4 147.5(5) . 1_565 ? S17 S20A S4 65.6(3) . 1_565 ? O7 S20A S4 108.0(5) 2_665 1_565 ? C29 S20A C21 82.8(13) . 2_566 ? C34 S20A C21 77.0(13) . 2_566 ? C28 S20A C21 78.8(8) . 2_566 ? C32A S20A C21 77.6(6) . 2_566 ? S17 S20A C21 89.3(5) . 2_566 ? O7 S20A C21 148.9(6) 2_665 2_566 ? S4 S20A C21 80.5(5) 1_565 2_566 ? C29 S20A S26A 73.4(13) . 2_666 ? C34 S20A S26A 103.8(13) . 2_666 ? C28 S20A S26A 80.2(7) . 2_666 ? C32A S20A S26A 91.6(5) . 2_666 ? S17 S20A S26A 69.3(4) . 2_666 ? O7 S20A S26A 54.1(5) 2_665 2_666 ? S4 S20A S26A 99.0(4) 1_565 2_666 ? C21 S20A S26A 156.1(5) 2_566 2_666 ? C29 S20A C12A 134.2(12) . 1_565 ? C34 S20A C12A 123.6(12) . 1_565 ? C28 S20A C12A 154.1(8) . 1_565 ? C32A S20A C12A 148.4(6) . 1_565 ? S17 S20A C12A 110.8(4) . 1_565 ? O7 S20A C12A 86.2(5) 2_665 1_565 ? S4 S20A C12A 45.2(3) 1_565 1_565 ? C21 S20A C12A 79.2(5) 2_566 1_565 ? S26A S20A C12A 117.5(5) 2_666 1_565 ? C34 C32A C28 95.0(16) . . ? C34 C32A C29 66.6(13) . . ? C28 C32A C29 28.5(11) . . ? C34 C32A S20A 31.4(11) . . ? C28 C32A S20A 63.8(11) . . ? C29 C32A S20A 35.3(7) . . ? C34 C32A S16 122.0(13) . . ? C28 C32A S16 27.0(10) . . ? C29 C32A S16 55.5(7) . . ? S20A C32A S16 90.8(5) . . ? C34 C32A O5 117.1(13) . . ? C28 C32A O5 147.8(13) . . ? C29 C32A O5 176.3(10) . . ? S20A C32A O5 148.4(7) . . ? S16 C32A O5 120.8(7) . . ? C34 C32A O8 68.9(12) . . ? C28 C32A O8 161.3(13) . . ? C29 C32A O8 134.8(9) . . ? S20A C32A O8 100.3(6) . . ? S16 C32A O8 165.5(8) . . ? O5 C32A O8 48.9(7) . . ? C34 C32A S21A 165.6(15) . 2_666 ? C28 C32A S21A 91.1(11) . 2_666 ? C29 C32A S21A 118.4(8) . 2_666 ? S20A C32A S21A 150.4(6) . 2_666 ? S16 C32A S21A 65.1(3) . 2_666 ? O5 C32A S21A 58.0(6) . 2_666 ? O8 C32A S21A 106.7(6) . 2_666 ? C34 C32A C20 78.1(15) . 2_566 ? C28 C32A C20 83.2(12) . 2_566 ? C29 C32A C20 79.5(9) . 2_566 ? S20A C32A C20 78.6(6) . 2_566 ? S16 C32A C20 88.9(5) . 2_566 ? O5 C32A C20 101.3(8) . 2_566 ? O8 C32A C20 84.1(9) . 2_566 ? S21A C32A C20 115.6(6) 2_666 2_566 ? C34 C32A C23A 76.1(15) . 2_566 ? C28 C32A C23A 107.0(12) . 2_566 ? C29 C32A C23A 100.3(9) . 2_566 ? S20A C32A C23A 89.1(6) . 2_566 ? S16 C32A C23A 110.2(6) . 2_566 ? O5 C32A C23A 81.3(7) . 2_566 ? O8 C32A C23A 60.9(9) . 2_566 ? S21A C32A C23A 114.5(6) 2_666 2_566 ? C20 C32A C23A 23.8(5) 2_566 2_566 ? C34 C32A H32A 112.7 . . ? C28 C32A H32A 112.7 . . ? C29 C32A H32A 121.3 . . ? S20A C32A H32A 120.4 . . ? S16 C32A H32A 99.5 . . ? O5 C32A H32A 57.7 . . ? O8 C32A H32A 83.2 . . ? S21A C32A H32A 52.9 2_666 . ? C20 C32A H32A 158.8 2_566 . ? C23A C32A H32A 137.9 2_566 . ? C34 C32A H32B 112.7 . . ? C28 C32A H32B 112.7 . . ? C29 C32A H32B 124.2 . . ? S20A C32A H32B 126.2 . . ? S16 C32A H32B 98.2 . . ? O5 C32A H32B 55.3 . . ? O8 C32A H32B 67.7 . . ? S21A C32A H32B 76.4 2_666 . ? C20 C32A H32B 48.9 2_566 . ? C23A C32A H32B 38.2 2_566 . ? H32A C32A H32B 110.2 . . ? C30 S21A C35 90.1(12) . . ? C30 S21A C31 27.0(10) . . ? C35 S21A C31 63.1(10) . . ? C30 S21A C33A 59.6(9) . . ? C35 S21A C33A 30.6(9) . . ? C31 S21A C33A 32.5(7) . . ? C30 S21A S18 28.2(8) . . ? C35 S21A S18 118.3(9) . . ? C31 S21A S18 55.2(6) . . ? C33A S21A S18 87.7(5) . . ? C30 S21A O5 154.6(11) . 2_666 ? C35 S21A O5 69.2(10) . 2_666 ? C31 S21A O5 130.4(9) . 2_666 ? C33A S21A O5 99.0(7) . 2_666 ? S18 S21A O5 164.8(6) . 2_666 ? C30 S21A S16 90.8(9) . 2_666 ? C35 S21A S16 161.7(11) . 2_666 ? C31 S21A S16 116.7(7) . 2_666 ? C33A S21A S16 146.2(5) . 2_666 ? S18 S21A S16 64.3(2) . 2_666 ? O5 S21A S16 104.3(5) 2_666 2_666 ? C30 S21A C32A 139.7(9) . 2_666 ? C35 S21A C32A 125.5(9) . 2_666 ? C31 S21A C32A 161.6(7) . 2_666 ? C33A S21A C32A 153.3(6) . 2_666 ? S18 S21A C32A 113.6(3) . 2_666 ? O5 S21A C32A 56.6(5) 2_666 2_666 ? S16 S21A C32A 49.3(3) 2_666 2_666 ? C30 S21A C40 83.8(11) . 2_666 ? C35 S21A C40 77.0(11) . 2_666 ? C31 S21A C40 79.4(8) . 2_666 ? C33A S21A C40 76.4(7) . 2_666 ? S18 S21A C40 91.1(5) . 2_666 ? O5 S21A C40 77.5(7) 2_666 2_666 ? S16 S21A C40 84.9(5) 2_666 2_666 ? C32A S21A C40 86.8(5) 2_666 2_666 ? C31 C33A C35 104(2) . . ? C31 C33A C30 29.0(13) . . ? C35 C33A C30 75.1(14) . . ? C31 C33A S21A 67.5(13) . . ? C35 C33A S21A 36.7(11) . . ? C30 C33A S21A 38.4(7) . . ? C31 C33A S19 28.6(12) . . ? C35 C33A S19 132.7(15) . . ? C30 C33A S19 57.6(8) . . ? S21A C33A S19 96.0(7) . . ? C31 C33A O4 129.0(18) . 1_566 ? C35 C33A O4 92.2(16) . 1_566 ? C30 C33A O4 130.5(13) . 1_566 ? S21A C33A O4 114.6(10) . 1_566 ? S19 C33A O4 117.6(10) . 1_566 ? C31 C33A O2 115.4(17) . 2_666 ? C35 C33A O2 120.3(17) . 2_666 ? C30 C33A O2 132.6(11) . 2_666 ? S21A C33A O2 138.7(10) . 2_666 ? S19 C33A O2 94.0(7) . 2_666 ? O4 C33A O2 95.4(9) 1_566 2_666 ? C31 C33A C13A 90.3(14) . 1_565 ? C35 C33A C13A 154.9(17) . 1_565 ? C30 C33A C13A 117.4(10) . 1_565 ? S21A C33A C13A 149.6(9) . 1_565 ? S19 C33A C13A 63.9(5) . 1_565 ? O4 C33A C13A 62.9(8) 1_566 1_565 ? O2 C33A C13A 68.9(6) 2_666 1_565 ? C31 C33A C41 88.8(16) . 2_666 ? C35 C33A C41 81.0(16) . 2_666 ? C30 C33A C41 84.1(10) . 2_666 ? S21A C33A C41 81.3(7) . 2_666 ? S19 C33A C41 93.1(7) . 2_666 ? O4 C33A C41 141.9(10) 1_566 2_666 ? O2 C33A C41 58.2(7) 2_666 2_666 ? C13A C33A C41 120.3(8) 1_565 2_666 ? C31 C33A S25 73.1(15) . 2_666 ? C35 C33A S25 106.3(16) . 2_666 ? C30 C33A S25 81.2(9) . 2_666 ? S21A C33A S25 95.6(7) . 2_666 ? S19 C33A S25 68.5(5) . 2_666 ? O4 C33A S25 147.2(10) 1_566 2_666 ? O2 C33A S25 52.0(5) 2_666 2_666 ? C13A C33A S25 97.5(6) 1_565 2_666 ? C41 C33A S25 27.2(4) 2_666 2_666 ? C31 C33A C24 72.1(16) . 2_566 ? C35 C33A C24 81.5(16) . 2_566 ? C30 C33A C24 67.9(10) . 2_566 ? S21A C33A C24 70.2(7) . 2_566 ? S19 C33A C24 81.2(7) . 2_566 ? O4 C33A C24 62.9(9) 1_566 2_566 ? O2 C33A C24 151.1(9) 2_666 2_566 ? C13A C33A C24 83.6(7) 1_565 2_566 ? C41 C33A C24 150.0(9) 2_666 2_566 ? S25 C33A C24 145.2(8) 2_666 2_566 ? C31 C33A H33A 110.9 . . ? C35 C33A H33A 110.9 . . ? C30 C33A H33A 122.6 . . ? S21A C33A H33A 123.5 . . ? S19 C33A H33A 95.8 . . ? O4 C33A H33A 22.0 1_566 . ? O2 C33A H33A 95.0 2_666 . ? C13A C33A H33A 44.1 1_565 . ? C41 C33A H33A 152.3 2_666 . ? S25 C33A H33A 139.8 2_666 . ? C24 C33A H33A 57.6 2_566 . ? C31 C33A H33B 110.9 . . ? C35 C33A H33B 110.9 . . ? C30 C33A H33B 122.1 . . ? S21A C33A H33B 124.6 . . ? S19 C33A H33B 95.0 . . ? O4 C33A H33B 107.3 1_566 . ? O2 C33A H33B 14.2 2_666 . ? C13A C33A H33B 81.8 1_565 . ? C41 C33A H33B 44.0 2_666 . ? S25 C33A H33B 41.1 2_666 . ? C24 C33A H33B 165.1 2_566 . ? H33A C33A H33B 108.9 . . ? C39 S26A C44 90.8(13) . . ? C39 S26A C38 27.1(10) . . ? C44 S26A C38 63.7(11) . . ? C39 S26A C42A 60.9(10) . . ? C44 S26A C42A 29.9(9) . . ? C38 S26A C42A 33.7(6) . . ? C39 S26A S23 27.9(9) . . ? C44 S26A S23 118.7(10) . . ? C38 S26A S23 55.1(6) . . ? C42A S26A S23 88.8(4) . . ? C39 S26A O7 162.8(11) . 1_556 ? C44 S26A O7 74.8(10) . 1_556 ? C38 S26A O7 137.2(8) . 1_556 ? C42A S26A O7 104.2(6) . 1_556 ? S23 S26A O7 164.9(6) . 1_556 ? C39 S26A C29 83.9(11) . 2_666 ? C44 S26A C29 81.3(12) . 2_666 ? C38 S26A C29 79.6(8) . 2_666 ? C42A S26A C29 78.3(6) . 2_666 ? S23 S26A C29 90.4(6) . 2_666 ? O7 S26A C29 84.7(7) 1_556 2_666 ? C39 S26A S5 90.0(10) . . ? C44 S26A S5 162.8(12) . . ? C38 S26A S5 115.5(7) . . ? C42A S26A S5 146.0(5) . . ? S23 S26A S5 64.1(3) . . ? O7 S26A S5 101.0(5) 1_556 . ? C29 S26A S5 81.7(5) 2_666 . ? C39 S26A C21 84.9(11) . . ? C44 S26A C21 77.8(12) . . ? C38 S26A C21 80.8(8) . . ? C42A S26A C21 77.8(6) . . ? S23 S26A C21 89.5(5) . . ? O7 S26A C21 100.7(6) 1_556 . ? C29 S26A C21 156.1(7) 2_666 . ? S5 S26A C21 119.4(5) . . ? C39 S26A S20A 109.7(11) . 2_666 ? C44 S26A S20A 80.9(11) . 2_666 ? C38 S26A S20A 102.4(7) . 2_666 ? C42A S26A S20A 90.8(5) . 2_666 ? S23 S26A S20A 113.5(4) . 2_666 ? O7 S26A S20A 59.5(5) 1_556 2_666 ? C29 S26A S20A 25.9(5) 2_666 2_666 ? S5 S26A S20A 82.6(3) . 2_666 ? C21 S26A S20A 154.3(5) . 2_666 ? C39 S26A S7 140.4(10) . . ? C44 S26A S7 123.6(11) . . ? C38 S26A S7 159.7(7) . . ? C42A S26A S7 149.6(5) . . ? S23 S26A S7 115.2(4) . . ? O7 S26A S7 50.0(4) 1_556 . ? C29 S26A S7 83.0(6) 2_666 . ? S5 S26A S7 51.2(2) . . ? C21 S26A S7 118.5(5) . . ? S20A S26A S7 63.3(3) 2_666 . ? C38 C42A C44 93.3(15) . . ? C38 C42A C39 26.7(11) . . ? C44 C42A C39 66.6(12) . . ? C38 C42A S26A 62.4(10) . . ? C44 C42A S26A 31.0(10) . . ? C39 C42A S26A 35.7(6) . . ? C38 C42A S22 28.9(10) . . ? C44 C42A S22 122.2(12) . . ? C39 C42A S22 55.6(6) . . ? S26A C42A S22 91.3(5) . . ? C38 C42A O 163.5(15) . 1_556 ? C44 C42A O 84.7(12) . 1_556 ? C39 C42A O 147.2(10) . 1_556 ? S26A C42A O 114.6(7) . 1_556 ? S22 C42A O 148.5(8) . 1_556 ? C38 C42A C48 172.5(15) . 1_556 ? C44 C42A C48 86.4(13) . 1_556 ? C39 C42A C48 152.0(11) . 1_556 ? S26A C42A C48 116.9(9) . 1_556 ? S22 C42A C48 150.8(9) . 1_556 ? O C42A C48 24.0(8) 1_556 1_556 ? C38 C42A S14A 92.8(11) . 2_566 ? C44 C42A S14A 162.9(13) . 2_566 ? C39 C42A S14A 118.3(8) . 2_566 ? S26A C42A S14A 151.2(6) . 2_566 ? S22 C42A S14A 64.8(4) . 2_566 ? O C42A S14A 84.9(7) 1_556 2_566 ? C48 C42A S14A 89.7(8) 1_556 2_566 ? C38 C42A C20 85.9(12) . . ? C44 C42A C20 77.2(13) . . ? C39 C42A C20 80.4(8) . . ? S26A C42A C20 77.2(6) . . ? S22 C42A C20 91.9(6) . . ? O C42A C20 77.6(8) 1_556 . ? C48 C42A C20 101.3(9) 1_556 . ? S14A C42A C20 87.4(6) 2_566 . ? C38 C42A C28 83.8(12) . 2_666 ? C44 C42A C28 80.4(13) . 2_666 ? C39 C42A C28 80.0(8) . 2_666 ? S26A C42A C28 77.5(6) . 2_666 ? S22 C42A C28 90.3(6) . 2_666 ? O C42A C28 111.9(8) 1_556 2_666 ? C48 C42A C28 88.7(9) 1_556 2_666 ? S14A C42A C28 116.2(6) 2_566 2_666 ? C20 C42A C28 154.7(7) . 2_666 ? C38 C42A S12 72.4(12) . . ? C44 C42A S12 99.7(13) . . ? C39 C42A S12 78.3(8) . . ? S26A C42A S12 90.3(5) . . ? S22 C42A S12 69.4(4) . . ? O C42A S12 91.7(7) 1_556 . ? C48 C42A S12 115.0(8) 1_556 . ? S14A C42A S12 67.1(3) 2_566 . ? C20 C42A S12 25.7(4) . . ? C28 C42A S12 156.3(6) 2_666 . ? C38 C42A H42A 113.0 . . ? C44 C42A H42A 113.1 . . ? C39 C42A H42A 122.3 . . ? S26A C42A H42A 124.0 . . ? S22 C42A H42A 97.5 . . ? O C42A H42A 53.7 1_556 . ? C48 C42A H42A 73.9 1_556 . ? S14A C42A H42A 50.0 2_566 . ? C20 C42A H42A 47.4 . . ? C28 C42A H42A 156.7 2_666 . ? S12 C42A H42A 44.1 . . ? C38 C42A H42B 113.1 . . ? C44 C42A H42B 113.0 . . ? C39 C42A H42B 122.5 . . ? S26A C42A H42B 122.6 . . ? S22 C42A H42B 98.9 . . ? O C42A H42B 82.6 1_556 . ? C48 C42A H42B 60.4 1_556 . ? S14A C42A H42B 79.0 2_566 . ? C20 C42A H42B 156.8 . . ? C28 C42A H42B 46.4 2_666 . ? S12 C42A H42B 145.9 . . ? H42A C42A H42B 110.4 . . ? C40 S27A C45 91.8(15) . . ? C40 S27A C41 27.2(11) . . ? C45 S27A C41 64.5(13) . . ? C40 S27A C43A 61.9(11) . . ? C45 S27A C43A 29.9(11) . . ? C41 S27A C43A 34.6(6) . . ? C40 S27A S24 28.4(10) . . ? C45 S27A S24 120.2(12) . . ? C41 S27A S24 55.6(6) . . ? C43A S27A S24 90.3(5) . . ? C40 S27A O5 120.8(13) . . ? C45 S27A O5 80.3(13) . . ? C41 S27A O5 112.8(9) . . ? C43A S27A O5 95.9(7) . . ? S24 S27A O5 121.0(7) . . ? C40 S27A O6 159.4(12) . . ? C45 S27A O6 70.7(12) . . ? C41 S27A O6 134.0(8) . . ? C43A S27A O6 100.1(7) . . ? S24 S27A O6 164.7(7) . . ? O5 S27A O6 47.2(6) . . ? C40 S27A S12 95.0(11) . 2_566 ? C45 S27A S12 164.0(14) . 2_566 ? C41 S27A S12 121.2(7) . 2_566 ? C43A S27A S12 153.3(5) . 2_566 ? S24 S27A S12 67.7(3) . 2_566 ? O5 S27A S12 108.2(6) . 2_566 ? O6 S27A S12 104.7(6) . 2_566 ? C40 S27A C23A 141.5(12) . 2_566 ? C45 S27A C23A 124.2(13) . 2_566 ? C41 S27A C23A 164.5(8) . 2_566 ? C43A S27A C23A 152.6(6) . 2_566 ? S24 S27A C23A 114.3(5) . 2_566 ? O5 S27A C23A 82.2(7) . 2_566 ? O6 S27A C23A 58.8(6) . 2_566 ? S12 S27A C23A 46.7(4) 2_566 2_566 ? C40 S27A S14A 70.3(12) . . ? C45 S27A S14A 101.5(13) . . ? C41 S27A S14A 77.5(7) . . ? C43A S27A S14A 90.7(5) . . ? S24 S27A S14A 67.8(3) . . ? O5 S27A S14A 168.9(6) . . ? O6 S27A S14A 122.8(6) . . ? S12 S27A S14A 67.6(3) 2_566 . ? C23A S27A S14A 87.8(5) 2_566 . ? C45 C43A C41 94.8(17) . . ? C45 C43A C40 66.4(14) . . ? C41 C43A C40 28.4(11) . . ? C45 C43A S27A 32.4(12) . . ? C41 C43A S27A 62.5(10) . . ? C40 C43A S27A 34.1(7) . . ? C45 C43A S25 123.7(14) . . ? C41 C43A S25 28.9(10) . . ? C40 C43A S25 57.3(7) . . ? S27A C43A S25 91.3(5) . . ? C45 C43A O2 158.3(17) . . ? C41 C43A O2 91.8(12) . . ? C40 C43A O2 118.0(10) . . ? S27A C43A O2 147.2(8) . . ? S25 C43A O2 64.6(5) . . ? C45 C43A O3 119.5(15) . . ? C41 C43A O3 144.1(13) . . ? C40 C43A O3 167.9(11) . . ? S27A C43A O3 150.6(8) . . ? S25 C43A O3 115.8(7) . . ? O2 C43A O3 52.3(6) . . ? C45 C43A O1 77.8(15) . 2 ? C41 C43A O1 130.7(14) . 2 ? C40 C43A O1 120.6(10) . 2 ? S27A C43A O1 99.8(7) . 2 ? S25 C43A O1 131.3(8) . 2 ? O2 C43A O1 112.8(8) . 2 ? O3 C43A O1 71.6(8) . 2 ? C45 C43A Re1 143.0(14) . . ? C41 C43A Re1 117.3(12) . . ? C40 C43A Re1 143.1(9) . . ? S27A C43A Re1 162.6(7) . . ? S25 C43A Re1 89.5(4) . . ? O2 C43A Re1 25.6(4) . . ? O3 C43A Re1 26.8(4) . . ? O1 C43A Re1 92.6(6) 2 . ? C45 C43A C35 79.7(15) . 2_666 ? C41 C43A C35 72.9(12) . 2_666 ? C40 C43A C35 68.4(9) . 2_666 ? S27A C43A C35 70.9(6) . 2_666 ? S25 C43A C35 79.9(6) . 2_666 ? O2 C43A C35 82.6(7) . 2_666 ? O3 C43A C35 101.4(8) . 2_666 ? O1 C43A C35 148.4(8) 2 2_666 ? Re1 C43A C35 92.2(5) . 2_666 ? C45 C43A H43A 112.8 . . ? C41 C43A H43A 112.8 . . ? C40 C43A H43A 122.0 . . ? S27A C43A H43A 122.9 . . ? S25 C43A H43A 97.0 . . ? O2 C43A H43A 45.9 . . ? O3 C43A H43A 46.6 . . ? O1 C43A H43A 115.0 2 . ? Re1 C43A H43A 39.9 . . ? C35 C43A H43A 55.5 2_666 . ? C45 C43A H43B 112.8 . . ? C41 C43A H43B 112.8 . . ? C40 C43A H43B 123.4 . . ? S27A C43A H43B 124.2 . . ? S25 C43A H43B 98.6 . . ? O2 C43A H43B 83.3 . . ? O3 C43A H43B 65.6 . . ? O1 C43A H43B 37.4 2 . ? Re1 C43A H43B 72.8 . . ? C35 C43A H43B 165.0 2_666 . ? H43A C43A H43B 110.2 . . ? O4 Re1 O2 109.6(15) . . ? O4 Re1 O3 108.6(15) . . ? O2 Re1 O3 110.8(12) . . ? O4 Re1 O1 110.8(16) . . ? O2 Re1 O1 108.3(13) . . ? O3 Re1 O1 108.7(12) . . ? O4 Re1 C43A 125.9(13) . . ? O2 Re1 C43A 52.7(8) . . ? O3 Re1 C43A 58.1(9) . . ? O1 Re1 C43A 123.2(10) . . ? O4 Re1 S14B 70.3(12) . 2 ? O2 Re1 S14B 172.3(8) . 2 ? O3 Re1 S14B 62.8(9) . 2 ? O1 Re1 S14B 78.4(10) . 2 ? C43A Re1 S14B 120.8(4) . 2 ? O4 Re1 C22A 70.3(12) . 2 ? O2 Re1 C22A 172.3(8) . 2 ? O3 Re1 C22A 62.8(9) . 2 ? O1 Re1 C22A 78.4(10) . 2 ? C43A Re1 C22A 120.8(4) . 2 ? S14B Re1 C22A 0.0(13) 2 2 ? O6 Re2 O7 108.3(13) . . ? O6 Re2 O5 109.2(14) . . ? O7 Re2 O5 110.6(12) . . ? O6 Re2 O8 106.2(19) . . ? O7 Re2 O8 113.1(15) . . ? O5 Re2 O8 109.3(16) . . ? O6 Re2 C13B 102.1(11) . 1_554 ? O7 Re2 C13B 55.8(8) . 1_554 ? O5 Re2 C13B 60.6(9) . 1_554 ? O8 Re2 C13B 151.8(16) . 1_554 ? O6 Re2 S9A 102.1(11) . 1_554 ? O7 Re2 S9A 55.8(8) . 1_554 ? O5 Re2 S9A 60.6(9) . 1_554 ? O8 Re2 S9A 151.8(16) . 1_554 ? C13B Re2 S9A 0.0(7) 1_554 1_554 ? Re1 O1 O4 33.5(9) . . ? Re1 O1 O2 35.1(7) . . ? O4 O1 O2 58.5(10) . . ? Re1 O1 O3 35.5(7) . . ? O4 O1 O3 58.5(10) . . ? O2 O1 O3 60.2(8) . . ? Re1 O1 S27B 117.1(11) . 2 ? O4 O1 S27B 126.6(12) . 2 ? O2 O1 S27B 131.0(11) . 2 ? O3 O1 S27B 81.6(9) . 2 ? Re1 O1 C43A 117.1(11) . 2 ? O4 O1 C43A 126.6(12) . 2 ? O2 O1 C43A 131.0(11) . 2 ? O3 O1 C43A 81.6(9) . 2 ? S27B O1 C43A 0.0(12) 2 2 ? Re1 O1 C5 122.5(14) . 2_556 ? O4 O1 C5 148.5(14) . 2_556 ? O2 O1 C5 91.1(11) . 2_556 ? O3 O1 C5 116.1(13) . 2_556 ? S27B O1 C5 78.5(9) 2 2_556 ? C43A O1 C5 78.5(9) 2 2_556 ? Re1 O1 C45 144.5(14) . 2 ? O4 O1 C45 139.3(14) . 2 ? O2 O1 C45 154.6(14) . 2 ? O3 O1 C45 109.7(11) . 2 ? S27B O1 C45 28.7(7) 2 2 ? C43A O1 C45 28.7(7) 2 2 ? C5 O1 C45 72.1(10) 2_556 2 ? Re1 O1 C46 124.3(15) . 1_545 ? O4 O1 C46 93.4(13) . 1_545 ? O2 O1 C46 119.8(13) . 1_545 ? O3 O1 C46 148.5(15) . 1_545 ? S27B O1 C46 108.9(11) 2 1_545 ? C43A O1 C46 108.9(11) 2 1_545 ? C5 O1 C46 95.3(11) 2_556 1_545 ? C45 O1 C46 81.5(11) 2 1_545 ? Re1 O1 C24 92.6(12) . 2 ? O4 O1 C24 70.2(11) . 2 ? O2 O1 C24 126.7(11) . 2 ? O3 O1 C24 82.1(10) . 2 ? S27B O1 C24 70.4(8) 2 2 ? C43A O1 C24 70.4(8) 2 2 ? C5 O1 C24 141.3(12) 2_556 2 ? C45 O1 C24 69.6(10) 2 2 ? C46 O1 C24 74.3(11) 1_545 2 ? Re1 O1 C14 85.6(11) . . ? O4 O1 C14 83.1(11) . . ? O2 O1 C14 58.3(8) . . ? O3 O1 C14 118.0(10) . . ? S27B O1 C14 150.2(11) 2 . ? C43A O1 C14 150.2(11) 2 . ? C5 O1 C14 72.7(9) 2_556 . ? C45 O1 C14 129.5(11) 2 . ? C46 O1 C14 67.0(10) 1_545 . ? C24 O1 C14 131.0(11) 2 . ? Re1 O1 O3 89.1(10) . 2 ? O4 O1 O3 121.3(11) . 2 ? O2 O1 O3 80.8(9) . 2 ? O3 O1 O3 65.1(10) . 2 ? S27B O1 O3 54.3(6) 2 2 ? C43A O1 O3 54.3(6) 2 2 ? C5 O1 O3 53.9(8) 2_556 2 ? C45 O1 O3 73.9(9) 2 2 ? C46 O1 O3 145.1(12) 1_545 2 ? C24 O1 O3 117.8(10) 2 2 ? C14 O1 O3 111.2(10) . 2 ? Re1 O1 C4A 137.7(14) . 2_556 ? O4 O1 C4A 146.1(12) . 2_556 ? O2 O1 C4A 102.6(10) . 2_556 ? O3 O1 C4A 140.4(12) . 2_556 ? S27B O1 C4A 87.2(7) 2 2_556 ? C43A O1 C4A 87.2(7) 2 2_556 ? C5 O1 C4A 24.4(6) 2_556 2_556 ? C45 O1 C4A 69.7(8) 2 2_556 ? C46 O1 C4A 70.9(9) 1_545 2_556 ? C24 O1 C4A 129.2(9) 2 2_556 ? C14 O1 C4A 63.3(7) . 2_556 ? O3 O1 C4A 77.5(7) 2 2_556 ? Re1 O1 S3B 137.7(14) . 2_556 ? O4 O1 S3B 146.1(12) . 2_556 ? O2 O1 S3B 102.6(10) . 2_556 ? O3 O1 S3B 140.4(12) . 2_556 ? S27B O1 S3B 87.2(7) 2 2_556 ? C43A O1 S3B 87.2(7) 2 2_556 ? C5 O1 S3B 24.4(6) 2_556 2_556 ? C45 O1 S3B 69.7(8) 2 2_556 ? C46 O1 S3B 70.9(9) 1_545 2_556 ? C24 O1 S3B 129.2(9) 2 2_556 ? C14 O1 S3B 63.3(7) . 2_556 ? O3 O1 S3B 77.5(7) 2 2_556 ? C4A O1 S3B 0.0(10) 2_556 2_556 ? Re1 O1 C22A 75.8(10) . 2 ? O4 O1 C22A 63.7(9) . 2 ? O2 O1 C22A 110.9(9) . 2 ? O3 O1 C22A 58.9(8) . 2 ? S27B O1 C22A 65.6(7) 2 2 ? C43A O1 C22A 65.6(7) 2 2 ? C5 O1 C22A 144.1(11) 2_556 2 ? C45 O1 C22A 76.9(9) 2 2 ? C46 O1 C22A 97.5(11) 1_545 2 ? C24 O1 C22A 23.6(6) 2 2 ? C14 O1 C22A 142.9(10) . 2 ? O3 O1 C22A 100.5(8) 2 2 ? C4A O1 C22A 145.8(8) 2_556 2 ? S3B O1 C22A 145.8(8) 2_556 2 ? Re1 O1 S14B 75.8(10) . 2 ? O4 O1 S14B 63.7(9) . 2 ? O2 O1 S14B 110.9(9) . 2 ? O3 O1 S14B 58.9(8) . 2 ? S27B O1 S14B 65.6(7) 2 2 ? C43A O1 S14B 65.6(7) 2 2 ? C5 O1 S14B 144.1(11) 2_556 2 ? C45 O1 S14B 76.9(9) 2 2 ? C46 O1 S14B 97.5(11) 1_545 2 ? C24 O1 S14B 23.6(6) 2 2 ? C14 O1 S14B 142.9(10) . 2 ? O3 O1 S14B 100.5(8) 2 2 ? C4A O1 S14B 145.8(8) 2_556 2 ? S3B O1 S14B 145.8(8) 2_556 2 ? C22A O1 S14B 0.0(11) 2 2 ? Re1 O2 O4 34.8(8) . . ? Re1 O2 O1 36.5(8) . . ? O4 O2 O1 61.0(10) . . ? Re1 O2 O3 35.1(7) . . ? O4 O2 O3 59.4(10) . . ? O1 O2 O3 60.6(9) . . ? Re1 O2 C43A 101.8(10) . . ? O4 O2 C43A 117.0(11) . . ? O1 O2 C43A 116.0(10) . . ? O3 O2 C43A 66.6(8) . . ? Re1 O2 C14 102.3(11) . . ? O4 O2 C14 93.3(11) . . ? O1 O2 C14 75.4(9) . . ? O3 O2 C14 135.3(11) . . ? C43A O2 C14 149.7(10) . . ? Re1 O2 S25 154.9(13) . . ? O4 O2 S25 161.7(12) . . ? O1 O2 S25 137.0(11) . . ? O3 O2 S25 121.7(10) . . ? C43A O2 S25 56.4(5) . . ? C14 O2 S25 95.4(8) . . ? Re1 O2 S8A 131.9(11) . . ? O4 O2 S8A 117.3(11) . . ? O1 O2 S8A 102.3(9) . . ? O3 O2 S8A 162.6(10) . . ? C43A O2 S8A 123.7(8) . . ? C14 O2 S8A 29.6(6) . . ? S25 O2 S8A 67.3(5) . . ? Re1 O2 C41 129.4(11) . . ? O4 O2 C41 139.6(11) . . ? O1 O2 C41 135.3(12) . . ? O3 O2 C41 94.3(9) . . ? C43A O2 C41 27.7(5) . . ? C14 O2 C41 124.8(9) . . ? S25 O2 C41 29.4(5) . . ? S8A O2 C41 96.6(7) . . ? Re1 O2 S21B 122.0(11) . 2_666 ? O4 O2 S21B 95.9(11) . 2_666 ? O1 O2 S21B 156.7(11) . 2_666 ? O3 O2 S21B 107.0(9) . 2_666 ? C43A O2 S21B 70.5(7) . 2_666 ? C14 O2 S21B 110.8(9) . 2_666 ? S25 O2 S21B 65.9(5) . 2_666 ? S8A O2 S21B 90.2(6) . 2_666 ? C41 O2 S21B 60.7(7) . 2_666 ? Re1 O2 C33A 122.0(11) . 2_666 ? O4 O2 C33A 95.9(11) . 2_666 ? O1 O2 C33A 156.7(11) . 2_666 ? O3 O2 C33A 107.0(9) . 2_666 ? C43A O2 C33A 70.5(7) . 2_666 ? C14 O2 C33A 110.8(9) . 2_666 ? S25 O2 C33A 65.9(5) . 2_666 ? S8A O2 C33A 90.2(6) . 2_666 ? C41 O2 C33A 60.7(7) . 2_666 ? S21B O2 C33A 0.0(13) 2_666 2_666 ? Re1 O3 O4 34.7(9) . . ? Re1 O3 O1 35.8(7) . . ? O4 O3 O1 60.2(10) . . ? Re1 O3 O2 34.1(7) . . ? O4 O3 O2 58.7(9) . . ? O1 O3 O2 59.1(9) . . ? Re1 O3 C5 165.0(14) . 1_554 ? O4 O3 C5 135.6(13) . 1_554 ? O1 O3 C5 159.2(12) . 1_554 ? O2 O3 C5 137.2(11) . 1_554 ? Re1 O3 C43A 95.1(10) . . ? O4 O3 C43A 111.6(10) . . ? O1 O3 C43A 110.2(10) . . ? O2 O3 C43A 61.0(7) . . ? C5 O3 C43A 78.5(8) 1_554 . ? Re1 O3 C4B 156.4(13) . 1_554 ? O4 O3 C4B 126.6(11) . 1_554 ? O1 O3 C4B 132.9(10) . 1_554 ? O2 O3 C4B 167.8(10) . 1_554 ? C5 O3 C4B 30.6(6) 1_554 1_554 ? C43A O3 C4B 107.9(8) . 1_554 ? Re1 O3 S3A 156.4(13) . 1_554 ? O4 O3 S3A 126.6(11) . 1_554 ? O1 O3 S3A 132.9(10) . 1_554 ? O2 O3 S3A 167.8(10) . 1_554 ? C5 O3 S3A 30.6(6) 1_554 1_554 ? C43A O3 S3A 107.9(8) . 1_554 ? C4B O3 S3A 0.0(6) 1_554 1_554 ? Re1 O3 S14B 90.7(11) . 2 ? O4 O3 S14B 71.6(10) . 2 ? O1 O3 S14B 76.7(9) . 2 ? O2 O3 S14B 124.7(11) . 2 ? C5 O3 S14B 94.9(9) 1_554 2 ? C43A O3 S14B 173.1(9) . 2 ? C4B O3 S14B 65.9(6) 1_554 2 ? S3A O3 S14B 65.9(6) 1_554 2 ? Re1 O3 C22A 90.7(11) . 2 ? O4 O3 C22A 71.6(10) . 2 ? O1 O3 C22A 76.7(9) . 2 ? O2 O3 C22A 124.7(11) . 2 ? C5 O3 C22A 94.9(9) 1_554 2 ? C43A O3 C22A 173.1(9) . 2 ? C4B O3 C22A 65.9(6) 1_554 2 ? S3A O3 C22A 65.9(6) 1_554 2 ? S14B O3 C22A 0.0(14) 2 2 ? Re1 O3 C15 98.6(12) . 1_554 ? O4 O3 C15 71.2(11) . 1_554 ? O1 O3 C15 131.2(12) . 1_554 ? O2 O3 C15 93.0(10) . 1_554 ? C5 O3 C15 67.4(10) 1_554 1_554 ? C43A O3 C15 83.0(8) . 1_554 ? C4B O3 C15 79.7(8) 1_554 1_554 ? S3A O3 C15 79.7(8) 1_554 1_554 ? S14B O3 C15 92.6(9) 2 1_554 ? C22A O3 C15 92.6(9) 2 1_554 ? Re1 O3 O3 94.2(12) . 2 ? O4 O3 O3 128.0(12) . 2 ? O1 O3 O3 70.6(9) . 2 ? O2 O3 O3 83.1(10) . 2 ? C5 O3 O3 96.3(12) 1_554 2 ? C43A O3 O3 70.0(9) . 2 ? C4B O3 O3 98.4(10) 1_554 2 ? S3A O3 O3 98.4(10) 1_554 2 ? S14B O3 O3 113.3(10) 2 2 ? C22A O3 O3 113.3(10) 2 2 ? C15 O3 O3 151.0(13) 1_554 2 ? Re1 O3 C13A 99.8(12) . 1_554 ? O4 O3 C13A 65.8(9) . 1_554 ? O1 O3 C13A 121.8(11) . 1_554 ? O2 O3 C13A 108.5(10) . 1_554 ? C5 O3 C13A 70.0(8) 1_554 1_554 ? C43A O3 C13A 108.3(8) . 1_554 ? C4B O3 C13A 68.6(6) 1_554 1_554 ? S3A O3 C13A 68.6(6) 1_554 1_554 ? S14B O3 C13A 67.0(7) 2 1_554 ? C22A O3 C13A 67.0(7) 2 1_554 ? C15 O3 C13A 25.6(6) 1_554 1_554 ? O3 O3 C13A 166.0(11) 2 1_554 ? Re1 O3 S9B 99.8(12) . 1_554 ? O4 O3 S9B 65.8(9) . 1_554 ? O1 O3 S9B 121.8(11) . 1_554 ? O2 O3 S9B 108.5(10) . 1_554 ? C5 O3 S9B 70.0(8) 1_554 1_554 ? C43A O3 S9B 108.3(8) . 1_554 ? C4B O3 S9B 68.6(6) 1_554 1_554 ? S3A O3 S9B 68.6(6) 1_554 1_554 ? S14B O3 S9B 67.0(7) 2 1_554 ? C22A O3 S9B 67.0(7) 2 1_554 ? C15 O3 S9B 25.6(6) 1_554 1_554 ? O3 O3 S9B 166.0(11) 2 1_554 ? C13A O3 S9B 0.0(9) 1_554 1_554 ? Re1 O3 O1 132.1(13) . 2 ? O4 O3 O1 163.9(11) . 2 ? O1 O3 O1 114.9(10) . 2 ? O2 O3 O1 105.3(10) . 2 ? C5 O3 O1 54.0(8) 1_554 2 ? C43A O3 O1 54.1(7) . 2 ? C4B O3 O1 68.7(7) 1_554 2 ? S3A O3 O1 68.7(7) 1_554 2 ? S14B O3 O1 123.4(9) 2 2 ? C22A O3 O1 123.4(9) 2 2 ? C15 O3 O1 110.7(9) 1_554 2 ? O3 O3 O1 44.3(7) 2 2 ? C13A O3 O1 122.9(8) 1_554 2 ? S9B O3 O1 122.9(8) 1_554 2 ? Re1 O4 O2 35.7(8) . . ? Re1 O4 O1 35.7(9) . . ? O2 O4 O1 60.5(10) . . ? Re1 O4 O3 36.7(9) . . ? O2 O4 O3 61.9(9) . . ? O1 O4 O3 61.3(9) . . ? Re1 O4 S21B 156.5(17) . 1_544 ? O2 O4 S21B 167.4(14) . 1_544 ? O1 O4 S21B 130.9(14) . 1_544 ? O3 O4 S21B 126.2(12) . 1_544 ? Re1 O4 C33A 156.5(17) . 1_544 ? O2 O4 C33A 167.4(14) . 1_544 ? O1 O4 C33A 130.9(14) . 1_544 ? O3 O4 C33A 126.2(12) . 1_544 ? S21B O4 C33A 0.0(16) 1_544 1_544 ? Re1 O4 C15 122.3(15) . 2_656 ? O2 O4 C15 89.5(11) . 2_656 ? O1 O4 C15 117.5(13) . 2_656 ? O3 O4 C15 148.5(13) . 2_656 ? S21B O4 C15 80.1(9) 1_544 2_656 ? C33A O4 C15 80.1(9) 1_544 2_656 ? Re1 O4 C35 150.2(18) . 1_544 ? O2 O4 C35 152.8(13) . 1_544 ? O1 O4 C35 114.8(13) . 1_544 ? O3 O4 C35 142.6(12) . 1_544 ? S21B O4 C35 25.3(6) 1_544 1_544 ? C33A O4 C35 25.3(6) 1_544 1_544 ? C15 O4 C35 68.6(9) 2_656 1_544 ? Re1 O4 S9B 106.2(14) . 1_554 ? O2 O4 S9B 114.0(12) . 1_554 ? O1 O4 S9B 126.9(12) . 1_554 ? O3 O4 S9B 70.4(9) . 1_554 ? S21B O4 S9B 65.2(7) 1_544 1_554 ? C33A O4 S9B 65.2(7) 1_544 1_554 ? C15 O4 S9B 115.0(11) 2_656 1_554 ? C35 O4 S9B 90.5(8) 1_544 1_554 ? Re1 O4 C13A 106.2(14) . 1_554 ? O2 O4 C13A 114.0(12) . 1_554 ? O1 O4 C13A 126.9(12) . 1_554 ? O3 O4 C13A 70.4(9) . 1_554 ? S21B O4 C13A 65.2(7) 1_544 1_554 ? C33A O4 C13A 65.2(7) 1_544 1_554 ? C15 O4 C13A 115.0(11) 2_656 1_554 ? C35 O4 C13A 90.5(8) 1_544 1_554 ? S9B O4 C13A 0.0(8) 1_554 1_554 ? Re1 O4 S14B 84.6(12) . 2 ? O2 O4 S14B 119.9(11) . 2 ? O1 O4 S14B 73.3(10) . 2 ? O3 O4 S14B 63.2(8) . 2 ? S21B O4 S14B 71.9(8) 1_544 2 ? C33A O4 S14B 71.9(8) 1_544 2 ? C15 O4 S14B 148.3(11) 2_656 2 ? C35 O4 S14B 79.8(8) 1_544 2 ? S9B O4 S14B 66.1(7) 1_554 2 ? C13A O4 S14B 66.1(7) 1_554 2 ? Re1 O4 C22A 84.6(12) . 2 ? O2 O4 C22A 119.9(11) . 2 ? O1 O4 C22A 73.3(10) . 2 ? O3 O4 C22A 63.2(8) . 2 ? S21B O4 C22A 71.9(8) 1_544 2 ? C33A O4 C22A 71.9(8) 1_544 2 ? C15 O4 C22A 148.3(11) 2_656 2 ? C35 O4 C22A 79.8(8) 1_544 2 ? S9B O4 C22A 66.1(7) 1_554 2 ? C13A O4 C22A 66.1(7) 1_554 2 ? S14B O4 C22A 0.0(13) 2 2 ? Re1 O4 C24 90.1(14) . 2 ? O2 O4 C24 124.3(12) . 2 ? O1 O4 C24 65.8(11) . 2 ? O3 O4 C24 80.9(10) . 2 ? S21B O4 C24 68.2(9) 1_544 2 ? C33A O4 C24 68.2(9) 1_544 2 ? C15 O4 C24 129.1(12) 2_656 2 ? C35 O4 C24 65.8(9) 1_544 2 ? S9B O4 C24 86.9(9) 1_554 2 ? C13A O4 C24 86.9(9) 1_554 2 ? S14B O4 C24 24.3(6) 2 2 ? C22A O4 C24 24.3(6) 2 2 ? Re1 O4 C15 93.9(15) . 1_554 ? O2 O4 C15 90.7(11) . 1_554 ? O1 O4 C15 125.5(13) . 1_554 ? O3 O4 C15 64.3(10) . 1_554 ? S21B O4 C15 85.5(10) 1_544 1_554 ? C33A O4 C15 85.5(10) 1_544 1_554 ? C15 O4 C15 106.3(11) 2_656 1_554 ? C35 O4 C15 110.2(10) 1_544 1_554 ? S9B O4 C15 25.6(6) 1_554 1_554 ? C13A O4 C15 25.6(6) 1_554 1_554 ? S14B O4 C15 86.3(9) 2 1_554 ? C22A O4 C15 86.3(9) 2 1_554 ? C24 O4 C15 109.6(11) 2 1_554 ? Re2 O5 O6 35.0(9) . . ? Re2 O5 O7 34.4(7) . . ? O6 O5 O7 58.8(9) . . ? Re2 O5 O8 35.2(9) . . ? O6 O5 O8 58.3(12) . . ? O7 O5 O8 60.9(9) . . ? Re2 O5 C35 161.4(16) . 2_666 ? O6 O5 C35 131.8(12) . 2_666 ? O7 O5 C35 135.1(12) . 2_666 ? O8 O5 C35 162.7(13) . 2_666 ? Re2 O5 C48 107.1(14) . 2_665 ? O6 O5 C48 141.6(12) . 2_665 ? O7 O5 C48 92.4(12) . 2_665 ? O8 O5 C48 86.5(14) . 2_665 ? C35 O5 C48 86.2(12) 2_666 2_665 ? Re2 O5 C13B 92.6(11) . 1_554 ? O6 O5 C13B 94.1(10) . 1_554 ? O7 O5 C13B 62.0(7) . 1_554 ? O8 O5 C13B 122.8(11) . 1_554 ? C35 O5 C13B 73.3(8) 2_666 1_554 ? C48 O5 C13B 93.1(10) 2_665 1_554 ? Re2 O5 S9A 92.6(11) . 1_554 ? O6 O5 S9A 94.1(10) . 1_554 ? O7 O5 S9A 62.0(7) . 1_554 ? O8 O5 S9A 122.8(11) . 1_554 ? C35 O5 S9A 73.3(8) 2_666 1_554 ? C48 O5 S9A 93.1(10) 2_665 1_554 ? C13B O5 S9A 0.0(8) 1_554 1_554 ? Re2 O5 C32A 99.3(12) . . ? O6 O5 C32A 101.7(10) . . ? O7 O5 C32A 125.7(11) . . ? O8 O5 C32A 66.0(9) . . ? C35 O5 C32A 96.9(9) 2_666 . ? C48 O5 C32A 73.4(10) 2_665 . ? C13B O5 C32A 164.1(11) 1_554 . ? S9A O5 C32A 164.1(11) 1_554 . ? Re2 O5 C33B 163.6(14) . 2_666 ? O6 O5 C33B 138.2(10) . 2_666 ? O7 O5 C33B 161.1(12) . 2_666 ? O8 O5 C33B 131.2(11) . 2_666 ? C35 O5 C33B 31.5(5) 2_666 2_666 ? C48 O5 C33B 75.7(10) 2_665 2_666 ? C13B O5 C33B 103.5(8) 1_554 2_666 ? S9A O5 C33B 103.5(8) 1_554 2_666 ? C32A O5 C33B 65.5(6) . 2_666 ? Re2 O5 S21A 163.6(14) . 2_666 ? O6 O5 S21A 138.2(10) . 2_666 ? O7 O5 S21A 161.1(12) . 2_666 ? O8 O5 S21A 131.2(11) . 2_666 ? C35 O5 S21A 31.5(5) 2_666 2_666 ? C48 O5 S21A 75.7(10) 2_665 2_666 ? C13B O5 S21A 103.5(8) 1_554 2_666 ? S9A O5 S21A 103.5(8) 1_554 2_666 ? C32A O5 S21A 65.5(6) . 2_666 ? C33B O5 S21A 0.0(5) 2_666 2_666 ? Re2 O5 S27A 100.7(12) . . ? O6 O5 S27A 67.3(8) . . ? O7 O5 S27A 123.8(12) . . ? O8 O5 S27A 103.3(13) . . ? C35 O5 S27A 73.9(8) 2_666 . ? C48 O5 S27A 142.8(12) 2_665 . ? C13B O5 S27A 110.1(9) 1_554 . ? S9A O5 S27A 110.1(9) 1_554 . ? C32A O5 S27A 78.1(6) . . ? C33B O5 S27A 71.0(6) 2_666 . ? S21A O5 S27A 71.0(6) 2_666 . ? Re2 O5 C47 102.3(13) . 2_665 ? O6 O5 C47 135.0(12) . 2_665 ? O7 O5 C47 76.7(10) . 2_665 ? O8 O5 C47 95.7(15) . 2_665 ? C35 O5 C47 84.2(12) 2_666 2_665 ? C48 O5 C47 25.1(9) 2_665 2_665 ? C13B O5 C47 68.5(9) 1_554 2_665 ? S9A O5 C47 68.5(9) 1_554 2_665 ? C32A O5 C47 98.5(11) . 2_665 ? C33B O5 C47 86.9(11) 2_666 2_665 ? S21A O5 C47 86.9(11) 2_666 2_665 ? S27A O5 C47 157.1(13) . 2_665 ? Re2 O5 C45 96.2(14) . . ? O6 O5 C45 61.9(9) . . ? O7 O5 C45 105.2(12) . . ? O8 O5 C45 115.6(15) . . ? C35 O5 C45 70.2(10) 2_666 . ? C48 O5 C45 156.4(14) 2_665 . ? C13B O5 C45 81.9(9) 1_554 . ? S9A O5 C45 81.9(9) 1_554 . ? C32A O5 C45 106.9(9) . . ? C33B O5 C45 83.1(8) 2_666 . ? S21A O5 C45 83.1(8) 2_666 . ? S27A O5 C45 28.9(6) . . ? C47 O5 C45 145.5(14) 2_665 . ? Re2 O6 O8 37.2(11) . . ? Re2 O6 O7 36.0(8) . . ? O8 O6 O7 62.8(11) . . ? Re2 O6 O5 35.8(9) . . ? O8 O6 O5 61.3(12) . . ? O7 O6 O5 61.2(9) . . ? Re2 O6 C45 106.2(13) . . ? O8 O6 C45 126.6(14) . . ? O7 O6 C45 113.6(13) . . ? O5 O6 C45 71.1(10) . . ? Re2 O6 C25 117.2(14) . 1_554 ? O8 O6 C25 87.5(13) . 1_554 ? O7 O6 C25 106.9(11) . 1_554 ? O5 O6 C25 148.7(12) . 1_554 ? C45 O6 C25 135.7(12) . 1_554 ? Re2 O6 S3B 110.5(13) . 1_554 ? O8 O6 S3B 140.4(13) . 1_554 ? O7 O6 S3B 78.5(9) . 1_554 ? O5 O6 S3B 107.8(11) . 1_554 ? C45 O6 S3B 75.1(9) . 1_554 ? C25 O6 S3B 96.7(9) 1_554 1_554 ? Re2 O6 C4A 110.5(13) . 1_554 ? O8 O6 C4A 140.4(13) . 1_554 ? O7 O6 C4A 78.5(9) . 1_554 ? O5 O6 C4A 107.8(11) . 1_554 ? C45 O6 C4A 75.1(9) . 1_554 ? C25 O6 C4A 96.7(9) 1_554 1_554 ? S3B O6 C4A 0.0(13) 1_554 1_554 ? Re2 O6 C23B 120.9(12) . 1_554 ? O8 O6 C23B 106.5(12) . 1_554 ? O7 O6 C23B 93.7(9) . 1_554 ? O5 O6 C23B 154.8(10) . 1_554 ? C45 O6 C23B 126.7(11) . 1_554 ? C25 O6 C23B 31.0(5) 1_554 1_554 ? S3B O6 C23B 66.5(6) 1_554 1_554 ? C4A O6 C23B 66.5(6) 1_554 1_554 ? Re2 O6 S15A 120.9(12) . 1_554 ? O8 O6 S15A 106.5(12) . 1_554 ? O7 O6 S15A 93.7(9) . 1_554 ? O5 O6 S15A 154.8(10) . 1_554 ? C45 O6 S15A 126.7(11) . 1_554 ? C25 O6 S15A 31.0(5) 1_554 1_554 ? S3B O6 S15A 66.5(6) 1_554 1_554 ? C4A O6 S15A 66.5(6) 1_554 1_554 ? C23B O6 S15A 0.0(6) 1_554 1_554 ? Re2 O6 S27A 99.7(11) . . ? O8 O6 S27A 103.9(11) . . ? O7 O6 S27A 124.4(11) . . ? O5 O6 S27A 65.5(7) . . ? C45 O6 S27A 29.7(6) . . ? C25 O6 S27A 127.1(10) 1_554 . ? S3B O6 S27A 104.5(8) 1_554 . ? C4A O6 S27A 104.5(8) 1_554 . ? C23B O6 S27A 139.2(9) 1_554 . ? S15A O6 S27A 139.2(9) 1_554 . ? Re2 O6 S15B 102.3(13) . 2_566 ? O8 O6 S15B 71.3(11) . 2_566 ? O7 O6 S15B 134.1(12) . 2_566 ? O5 O6 S15B 96.3(10) . 2_566 ? C45 O6 S15B 92.3(9) . 2_566 ? C25 O6 S15B 70.8(8) 1_554 2_566 ? S3B O6 S15B 146.9(10) 1_554 2_566 ? C4A O6 S15B 146.9(10) 1_554 2_566 ? C23B O6 S15B 100.2(9) 1_554 2_566 ? S15A O6 S15B 100.2(9) 1_554 2_566 ? S27A O6 S15B 65.0(6) . 2_566 ? Re2 O6 C23A 102.3(13) . 2_566 ? O8 O6 C23A 71.3(11) . 2_566 ? O7 O6 C23A 134.1(12) . 2_566 ? O5 O6 C23A 96.3(10) . 2_566 ? C45 O6 C23A 92.3(9) . 2_566 ? C25 O6 C23A 70.8(8) 1_554 2_566 ? S3B O6 C23A 146.9(10) 1_554 2_566 ? C4A O6 C23A 146.9(10) 1_554 2_566 ? C23B O6 C23A 100.2(9) 1_554 2_566 ? S15A O6 C23A 100.2(9) 1_554 2_566 ? S27A O6 C23A 65.0(6) . 2_566 ? S15B O6 C23A 0.0(16) 2_566 2_566 ? Re2 O6 C49 162.2(15) . 2_565 ? O8 O6 C49 132.3(14) . 2_565 ? O7 O6 C49 161.8(13) . 2_565 ? O5 O6 C49 132.0(11) . 2_565 ? C45 O6 C49 67.8(10) . 2_565 ? C25 O6 C49 68.0(10) 1_554 2_565 ? S3B O6 C49 84.7(10) 1_554 2_565 ? C4A O6 C49 84.7(10) 1_554 2_565 ? C23B O6 C49 73.0(9) 1_554 2_565 ? S15A O6 C49 73.0(9) 1_554 2_565 ? S27A O6 C49 66.5(8) . 2_565 ? S15B O6 C49 62.3(9) 2_566 2_565 ? C23A O6 C49 62.3(9) 2_566 2_565 ? Re2 O7 O6 35.7(8) . . ? Re2 O7 O5 35.0(8) . . ? O6 O7 O5 60.0(9) . . ? Re2 O7 O8 33.6(9) . . ? O6 O7 O8 58.2(12) . . ? O5 O7 O8 59.4(10) . . ? Re2 O7 S7 151.8(12) . 1_554 ? O6 O7 S7 124.8(11) . 1_554 ? O5 O7 S7 126.3(10) . 1_554 ? O8 O7 S7 174.1(11) . 1_554 ? Re2 O7 C13B 98.2(9) . 1_554 ? O6 O7 C13B 98.0(10) . 1_554 ? O5 O7 C13B 67.2(8) . 1_554 ? O8 O7 C13B 126.4(10) . 1_554 ? S7 O7 C13B 59.2(5) 1_554 1_554 ? Re2 O7 S9A 98.2(9) . 1_554 ? O6 O7 S9A 98.0(10) . 1_554 ? O5 O7 S9A 67.2(8) . 1_554 ? O8 O7 S9A 126.4(10) . 1_554 ? S7 O7 S9A 59.2(5) 1_554 1_554 ? C13B O7 S9A 0.0(7) 1_554 1_554 ? Re2 O7 C44 100.4(10) . 1_554 ? O6 O7 C44 94.5(10) . 1_554 ? O5 O7 C44 131.9(11) . 1_554 ? O8 O7 C44 72.6(10) . 1_554 ? S7 O7 C44 101.8(8) 1_554 1_554 ? C13B O7 C44 160.9(9) 1_554 1_554 ? S9A O7 C44 160.9(9) 1_554 1_554 ? Re2 O7 C42B 125.7(11) . 1_554 ? O6 O7 C42B 106.1(10) . 1_554 ? O5 O7 C42B 160.4(11) . 1_554 ? O8 O7 C42B 102.0(10) . 1_554 ? S7 O7 C42B 72.5(5) 1_554 1_554 ? C13B O7 C42B 131.4(8) 1_554 1_554 ? S9A O7 C42B 131.4(8) 1_554 1_554 ? C44 O7 C42B 30.0(5) 1_554 1_554 ? Re2 O7 S26A 125.7(11) . 1_554 ? O6 O7 S26A 106.1(10) . 1_554 ? O5 O7 S26A 160.4(11) . 1_554 ? O8 O7 S26A 102.0(10) . 1_554 ? S7 O7 S26A 72.5(5) 1_554 1_554 ? C13B O7 S26A 131.4(8) 1_554 1_554 ? S9A O7 S26A 131.4(8) 1_554 1_554 ? C44 O7 S26A 30.0(5) 1_554 1_554 ? C42B O7 S26A 0.0(6) 1_554 1_554 ? Re2 O7 C11 123.9(11) . 1_554 ? O6 O7 C11 110.5(11) . 1_554 ? O5 O7 C11 95.9(10) . 1_554 ? O8 O7 C11 155.2(11) . 1_554 ? S7 O7 C11 30.6(6) 1_554 1_554 ? C13B O7 C11 29.0(6) 1_554 1_554 ? S9A O7 C11 29.0(6) 1_554 1_554 ? C44 O7 C11 132.2(10) 1_554 1_554 ? C42B O7 C11 102.4(8) 1_554 1_554 ? S26A O7 C11 102.4(8) 1_554 1_554 ? Re2 O7 C32B 131.3(11) . 2_665 ? O6 O7 C32B 158.5(11) . 2_665 ? O5 O7 C32B 120.8(11) . 2_665 ? O8 O7 C32B 102.5(11) . 2_665 ? S7 O7 C32B 73.6(5) 1_554 2_665 ? C13B O7 C32B 101.7(7) 1_554 2_665 ? S9A O7 C32B 101.7(7) 1_554 2_665 ? C44 O7 C32B 68.9(7) 1_554 2_665 ? C42B O7 C32B 66.5(5) 1_554 2_665 ? S26A O7 C32B 66.5(5) 1_554 2_665 ? C11 O7 C32B 91.0(8) 1_554 2_665 ? Re2 O7 S20A 131.3(11) . 2_665 ? O6 O7 S20A 158.5(11) . 2_665 ? O5 O7 S20A 120.8(11) . 2_665 ? O8 O7 S20A 102.5(11) . 2_665 ? S7 O7 S20A 73.6(5) 1_554 2_665 ? C13B O7 S20A 101.7(7) 1_554 2_665 ? S9A O7 S20A 101.7(7) 1_554 2_665 ? C44 O7 S20A 68.9(7) 1_554 2_665 ? C42B O7 S20A 66.5(5) 1_554 2_665 ? S26A O7 S20A 66.5(5) 1_554 2_665 ? C11 O7 S20A 91.0(8) 1_554 2_665 ? C32B O7 S20A 0.0(7) 2_665 2_665 ? Re2 O7 S3B 91.2(9) . 1_554 ? O6 O7 S3B 58.6(8) . 1_554 ? O5 O7 S3B 94.9(9) . 1_554 ? O8 O7 S3B 116.3(12) . 1_554 ? S7 O7 S3B 66.2(6) 1_554 1_554 ? C13B O7 S3B 69.6(6) 1_554 1_554 ? S9A O7 S3B 69.6(6) 1_554 1_554 ? C44 O7 S3B 105.4(9) 1_554 1_554 ? C42B O7 S3B 87.9(6) 1_554 1_554 ? S26A O7 S3B 87.9(6) 1_554 1_554 ? C11 O7 S3B 60.7(7) 1_554 1_554 ? C32B O7 S3B 137.4(7) 2_665 1_554 ? S20A O7 S3B 137.4(7) 2_665 1_554 ? Re2 O7 C4A 91.2(9) . 1_554 ? O6 O7 C4A 58.6(8) . 1_554 ? O5 O7 C4A 94.9(9) . 1_554 ? O8 O7 C4A 116.3(12) . 1_554 ? S7 O7 C4A 66.2(6) 1_554 1_554 ? C13B O7 C4A 69.6(6) 1_554 1_554 ? S9A O7 C4A 69.6(6) 1_554 1_554 ? C44 O7 C4A 105.4(9) 1_554 1_554 ? C42B O7 C4A 87.9(6) 1_554 1_554 ? S26A O7 C4A 87.9(6) 1_554 1_554 ? C11 O7 C4A 60.7(7) 1_554 1_554 ? C32B O7 C4A 137.4(7) 2_665 1_554 ? S20A O7 C4A 137.4(7) 2_665 1_554 ? S3B O7 C4A 0.0(11) 1_554 1_554 ? Re2 O8 O6 36.6(11) . . ? Re2 O8 O5 35.5(9) . . ? O6 O8 O5 60.5(10) . . ? Re2 O8 O7 33.3(8) . . ? O6 O8 O7 59.0(9) . . ? O5 O8 O7 59.8(9) . . ? Re2 O8 C34 127.3(17) . . ? O6 O8 C34 123.7(16) . . ? O5 O8 C34 93.3(12) . . ? O7 O8 C34 148.8(17) . . ? Re2 O8 O 140.5(19) . . ? O6 O8 O 114.0(17) . . ? O5 O8 O 174.4(19) . . ? O7 O8 O 119.0(13) . . ? C34 O8 O 89.3(9) . . ? Re2 O8 C32A 98.8(13) . . ? O6 O8 C32A 102.5(12) . . ? O5 O8 C32A 65.1(9) . . ? O7 O8 C32A 123.7(12) . . ? C34 O8 C32A 28.6(6) . . ? O O8 C32A 117.0(9) . . ? Re2 O8 C48 155.5(18) . . ? O6 O8 C48 139.1(19) . . ? O5 O8 C48 160(2) . . ? O7 O8 C48 123.4(15) . . ? C34 O8 C48 76.6(11) . . ? O O8 C48 25.3(8) . . ? C32A O8 C48 104.9(10) . . ? Re2 O8 S15B 96.2(17) . 2_566 ? O6 O8 S15B 65.4(12) . 2_566 ? O5 O8 S15B 92.6(12) . 2_566 ? O7 O8 S15B 124.4(14) . 2_566 ? C34 O8 S15B 67.5(10) . 2_566 ? O O8 S15B 83.8(11) . 2_566 ? C32A O8 S15B 66.8(8) . 2_566 ? C48 O8 S15B 98.8(12) . 2_566 ? Re2 O8 C23A 96.2(17) . 2_566 ? O6 O8 C23A 65.4(12) . 2_566 ? O5 O8 C23A 92.6(12) . 2_566 ? O7 O8 C23A 124.4(14) . 2_566 ? C34 O8 C23A 67.5(10) . 2_566 ? O O8 C23A 83.8(11) . 2_566 ? C32A O8 C23A 66.8(8) . 2_566 ? C48 O8 C23A 98.8(12) . 2_566 ? S15B O8 C23A 0.0(15) 2_566 2_566 ? Re2 O8 C44 88.9(12) . 1_554 ? O6 O8 C44 88.0(11) . 1_554 ? O5 O8 C44 120.4(10) . 1_554 ? O7 O8 C44 60.7(8) . 1_554 ? C34 O8 C44 143.3(11) . 1_554 ? O O8 C44 58.5(8) . 1_554 ? C32A O8 C44 169.4(14) . 1_554 ? C48 O8 C44 66.8(10) . 1_554 ? S15B O8 C44 120.0(13) 2_566 1_554 ? C23A O8 C44 120.0(13) 2_566 1_554 ? Re2 O8 C25 116(2) . 2_566 ? O6 O8 C25 80.8(14) . 2_566 ? O5 O8 C25 117.1(14) . 2_566 ? O7 O8 C25 135.9(16) . 2_566 ? C34 O8 C25 68.2(10) . 2_566 ? O O8 C25 59.4(9) . 2_566 ? C32A O8 C25 79.5(9) . 2_566 ? C48 O8 C25 75.1(11) . 2_566 ? S15B O8 C25 24.5(6) 2_566 2_566 ? C23A O8 C25 24.5(6) 2_566 2_566 ? C44 O8 C25 103.9(11) 1_554 2_566 ? C49 O C48 99(3) . . ? C49 O C47 69(2) . . ? C48 O C47 40(2) . . ? C49 O C46 33(2) . . ? C48 O C46 74(2) . . ? C47 O C46 37.3(14) . . ? C49 O S26B 112(2) . 1_554 ? C48 O S26B 94(2) . 1_554 ? C47 O S26B 129.0(15) . 1_554 ? C46 O S26B 133.0(15) . 1_554 ? C49 O C42A 112(2) . 1_554 ? C48 O C42A 94(2) . 1_554 ? C47 O C42A 129.0(15) . 1_554 ? C46 O C42A 133.0(15) . 1_554 ? S26B O C42A 0.0(12) 1_554 1_554 ? C49 O O8 155(2) . . ? C48 O O8 76(2) . . ? C47 O O8 94.1(17) . . ? C46 O O8 125.4(17) . . ? S26B O O8 93.2(10) 1_554 . ? C42A O O8 93.2(10) 1_554 . ? C49 O S15B 96(2) . 1_554 ? C48 O S15B 164(3) . 1_554 ? C47 O S15B 154.3(17) . 1_554 ? C46 O S15B 122.0(19) . 1_554 ? S26B O S15B 75.2(8) 1_554 1_554 ? C42A O S15B 75.2(8) 1_554 1_554 ? O8 O S15B 92.7(11) . 1_554 ? C49 O C23A 96(2) . 1_554 ? C48 O C23A 164(3) . 1_554 ? C47 O C23A 154.3(17) . 1_554 ? C46 O C23A 122.0(19) . 1_554 ? S26B O C23A 75.2(8) 1_554 1_554 ? C42A O C23A 75.2(8) 1_554 1_554 ? O8 O C23A 92.7(11) . 1_554 ? S15B O C23A 0.0(16) 1_554 1_554 ? C49 O C44 140(2) . 1_554 ? C48 O C44 95(2) . 1_554 ? C47 O C44 135.0(19) . 1_554 ? C46 O C44 159.9(16) . 1_554 ? S26B O C44 29.2(6) 1_554 1_554 ? C42A O C44 29.2(6) 1_554 1_554 ? O8 O C44 65.4(9) . 1_554 ? S15B O C44 70.0(9) 1_554 1_554 ? C23A O C44 70.0(9) 1_554 1_554 ? C49 O C25 94(2) . 2_566 ? C48 O C25 113(2) . 2_566 ? C47 O C25 89.8(14) . 2_566 ? C46 O C25 85.9(14) . 2_566 ? S26B O C25 138.5(11) 1_554 2_566 ? C42A O C25 138.5(11) 1_554 2_566 ? O8 O C25 66.4(10) . 2_566 ? S15B O C25 70.4(8) 1_554 2_566 ? C23A O C25 70.4(8) 1_554 2_566 ? C44 O C25 114.1(10) 1_554 2_566 ? C49 C46 C47 103(4) . . ? C49 C46 O 35(2) . . ? C47 C46 O 70(3) . . ? C49 C46 C48 66(3) . . ? C47 C46 C48 38(2) . . ? O C46 C48 36.4(13) . . ? C49 C46 O1 102(3) . 1_565 ? C47 C46 O1 143(3) . 1_565 ? O C46 O1 136(2) . 1_565 ? C48 C46 O1 146(2) . 1_565 ? C49 C46 C12A 161(4) . 1_565 ? C47 C46 C12A 83(3) . 1_565 ? O C46 C12A 140.4(19) . 1_565 ? C48 C46 C12A 120(2) . 1_565 ? O1 C46 C12A 82.0(11) 1_565 1_565 ? C49 C46 S8B 161(4) . 1_565 ? C47 C46 S8B 83(3) . 1_565 ? O C46 S8B 140.4(19) . 1_565 ? C48 C46 S8B 120(2) . 1_565 ? O1 C46 S8B 82.0(11) 1_565 1_565 ? C12A C46 S8B 0.0(11) 1_565 1_565 ? C49 C46 S15A 96(3) . 2_566 ? C47 C46 S15A 91(3) . 2_566 ? O C46 S15A 85.6(14) . 2_566 ? C48 C46 S15A 99.7(17) . 2_566 ? O1 C46 S15A 113.4(13) 1_565 2_566 ? C12A C46 S15A 65.1(8) 1_565 2_566 ? S8B C46 S15A 65.1(8) 1_565 2_566 ? C49 C46 C23B 96(3) . 2_566 ? C47 C46 C23B 91(3) . 2_566 ? O C46 C23B 85.6(14) . 2_566 ? C48 C46 C23B 99.7(17) . 2_566 ? O1 C46 C23B 113.4(13) 1_565 2_566 ? C12A C46 C23B 65.1(8) 1_565 2_566 ? S8B C46 C23B 65.1(8) 1_565 2_566 ? S15A C46 C23B 0.0(5) 2_566 2_566 ? C49 C46 H46A 111.2 . . ? C47 C46 H46A 111.2 . . ? O C46 H46A 112.9 . . ? C48 C46 H46A 129.4 . . ? O1 C46 H46A 84.3 1_565 . ? C12A C46 H46A 49.9 1_565 . ? S8B C46 H46A 49.9 1_565 . ? S15A C46 H46A 30.2 2_566 . ? C23B C46 H46A 30.2 2_566 . ? C49 C46 H46B 111.1 . . ? C47 C46 H46B 111.1 . . ? O C46 H46B 133.8 . . ? C48 C46 H46B 119.0 . . ? O1 C46 H46B 33.0 1_565 . ? C12A C46 H46B 82.7 1_565 . ? S8B C46 H46B 82.7 1_565 . ? S15A C46 H46B 139.0 2_566 . ? C23B C46 H46B 139.0 2_566 . ? H46A C46 H46B 109.1 . . ? C48 C47 C46 106(4) . . ? C48 C47 C49 69(3) . . ? C46 C47 C49 37(2) . . ? C48 C47 O 39(2) . . ? C46 C47 O 72(3) . . ? C49 C47 O 36.8(13) . . ? C48 C47 O5 72(3) . 2_665 ? C46 C47 O5 136(3) . 2_665 ? C49 C47 O5 124.3(18) . 2_665 ? O C47 O5 109.6(17) . 2_665 ? C48 C47 C34 89(3) . . ? C46 C47 C34 130(3) . . ? C49 C47 C34 123(2) . . ? O C47 C34 95.6(17) . . ? O5 C47 C34 94.4(14) 2_665 . ? C48 C47 C12A 170(3) . 1_565 ? C46 C47 C12A 74(3) . 1_565 ? C49 C47 C12A 109(2) . 1_565 ? O C47 C12A 135.0(19) . 1_565 ? O5 C47 C12A 115.3(13) 2_665 1_565 ? C34 C47 C12A 84.3(10) . 1_565 ? C48 C47 S8B 170(3) . 1_565 ? C46 C47 S8B 74(3) . 1_565 ? C49 C47 S8B 109(2) . 1_565 ? O C47 S8B 135.0(19) . 1_565 ? O5 C47 S8B 115.3(13) 2_665 1_565 ? C34 C47 S8B 84.3(10) . 1_565 ? C12A C47 S8B 0.0(11) 1_565 1_565 ? C48 C47 S9A 124(3) . 2_666 ? C46 C47 S9A 106(3) . 2_666 ? C49 C47 S9A 132(2) . 2_666 ? O C47 S9A 154.4(17) . 2_666 ? O5 C47 S9A 53.4(8) 2_665 2_666 ? C34 C47 S9A 104.2(12) . 2_666 ? C12A C47 S9A 64.4(8) 1_565 2_666 ? S8B C47 S9A 64.4(8) 1_565 2_666 ? C48 C47 C13B 124(3) . 2_666 ? C46 C47 C13B 106(3) . 2_666 ? C49 C47 C13B 132(2) . 2_666 ? O C47 C13B 154.4(17) . 2_666 ? O5 C47 C13B 53.4(8) 2_665 2_666 ? C34 C47 C13B 104.2(12) . 2_666 ? C12A C47 C13B 64.4(8) 1_565 2_666 ? S8B C47 C13B 64.4(8) 1_565 2_666 ? S9A C47 C13B 0.0(7) 2_666 2_666 ? C48 C47 H47A 110.8 . . ? C46 C47 H47A 110.7 . . ? C49 C47 H47A 129.1 . . ? O C47 H47A 142.1 . . ? O5 C47 H47A 40.8 2_665 . ? C34 C47 H47A 107.7 . . ? C12A C47 H47A 78.1 1_565 . ? S8B C47 H47A 78.1 1_565 . ? S9A C47 H47A 13.7 2_666 . ? C13B C47 H47A 13.7 2_666 . ? C48 C47 H47B 110.5 . . ? C46 C47 H47B 110.6 . . ? C49 C47 H47B 118.8 . . ? O C47 H47B 104.7 . . ? O5 C47 H47B 111.5 2_665 . ? C34 C47 H47B 24.4 . . ? C12A C47 H47B 61.7 1_565 . ? S8B C47 H47B 61.7 1_565 . ? S9A C47 H47B 99.9 2_666 . ? C13B C47 H47B 99.9 2_666 . ? H47A C47 H47B 108.8 . . ? C47 C48 O 102(3) . . ? C47 C48 C49 71(3) . . ? O C48 C49 39.9(19) . . ? C47 C48 C46 37(2) . . ? O C48 C46 70(2) . . ? C49 C48 C46 34.4(14) . . ? C47 C48 O5 83(3) . 2_665 ? O C48 O5 165(3) . 2_665 ? C49 C48 O5 132(2) . 2_665 ? C46 C48 O5 108(2) . 2_665 ? C47 C48 O8 116(3) . . ? O C48 O8 79(2) . . ? C49 C48 O8 115(2) . . ? C46 C48 O8 125(2) . . ? O5 C48 O8 112.8(17) 2_665 . ? C47 C48 S26B 150(3) . 1_554 ? O C48 S26B 62(2) . 1_554 ? C49 C48 S26B 81.6(18) . 1_554 ? C46 C48 S26B 114(2) . 1_554 ? O5 C48 S26B 107.7(13) 2_665 1_554 ? O8 C48 S26B 86.6(11) . 1_554 ? C47 C48 C42A 150(3) . 1_554 ? O C48 C42A 62(2) . 1_554 ? C49 C48 C42A 81.6(18) . 1_554 ? C46 C48 C42A 114(2) . 1_554 ? O5 C48 C42A 107.7(13) 2_665 1_554 ? O8 C48 C42A 86.6(11) . 1_554 ? S26B C48 C42A 0.0(10) 1_554 1_554 ? C47 C48 C44 164(3) . 1_554 ? O C48 C44 63(2) . 1_554 ? C49 C48 C44 96(2) . 1_554 ? C46 C48 C44 130(2) . 1_554 ? O5 C48 C44 113.2(13) 2_665 1_554 ? O8 C48 C44 61.0(10) . 1_554 ? S26B C48 C44 25.8(5) 1_554 1_554 ? C42A C48 C44 25.8(5) 1_554 1_554 ? C47 C48 H48A 111.5 . . ? O C48 H48A 111.5 . . ? C49 C48 H48A 147.1 . . ? C46 C48 H48A 141.2 . . ? O5 C48 H48A 79.9 2_665 . ? O8 C48 H48A 33.0 . . ? S26B C48 H48A 98.3 1_554 . ? C42A C48 H48A 98.3 1_554 . ? C44 C48 H48A 74.9 1_554 . ? C47 C48 H48B 111.3 . . ? O C48 H48B 111.4 . . ? C49 C48 H48B 99.1 . . ? C46 C48 H48B 105.3 . . ? O5 C48 H48B 53.7 2_665 . ? O8 C48 H48B 128.1 . . ? S26B C48 H48B 60.0 1_554 . ? C42A C48 H48B 60.0 1_554 . ? C44 C48 H48B 78.7 1_554 . ? H48A C48 H48B 109.3 . . ? C46 C49 O 113(4) . . ? C46 C49 C48 80(3) . . ? O C49 C48 41(2) . . ? C46 C49 C47 40(3) . . ? O C49 C47 74(2) . . ? C48 C49 C47 39.6(15) . . ? C46 C49 O6 100(3) . 2_565 ? O C49 O6 105(3) . 2_565 ? C48 C49 O6 136(2) . 2_565 ? C47 C49 O6 122.4(18) . 2_565 ? C46 C49 S15B 149(3) . 1_554 ? O C49 S15B 62(2) . 1_554 ? C48 C49 S15B 103.1(19) . 1_554 ? C47 C49 S15B 132(2) . 1_554 ? O6 C49 S15B 56.8(9) 2_565 1_554 ? C46 C49 C23A 149(3) . 1_554 ? O C49 C23A 62(2) . 1_554 ? C48 C49 C23A 103.1(19) . 1_554 ? C47 C49 C23A 132(2) . 1_554 ? O6 C49 C23A 56.8(9) 2_565 1_554 ? S15B C49 C23A 0.0(14) 1_554 1_554 ? C46 C49 C24 101(3) . 2_565 ? O C49 C24 124(2) . 2_565 ? C48 C49 C24 111(2) . 2_565 ? C47 C49 C24 114.5(19) . 2_565 ? O6 C49 C24 112.3(13) 2_565 2_565 ? S15B C49 C24 106.5(12) 1_554 2_565 ? C23A C49 C24 106.5(12) 1_554 2_565 ? C46 C49 H49A 109.1 . . ? O C49 H49A 109.1 . . ? C48 C49 H49A 99.3 . . ? C47 C49 H49A 112.1 . . ? O6 C49 H49A 121.3 2_565 . ? S15B C49 H49A 101.2 1_554 . ? C23A C49 H49A 101.2 1_554 . ? C24 C49 H49A 14.7 2_565 . ? C46 C49 H49B 109.0 . . ? O C49 H49B 109.0 . . ? C48 C49 H49B 146.2 . . ? C47 C49 H49B 136.1 . . ? O6 C49 H49B 13.9 2_565 . ? S15B C49 H49B 52.7 1_554 . ? C23A C49 H49B 52.7 1_554 . ? C24 C49 H49B 99.8 2_565 . ? H49A C49 H49B 107.8 . . ? _diffrn_measured_fraction_theta_max 0.320 _diffrn_reflns_theta_full 23.98 _diffrn_measured_fraction_theta_full 0.320 _refine_diff_density_max 0.762 _refine_diff_density_min -0.830 _refine_diff_density_rms 0.151