Electronic Supplementary Material for CrystEngComm This Journal is (c) The Royal Society of Chemistry 2006 data_global _journal_name_full CrystEngComm _journal_coden_Cambridge 1350 _publ_contact_author_name 'Mohamed Makha' _publ_contact_author_address ; School of Biomedical, Biomolecular and Chemical Sciences The University of Western Australia 35 Stirling Hwy Crawely Nedlans Perth WA 6009 AUSTRALIA ; _publ_contact_author_email MMAKHA@CHEM.UWA.EDU.AU _publ_section_title ; Endo- versus exo-cavity interplay of p-benzylcalix[4]arene with spheroidal molecules ; _publ_section_synopsis ; ? ; _publ_section_abstract ; p-Benzylcalix[4]arene forms inclusion complexes with o-carborane and C60 wherein the icosahedral molecules reside endo- or exo-realtive to the calixarene cavity. In the extended strucutres the o-carboranes are arranged in pairs whereas the fullerenes are packed into novel flat sheets with each calixarene nestled into a cavity created by a square array of fullerenes. ; loop_ _publ_author_name 'Mohamed Makha' 'L. Barbour' 'Colin Raston' 'Alexander N. Sobolev' 'Peter Turner' # 6. CRYSTALLOGRAPHY data_cmc182t _database_code_depnum_ccdc_archive 'CCDC 290286' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety '(C56 H48 O4), 2(C60), H2 O' _chemical_formula_sum 'C176 H50 O5' _chemical_formula_weight 2244.16 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0015 0.0009 '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' O O 0.0056 0.0036 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting Tetragonal _symmetry_space_group_name_H-M 'P 4/n c c' _symmetry_space_group_name_Hall '-P 4a 2ac' loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x+1/2, -y+1/2, z' '-y+1/2, x, z' 'y, -x+1/2, z' '-x, y+1/2, -z+1/2' 'x+1/2, -y, -z+1/2' 'y+1/2, x+1/2, -z+1/2' '-y, -x, -z+1/2' '-x, -y, -z' 'x-1/2, y-1/2, -z' 'y-1/2, -x, -z' '-y, x-1/2, -z' 'x, -y-1/2, z-1/2' '-x-1/2, y, z-1/2' '-y-1/2, -x-1/2, z-1/2' 'y, x, z-1/2' _cell_length_a 19.257(1) _cell_length_b 19.257 _cell_length_c 27.718(2) _cell_angle_alpha 90.0 _cell_angle_beta 90.0 _cell_angle_gamma 90.0 _cell_volume 10278.7(9) _cell_formula_units_Z 4 _cell_measurement_temperature 153(2) _cell_measurement_reflns_used 7725 _cell_measurement_theta_min 2.3 _cell_measurement_theta_max 20.0 _exptl_crystal_description ? _exptl_crystal_colour ? _exptl_crystal_size_max 0.10 _exptl_crystal_size_mid 0.10 _exptl_crystal_size_min 0.04 _exptl_crystal_density_meas 'not measured' _exptl_crystal_density_diffrn 1.450 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 4584 _exptl_absorpt_coefficient_mu 0.056 _exptl_absorpt_correction_type none _exptl_absorpt_correction_T_min 0.9944 _exptl_absorpt_correction_T_max 0.9978 _exptl_absorpt_process_details ? _exptl_special_details ; ? ; _diffrn_ambient_temperature 153(2) _diffrn_radiation_wavelength 0.55000 _diffrn_radiation_type synchrotron _diffrn_radiation_source synchrotron _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type 'Bruker AXS CCD' _diffrn_measurement_method '\w scans' _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 148301 _diffrn_reflns_av_R_equivalents 0.0709 _diffrn_reflns_av_sigmaI/netI 0.0201 _diffrn_reflns_limit_h_min -23 _diffrn_reflns_limit_h_max 23 _diffrn_reflns_limit_k_min -23 _diffrn_reflns_limit_k_max 23 _diffrn_reflns_limit_l_min -34 _diffrn_reflns_limit_l_max 34 _diffrn_reflns_theta_min 1.92 _diffrn_reflns_theta_max 20.00 _reflns_number_total 5164 _reflns_number_gt 4655 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'Bruker SMART' _computing_cell_refinement 'Bruker SAINT' _computing_data_reduction 'Bruker SAINT' _computing_structure_solution 'Bruker SHELXTL, v. 5.1' _computing_structure_refinement 'Bruker SHELXTL, v. 5.1' _computing_molecular_graphics 'Bruker SHELXTL, v. 5.1' _computing_publication_material 'Bruker SHELXTL, v. 5.1' _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 _refine_ls_weighting_details 'calc w=1/[\s^2^(Fo^2^)+(0.2850P)^2^+32.0000P] 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 constr _refine_ls_extinction_method SHELXL _refine_ls_extinction_coef 0.0026(12) _refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^ _refine_ls_number_reflns 5164 _refine_ls_number_parameters 630 _refine_ls_number_restraints 540 _refine_ls_R_factor_all 0.1367 _refine_ls_R_factor_gt 0.1293 _refine_ls_wR_factor_ref 0.3816 _refine_ls_wR_factor_gt 0.3701 _refine_ls_goodness_of_fit_ref 0.967 _refine_ls_restrained_S_all 0.947 _refine_ls_shift/su_max 0.008 _refine_ls_shift/su_mean 0.000 loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_symmetry_multiplicity _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group O1 O 0.16711(11) 0.20219(11) 0.11908(7) 0.0169(5) Uani 1 1 d . . . H1 H 0.1651 0.2456 0.1220 0.025 Uiso 1 1 calc R . . C1 C 0.13211(14) 0.18212(15) 0.07745(10) 0.0149(6) Uani 1 1 d . . . C2 C 0.14553(15) 0.11653(15) 0.05814(11) 0.0179(7) Uani 1 1 d . . . C3 C 0.10656(17) 0.09606(17) 0.01831(12) 0.0248(7) Uani 1 1 d . . . H3 H 0.1145 0.0515 0.0047 0.030 Uiso 1 1 calc R . . C4 C 0.05649(18) 0.13856(19) -0.00223(13) 0.0286(8) Uani 1 1 d . . . C5 C 0.04493(17) 0.20385(18) 0.01791(12) 0.0238(7) Uani 1 1 d . . . H5 H 0.0109 0.2334 0.0040 0.029 Uiso 1 1 calc R . . C6 C 0.08217(15) 0.22692(15) 0.05807(11) 0.0165(7) Uani 1 1 d . . . C7 C 0.20102(15) 0.06893(15) 0.07896(11) 0.0178(7) Uani 1 1 d . . . H71 H 0.1878 0.0201 0.0726 0.021 Uiso 1 1 calc R . . H72 H 0.2028 0.0754 0.1144 0.021 Uiso 1 1 calc R . . C8 C 0.0162(2) 0.1154(2) -0.04667(14) 0.0390(10) Uani 1 1 d . . . H81 H 0.0335 0.1419 -0.0749 0.047 Uiso 1 1 calc R . . H82 H 0.0263 0.0657 -0.0526 0.047 Uiso 1 1 calc R . . C9 C -0.06166(17) 0.12474(16) -0.04353(12) 0.0239(7) Uani 1 1 d . . . C10 C -0.0989(2) 0.1044(2) -0.00361(14) 0.0366(10) Uani 1 1 d . . . H10 H -0.0751 0.0850 0.0232 0.044 Uiso 1 1 calc R . . C11 C -0.1698(3) 0.1116(3) -0.00179(17) 0.0507(13) Uani 1 1 d . . . H11 H -0.1944 0.0971 0.0262 0.061 Uiso 1 1 calc R . . C12 C -0.2054(2) 0.1396(3) -0.0400(2) 0.0593(15) Uani 1 1 d . . . H12 H -0.2545 0.1446 -0.0386 0.071 Uiso 1 1 calc R . . C13 C -0.1691(2) 0.1605(3) -0.08066(18) 0.0473(11) Uani 1 1 d . . . H13 H -0.1933 0.1798 -0.1074 0.057 Uiso 1 1 calc R . . C14 C -0.09780(19) 0.15312(18) -0.08230(13) 0.0287(8) Uani 1 1 d . . . H14 H -0.0731 0.1676 -0.1102 0.034 Uiso 1 1 calc R . . C1A C -0.0940(8) 0.4995(8) 0.2777(5) 0.030(4) Uiso 0.25 1 d PD A 1 C2A C -0.0986(7) 0.5127(8) 0.2266(5) 0.023(3) Uiso 0.25 1 d PD A 1 C3A C -0.1057(9) 0.5877(9) 0.2214(5) 0.039(4) Uiso 0.25 1 d PD A 1 C4A C -0.1024(7) 0.6201(7) 0.2691(6) 0.027(3) Uiso 0.25 1 d PD A 1 C5A C -0.0959(9) 0.5635(9) 0.3038(5) 0.028(4) Uiso 0.25 1 d PD A 1 C6A C -0.0562(7) 0.5751(7) 0.3443(5) 0.024(3) Uiso 0.25 1 d PD A 1 C7A C -0.0111(9) 0.5182(8) 0.3602(7) 0.025(5) Uiso 0.25 1 d PD A 1 C8A C -0.0076(8) 0.4564(8) 0.3357(5) 0.022(4) Uiso 0.25 1 d PD A 1 C9A C -0.0511(8) 0.4464(8) 0.2935(5) 0.026(3) Uiso 0.25 1 d PD A 1 C10A C -0.0113(9) 0.4064(9) 0.2590(5) 0.037(4) Uiso 0.25 1 d PD A 1 C11A C -0.0158(8) 0.4188(7) 0.2101(5) 0.019(3) Uiso 0.25 1 d PD A 1 C12A C -0.0592(8) 0.4757(8) 0.1928(5) 0.033(3) Uiso 0.25 1 d PD A 1 C13A C -0.0240(8) 0.5090(7) 0.1520(5) 0.025(3) Uiso 0.25 1 d PD A 1 C14A C -0.0301(9) 0.5807(8) 0.1478(7) 0.045(5) Uiso 0.25 1 d PD A 1 C15A C -0.0723(8) 0.6198(8) 0.1819(5) 0.032(4) Uiso 0.25 1 d PD A 1 C16A C -0.0396(9) 0.6866(8) 0.1892(6) 0.019(4) Uiso 0.25 1 d PD A 1 C17A C -0.0356(8) 0.7174(8) 0.2341(5) 0.031(3) Uiso 0.25 1 d PD A 1 C18A C -0.0679(6) 0.6848(6) 0.2753(4) 0.007(3) Uiso 0.25 1 d PD A 1 C19A C -0.0241(7) 0.6954(6) 0.3184(4) 0.019(3) Uiso 0.25 1 d PD A 1 C20A C -0.0203(12) 0.6401(10) 0.3500(10) 0.065(14) Uiso 0.25 1 d PD A 1 C21A C 0.0467(9) 0.6236(7) 0.3736(6) 0.037(4) Uiso 0.25 1 d PD A 1 C22A C 0.0511(9) 0.5487(8) 0.3792(7) 0.035(5) Uiso 0.25 1 d PD A 1 C23A C 0.1162(11) 0.5213(12) 0.3704(15) 0.13(2) Uiso 0.25 1 d PD A 1 C24A C 0.1203(9) 0.4550(10) 0.3460(7) 0.037(6) Uiso 0.25 1 d PD A 1 C25A C 0.0600(9) 0.4233(10) 0.3291(6) 0.038(5) Uiso 0.25 1 d PD A 1 C26A C 0.0553(9) 0.3915(8) 0.2814(5) 0.028(4) Uiso 0.25 1 d PD A 1 C27A C 0.1157(8) 0.3901(8) 0.2543(6) 0.027(4) Uiso 0.25 1 d PD A 1 C28A C 0.1101(7) 0.4037(7) 0.2034(5) 0.022(3) Uiso 0.25 1 d PD A 1 C29A C 0.0472(8) 0.4183(7) 0.1819(5) 0.029(3) Uiso 0.25 1 d PD A 1 C30A C 0.0425(8) 0.4728(8) 0.1459(5) 0.036(4) Uiso 0.25 1 d PD A 1 C31A C 0.0990(8) 0.5121(7) 0.1333(5) 0.031(3) Uiso 0.25 1 d PD A 1 C32A C 0.0938(9) 0.5872(7) 0.1270(6) 0.031(4) Uiso 0.25 1 d PD A 1 C33A C 0.0304(8) 0.6207(8) 0.1323(6) 0.021(4) Uiso 0.25 1 d PD A 1 C34A C 0.0202(9) 0.6864(9) 0.1577(7) 0.037(6) Uiso 0.25 1 d PD A 1 C35A C 0.0818(9) 0.7162(11) 0.1742(7) 0.049(6) Uiso 0.25 1 d PD A 1 C36A C 0.0875(9) 0.7483(11) 0.2212(6) 0.043(5) Uiso 0.25 1 d PD A 1 C37A C 0.0284(8) 0.7491(8) 0.2490(6) 0.026(3) Uiso 0.25 1 d PD A 1 C38A C 0.0339(8) 0.7361(9) 0.2998(6) 0.040(5) Uiso 0.25 1 d PD A 1 C39A C 0.0969(8) 0.7208(8) 0.3232(5) 0.034(3) Uiso 0.25 1 d PD A 1 C40A C 0.1016(9) 0.6644(8) 0.3585(6) 0.032(5) Uiso 0.25 1 d PD A 1 C41A C 0.1686(8) 0.6313(8) 0.3526(6) 0.033(4) Uiso 0.25 1 d PD A 1 C42A C 0.1777(11) 0.5603(9) 0.3567(8) 0.054(7) Uiso 0.25 1 d PD A 1 C43A C 0.2191(9) 0.5193(9) 0.3224(6) 0.036(4) Uiso 0.25 1 d PD A 1 C44A C 0.1812(14) 0.4543(14) 0.3162(8) 0.068(14) Uiso 0.25 1 d PD A 1 C45A C 0.1789(8) 0.4222(8) 0.2717(5) 0.038(4) Uiso 0.25 1 d PD A 1 C46A C 0.2141(7) 0.4545(6) 0.2320(5) 0.020(3) Uiso 0.25 1 d PD A 1 C47A C 0.1703(7) 0.4437(7) 0.1897(4) 0.026(3) Uiso 0.25 1 d PD A 1 C48A C 0.1668(8) 0.4946(6) 0.1556(5) 0.024(3) Uiso 0.25 1 d PD A 1 C49A C 0.2003(7) 0.5612(6) 0.1611(5) 0.023(3) Uiso 0.25 1 d PD A 1 C50A C 0.1572(14) 0.6188(10) 0.1446(14) 0.15(3) Uiso 0.25 1 d PD A 1 C51A C 0.1495(8) 0.6839(9) 0.1671(6) 0.029(4) Uiso 0.25 1 d PD A 1 C52A C 0.1929(10) 0.6944(11) 0.2091(6) 0.051(7) Uiso 0.25 1 d PD A 1 C53A C 0.1547(8) 0.7342(9) 0.2444(5) 0.037(4) Uiso 0.25 1 d PD A 1 C54A C 0.1582(8) 0.7200(8) 0.2926(5) 0.030(4) Uiso 0.25 1 d PD A 1 C55A C 0.2030(8) 0.6650(9) 0.3119(5) 0.038(4) Uiso 0.25 1 d PD A 1 C56A C 0.2407(11) 0.6272(9) 0.2776(6) 0.045(6) Uiso 0.25 1 d PD A 1 C57A C 0.2497(10) 0.5511(9) 0.2827(5) 0.042(4) Uiso 0.25 1 d PD A 1 C58A C 0.2464(7) 0.5207(7) 0.2345(5) 0.021(3) Uiso 0.25 1 d PD A 1 C59A C 0.2396(13) 0.5761(9) 0.2013(6) 0.048(7) Uiso 0.25 1 d PD A 1 C60A C 0.2367(8) 0.6421(8) 0.2265(5) 0.031(3) Uiso 0.25 1 d PD A 1 C1B C 0.2380(10) 0.5626(9) 0.1968(6) 0.022(5) Uiso 0.25 1 d PD B 2 C2B C 0.2059(8) 0.4995(8) 0.1777(5) 0.032(4) Uiso 0.25 1 d PD B 2 C3B C 0.1997(6) 0.4487(6) 0.2161(4) 0.004(2) Uiso 0.25 1 d PD B 2 C4B C 0.2316(6) 0.4841(7) 0.2574(4) 0.018(3) Uiso 0.25 1 d PD B 2 C5B C 0.2525(7) 0.5549(7) 0.2466(4) 0.023(3) Uiso 0.25 1 d PD B 2 C6B C 0.2457(10) 0.6091(9) 0.2800(6) 0.026(4) Uiso 0.25 1 d PD B 2 C7B C 0.2179(9) 0.6748(9) 0.2616(5) 0.042(4) Uiso 0.25 1 d PD B 2 C8B C 0.2067(7) 0.6816(8) 0.2151(4) 0.016(3) Uiso 0.25 1 d PD B 2 C9B C 0.2148(7) 0.6257(7) 0.1793(4) 0.028(3) Uiso 0.25 1 d PD B 2 C10B C 0.1598(5) 0.6270(6) 0.1449(4) 0.003(2) Uiso 0.25 1 d PD B 2 C11B C 0.1313(6) 0.5687(7) 0.1271(4) 0.014(3) Uiso 0.25 1 d PD B 2 C12B C 0.1526(7) 0.5035(7) 0.1443(5) 0.014(3) Uiso 0.25 1 d PD B 2 C13B C 0.0945(7) 0.4577(6) 0.1488(4) 0.018(3) Uiso 0.25 1 d PD B 2 C14B C 0.0881(6) 0.4109(5) 0.1856(4) 0.009(2) Uiso 0.25 1 d PD B 2 C15B C 0.1437(7) 0.4050(7) 0.2229(4) 0.020(3) Uiso 0.25 1 d PD B 2 C16B C 0.1117(7) 0.3934(8) 0.2696(5) 0.023(3) Uiso 0.25 1 d PD B 2 C17B C 0.1418(9) 0.4261(8) 0.3092(5) 0.028(3) Uiso 0.25 1 d PD B 2 C18B C 0.2019(8) 0.4726(8) 0.3030(5) 0.028(4) Uiso 0.25 1 d PD B 2 C19B C 0.1944(8) 0.5317(7) 0.3358(6) 0.023(4) Uiso 0.25 1 d PD B 2 C20B C 0.2133(8) 0.5989(8) 0.3241(5) 0.027(4) Uiso 0.25 1 d PD B 2 C21B C 0.1678(8) 0.6566(8) 0.3381(6) 0.029(4) Uiso 0.25 1 d PD B 2 C22B C 0.1742(8) 0.7041(7) 0.3009(5) 0.022(3) Uiso 0.25 1 d PD B 2 C23B C 0.1167(8) 0.7404(9) 0.2843(5) 0.040(4) Uiso 0.25 1 d PD B 2 C24B C 0.1010(7) 0.7480(8) 0.2339(5) 0.021(3) Uiso 0.25 1 d PD B 2 C25B C 0.1448(7) 0.7210(7) 0.1965(4) 0.025(3) Uiso 0.25 1 d PD B 2 C26B C 0.1160(7) 0.6866(7) 0.1547(5) 0.025(3) Uiso 0.25 1 d PD B 2 C27B C 0.0440(8) 0.6806(7) 0.1469(6) 0.020(3) Uiso 0.25 1 d PD B 2 C28B C 0.0095(6) 0.6161(6) 0.1307(4) 0.005(2) Uiso 0.25 1 d PD B 2 C29B C 0.0574(7) 0.5648(8) 0.1203(6) 0.021(4) Uiso 0.25 1 d PD B 2 C30B C 0.0333(7) 0.4966(7) 0.1330(5) 0.017(3) Uiso 0.25 1 d PD B 2 C31B C -0.0277(8) 0.4839(8) 0.1574(5) 0.019(3) Uiso 0.25 1 d PD B 2 C32B C -0.0340(7) 0.4371(6) 0.1970(4) 0.017(3) Uiso 0.25 1 d PD B 2 C33B C 0.0234(6) 0.4002(6) 0.2107(4) 0.016(2) Uiso 0.25 1 d PD B 2 C34B C 0.0371(6) 0.3904(6) 0.2623(4) 0.014(2) Uiso 0.25 1 d PD B 2 C35B C -0.0076(6) 0.4186(7) 0.2968(4) 0.022(3) Uiso 0.25 1 d PD B 2 C36B C 0.0218(7) 0.4518(8) 0.3400(5) 0.023(3) Uiso 0.25 1 d PD B 2 C37B C 0.0938(8) 0.4541(9) 0.3459(6) 0.027(4) Uiso 0.25 1 d PD B 2 C38B C 0.1310(8) 0.5182(9) 0.3631(7) 0.031(6) Uiso 0.25 1 d PD B 2 C39B C 0.0861(7) 0.5730(8) 0.3755(7) 0.030(4) Uiso 0.25 1 d PD B 2 C40B C 0.1089(7) 0.6431(7) 0.3641(4) 0.013(3) Uiso 0.25 1 d PD B 2 C41B C 0.0465(7) 0.6820(7) 0.3481(5) 0.030(3) Uiso 0.25 1 d PD B 2 C42B C 0.0506(7) 0.7288(7) 0.3120(5) 0.016(3) Uiso 0.25 1 d PD B 2 C43B C -0.0035(8) 0.7338(8) 0.2727(5) 0.032(4) Uiso 0.25 1 d PD B 2 C44B C 0.0265(8) 0.7438(9) 0.2248(5) 0.040(4) Uiso 0.25 1 d PD B 2 C45B C -0.0016(8) 0.7115(8) 0.1841(5) 0.024(3) Uiso 0.25 1 d PD B 2 C46B C -0.0632(9) 0.6680(9) 0.1889(5) 0.027(3) Uiso 0.25 1 d PD B 2 C47B C -0.0554(9) 0.6095(8) 0.1568(7) 0.024(5) Uiso 0.25 1 d PD B 2 C48B C -0.0745(9) 0.5421(8) 0.1686(6) 0.032(4) Uiso 0.25 1 d PD B 2 C49B C -0.1036(8) 0.5328(8) 0.2147(5) 0.023(3) Uiso 0.25 1 d PD B 2 C50B C -0.0810(7) 0.4658(7) 0.2328(4) 0.026(3) Uiso 0.25 1 d PD B 2 C51B C -0.0692(7) 0.4589(7) 0.2812(4) 0.021(3) Uiso 0.25 1 d PD B 2 C52B C -0.0758(7) 0.5154(7) 0.3155(4) 0.025(3) Uiso 0.25 1 d PD B 2 C53B C -0.0218(8) 0.5106(9) 0.3515(6) 0.027(4) Uiso 0.25 1 d PD B 2 C54B C 0.0104(6) 0.5711(7) 0.3688(4) 0.019(3) Uiso 0.25 1 d PD B 2 C55B C -0.0148(8) 0.6382(7) 0.3529(5) 0.008(4) Uiso 0.25 1 d PD B 2 C56B C -0.0659(8) 0.6425(8) 0.3176(5) 0.038(4) Uiso 0.25 1 d PD B 2 C57B C -0.0609(17) 0.6902(15) 0.2768(7) 0.12(2) Uiso 0.25 1 d PD B 2 C58B C -0.0910(8) 0.6560(8) 0.2348(5) 0.033(3) Uiso 0.25 1 d PD B 2 C59B C -0.1127(7) 0.5860(7) 0.2477(4) 0.023(3) Uiso 0.25 1 d PD B 2 C60B C -0.0984(9) 0.5798(8) 0.2988(5) 0.024(4) Uiso 0.25 1 d PD B 2 O1W O 0.2500 0.2500 -0.0291(14) 0.045(8) Uiso 0.16 4 d SP . . O2W O 0.2500 0.2500 -0.075(2) 0.048(12) Uiso 0.12 4 d SP . . O3W O 0.2500 0.2500 -0.1398(13) 0.036(7) Uiso 0.16 4 d SP . . O4W O 0.2500 0.2500 -0.1749(14) 0.061(8) Uiso 0.22 4 d SP . . O5W O 0.2500 0.2500 -0.208(3) 0.044(14) Uiso 0.09 4 d SP . . O6W O 0.2500 0.2500 -0.2662(8) 0.032(4) Uiso 0.25 4 d SP . . 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 O1 0.0179(10) 0.0165(10) 0.0163(10) -0.0015(8) 0.0006(8) -0.0016(8) C1 0.0121(13) 0.0181(14) 0.0144(13) -0.0017(10) 0.0036(10) -0.0028(10) C2 0.0156(13) 0.0175(14) 0.0207(14) -0.0011(11) 0.0035(11) -0.0006(11) C3 0.0224(16) 0.0238(16) 0.0283(16) -0.0122(13) 0.0007(12) 0.0038(12) C4 0.0244(16) 0.0337(19) 0.0278(17) -0.0153(14) -0.0068(13) 0.0049(13) C5 0.0190(15) 0.0281(17) 0.0244(16) -0.0083(13) -0.0047(12) 0.0065(12) C6 0.0129(13) 0.0177(14) 0.0189(14) -0.0037(10) 0.0024(10) -0.0007(10) C7 0.0179(14) 0.0130(13) 0.0226(15) 0.0003(11) 0.0059(11) -0.0027(11) C8 0.034(2) 0.048(2) 0.0344(19) -0.0240(17) -0.0124(16) 0.0122(17) C9 0.0282(17) 0.0166(14) 0.0269(16) -0.0112(12) -0.0078(13) -0.0003(12) C10 0.058(3) 0.0279(18) 0.0242(17) -0.0039(14) -0.0044(17) -0.0142(17) C11 0.054(3) 0.055(3) 0.043(2) -0.026(2) 0.019(2) -0.038(2) C12 0.025(2) 0.073(3) 0.080(4) -0.039(3) 0.003(2) -0.016(2) C13 0.036(2) 0.049(2) 0.056(3) -0.005(2) -0.018(2) 0.0056(19) C14 0.0304(18) 0.0265(17) 0.0292(17) 0.0049(13) -0.0047(14) -0.0045(13) _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 O1 C1 1.391(3) . ? O1 H1 0.84 . ? C1 C2 1.396(4) . ? C1 C6 1.399(4) . ? C2 C3 1.392(4) . ? C2 C7 1.521(4) . ? C3 C4 1.387(5) . ? C3 H3 0.95 . ? C4 C5 1.394(5) . ? C4 C8 1.522(5) . ? C5 C6 1.397(4) . ? C5 H5 0.95 . ? C6 C7 1.525(4) 4 ? C7 C6 1.525(4) 3 ? C7 H71 0.99 . ? C7 H72 0.99 . ? C8 C9 1.513(5) . ? C8 H81 0.99 . ? C8 H82 0.99 . ? C9 C10 1.376(5) . ? C9 C14 1.392(5) . ? C10 C11 1.373(7) . ? C10 H10 0.95 . ? C11 C12 1.372(8) . ? C11 H11 0.95 . ? C12 C13 1.386(8) . ? C12 H12 0.95 . ? C13 C14 1.381(6) . ? C13 H13 0.95 . ? C14 H14 0.95 . ? C1A C11A 0.512(18) 7_455 ? C1A C10A 1.04(2) 7_455 ? C1A C9A 1.385(15) . ? C1A C5A 1.429(15) . ? C1A C2A 1.440(15) . ? C1A C29A 1.47(2) 7_455 ? C1A C12A 1.94(2) 7_455 ? C1A C26A 1.98(2) 7_455 ? C2A C10A 0.618(18) 7_455 ? C2A C26A 0.87(2) 7_455 ? C2A C12A 1.401(14) . ? C2A C3A 1.456(15) . ? C2A C9A 1.60(2) 7_455 ? C2A C25A 1.84(2) 7_455 ? C2A C11A 1.869(19) 7_455 ? C3A C26A 0.63(2) 7_455 ? C3A C27A 0.87(2) 7_455 ? C3A C15A 1.413(15) . ? C3A C4A 1.462(15) . ? C3A C25A 1.60(2) 7_455 ? C3A C45A 1.85(2) 7_455 ? C3A C10A 2.00(2) 7_455 ? C4A C27A 0.670(16) 7_455 ? C4A C28A 0.794(16) 7_455 ? C4A C18A 1.424(14) . ? C4A C5A 1.459(15) . ? C4A C45A 1.67(2) 7_455 ? C4A C47A 1.741(19) 7_455 ? C4A C26A 1.88(2) 7_455 ? C4A C29A 1.992(19) 7_455 ? C5A C29A 0.574(19) 7_455 ? C5A C28A 0.92(2) 7_455 ? C5A C6A 1.378(15) . ? C5A C11A 1.60(2) 7_455 ? C5A C27A 1.92(2) 7_455 ? C5A C30A 1.97(2) 7_455 ? C6A C30A 0.883(17) 7_455 ? C6A C29A 1.029(18) 7_455 ? C6A C20A 1.439(17) . ? C6A C7A 1.465(15) . ? C6A C31A 1.525(18) 7_455 ? C6A C28A 1.674(18) 7_455 ? C6A C48A 2.02(2) 7_455 ? C7A C30A 0.585(19) 7_455 ? C7A C13A 0.96(2) 7_455 ? C7A C8A 1.372(16) . ? C7A C22A 1.433(17) . ? C7A C31A 1.63(2) 7_455 ? C7A C29A 1.88(2) 7_455 ? C7A C14A 2.01(2) 7_455 ? C8A C13A 0.599(17) 7_455 ? C8A C12A 0.905(17) 7_455 ? C8A C9A 1.453(15) . ? C8A C25A 1.462(16) . ? C8A C14A 1.78(2) 7_455 ? C8A C30A 1.78(2) 7_455 ? C8A C11A 1.98(2) 7_455 ? C9A C12A 0.650(17) 7_455 ? C9A C11A 0.94(2) 7_455 ? C9A C10A 1.447(15) . ? C9A C2A 1.60(2) 7_455 ? C9A C10A 1.86(2) 7_455 ? C9A C13A 1.986(19) 7_455 ? C10A C2A 0.618(18) 7_455 ? C10A C1A 1.04(2) 7_455 ? C10A C11A 1.380(15) . ? C10A C26A 1.454(15) . ? C10A C12A 1.51(2) 7_455 ? C10A C9A 1.86(2) 7_455 ? C10A C3A 2.00(2) 7_455 ? C11A C1A 0.512(18) 7_455 ? C11A C9A 0.94(2) 7_455 ? C11A C29A 1.442(14) . ? C11A C12A 1.460(15) . ? C11A C5A 1.60(2) 7_455 ? C11A C2A 1.869(19) 7_455 ? C11A C8A 1.98(2) 7_455 ? C12A C9A 0.650(17) 7_455 ? C12A C8A 0.905(17) 7_455 ? C12A C13A 1.465(15) . ? C12A C10A 1.51(2) 7_455 ? C12A C25A 1.77(2) 7_455 ? C12A C26A 1.94(2) 7_455 ? C12A C1A 1.94(2) 7_455 ? C13A C8A 0.599(17) 7_455 ? C13A C7A 0.96(2) 7_455 ? C13A C14A 1.392(15) . ? C13A C30A 1.468(15) . ? C13A C25A 1.51(2) 7_455 ? C13A C22A 1.84(2) 7_455 ? C13A C9A 1.986(19) 7_455 ? C14A C24A 0.83(2) 7_455 ? C14A C25A 1.17(2) 7_455 ? C14A C23A 1.30(3) 7_455 ? C14A C15A 1.457(16) . ? C14A C33A 1.461(15) . ? C14A C8A 1.78(2) 7_455 ? C14A C22A 1.79(2) 7_455 ? C14A C7A 2.01(2) 7_455 ? C15A C24A 0.94(2) 7_455 ? C15A C25A 1.19(2) 7_455 ? C15A C44A 1.29(3) 7_455 ? C15A C16A 1.446(16) . ? C15A C45A 1.72(2) 7_455 ? C15A C26A 1.75(2) 7_455 ? C15A C27A 1.91(2) 7_455 ? C16A C44A 0.22(3) 7_455 ? C16A C45A 1.32(2) 7_455 ? C16A C43A 1.33(2) 7_455 ? C16A C17A 1.381(16) . ? C16A C34A 1.444(15) . ? C16A C24A 1.61(2) 7_455 ? C17A C46A 0.961(18) 7_455 ? C17A C45A 1.11(2) 7_455 ? C17A C37A 1.436(15) . ? C17A C18A 1.444(13) . ? C17A C58A 1.50(2) 7_455 ? C17A C44A 1.57(2) 7_455 ? C17A C57A 1.84(2) 7_455 ? C17A C43A 1.89(2) 7_455 ? C18A C46A 0.738(17) 7_455 ? C18A C47A 1.035(16) 7_455 ? C18A C45A 1.322(17) 7_455 ? C18A C19A 1.475(13) . ? C18A C28A 1.648(18) 7_455 ? C18A C27A 1.762(19) 7_455 ? C19A C47A 0.816(16) 7_455 ? C19A C48A 0.975(17) 7_455 ? C19A C20A 1.381(16) . ? C19A C38A 1.460(15) . ? C19A C46A 1.499(17) 7_455 ? C19A C49A 1.742(18) 7_455 ? C19A C58A 1.966(19) 7_455 ? C20A C48A 0.61(2) 7_455 ? C20A C31A 1.11(2) 7_455 ? C20A C21A 1.479(17) . ? C20A C47A 1.43(2) 7_455 ? C20A C30A 1.89(2) 7_455 ? C20A C49A 1.97(2) 7_455 ? C21A C31A 0.839(18) 7_455 ? C21A C32A 0.97(2) 7_455 ? C21A C40A 1.382(15) . ? C21A C22A 1.453(15) . ? C21A C48A 1.53(2) 7_455 ? C21A C50A 1.61(3) 7_455 ? C21A C49A 1.78(2) 7_455 ? C22A C32A 1.13(2) 7_455 ? C22A C31A 1.27(2) 7_455 ? C22A C23A 1.381(17) . ? C22A C33A 1.42(2) 7_455 ? C22A C30A 1.66(2) 7_455 ? C22A C14A 1.79(2) 7_455 ? C22A C13A 1.84(2) 7_455 ? C23A C33A 0.21(4) 7_455 ? C23A C14A 1.30(3) 7_455 ? C23A C24A 1.447(18) . ? C23A C42A 1.453(18) . ? C23A C32A 1.51(3) 7_455 ? C23A C34A 1.56(3) 7_455 ? C24A C14A 0.83(2) 7_455 ? C24A C15A 0.94(2) 7_455 ? C24A C25A 1.392(16) . ? C24A C44A 1.435(17) . ? C24A C33A 1.57(2) 7_455 ? C24A C16A 1.61(2) 7_455 ? C24A C34A 1.79(2) 7_455 ? C25A C14A 1.17(2) 7_455 ? C25A C15A 1.19(2) 7_455 ? C25A C26A 1.459(15) . ? C25A C13A 1.51(2) 7_455 ? C25A C3A 1.60(2) 7_455 ? C25A C12A 1.77(2) 7_455 ? C25A C2A 1.84(2) 7_455 ? C26A C3A 0.63(2) 7_455 ? C26A C2A 0.87(2) 7_455 ? C26A C27A 1.385(15) . ? C26A C15A 1.75(2) 7_455 ? C26A C4A 1.88(2) 7_455 ? C26A C12A 1.94(2) 7_455 ? C26A C1A 1.98(2) 7_455 ? C27A C4A 0.670(16) 7_455 ? C27A C3A 0.87(2) 7_455 ? C27A C28A 1.439(15) . ? C27A C45A 1.449(15) . ? C27A C18A 1.762(19) 7_455 ? C27A C15A 1.91(2) 7_455 ? C27A C5A 1.92(2) 7_455 ? C28A C4A 0.794(16) 7_455 ? C28A C5A 0.92(2) 7_455 ? C28A C29A 1.379(14) . ? C28A C47A 1.442(14) . ? C28A C18A 1.648(18) 7_455 ? C28A C6A 1.674(18) 7_455 ? C29A C5A 0.574(19) 7_455 ? C29A C6A 1.029(18) 7_455 ? C29A C1A 1.47(2) 7_455 ? C29A C30A 1.453(15) . ? C29A C7A 1.88(2) 7_455 ? C29A C4A 1.992(19) 7_455 ? C30A C7A 0.585(19) 7_455 ? C30A C6A 0.883(17) 7_455 ? C30A C31A 1.369(15) . ? C30A C22A 1.66(2) 7_455 ? C30A C8A 1.78(2) 7_455 ? C30A C20A 1.89(2) 7_455 ? C30A C5A 1.97(2) 7_455 ? C31A C21A 0.839(18) 7_455 ? C31A C20A 1.11(2) 7_455 ? C31A C22A 1.27(2) 7_455 ? C31A C32A 1.460(14) . ? C31A C48A 1.483(15) . ? C31A C6A 1.525(18) 7_455 ? C31A C7A 1.63(2) 7_455 ? C32A C21A 0.97(2) 7_455 ? C32A C22A 1.13(2) 7_455 ? C32A C33A 1.391(16) . ? C32A C50A 1.447(18) . ? C32A C40A 1.44(2) 7_455 ? C32A C23A 1.51(3) 7_455 ? C32A C41A 1.82(2) 7_455 ? C32A C42A 1.91(2) 7_455 ? C33A C23A 0.21(4) 7_455 ? C33A C42A 1.28(3) 7_455 ? C33A C22A 1.42(2) 7_455 ? C33A C34A 1.461(16) . ? C33A C24A 1.57(2) 7_455 ? C34A C43A 0.84(2) 7_455 ? C34A C42A 0.89(2) 7_455 ? C34A C35A 1.396(16) . ? C34A C44A 1.46(3) 7_455 ? C34A C23A 1.56(3) 7_455 ? C34A C24A 1.79(2) 7_455 ? C35A C42A 1.21(2) 7_455 ? C35A C43A 1.21(2) 7_455 ? C35A C36A 1.445(16) . ? C35A C51A 1.457(16) . ? C35A C41A 1.52(2) 7_455 ? C35A C57A 1.48(2) 7_455 ? C35A C55A 1.67(2) 7_455 ? C35A C56A 1.67(2) 7_455 ? C36A C56A 0.78(2) 7_455 ? C36A C57A 0.71(2) 7_455 ? C36A C37A 1.375(16) . ? C36A C53A 1.470(16) . ? C36A C60A 1.81(2) 7_455 ? C36A C58A 1.78(2) 7_455 ? C36A C43A 1.87(2) 7_455 ? C36A C55A 1.96(2) 7_455 ? C37A C58A 0.482(17) 7_455 ? C37A C57A 0.98(2) 7_455 ? C37A C38A 1.434(15) . ? C37A C59A 1.66(2) 7_455 ? C37A C46A 1.66(2) 7_455 ? C37A C56A 2.05(2) 7_455 ? C38A C59A 0.82(2) 7_455 ? C38A C58A 1.006(18) 7_455 ? C38A C49A 1.39(2) 7_455 ? C38A C39A 1.406(15) . ? C38A C46A 1.82(2) 7_455 ? C38A C48A 1.97(2) 7_455 ? C39A C59A 0.868(19) 7_455 ? C39A C49A 0.905(17) 7_455 ? C39A C40A 1.465(15) . ? C39A C54A 1.454(15) . ? C39A C50A 1.57(2) 7_455 ? C39A C60A 1.66(2) 7_455 ? C40A C50A 0.37(3) 7_455 ? C40A C49A 1.17(2) 7_455 ? C40A C32A 1.44(2) 7_455 ? C40A C41A 1.448(16) . ? C40A C51A 1.76(2) 7_455 ? C41A C51A 0.713(18) 7_455 ? C41A C50A 1.08(2) 7_455 ? C41A C42A 1.383(16) . ? C41A C55A 1.459(15) . ? C41A C35A 1.52(2) 7_455 ? C41A C32A 1.82(2) 7_455 ? C42A C34A 0.89(2) 7_455 ? C42A C35A 1.21(2) 7_455 ? C42A C33A 1.28(3) 7_455 ? C42A C43A 1.470(16) . ? C42A C51A 1.84(2) 7_455 ? C42A C32A 1.91(2) 7_455 ? C43A C34A 0.84(2) 7_455 ? C43A C35A 1.21(2) 7_455 ? C43A C16A 1.33(2) 7_455 ? C43A C57A 1.390(15) . ? C43A C44A 1.460(17) . ? C43A C36A 1.87(2) 7_455 ? C43A C17A 1.89(2) 7_455 ? C44A C16A 0.22(3) 7_455 ? C44A C15A 1.29(3) 7_455 ? C44A C45A 1.379(16) . ? C44A C34A 1.46(3) 7_455 ? C44A C17A 1.57(3) 7_455 ? C45A C17A 1.11(2) 7_455 ? C45A C16A 1.32(2) 7_455 ? C45A C18A 1.322(17) 7_455 ? C45A C46A 1.435(14) . ? C45A C4A 1.67(2) 7_455 ? C45A C15A 1.72(2) 7_455 ? C45A C3A 1.85(2) 7_455 ? C46A C18A 0.737(17) 7_455 ? C46A C17A 0.961(18) 7_455 ? C46A C58A 1.419(14) . ? C46A C47A 1.459(14) . ? C46A C19A 1.499(17) 7_455 ? C46A C37A 1.66(2) 7_455 ? C46A C38A 1.82(2) 7_455 ? C47A C19A 0.816(16) 7_455 ? C47A C18A 1.035(16) 7_455 ? C47A C48A 1.362(14) . ? C47A C20A 1.43(2) 7_455 ? C47A C4A 1.741(19) 7_455 ? C48A C20A 0.61(2) 7_455 ? C48A C19A 0.975(17) 7_455 ? C48A C49A 1.444(14) . ? C48A C21A 1.53(2) 7_455 ? C48A C38A 1.97(2) 7_455 ? C48A C6A 2.02(2) 7_455 ? C49A C39A 0.905(17) 7_455 ? C49A C40A 1.17(2) 7_455 ? C49A C38A 1.39(2) 7_455 ? C49A C59A 1.379(16) . ? C49A C50A 1.459(17) . ? C49A C19A 1.742(18) 7_455 ? C49A C21A 1.78(2) 7_455 ? C49A C20A 1.97(2) 7_455 ? C50A C40A 0.37(3) 7_455 ? C50A C41A 1.08(2) 7_455 ? C50A C51A 1.409(17) . ? C50A C39A 1.57(2) 7_455 ? C50A C21A 1.61(3) 7_455 ? C51A C41A 0.713(18) 7_455 ? C51A C55A 0.749(17) 7_455 ? C51A C52A 1.446(16) . ? C51A C40A 1.76(2) 7_455 ? C51A C54A 1.83(2) 7_455 ? C51A C42A 1.84(2) 7_455 ? C51A C56A 1.93(2) 7_455 ? C52A C54A 0.87(2) 7_455 ? C52A C55A 0.809(19) 7_455 ? C52A C60A 1.399(16) . ? C52A C53A 1.443(16) . ? C52A C56A 1.59(3) 7_455 ? C52A C53A 1.70(2) 7_455 ? C53A C56A 0.817(19) 7_455 ? C53A C60A 0.846(18) 7_455 ? C53A C54A 1.367(15) . ? C53A C55A 1.68(2) 7_455 ? C53A C52A 1.70(2) 7_455 ? C54A C60A 0.692(17) 7_455 ? C54A C52A 0.87(2) 7_455 ? C54A C55A 1.467(15) . ? C54A C59A 1.63(2) 7_455 ? C54A C51A 1.83(2) 7_455 ? C55A C51A 0.749(17) 7_455 ? C55A C52A 0.809(19) 7_455 ? C55A C56A 1.401(16) . ? C55A C53A 1.68(2) 7_455 ? C55A C35A 1.67(2) 7_455 ? C55A C36A 1.96(2) 7_455 ? C56A C36A 0.78(2) 7_455 ? C56A C53A 0.817(19) 7_455 ? C56A C60A 1.448(16) . ? C56A C57A 1.484(16) . ? C56A C52A 1.59(3) 7_455 ? C56A C35A 1.67(2) 7_455 ? C56A C51A 1.93(2) 7_455 ? C56A C37A 2.05(2) 7_455 ? C57A C36A 0.71(2) 7_455 ? C57A C37A 0.98(2) 7_455 ? C57A C58A 1.458(15) . ? C57A C35A 1.48(2) 7_455 ? C57A C17A 1.84(2) 7_455 ? C58A C37A 0.482(17) 7_455 ? C58A C38A 1.006(18) 7_455 ? C58A C59A 1.416(15) . ? C58A C17A 1.50(2) 7_455 ? C58A C36A 1.78(2) 7_455 ? C58A C19A 1.966(19) 7_455 ? C59A C38A 0.82(2) 7_455 ? C59A C39A 0.868(19) 7_455 ? C59A C60A 1.450(16) . ? C59A C37A 1.66(2) 7_455 ? C59A C54A 1.63(2) 7_455 ? C60A C54A 0.692(17) 7_455 ? C60A C53A 0.846(18) 7_455 ? C60A C39A 1.66(2) 7_455 ? C60A C36A 1.81(2) 7_455 ? C1B C42B 0.38(2) 7_455 ? C1B C23B 1.17(2) 7_455 ? C1B C9B 1.382(15) . ? C1B C5B 1.418(15) . ? C1B C2B 1.464(16) . ? C1B C43B 1.53(2) 7_455 ? C1B C41B 1.68(2) 7_455 ? C2B C42B 1.12(2) 7_455 ? C2B C41B 1.242(18) 7_455 ? C2B C12B 1.384(14) . ? C2B C3B 1.450(14) . ? C2B C43B 1.477(18) 7_455 ? C2B C55B 1.578(17) 7_455 ? C2B C57B 1.74(2) 7_455 ? C2B C56B 1.76(2) 7_455 ? C3B C57B 0.33(2) 7_455 ? C3B C43B 1.17(2) 7_455 ? C3B C15B 1.380(13) . ? C3B C4B 1.468(12) . ? C3B C56B 1.469(18) 7_455 ? C3B C58B 1.773(19) 7_455 ? C4B C43B 0.870(16) 7_455 ? C4B C44B 0.983(19) 7_455 ? C4B C18B 1.404(14) . ? C4B C5B 1.453(14) . ? C4B C57B 1.51(2) 7_455 ? C4B C45B 1.688(17) 7_455 ? C5B C44B 0.978(19) 7_455 ? C5B C24B 1.044(17) 7_455 ? C5B C43B 1.297(19) 7_455 ? C5B C6B 1.401(15) . ? C5B C23B 1.485(19) 7_455 ? C5B C42B 1.690(18) 7_455 ? C6B C24B 0.416(18) 7_455 ? C6B C25B 1.06(2) 7_455 ? C6B C20B 1.387(15) . ? C6B C7B 1.465(16) . ? C6B C44B 1.60(2) 7_455 ? C6B C23B 1.79(2) 7_455 ? C7B C8B 1.13(2) 7_455 ? C7B C7B 1.34(3) 7_455 ? C7B C8B 1.314(15) . ? C7B C25B 1.299(19) 7_455 ? C7B C22B 1.486(15) . ? C7B C24B 1.54(2) 7_455 ? C7B C22B 1.75(2) 7_455 ? C7B C23B 1.75(2) 7_455 ? C8B C22B 0.468(17) 7_455 ? C8B C7B 1.13(2) 7_455 ? C8B C25B 1.505(14) . ? C8B C9B 1.473(14) . ? C8B C23B 1.41(2) 7_455 ? C8B C21B 1.781(18) 7_455 ? C9B C22B 1.10(2) 7_455 ? C9B C23B 1.137(18) 7_455 ? C9B C10B 1.425(13) . ? C9B C21B 1.46(2) 7_455 ? C9B C42B 1.491(19) 7_455 ? C9B C41B 1.82(2) 7_455 ? C9B C40B 1.860(18) 7_455 ? C10B C40B 0.537(13) 7_455 ? C10B C21B 0.918(16) 7_455 ? C10B C11B 1.344(13) . ? C10B C26B 1.450(13) . ? C10B C41B 1.621(16) 7_455 ? C10B C39B 1.932(18) 7_455 ? C10B C22B 1.953(17) 7_455 ? C11B C40B 0.842(14) 7_455 ? C11B C39B 1.17(2) 7_455 ? C11B C41B 1.269(17) 7_455 ? C11B C12B 1.406(14) . ? C11B C29B 1.437(15) . ? C11B C54B 1.617(18) 7_455 ? C11B C55B 1.706(19) 7_455 ? C12B C55B 0.453(15) 7_455 ? C12B C41B 1.025(17) 7_455 ? C12B C13B 1.429(14) . ? C12B C54B 1.616(18) 7_455 ? C12B C56B 1.715(18) 7_455 ? C13B C55B 0.997(17) 7_455 ? C13B C54B 1.211(16) 7_455 ? C13B C14B 1.369(13) . ? C13B C56B 1.392(19) 7_455 ? C13B C30B 1.463(13) . ? C13B C53B 1.662(19) 7_455 ? C13B C60B 1.832(18) 7_455 ? C13B C52B 1.928(19) 7_455 ? C14B C60B 0.492(15) 7_455 ? C14B C56B 1.14(2) 7_455 ? C14B C52B 1.422(17) 7_455 ? C14B C33B 1.441(13) . ? C14B C15B 1.492(13) . ? C14B C59B 1.902(15) 7_455 ? C14B C55B 2.030(18) 7_455 ? C15B C57B 1.11(2) 7_455 ? C15B C58B 1.199(18) 7_455 ? C15B C56B 1.253(18) 7_455 ? C15B C60B 1.37(2) 7_455 ? C15B C59B 1.419(17) 7_455 ? C15B C16B 1.451(14) . ? C16B C59B 0.700(16) 7_455 ? C16B C58B 0.912(19) 7_455 ? C16B C17B 1.392(15) . ? C16B C34B 1.453(14) . ? C16B C49B 1.58(2) 7_455 ? C16B C46B 1.79(2) 7_455 ? C16B C60B 2.000(19) 7_455 ? C17B C46B 0.547(19) 7_455 ? C17B C47B 1.19(2) 7_455 ? C17B C58B 1.29(2) 7_455 ? C17B C18B 1.473(15) . ? C17B C37B 1.476(16) . ? C17B C45B 1.94(2) 7_455 ? C17B C48B 2.02(2) 7_455 ? C18B C45B 0.640(18) 7_455 ? C18B C46B 0.97(2) 7_455 ? C18B C19B 1.466(15) . ? C18B C44B 1.52(2) 7_455 ? C18B C58B 1.84(2) 7_455 ? C18B C27B 2.00(2) 7_455 ? C19B C27B 0.595(19) 7_455 ? C19B C45B 0.909(19) 7_455 ? C19B C20B 1.383(15) . ? C19B C38B 1.459(16) . ? C19B C26B 1.650(19) 7_455 ? C19B C28B 1.821(19) 7_455 ? C19B C44B 1.93(2) 7_455 ? C19B C46B 2.02(2) 7_455 ? C20B C26B 0.848(17) 7_455 ? C20B C25B 1.063(18) 7_455 ? C20B C21B 1.468(15) . ? C20B C27B 1.469(19) 7_455 ? C20B C24B 1.740(19) 7_455 ? C20B C45B 1.95(2) 7_455 ? C20B C44B 2.03(2) 7_455 ? C21B C26B 0.89(2) 7_455 ? C21B C10B 0.918(16) 7_455 ? C21B C40B 1.369(15) . ? C21B C22B 1.384(15) . ? C21B C25B 1.421(19) 7_455 ? C21B C9B 1.46(2) 7_455 ? C21B C8B 1.781(18) 7_455 ? C22B C8B 0.468(17) 7_455 ? C22B C9B 1.10(2) 7_455 ? C22B C23B 1.388(15) . ? C22B C25B 1.457(19) 7_455 ? C22B C7B 1.75(2) 7_455 ? C22B C10B 1.953(17) 7_455 ? C23B C9B 1.137(18) 7_455 ? C23B C1B 1.17(2) 7_455 ? C23B C24B 1.437(15) . ? C23B C5B 1.485(19) 7_455 ? C23B C8B 1.41(2) 7_455 ? C23B C42B 1.503(15) . ? C23B C7B 1.75(2) 7_455 ? C23B C6B 1.79(2) 7_455 ? C24B C6B 0.416(18) 7_455 ? C24B C5B 1.044(17) 7_455 ? C24B C25B 1.432(14) . ? C24B C44B 1.460(15) . ? C24B C7B 1.54(2) 7_455 ? C24B C20B 1.740(19) 7_455 ? C25B C20B 1.063(18) 7_455 ? C25B C6B 1.06(2) 7_455 ? C25B C7B 1.299(19) 7_455 ? C25B C21B 1.421(19) 7_455 ? C25B C26B 1.445(14) . ? C25B C22B 1.457(19) 7_455 ? C26B C20B 0.848(17) 7_455 ? C26B C21B 0.89(2) 7_455 ? C26B C27B 1.408(15) . ? C26B C19B 1.650(19) 7_455 ? C26B C40B 1.668(18) 7_455 ? C27B C19B 0.595(19) 7_455 ? C27B C38B 1.113(19) 7_455 ? C27B C45B 1.479(15) . ? C27B C28B 1.480(14) . ? C27B C20B 1.469(19) 7_455 ? C27B C18B 2.00(2) 7_455 ? C27B C39B 2.00(2) 7_455 ? C28B C38B 0.374(19) 7_455 ? C28B C37B 1.32(2) 7_455 ? C28B C39B 1.36(2) 7_455 ? C28B C29B 1.382(14) . ? C28B C47B 1.449(15) . ? C28B C19B 1.821(19) 7_455 ? C29B C39B 0.52(2) 7_455 ? C29B C54B 1.123(19) 7_455 ? C29B C30B 1.437(16) . ? C29B C38B 1.55(2) 7_455 ? C29B C40B 1.90(2) 7_455 ? C30B C53B 0.71(2) 7_455 ? C30B C54B 0.777(16) 7_455 ? C30B C31B 1.377(15) . ? C30B C36B 1.805(19) 7_455 ? C30B C39B 1.90(2) 7_455 ? C30B C52B 2.027(19) 7_455 ? C31B C53B 0.786(18) 7_455 ? C31B C36B 0.83(2) 7_455 ? C31B C32B 1.426(14) . ? C31B C48B 1.472(16) . ? C31B C52B 1.606(18) 7_455 ? C31B C35B 1.645(19) 7_455 ? C31B C51B 2.003(18) 7_455 ? C32B C51B 0.632(16) 7_455 ? C32B C52B 1.043(18) 7_455 ? C32B C33B 1.368(14) . ? C32B C35B 1.413(17) 7_455 ? C32B C50B 1.451(14) . ? C32B C53B 1.782(19) 7_455 ? C32B C36B 1.945(18) 7_455 ? C32B C50B 1.977(18) 7_455 ? C33B C52B 0.873(15) 7_455 ? C33B C60B 1.12(2) 7_455 ? C33B C51B 1.394(18) 7_455 ? C33B C34B 1.466(13) . ? C33B C59B 1.685(17) 7_455 ? C33B C50B 1.95(2) 7_455 ? C34B C49B 0.655(15) 7_455 ? C34B C59B 0.984(17) 7_455 ? C34B C35B 1.398(13) . ? C34B C50B 1.486(18) 7_455 ? C34B C60B 1.897(18) 7_455 ? C34B C48B 2.035(18) 7_455 ? C35B C49B 0.943(18) 7_455 ? C35B C50B 0.968(17) 7_455 ? C35B C48B 1.362(19) 7_455 ? C35B C32B 1.413(17) 7_455 ? C35B C36B 1.470(14) . ? C35B C51B 1.481(14) . ? C35B C31B 1.645(19) 7_455 ? C36B C48B 0.683(18) 7_455 ? C36B C31B 0.83(2) 7_455 ? C36B C37B 1.398(15) . ? C36B C53B 1.444(15) . ? C36B C47B 1.70(2) 7_455 ? C36B C30B 1.80(2) 7_455 ? C36B C49B 1.865(18) 7_455 ? C36B C32B 1.945(18) 7_455 ? C37B C47B 0.36(2) 7_455 ? C37B C48B 1.21(2) 7_455 ? C37B C28B 1.32(2) 7_455 ? C37B C38B 1.504(16) . ? C37B C46B 1.75(2) 7_455 ? C38B C28B 0.374(19) 7_455 ? C38B C27B 1.113(19) 7_455 ? C38B C39B 1.408(16) . ? C38B C29B 1.55(2) 7_455 ? C38B C47B 1.58(2) 7_455 ? C39B C29B 0.52(2) 7_455 ? C39B C11B 1.17(2) 7_455 ? C39B C28B 1.36(2) 7_455 ? C39B C40B 1.453(15) . ? C39B C54B 1.469(14) . ? C39B C30B 1.90(2) 7_455 ? C39B C10B 1.932(18) 7_455 ? C39B C27B 2.00(2) 7_455 ? C40B C10B 0.537(13) 7_455 ? C40B C11B 0.842(14) 7_455 ? C40B C41B 1.485(14) . ? C40B C26B 1.668(18) 7_455 ? C40B C9B 1.860(18) 7_455 ? C40B C29B 1.90(2) 7_455 ? C41B C12B 1.025(17) 7_455 ? C41B C2B 1.242(18) 7_455 ? C41B C11B 1.269(17) 7_455 ? C41B C42B 1.349(15) . ? C41B C55B 1.455(14) . ? C41B C10B 1.621(16) 7_455 ? C41B C1B 1.68(2) 7_455 ? C41B C9B 1.82(2) 7_455 ? C42B C1B 0.38(2) 7_455 ? C42B C2B 1.12(2) 7_455 ? C42B C43B 1.510(14) . ? C42B C9B 1.491(19) 7_455 ? C42B C5B 1.690(18) 7_455 ? C43B C4B 0.870(16) 7_455 ? C43B C3B 1.17(2) 7_455 ? C43B C5B 1.297(19) 7_455 ? C43B C57B 1.393(17) . ? C43B C44B 1.462(15) . ? C43B C2B 1.477(18) 7_455 ? C43B C1B 1.53(2) 7_455 ? C44B C4B 0.983(19) 7_455 ? C44B C5B 0.978(19) 7_455 ? C44B C45B 1.396(14) . ? C44B C18B 1.52(2) 7_455 ? C44B C6B 1.60(2) 7_455 ? C44B C19B 1.93(2) 7_455 ? C44B C20B 2.03(2) 7_455 ? C45B C18B 0.640(18) 7_455 ? C45B C19B 0.909(19) 7_455 ? C45B C46B 1.458(16) . ? C45B C4B 1.688(17) 7_455 ? C45B C17B 1.94(2) 7_455 ? C45B C20B 1.95(2) 7_455 ? C46B C17B 0.547(19) 7_455 ? C46B C18B 0.98(2) 7_455 ? C46B C58B 1.399(15) . ? C46B C47B 1.444(15) . ? C46B C37B 1.75(2) 7_455 ? C46B C16B 1.79(2) 7_455 ? C46B C19B 2.02(2) 7_455 ? C47B C37B 0.36(2) 7_455 ? C47B C17B 1.19(2) 7_455 ? C47B C48B 1.387(16) . ? C47B C38B 1.58(2) 7_455 ? C47B C36B 1.70(2) 7_455 ? C48B C36B 0.683(18) 7_455 ? C48B C37B 1.21(2) 7_455 ? C48B C35B 1.362(19) 7_455 ? C48B C49B 1.407(15) . ? C48B C17B 2.02(2) 7_455 ? C48B C34B 2.035(18) 7_455 ? C49B C34B 0.655(15) 7_455 ? C49B C35B 0.943(18) 7_455 ? C49B C59B 1.386(14) . ? C49B C50B 1.451(15) . ? C49B C16B 1.58(2) 7_455 ? C49B C36B 1.865(18) 7_455 ? C50B C35B 0.968(17) 7_455 ? C50B C51B 1.09(2) 7_455 ? C50B C51B 1.367(14) . ? C50B C34B 1.486(18) 7_455 ? C50B C50B 1.59(2) 7_455 ? C50B C33B 1.95(2) 7_455 ? C50B C32B 1.977(18) 7_455 ? C51B C32B 0.632(16) 7_455 ? C51B C50B 1.09(2) 7_455 ? C51B C33B 1.394(18) 7_455 ? C51B C52B 1.451(14) . ? C51B C51B 1.89(2) 7_455 ? C51B C31B 2.003(18) 7_455 ? C52B C33B 0.873(15) 7_455 ? C52B C32B 1.043(18) 7_455 ? C52B C60B 1.393(15) . ? C52B C14B 1.422(17) 7_455 ? C52B C53B 1.446(15) . ? C52B C31B 1.606(18) 7_455 ? C52B C13B 1.928(19) 7_455 ? C52B C30B 2.027(19) 7_455 ? C53B C30B 0.71(2) 7_455 ? C53B C31B 0.786(18) 7_455 ? C53B C54B 1.404(15) . ? C53B C13B 1.662(19) 7_455 ? C53B C32B 1.782(19) 7_455 ? C54B C30B 0.777(16) 7_455 ? C54B C29B 1.123(19) 7_455 ? C54B C13B 1.211(16) 7_455 ? C54B C55B 1.449(14) . ? C54B C12B 1.616(18) 7_455 ? C54B C11B 1.617(18) 7_455 ? C55B C12B 0.453(15) 7_455 ? C55B C13B 0.997(17) 7_455 ? C55B C56B 1.391(15) . ? C55B C2B 1.578(17) 7_455 ? C55B C11B 1.706(19) 7_455 ? C55B C14B 2.030(18) 7_455 ? C56B C14B 1.14(2) 7_455 ? C56B C15B 1.253(18) 7_455 ? C56B C13B 1.392(18) 7_455 ? C56B C57B 1.459(17) . ? C56B C60B 1.456(15) . ? C56B C3B 1.469(18) 7_455 ? C56B C12B 1.715(19) 7_455 ? C56B C2B 1.76(2) 7_455 ? C57B C3B 0.33(2) 7_455 ? C57B C15B 1.11(2) 7_455 ? C57B C58B 1.457(17) . ? C57B C4B 1.51(2) 7_455 ? C57B C2B 1.74(2) 7_455 ? C58B C16B 0.912(19) 7_455 ? C58B C15B 1.199(18) 7_455 ? C58B C17B 1.29(2) 7_455 ? C58B C59B 1.456(15) . ? C58B C3B 1.773(19) 7_455 ? C58B C18B 1.84(2) 7_455 ? C59B C16B 0.700(16) 7_455 ? C59B C34B 0.984(17) 7_455 ? C59B C15B 1.419(17) 7_455 ? C59B C60B 1.448(15) . ? C59B C33B 1.685(17) 7_455 ? C59B C14B 1.902(15) 7_455 ? C60B C14B 0.492(15) 7_455 ? C60B C33B 1.12(2) 7_455 ? C60B C15B 1.37(2) 7_455 ? C60B C13B 1.832(18) 7_455 ? C60B C34B 1.897(18) 7_455 ? C60B C16B 2.000(19) 7_455 ? O1W O2W 1.26(7) . ? O2W O3W 1.81(7) . ? O3W O4W 0.97(5) . ? O4W O5W 0.92(7) . ? O5W O6W 1.61(7) . ? 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 C1 O1 H1 109.5 . . ? O1 C1 C2 118.7(3) . . ? O1 C1 C6 118.7(2) . . ? C2 C1 C6 122.6(3) . . ? C3 C2 C1 117.4(3) . . ? C3 C2 C7 120.6(3) . . ? C1 C2 C7 122.0(3) . . ? C4 C3 C2 122.2(3) . . ? C4 C3 H3 118.9 . . ? C2 C3 H3 118.9 . . ? C3 C4 C5 118.6(3) . . ? C3 C4 C8 120.9(3) . . ? C5 C4 C8 120.5(3) . . ? C4 C5 C6 121.6(3) . . ? C4 C5 H5 119.2 . . ? C6 C5 H5 119.2 . . ? C5 C6 C1 117.6(3) . . ? C5 C6 C7 120.4(3) . 4 ? C1 C6 C7 122.0(3) . 4 ? C2 C7 C6 113.2(2) . 3 ? C2 C7 H71 108.9 . . ? C6 C7 H71 108.9 3 . ? C2 C7 H72 108.9 . . ? C6 C7 H72 108.9 3 . ? H71 C7 H72 107.7 . . ? C9 C8 C4 115.1(3) . . ? C9 C8 H81 108.5 . . ? C4 C8 H81 108.5 . . ? C9 C8 H82 108.5 . . ? C4 C8 H82 108.5 . . ? H81 C8 H82 107.5 . . ? C10 C9 C14 118.2(3) . . ? C10 C9 C8 121.9(3) . . ? C14 C9 C8 119.9(3) . . ? C11 C10 C9 121.3(4) . . ? C11 C10 H10 119.4 . . ? C9 C10 H10 119.4 . . ? C10 C11 C12 120.6(4) . . ? C10 C11 H11 119.7 . . ? C12 C11 H11 119.7 . . ? C11 C12 C13 119.3(4) . . ? C11 C12 H12 120.4 . . ? C13 C12 H12 120.4 . . ? C14 C13 C12 119.9(4) . . ? C14 C13 H13 120.0 . . ? C12 C13 H13 120.0 . . ? C13 C14 C9 120.8(4) . . ? C13 C14 H14 119.6 . . ? C9 C14 H14 119.6 . . ? C11A C1A C10A 122(3) 7_455 7_455 ? C11A C1A C9A 23(2) 7_455 . ? C10A C1A C9A 99.0(15) 7_455 . ? C11A C1A C5A 100(3) 7_455 . ? C10A C1A C5A 132.0(17) 7_455 . ? C9A C1A C5A 119.4(13) . . ? C11A C1A C2A 141(3) 7_455 . ? C10A C1A C2A 22.1(11) 7_455 . ? C9A C1A C2A 118.6(13) . . ? C5A C1A C2A 110.1(12) . . ? C11A C1A C29A 77(2) 7_455 7_455 ? C10A C1A C29A 150.6(17) 7_455 7_455 ? C9A C1A C29A 97.1(12) . 7_455 ? C5A C1A C29A 22.8(8) . 7_455 ? C2A C1A C29A 130.4(13) . 7_455 ? C11A C1A C12A 19(2) 7_455 7_455 ? C10A C1A C12A 106.9(16) 7_455 7_455 ? C9A C1A C12A 12.1(8) . 7_455 ? C5A C1A C12A 107.9(12) . 7_455 ? C2A C1A C12A 124.1(11) . 7_455 ? C29A C1A C12A 86.0(10) 7_455 7_455 ? C11A C1A C26A 158(3) 7_455 7_455 ? C10A C1A C26A 45.5(10) 7_455 7_455 ? C9A C1A C26A 138.3(12) . 7_455 ? C5A C1A C26A 87.0(10) . 7_455 ? C2A C1A C26A 23.4(7) . 7_455 ? C29A C1A C26A 108.3(11) 7_455 7_455 ? C12A C1A C26A 139.8(11) 7_455 7_455 ? C10A C2A C26A 155(3) 7_455 7_455 ? C10A C2A C12A 88(2) 7_455 . ? C26A C2A C12A 115.2(18) 7_455 . ? C10A C2A C1A 39(2) 7_455 . ? C26A C2A C1A 115.6(17) 7_455 . ? C12A C2A C1A 122.2(13) . . ? C10A C2A C3A 145(3) 7_455 . ? C26A C2A C3A 11.9(13) 7_455 . ? C12A C2A C3A 119.3(13) . . ? C1A C2A C3A 106.1(11) . . ? C10A C2A C9A 64(2) 7_455 7_455 ? C26A C2A C9A 138.6(18) 7_455 7_455 ? C12A C2A C9A 23.8(7) . 7_455 ? C1A C2A C9A 99.9(12) . 7_455 ? C3A C2A C9A 140.8(13) . 7_455 ? C10A C2A C25A 151(3) 7_455 7_455 ? C26A C2A C25A 50.9(12) 7_455 7_455 ? C12A C2A C25A 64.3(10) . 7_455 ? C1A C2A C25A 153.7(13) . 7_455 ? C3A C2A C25A 56.6(9) . 7_455 ? C9A C2A C25A 87.9(10) 7_455 7_455 ? C10A C2A C11A 31.5(19) 7_455 7_455 ? C26A C2A C11A 123.8(17) 7_455 7_455 ? C12A C2A C11A 112.4(11) . 7_455 ? C1A C2A C11A 9.8(8) . 7_455 ? C3A C2A C11A 113.6(11) . 7_455 ? C9A C2A C11A 90.2(10) 7_455 7_455 ? C25A C2A C11A 153.0(11) 7_455 7_455 ? C26A C3A C27A 135(3) 7_455 7_455 ? C26A C3A C15A 112(2) 7_455 . ? C27A C3A C15A 111.8(19) 7_455 . ? C26A C3A C2A 16.5(19) 7_455 . ? C27A C3A C2A 123.3(17) 7_455 . ? C15A C3A C2A 117.9(14) . . ? C26A C3A C4A 123(2) 7_455 . ? C27A C3A C4A 15.6(12) 7_455 . ? C15A C3A C4A 119.5(14) . . ? C2A C3A C4A 109.2(11) . . ? C26A C3A C25A 66(2) 7_455 7_455 ? C27A C3A C25A 157(2) 7_455 7_455 ? C15A C3A C25A 46.2(10) . 7_455 ? C2A C3A C25A 74.0(11) . 7_455 ? C4A C3A C25A 156.6(16) . 7_455 ? C26A C3A C45A 168(3) 7_455 7_455 ? C27A C3A C45A 49.9(13) 7_455 7_455 ? C15A C3A C45A 61.9(10) . 7_455 ? C2A C3A C45A 154.8(15) . 7_455 ? C4A C3A C45A 59.3(9) . 7_455 ? C25A C3A C45A 107.7(11) 7_455 7_455 ? C26A C3A C10A 26(2) 7_455 7_455 ? C27A C3A C10A 113.3(15) 7_455 7_455 ? C15A C3A C10A 125.1(13) . 7_455 ? C2A C3A C10A 10.2(7) . 7_455 ? C4A C3A C10A 99.0(10) . 7_455 ? C25A C3A C10A 83.1(10) 7_455 7_455 ? C45A C3A C10A 147.8(12) 7_455 7_455 ? C27A C4A C28A 159(3) 7_455 7_455 ? C27A C4A C18A 109(2) 7_455 . ? C28A C4A C18A 91.5(16) 7_455 . ? C27A C4A C5A 124(2) 7_455 . ? C28A C4A C5A 34.4(14) 7_455 . ? C18A C4A C5A 122.3(13) . . ? C27A C4A C3A 20.3(17) 7_455 . ? C28A C4A C3A 140.4(19) 7_455 . ? C18A C4A C3A 120.2(12) . . ? C5A C4A C3A 106.3(12) . . ? C27A C4A C45A 59.4(17) 7_455 7_455 ? C28A C4A C45A 140.4(18) 7_455 7_455 ? C18A C4A C45A 49.8(8) . 7_455 ? C5A C4A C45A 158.3(14) . 7_455 ? C3A C4A C45A 71.9(10) . 7_455 ? C27A C4A C47A 145(2) 7_455 7_455 ? C28A C4A C47A 55.1(13) 7_455 7_455 ? C18A C4A C47A 36.5(7) . 7_455 ? C5A C4A C47A 86.5(11) . 7_455 ? C3A C4A C47A 148.5(13) . 7_455 ? C45A C4A C47A 85.6(9) 7_455 7_455 ? C27A C4A C26A 35.0(17) 7_455 7_455 ? C28A C4A C26A 124.4(17) 7_455 7_455 ? C18A C4A C26A 134.4(12) . 7_455 ? C5A C4A C26A 90.1(10) . 7_455 ? C3A C4A C26A 16.4(7) . 7_455 ? C45A C4A C26A 87.9(10) 7_455 7_455 ? C47A C4A C26A 152.9(11) 7_455 7_455 ? C27A C4A C29A 128(2) 7_455 7_455 ? C28A C4A C29A 31.5(12) 7_455 7_455 ? C18A C4A C29A 116.2(11) . 7_455 ? C5A C4A C29A 7.1(9) . 7_455 ? C3A C4A C29A 108.9(10) . 7_455 ? C45A C4A C29A 151.9(11) 7_455 7_455 ? C47A C4A C29A 80.9(8) 7_455 7_455 ? C26A C4A C29A 93.0(9) 7_455 7_455 ? C29A C5A C28A 133(3) 7_455 7_455 ? C29A C5A C6A 42(2) 7_455 . ? C28A C5A C6A 91.3(15) 7_455 . ? C29A C5A C1A 82(2) 7_455 . ? C28A C5A C1A 137.0(17) 7_455 . ? C6A C5A C1A 122.6(14) . . ? C29A C5A C4A 154(3) 7_455 . ? C28A C5A C4A 29.2(10) 7_455 . ? C6A C5A C4A 117.6(14) . . ? C1A C5A C4A 108.2(12) . . ? C29A C5A C11A 64(2) 7_455 7_455 ? C28A C5A C11A 151.7(17) 7_455 7_455 ? C6A C5A C11A 104.7(12) . 7_455 ? C1A C5A C11A 18.4(7) . 7_455 ? C4A C5A C11A 124.7(13) . 7_455 ? C29A C5A C27A 159(3) 7_455 7_455 ? C28A C5A C27A 46.0(10) 7_455 7_455 ? C6A C5A C27A 132.7(13) . 7_455 ? C1A C5A C27A 91.7(10) . 7_455 ? C4A C5A C27A 16.8(7) . 7_455 ? C11A C5A C27A 108.8(11) 7_455 7_455 ? C29A C5A C30A 23(2) 7_455 7_455 ? C28A C5A C30A 111.1(15) 7_455 7_455 ? C6A C5A C30A 23.1(7) . 7_455 ? C1A C5A C30A 99.5(11) . 7_455 ? C4A C5A C30A 132.8(13) . 7_455 ? C11A C5A C30A 81.7(10) 7_455 7_455 ? C27A C5A C30A 143.0(12) 7_455 7_455 ? C30A C6A C29A 98.6(17) 7_455 7_455 ? C30A C6A C5A 119.2(17) 7_455 . ? C29A C6A C5A 22.1(11) 7_455 . ? C30A C6A C20A 106.2(17) 7_455 . ? C29A C6A C20A 139.5(17) 7_455 . ? C5A C6A C20A 119.9(14) . . ? C30A C6A C7A 3.2(13) 7_455 . ? C29A C6A C7A 96.0(14) 7_455 . ? C5A C6A C7A 116.9(13) . . ? C20A C6A C7A 109.4(13) . . ? C30A C6A C31A 62.8(12) 7_455 7_455 ? C29A C6A C31A 148.8(15) 7_455 7_455 ? C5A C6A C31A 149.2(14) . 7_455 ? C20A C6A C31A 43.8(10) . 7_455 ? C7A C6A C31A 65.9(10) . 7_455 ? C30A C6A C28A 145.2(17) 7_455 7_455 ? C29A C6A C28A 55.3(9) 7_455 7_455 ? C5A C6A C28A 33.4(9) . 7_455 ? C20A C6A C28A 87.6(11) . 7_455 ? C7A C6A C28A 144.3(13) . 7_455 ? C31A C6A C28A 126.6(11) 7_455 7_455 ? C30A C6A C48A 108.3(15) 7_455 7_455 ? C29A C6A C48A 133.4(13) 7_455 7_455 ? C5A C6A C48A 114.3(11) . 7_455 ? C20A C6A C48A 6.3(13) . 7_455 ? C7A C6A C48A 111.5(11) . 7_455 ? C31A C6A C48A 47.0(7) 7_455 7_455 ? C28A C6A C48A 82.6(8) 7_455 7_455 ? C30A C7A C13A 142(3) 7_455 7_455 ? C30A C7A C8A 125(3) 7_455 . ? C13A C7A C8A 22.0(10) 7_455 . ? C30A C7A C22A 103(3) 7_455 . ? C13A C7A C22A 98.0(16) 7_455 . ? C8A C7A C22A 119.7(14) . . ? C30A C7A C6A 4.8(19) 7_455 . ? C13A C7A C6A 140(2) 7_455 . ? C8A C7A C6A 121.9(15) . . ? C22A C7A C6A 107.4(13) . . ? C30A C7A C31A 54(2) 7_455 7_455 ? C13A C7A C31A 137.4(19) 7_455 7_455 ? C8A C7A C31A 150.4(17) . 7_455 ? C22A C7A C31A 48.7(9) . 7_455 ? C6A C7A C31A 58.8(9) . 7_455 ? C30A C7A C29A 37(2) 7_455 7_455 ? C13A C7A C29A 108.8(16) 7_455 7_455 ? C8A C7A C29A 89.1(12) . 7_455 ? C22A C7A C29A 135.3(14) . 7_455 ? C6A C7A C29A 33.0(8) . 7_455 ? C31A C7A C29A 89.0(10) 7_455 7_455 ? C30A C7A C14A 143(3) 7_455 7_455 ? C13A C7A C14A 38.4(11) 7_455 7_455 ? C8A C7A C14A 60.1(10) . 7_455 ? C22A C7A C14A 59.7(9) . 7_455 ? C6A C7A C14A 146.5(15) . 7_455 ? C31A C7A C14A 102.3(11) 7_455 7_455 ? C29A C7A C14A 134.9(13) 7_455 7_455 ? C13A C8A C12A 153(3) 7_455 7_455 ? C13A C8A C7A 36.9(19) 7_455 . ? C12A C8A C7A 134.7(19) 7_455 . ? C13A C8A C9A 148(2) 7_455 . ? C12A C8A C9A 17.6(13) 7_455 . ? C7A C8A C9A 119.1(13) . . ? C13A C8A C25A 82(2) 7_455 . ? C12A C8A C25A 93.5(17) 7_455 . ? C7A C8A C25A 118.9(14) . . ? C9A C8A C25A 110.8(13) . . ? C13A C8A C14A 41.7(19) 7_455 7_455 ? C12A C8A C14A 127.6(18) 7_455 7_455 ? C7A C8A C14A 78.1(11) . 7_455 ? C9A C8A C14A 141.0(13) . 7_455 ? C25A C8A C14A 40.9(9) . 7_455 ? C13A C8A C30A 50.5(19) 7_455 7_455 ? C12A C8A C30A 119.1(16) 7_455 7_455 ? C7A C8A C30A 15.6(9) . 7_455 ? C9A C8A C30A 103.5(11) . 7_455 ? C25A C8A C30A 129.2(13) . 7_455 ? C14A C8A C30A 89.6(10) 7_455 7_455 ? C13A C8A C11A 125(2) 7_455 7_455 ? C12A C8A C11A 43.5(12) 7_455 7_455 ? C7A C8A C11A 92.8(11) . 7_455 ? C9A C8A C11A 26.4(8) . 7_455 ? C25A C8A C11A 132.5(12) . 7_455 ? C14A C8A C11A 144.2(12) 7_455 7_455 ? C30A C8A C11A 77.3(8) 7_455 7_455 ? C12A C9A C11A 133(3) 7_455 7_455 ? C12A C9A C1A 141(3) 7_455 . ? C11A C9A C1A 12.4(11) 7_455 . ? C12A C9A C10A 83(2) 7_455 . ? C11A C9A C10A 132.3(17) 7_455 . ? C1A C9A C10A 120.0(13) . . ? C12A C9A C8A 24.9(17) 7_455 . ? C11A C9A C8A 109.9(16) 7_455 . ? C1A C9A C8A 120.1(13) . . ? C10A C9A C8A 107.3(13) . . ? C12A C9A C2A 60.2(19) 7_455 7_455 ? C11A C9A C2A 149.2(17) 7_455 7_455 ? C1A C9A C2A 138.3(13) . 7_455 ? C10A C9A C2A 22.6(7) . 7_455 ? C8A C9A C2A 84.8(12) . 7_455 ? C12A C9A C10A 152(2) 7_455 7_455 ? C11A C9A C10A 45.9(11) 7_455 7_455 ? C1A C9A C10A 33.5(9) . 7_455 ? C10A C9A C10A 87.1(12) . 7_455 ? C8A C9A C10A 145.9(13) . 7_455 ? C2A C9A C10A 107.6(12) 7_455 7_455 ? C12A C9A C13A 30.8(17) 7_455 7_455 ? C11A C9A C13A 102.6(15) 7_455 7_455 ? C1A C9A C13A 112.1(11) . 7_455 ? C10A C9A C13A 110.2(11) . 7_455 ? C8A C9A C13A 9.2(7) . 7_455 ? C2A C9A C13A 88.4(10) 7_455 7_455 ? C10A C9A C13A 136.6(11) 7_455 7_455 ? C2A C10A C1A 119(3) 7_455 7_455 ? C2A C10A C11A 135(3) 7_455 . ? C1A C10A C11A 18.4(11) 7_455 . ? C2A C10A C9A 93(2) 7_455 . ? C1A C10A C9A 139.3(17) 7_455 . ? C11A C10A C9A 121.6(13) . . ? C2A C10A C26A 14.8(18) 7_455 . ? C1A C10A C26A 103.9(16) 7_455 . ? C11A C10A C26A 120.6(14) . . ? C9A C10A C26A 106.9(12) . . ? C2A C10A C12A 67.9(19) 7_455 7_455 ? C1A C10A C12A 154.5(19) 7_455 7_455 ? C11A C10A C12A 141.5(14) . 7_455 ? C9A C10A C12A 25.3(7) . 7_455 ? C26A C10A C12A 81.6(11) . 7_455 ? C2A C10A C9A 154(3) 7_455 7_455 ? C1A C10A C9A 47.5(10) 7_455 7_455 ? C11A C10A C9A 29.1(8) . 7_455 ? C9A C10A C9A 92.9(12) . 7_455 ? C26A C10A C9A 143.9(14) . 7_455 ? C12A C10A C9A 115.3(14) 7_455 7_455 ? C2A C10A C3A 24.7(19) 7_455 7_455 ? C1A C10A C3A 94.2(15) 7_455 7_455 ? C11A C10A C3A 110.3(12) . 7_455 ? C9A C10A C3A 112.9(11) . 7_455 ? C26A C10A C3A 10.9(8) . 7_455 ? C12A C10A C3A 88.2(11) 7_455 7_455 ? C9A C10A C3A 133.1(12) 7_455 7_455 ? C1A C11A C9A 145(3) 7_455 7_455 ? C1A C11A C10A 40(2) 7_455 . ? C9A C11A C10A 105.0(15) 7_455 . ? C1A C11A C29A 83(3) 7_455 . ? C9A C11A C29A 126.9(16) 7_455 . ? C10A C11A C29A 118.6(13) . . ? C1A C11A C12A 155(3) 7_455 . ? C9A C11A C12A 19.0(11) 7_455 . ? C10A C11A C12A 119.1(12) . . ? C29A C11A C12A 108.0(11) . . ? C1A C11A C5A 62(2) 7_455 7_455 ? C9A C11A C5A 145.7(16) 7_455 7_455 ? C10A C11A C5A 98.4(13) . 7_455 ? C29A C11A C5A 21.0(7) . 7_455 ? C12A C11A C5A 126.9(11) . 7_455 ? C1A C11A C2A 29(2) 7_455 7_455 ? C9A C11A C2A 116.0(16) 7_455 7_455 ? C10A C11A C2A 13.5(8) . 7_455 ? C29A C11A C2A 105.0(11) . 7_455 ? C12A C11A C2A 127.6(11) . 7_455 ? C5A C11A C2A 85.0(10) 7_455 7_455 ? C1A C11A C8A 158(3) 7_455 7_455 ? C9A C11A C8A 43.7(11) 7_455 7_455 ? C10A C11A C8A 140.5(12) . 7_455 ? C29A C11A C8A 83.4(9) . 7_455 ? C12A C11A C8A 25.3(7) . 7_455 ? C5A C11A C8A 103.3(10) 7_455 7_455 ? C2A C11A C8A 144.2(10) 7_455 7_455 ? C9A C12A C8A 137(3) 7_455 7_455 ? C9A C12A C2A 96(2) 7_455 . ? C8A C12A C2A 125.8(19) 7_455 . ? C9A C12A C11A 27.9(19) 7_455 . ? C8A C12A C11A 111.3(17) 7_455 . ? C2A C12A C11A 118.3(13) . . ? C9A C12A C13A 136(2) 7_455 . ? C8A C12A C13A 10.7(12) 7_455 . ? C2A C12A C13A 123.0(14) . . ? C11A C12A C13A 108.5(11) . . ? C9A C12A C10A 71.9(18) 7_455 7_455 ? C8A C12A C10A 149(2) 7_455 7_455 ? C2A C12A C10A 24.1(8) . 7_455 ? C11A C12A C10A 94.9(11) . 7_455 ? C13A C12A C10A 144.3(14) . 7_455 ? C9A C12A C25A 164(2) 7_455 7_455 ? C8A C12A C25A 55.7(13) 7_455 7_455 ? C2A C12A C25A 70.1(10) . 7_455 ? C11A C12A C25A 155.9(13) . 7_455 ? C13A C12A C25A 54.6(9) . 7_455 ? C10A C12A C25A 93.9(11) 7_455 7_455 ? C9A C12A C26A 120(2) 7_455 7_455 ? C8A C12A C26A 101.8(16) 7_455 7_455 ? C2A C12A C26A 24.0(8) . 7_455 ? C11A C12A C26A 138.9(11) . 7_455 ? C13A C12A C26A 99.5(11) . 7_455 ? C10A C12A C26A 47.9(8) 7_455 7_455 ? C25A C12A C26A 46.1(7) 7_455 7_455 ? C9A C12A C1A 26.5(18) 7_455 7_455 ? C8A C12A C1A 114.9(17) 7_455 7_455 ? C2A C12A C1A 112.8(11) . 7_455 ? C11A C12A C1A 6.4(8) . 7_455 ? C13A C12A C1A 111.1(11) . 7_455 ? C10A C12A C1A 89.8(10) 7_455 7_455 ? C25A C12A C1A 153.4(12) 7_455 7_455 ? C26A C12A C1A 132.7(10) 7_455 7_455 ? C8A C13A C7A 121(3) 7_455 7_455 ? C8A C13A C14A 122(2) 7_455 . ? C7A C13A C14A 116.1(17) 7_455 . ? C8A C13A C12A 16.3(17) 7_455 . ? C7A C13A C12A 119.2(16) 7_455 . ? C14A C13A C12A 117.4(13) . . ? C8A C13A C30A 111(2) 7_455 . ? C7A C13A C30A 14.3(13) 7_455 . ? C14A C13A C30A 122.3(13) . . ? C12A C13A C30A 106.6(11) . . ? C8A C13A C25A 74(2) 7_455 7_455 ? C7A C13A C25A 162.5(18) 7_455 7_455 ? C14A C13A C25A 47.5(10) . 7_455 ? C12A C13A C25A 72.9(10) . 7_455 ? C30A C13A C25A 159.6(15) . 7_455 ? C8A C13A C22A 169(2) 7_455 7_455 ? C7A C13A C22A 50.7(12) 7_455 7_455 ? C14A C13A C22A 65.5(10) . 7_455 ? C12A C13A C22A 155.5(13) . 7_455 ? C30A C13A C22A 59.2(9) . 7_455 ? C25A C13A C22A 112.9(11) 7_455 7_455 ? C8A C13A C9A 22.9(17) 7_455 7_455 ? C7A C13A C9A 106.1(15) 7_455 7_455 ? C14A C13A C9A 128.3(13) . 7_455 ? C12A C13A C9A 13.1(8) . 7_455 ? C30A C13A C9A 93.6(10) . 7_455 ? C25A C13A C9A 85.6(10) 7_455 7_455 ? C22A C13A C9A 146.6(11) 7_455 7_455 ? C24A C14A C25A 86.3(18) 7_455 7_455 ? C24A C14A C23A 82.0(17) 7_455 7_455 ? C25A C14A C23A 166(2) 7_455 7_455 ? C24A C14A C13A 157(2) 7_455 . ? C25A C14A C13A 71.4(13) 7_455 . ? C23A C14A C13A 119.2(16) 7_455 . ? C24A C14A C15A 37.0(15) 7_455 . ? C25A C14A C15A 52.7(12) 7_455 . ? C23A C14A C15A 113.8(14) 7_455 . ? C13A C14A C15A 120.3(14) . . ? C24A C14A C33A 81.5(17) 7_455 . ? C25A C14A C33A 161.7(19) 7_455 . ? C23A C14A C33A 6(2) 7_455 . ? C13A C14A C33A 118.7(14) . . ? C15A C14A C33A 111.3(12) . . ? C24A C14A C8A 141(2) 7_455 7_455 ? C25A C14A C8A 54.8(10) 7_455 7_455 ? C23A C14A C8A 135.2(16) 7_455 7_455 ? C13A C14A C8A 16.6(8) . 7_455 ? C15A C14A C8A 104.2(11) . 7_455 ? C33A C14A C8A 134.0(13) . 7_455 ? C24A C14A C22A 132.2(19) 7_455 7_455 ? C25A C14A C22A 140.4(15) 7_455 7_455 ? C23A C14A C22A 50.2(10) 7_455 7_455 ? C13A C14A C22A 69.3(10) . 7_455 ? C15A C14A C22A 155.6(16) . 7_455 ? C33A C14A C22A 50.8(10) . 7_455 ? C8A C14A C22A 85.7(10) 7_455 7_455 ? C24A C14A C7A 171(3) 7_455 7_455 ? C25A C14A C7A 96.6(12) 7_455 7_455 ? C23A C14A C7A 93.8(13) 7_455 7_455 ? C13A C14A C7A 25.5(8) . 7_455 ? C15A C14A C7A 141.6(14) . 7_455 ? C33A C14A C7A 93.5(11) . 7_455 ? C8A C14A C7A 41.9(6) 7_455 7_455 ? C22A C14A C7A 43.9(6) 7_455 7_455 ? C24A C15A C25A 80.6(16) 7_455 7_455 ? C24A C15A C44A 78.6(14) 7_455 7_455 ? C25A C15A C44A 157.2(18) 7_455 7_455 ? C24A C15A C3A 154(2) 7_455 . ? C25A C15A C3A 75.1(12) 7_455 . ? C44A C15A C3A 123.5(16) 7_455 . ? C24A C15A C16A 82.1(15) 7_455 . ? C25A C15A C16A 157.4(16) 7_455 . ? C44A C15A C16A 6.3(19) 7_455 . ? C3A C15A C16A 118.7(13) . . ? C24A C15A C14A 32.2(14) 7_455 . ? C25A C15A C14A 51.3(11) 7_455 . ? C44A C15A C14A 106.2(14) 7_455 . ? C3A C15A C14A 122.1(14) . . ? C16A C15A C14A 107.9(11) . . ? C24A C15A C45A 130.3(17) 7_455 7_455 ? C25A C15A C45A 145.6(14) 7_455 7_455 ? C44A C15A C45A 52.2(10) 7_455 7_455 ? C3A C15A C45A 71.5(11) . 7_455 ? C16A C15A C45A 48.3(9) . 7_455 ? C14A C15A C45A 149.5(14) . 7_455 ? C24A C15A C26A 135.3(18) 7_455 7_455 ? C25A C15A C26A 55.6(9) 7_455 7_455 ? C44A C15A C26A 141.8(16) 7_455 7_455 ? C3A C15A C26A 19.5(8) . 7_455 ? C16A C15A C26A 136.4(13) . 7_455 ? C14A C15A C26A 103.4(12) . 7_455 ? C45A C15A C26A 90.7(10) 7_455 7_455 ? C24A C15A C27A 168(2) 7_455 7_455 ? C25A C15A C27A 99.7(11) 7_455 7_455 ? C44A C15A C27A 98.7(13) 7_455 7_455 ? C3A C15A C27A 24.9(8) . 7_455 ? C16A C15A C27A 94.2(10) . 7_455 ? C14A C15A C27A 142.2(13) . 7_455 ? C45A C15A C27A 46.7(6) 7_455 7_455 ? C26A C15A C27A 44.2(6) 7_455 7_455 ? C44A C16A C45A 102(7) 7_455 7_455 ? C44A C16A C43A 122(7) 7_455 7_455 ? C45A C16A C43A 136.5(17) 7_455 7_455 ? C44A C16A C17A 149(7) 7_455 . ? C45A C16A C17A 48.7(10) 7_455 . ? C43A C16A C17A 88.2(13) 7_455 . ? C44A C16A C34A 91(7) 7_455 . ? C45A C16A C34A 160(2) 7_455 . ? C43A C16A C34A 34.8(10) 7_455 . ? C17A C16A C34A 120.1(15) . . ? C44A C16A C15A 40(10) 7_455 . ? C45A C16A C15A 76.7(12) 7_455 . ? C43A C16A C15A 138.9(14) 7_455 . ? C17A C16A C15A 122.2(13) . . ? C34A C16A C15A 105.1(12) . . ? C44A C16A C24A 34(10) 7_455 7_455 ? C45A C16A C24A 111.9(14) 7_455 7_455 ? C43A C16A C24A 106.3(12) 7_455 7_455 ? C17A C16A C24A 153.0(16) . 7_455 ? C34A C16A C24A 71.5(11) . 7_455 ? C15A C16A C24A 35.2(9) . 7_455 ? C46A C17A C45A 87.2(14) 7_455 7_455 ? C46A C17A C16A 147.2(17) 7_455 . ? C45A C17A C16A 62.7(12) 7_455 . ? C46A C17A C37A 85.3(14) 7_455 . ? C45A C17A C37A 162.2(17) 7_455 . ? C16A C17A C37A 119.3(13) . . ? C46A C17A C18A 27.4(10) 7_455 . ? C45A C17A C18A 60.6(10) 7_455 . ? C16A C17A C18A 120.1(12) . . ? C37A C17A C18A 109.1(11) . . ? C46A C17A C58A 66.5(11) 7_455 7_455 ? C45A C17A C58A 149.5(15) 7_455 7_455 ? C16A C17A C58A 136.4(14) . 7_455 ? C37A C17A C58A 18.8(7) . 7_455 ? C18A C17A C58A 90.8(10) . 7_455 ? C46A C17A C44A 144.3(17) 7_455 7_455 ? C45A C17A C44A 58.9(10) 7_455 7_455 ? C16A C17A C44A 4.1(12) . 7_455 ? C37A C17A C44A 123.5(13) . 7_455 ? C18A C17A C44A 117.0(13) . 7_455 ? C58A C17A C44A 140.5(14) 7_455 7_455 ? C46A C17A C57A 116.7(15) 7_455 7_455 ? C45A C17A C57A 148.3(14) 7_455 7_455 ? C16A C17A C57A 88.2(10) . 7_455 ? C37A C17A C57A 31.9(8) . 7_455 ? C18A C17A C57A 137.5(12) . 7_455 ? C58A C17A C57A 50.6(8) 7_455 7_455 ? C44A C17A C57A 92.2(10) 7_455 7_455 ? C46A C17A C43A 157.3(16) 7_455 7_455 ? C45A C17A C43A 107.4(13) 7_455 7_455 ? C16A C17A C43A 44.9(9) . 7_455 ? C37A C17A C43A 75.6(10) . 7_455 ? C18A C17A C43A 154.6(12) . 7_455 ? C58A C17A C43A 94.1(10) 7_455 7_455 ? C44A C17A C43A 48.8(7) 7_455 7_455 ? C57A C17A C43A 43.8(6) 7_455 7_455 ? C46A C18A C47A 109.7(17) 7_455 7_455 ? C46A C18A C45A 83.1(14) 7_455 7_455 ? C47A C18A C45A 158.9(15) 7_455 7_455 ? C46A C18A C4A 155.4(16) 7_455 . ? C47A C18A C4A 88.7(12) 7_455 . ? C45A C18A C4A 74.8(11) 7_455 . ? C46A C18A C17A 36.8(13) 7_455 . ? C47A C18A C17A 140.1(14) 7_455 . ? C45A C18A C17A 47.2(9) 7_455 . ? C4A C18A C17A 119.1(11) . . ? C46A C18A C19A 77.4(14) 7_455 . ? C47A C18A C19A 32.3(9) 7_455 . ? C45A C18A C19A 153.2(12) 7_455 . ? C4A C18A C19A 119.0(10) . . ? C17A C18A C19A 109.5(10) . . ? C46A C18A C28A 163.4(16) 7_455 7_455 ? C47A C18A C28A 60.0(9) 7_455 7_455 ? C45A C18A C28A 103.3(11) 7_455 7_455 ? C4A C18A C28A 28.8(6) . 7_455 ? C17A C18A C28A 143.7(11) . 7_455 ? C19A C18A C28A 91.1(8) . 7_455 ? C46A C18A C27A 136.0(16) 7_455 7_455 ? C47A C18A C27A 109.4(12) 7_455 7_455 ? C45A C18A C27A 53.8(8) 7_455 7_455 ? C4A C18A C27A 21.0(7) . 7_455 ? C17A C18A C27A 99.1(9) . 7_455 ? C19A C18A C27A 138.0(10) . 7_455 ? C28A C18A C27A 49.8(6) 7_455 7_455 ? C47A C19A C48A 98.6(16) 7_455 7_455 ? C47A C19A C20A 76.1(15) 7_455 . ? C48A C19A C20A 22.5(11) 7_455 . ? C47A C19A C38A 143.4(16) 7_455 . ? C48A C19A C38A 106.3(14) 7_455 . ? C20A C19A C38A 126.6(14) . . ? C47A C19A C18A 42.6(12) 7_455 . ? C48A C19A C18A 137.0(14) 7_455 . ? C20A C19A C18A 116.1(13) . . ? C38A C19A C18A 103.0(10) . . ? C47A C19A C46A 71.3(12) 7_455 7_455 ? C48A C19A C46A 157.6(15) 7_455 7_455 ? C20A C19A C46A 142.3(15) . 7_455 ? C38A C19A C46A 75.7(10) . 7_455 ? C18A C19A C46A 28.7(7) . 7_455 ? C47A C19A C49A 146.9(16) 7_455 7_455 ? C48A C19A C49A 56.0(10) 7_455 7_455 ? C20A C19A C49A 77.5(11) . 7_455 ? C38A C19A C49A 50.4(9) . 7_455 ? C18A C19A C49A 144.2(10) . 7_455 ? C46A C19A C49A 123.3(10) 7_455 7_455 ? C47A C19A C58A 115.1(14) 7_455 7_455 ? C48A C19A C58A 132.2(14) 7_455 7_455 ? C20A C19A C58A 146.7(16) . 7_455 ? C38A C19A C58A 29.7(7) . 7_455 ? C18A C19A C58A 73.4(7) . 7_455 ? C46A C19A C58A 46.0(6) 7_455 7_455 ? C49A C19A C58A 78.6(7) 7_455 7_455 ? C48A C20A C31A 117(3) 7_455 7_455 ? C48A C20A C19A 37.9(18) 7_455 . ? C31A C20A C19A 148(3) 7_455 . ? C48A C20A C6A 159(4) 7_455 . ? C31A C20A C6A 72.2(13) 7_455 . ? C19A C20A C6A 125.0(17) . . ? C48A C20A C21A 83(2) 7_455 . ? C31A C20A C21A 34.2(10) 7_455 . ? C19A C20A C21A 119.5(16) . . ? C6A C20A C21A 106.3(14) . . ? C48A C20A C47A 72(2) 7_455 7_455 ? C31A C20A C47A 152(3) 7_455 7_455 ? C19A C20A C47A 33.8(8) . 7_455 ? C6A C20A C47A 92.1(13) . 7_455 ? C21A C20A C47A 149(2) . 7_455 ? C48A C20A C30A 153(4) 7_455 7_455 ? C31A C20A C30A 45.8(10) 7_455 7_455 ? C19A C20A C30A 143(2) . 7_455 ? C6A C20A C30A 26.7(7) . 7_455 ? C21A C20A C30A 79.7(11) . 7_455 ? C47A C20A C30A 114.8(16) 7_455 7_455 ? C48A C20A C49A 25(2) 7_455 7_455 ? C31A C20A C49A 92.1(15) 7_455 7_455 ? C19A C20A C49A 59.4(10) . 7_455 ? C6A C20A C49A 151(2) . 7_455 ? C21A C20A C49A 60.2(9) . 7_455 ? C47A C20A C49A 91.5(12) 7_455 7_455 ? C30A C20A C49A 130.5(16) 7_455 7_455 ? C31A C21A C32A 108(2) 7_455 7_455 ? C31A C21A C40A 149(2) 7_455 . ? C32A C21A C40A 73.5(15) 7_455 . ? C31A C21A C20A 47.8(14) 7_455 . ? C32A C21A C20A 145(2) 7_455 . ? C40A C21A C20A 114.3(14) . . ? C31A C21A C22A 60.7(14) 7_455 . ? C32A C21A C22A 50.7(13) 7_455 . ? C40A C21A C22A 123.5(14) . . ? C20A C21A C22A 108.1(14) . . ? C31A C21A C48A 70.5(14) 7_455 7_455 ? C32A C21A C48A 147.1(19) 7_455 7_455 ? C40A C21A C48A 91.9(12) . 7_455 ? C20A C21A C48A 23.2(8) . 7_455 ? C22A C21A C48A 129.3(14) . 7_455 ? C31A C21A C50A 147(3) 7_455 7_455 ? C32A C21A C50A 62.5(13) 7_455 7_455 ? C40A C21A C50A 11.1(11) . 7_455 ? C20A C21A C50A 121.8(16) . 7_455 ? C22A C21A C50A 112.4(14) . 7_455 ? C48A C21A C50A 100.4(13) 7_455 7_455 ? C31A C21A C49A 117.9(17) 7_455 7_455 ? C32A C21A C49A 110.8(16) 7_455 7_455 ? C40A C21A C49A 41.1(9) . 7_455 ? C20A C21A C49A 73.8(10) . 7_455 ? C22A C21A C49A 150.4(15) . 7_455 ? C48A C21A C49A 50.9(7) 7_455 7_455 ? C50A C21A C49A 50.6(8) 7_455 7_455 ? C32A C22A C31A 74.7(12) 7_455 7_455 ? C32A C22A C23A 73.1(16) 7_455 . ? C31A C22A C23A 141(2) 7_455 . ? C32A C22A C33A 65.0(12) 7_455 7_455 ? C31A C22A C33A 133.2(17) 7_455 7_455 ? C23A C22A C33A 8.3(15) . 7_455 ? C32A C22A C7A 141(2) 7_455 . ? C31A C22A C7A 73.7(12) 7_455 . ? C23A C22A C7A 122.5(17) . . ? C33A C22A C7A 127.2(15) 7_455 . ? C32A C22A C21A 41.7(11) 7_455 . ? C31A C22A C21A 35.1(9) 7_455 . ? C23A C22A C21A 114.4(17) . . ? C33A C22A C21A 106.2(14) 7_455 . ? C7A C22A C21A 108.5(13) . . ? C32A C22A C30A 123.5(16) 7_455 7_455 ? C31A C22A C30A 53.6(9) 7_455 7_455 ? C23A C22A C30A 136(2) . 7_455 ? C33A C22A C30A 138.0(16) 7_455 7_455 ? C7A C22A C30A 20.1(8) . 7_455 ? C21A C22A C30A 88.5(11) . 7_455 ? C32A C22A C14A 113.4(16) 7_455 7_455 ? C31A C22A C14A 136.2(17) 7_455 7_455 ? C23A C22A C14A 46.5(12) . 7_455 ? C33A C22A C14A 52.7(8) 7_455 7_455 ? C7A C22A C14A 76.5(10) . 7_455 ? C21A C22A C14A 144.9(17) . 7_455 ? C30A C22A C14A 93.1(11) 7_455 7_455 ? C32A C22A C13A 142.3(19) 7_455 7_455 ? C31A C22A C13A 101.0(13) 7_455 7_455 ? C23A C22A C13A 91.6(14) . 7_455 ? C33A C22A C13A 97.0(11) 7_455 7_455 ? C7A C22A C13A 31.3(8) . 7_455 ? C21A C22A C13A 132.9(14) . 7_455 ? C30A C22A C13A 49.3(7) 7_455 7_455 ? C14A C22A C13A 45.2(7) 7_455 7_455 ? C33A C23A C14A 136(10) 7_455 7_455 ? C33A C23A C22A 97(8) 7_455 . ? C14A C23A C22A 83.3(16) 7_455 . ? C33A C23A C24A 123(10) 7_455 . ? C14A C23A C24A 34.7(11) 7_455 . ? C22A C23A C24A 117.9(19) . . ? C33A C23A C42A 30(8) 7_455 . ? C14A C23A C42A 136(3) 7_455 . ? C22A C23A C42A 126(2) . . ? C24A C23A C42A 106.8(16) . . ? C33A C23A C32A 53(7) 7_455 7_455 ? C14A C23A C32A 122(2) 7_455 7_455 ? C22A C23A C32A 45.6(11) . 7_455 ? C24A C23A C32A 150(3) . 7_455 ? C42A C23A C32A 80.6(15) . 7_455 ? C33A C23A C34A 58(7) 7_455 7_455 ? C14A C23A C34A 104.5(19) 7_455 7_455 ? C22A C23A C34A 152(3) . 7_455 ? C24A C23A C34A 73.0(13) . 7_455 ? C42A C23A C34A 34.0(10) . 7_455 ? C32A C23A C34A 111(2) 7_455 7_455 ? C14A C24A C15A 111(2) 7_455 7_455 ? C14A C24A C25A 57.1(16) 7_455 . ? C15A C24A C25A 57.8(15) 7_455 . ? C14A C24A C44A 151(3) 7_455 . ? C15A C24A C44A 61.6(16) 7_455 . ? C25A C24A C44A 118.8(16) . . ? C14A C24A C23A 63.3(18) 7_455 . ? C15A C24A C23A 152(3) 7_455 . ? C25A C24A C23A 119.9(17) . . ? C44A C24A C23A 108.8(16) . . ? C14A C24A C33A 67.0(16) 7_455 7_455 ? C15A C24A C33A 147(2) 7_455 7_455 ? C25A C24A C33A 122.6(16) . 7_455 ? C44A C24A C33A 103.0(15) . 7_455 ? C23A C24A C33A 6.4(16) . 7_455 ? C14A C24A C16A 146(3) 7_455 7_455 ? C15A C24A C16A 62.7(13) 7_455 7_455 ? C25A C24A C16A 118.9(14) . 7_455 ? C44A C24A C16A 4.8(18) . 7_455 ? C23A C24A C16A 105.6(15) . 7_455 ? C33A C24A C16A 99.6(13) 7_455 7_455 ? C14A C24A C34A 115(2) 7_455 7_455 ? C15A C24A C34A 110.6(18) 7_455 7_455 ? C25A C24A C34A 151.6(19) . 7_455 ? C44A C24A C34A 52.6(11) . 7_455 ? C23A C24A C34A 56.4(11) . 7_455 ? C33A C24A C34A 51.0(8) 7_455 7_455 ? C16A C24A C34A 49.9(8) 7_455 7_455 ? C14A C25A C15A 76.0(13) 7_455 7_455 ? C14A C25A C24A 36.6(11) 7_455 . ? C15A C25A C24A 41.6(11) 7_455 . ? C14A C25A C26A 147(2) 7_455 . ? C15A C25A C26A 81.8(13) 7_455 . ? C24A C25A C26A 122.8(15) . . ? C14A C25A C8A 84.3(13) 7_455 . ? C15A C25A C8A 149.4(19) 7_455 . ? C24A C25A C8A 120.6(14) . . ? C26A C25A C8A 104.0(12) . . ? C14A C25A C13A 61.1(11) 7_455 7_455 ? C15A C25A C13A 132.1(17) 7_455 7_455 ? C24A C25A C13A 97.6(13) . 7_455 ? C26A C25A C13A 123.8(14) . 7_455 ? C8A C25A C13A 23.2(7) . 7_455 ? C14A C25A C3A 129.4(18) 7_455 7_455 ? C15A C25A C3A 58.7(10) 7_455 7_455 ? C24A C25A C3A 99.9(13) . 7_455 ? C26A C25A C3A 23.2(8) . 7_455 ? C8A C25A C3A 124.0(13) . 7_455 ? C13A C25A C3A 139.2(15) 7_455 7_455 ? C14A C25A C12A 110.8(15) 7_455 7_455 ? C15A C25A C12A 141.7(17) 7_455 7_455 ? C24A C25A C12A 143.0(16) . 7_455 ? C26A C25A C12A 73.2(10) . 7_455 ? C8A C25A C12A 30.8(7) . 7_455 ? C13A C25A C12A 52.5(8) 7_455 7_455 ? C3A C25A C12A 94.1(10) 7_455 7_455 ? C14A C25A C2A 143.4(19) 7_455 7_455 ? C15A C25A C2A 106.2(13) 7_455 7_455 ? C24A C25A C2A 142.7(16) . 7_455 ? C26A C25A C2A 27.6(8) . 7_455 ? C8A C25A C2A 76.4(10) . 7_455 ? C13A C25A C2A 97.1(11) 7_455 7_455 ? C3A C25A C2A 49.5(7) 7_455 7_455 ? C12A C25A C2A 45.6(6) 7_455 7_455 ? C3A C26A C2A 152(3) 7_455 7_455 ? C3A C26A C27A 26.3(17) 7_455 . ? C2A C26A C27A 130.9(19) 7_455 . ? C3A C26A C10A 143(3) 7_455 . ? C2A C26A C10A 10.4(12) 7_455 . ? C27A C26A C10A 120.8(13) . . ? C3A C26A C25A 91(2) 7_455 . ? C2A C26A C25A 101.5(17) 7_455 . ? C27A C26A C25A 116.6(14) . . ? C10A C26A C25A 111.1(12) . . ? C3A C26A C15A 48.5(18) 7_455 7_455 ? C2A C26A C15A 137.0(17) 7_455 7_455 ? C27A C26A C15A 74.2(11) . 7_455 ? C10A C26A C15A 142.8(13) . 7_455 ? C25A C26A C15A 42.5(9) . 7_455 ? C3A C26A C4A 40.9(18) 7_455 7_455 ? C2A C26A C4A 114.8(16) 7_455 7_455 ? C27A C26A C4A 16.1(7) . 7_455 ? C10A C26A C4A 104.7(11) . 7_455 ? C25A C26A C4A 127.4(13) . 7_455 ? C15A C26A C4A 86.4(10) 7_455 7_455 ? C3A C26A C12A 142(3) 7_455 7_455 ? C2A C26A C12A 40.9(12) 7_455 7_455 ? C27A C26A C12A 150.9(14) . 7_455 ? C10A C26A C12A 50.4(9) . 7_455 ? C25A C26A C12A 60.7(9) . 7_455 ? C15A C26A C12A 98.8(10) 7_455 7_455 ? C4A C26A C12A 140.2(11) 7_455 7_455 ? C3A C26A C1A 115(2) 7_455 7_455 ? C2A C26A C1A 41.0(12) 7_455 7_455 ? C27A C26A C1A 90.5(11) . 7_455 ? C10A C26A C1A 30.6(8) . 7_455 ? C25A C26A C1A 136.4(13) . 7_455 ? C15A C26A C1A 144.1(12) 7_455 7_455 ? C4A C26A C1A 74.6(8) 7_455 7_455 ? C12A C26A C1A 78.8(9) 7_455 7_455 ? C4A C27A C3A 144(3) 7_455 7_455 ? C4A C27A C26A 129(2) 7_455 . ? C3A C27A C26A 18.8(12) 7_455 . ? C4A C27A C28A 11.7(16) 7_455 . ? C3A C27A C28A 134.3(18) 7_455 . ? C26A C27A C28A 117.8(13) . . ? C4A C27A C45A 97(2) 7_455 . ? C3A C27A C45A 103.0(18) 7_455 . ? C26A C27A C45A 121.0(14) . . ? C28A C27A C45A 108.1(12) . . ? C4A C27A C18A 49.8(16) 7_455 7_455 ? C3A C27A C18A 142.1(18) 7_455 7_455 ? C26A C27A C18A 151.4(14) . 7_455 ? C28A C27A C18A 61.0(9) . 7_455 ? C45A C27A C18A 47.4(8) . 7_455 ? C4A C27A C15A 144(2) 7_455 7_455 ? C3A C27A C15A 43.3(13) 7_455 7_455 ? C26A C27A C15A 61.7(10) . 7_455 ? C28A C27A C15A 147.1(13) . 7_455 ? C45A C27A C15A 59.6(9) . 7_455 ? C18A C27A C15A 103.0(9) 7_455 7_455 ? C4A C27A C5A 39.0(16) 7_455 7_455 ? C3A C27A C5A 108.2(17) 7_455 7_455 ? C26A C27A C5A 90.8(11) . 7_455 ? C28A C27A C5A 27.4(8) . 7_455 ? C45A C27A C5A 131.3(12) . 7_455 ? C18A C27A C5A 86.6(9) 7_455 7_455 ? C15A C27A C5A 138.2(12) 7_455 7_455 ? C4A C28A C5A 116.3(19) 7_455 7_455 ? C4A C28A C29A 130.9(18) 7_455 . ? C5A C28A C29A 17.6(11) 7_455 . ? C4A C28A C27A 9.8(13) 7_455 . ? C5A C28A C27A 106.6(15) 7_455 . ? C29A C28A C27A 121.7(12) . . ? C4A C28A C47A 98.0(16) 7_455 . ? C5A C28A C47A 136.3(16) 7_455 . ? C29A C28A C47A 118.9(12) . . ? C27A C28A C47A 107.3(11) . . ? C4A C28A C18A 59.7(14) 7_455 7_455 ? C5A C28A C18A 158.0(16) 7_455 7_455 ? C29A C28A C18A 148.6(12) . 7_455 ? C27A C28A C18A 69.2(9) . 7_455 ? C47A C28A C18A 38.4(7) . 7_455 ? C4A C28A C6A 157.4(18) 7_455 7_455 ? C5A C28A C6A 55.3(11) 7_455 7_455 ? C29A C28A C6A 37.9(8) . 7_455 ? C27A C28A C6A 152.7(12) . 7_455 ? C47A C28A C6A 82.5(9) . 7_455 ? C18A C28A C6A 118.8(10) 7_455 7_455 ? C5A C29A C6A 115(3) 7_455 7_455 ? C5A C29A C28A 29(2) 7_455 . ? C6A C29A C28A 86.8(13) 7_455 . ? C5A C29A C11A 95(2) 7_455 . ? C6A C29A C11A 145.0(15) 7_455 . ? C28A C29A C11A 120.5(12) . . ? C5A C29A C1A 75(2) 7_455 7_455 ? C6A C29A C1A 160.7(16) 7_455 7_455 ? C28A C29A C1A 100.8(11) . 7_455 ? C11A C29A C1A 20.3(7) . 7_455 ? C5A C29A C30A 149(3) 7_455 . ? C6A C29A C30A 37.0(9) 7_455 . ? C28A C29A C30A 119.9(12) . . ? C11A C29A C30A 108.4(12) . . ? C1A C29A C30A 127.1(13) 7_455 . ? C5A C29A C7A 160(3) 7_455 7_455 ? C6A C29A C7A 50.9(10) 7_455 7_455 ? C28A C29A C7A 132.6(12) . 7_455 ? C11A C29A C7A 94.7(10) . 7_455 ? C1A C29A C7A 114.0(12) 7_455 7_455 ? C30A C29A C7A 14.0(8) . 7_455 ? C5A C29A C4A 18(2) 7_455 7_455 ? C6A C29A C4A 102.1(13) 7_455 7_455 ? C28A C29A C4A 17.5(6) . 7_455 ? C11A C29A C4A 103.0(10) . 7_455 ? C1A C29A C4A 83.6(9) 7_455 7_455 ? C30A C29A C4A 131.1(12) . 7_455 ? C7A C29A C4A 141.1(11) 7_455 7_455 ? C7A C30A C6A 172(3) 7_455 7_455 ? C7A C30A C31A 106(3) 7_455 . ? C6A C30A C31A 82.1(15) 7_455 . ? C7A C30A C29A 129(3) 7_455 . ? C6A C30A C29A 44.5(12) 7_455 . ? C31A C30A C29A 121.6(13) . . ? C7A C30A C13A 24(2) 7_455 . ? C6A C30A C13A 152.1(18) 7_455 . ? C31A C30A C13A 117.5(13) . . ? C29A C30A C13A 108.4(11) . . ? C7A C30A C22A 57(2) 7_455 7_455 ? C6A C30A C22A 130.6(17) 7_455 7_455 ? C31A C30A C22A 48.5(9) . 7_455 ? C29A C30A C22A 159.6(15) . 7_455 ? C13A C30A C22A 71.4(10) . 7_455 ? C7A C30A C8A 39(2) 7_455 7_455 ? C6A C30A C8A 135.2(16) 7_455 7_455 ? C31A C30A C8A 134.3(13) . 7_455 ? C29A C30A C8A 90.8(10) . 7_455 ? C13A C30A C8A 18.3(7) . 7_455 ? C22A C30A C8A 89.7(10) 7_455 7_455 ? C7A C30A C20A 141(3) 7_455 7_455 ? C6A C30A C20A 47.1(12) 7_455 7_455 ? C31A C30A C20A 35.4(8) . 7_455 ? C29A C30A C20A 87.0(11) . 7_455 ? C13A C30A C20A 146.0(14) . 7_455 ? C22A C30A C20A 83.7(9) 7_455 7_455 ? C8A C30A C20A 153.9(15) 7_455 7_455 ? C7A C30A C5A 136(3) 7_455 7_455 ? C6A C30A C5A 37.7(11) 7_455 7_455 ? C31A C30A C5A 112.9(12) . 7_455 ? C29A C30A C5A 8.8(8) . 7_455 ? C13A C30A C5A 114.6(11) . 7_455 ? C22A C30A C5A 153.1(13) 7_455 7_455 ? C8A C30A C5A 97.5(9) 7_455 7_455 ? C20A C30A C5A 78.5(9) 7_455 7_455 ? C21A C31A C20A 98.0(18) 7_455 7_455 ? C21A C31A C22A 84.2(15) 7_455 7_455 ? C20A C31A C22A 171(2) 7_455 7_455 ? C21A C31A C30A 160.7(19) 7_455 . ? C20A C31A C30A 98.7(15) 7_455 . ? C22A C31A C30A 77.9(13) 7_455 . ? C21A C31A C32A 39.2(14) 7_455 . ? C20A C31A C32A 131.0(17) 7_455 . ? C22A C31A C32A 48.0(11) 7_455 . ? C30A C31A C32A 121.5(13) . . ? C21A C31A C48A 77.3(15) 7_455 . ? C20A C31A C48A 21.5(11) 7_455 . ? C22A C31A C48A 156.4(14) 7_455 . ? C30A C31A C48A 117.9(12) . . ? C32A C31A C48A 109.6(11) . . ? C21A C31A C6A 161.4(19) 7_455 7_455 ? C20A C31A C6A 64.0(11) 7_455 7_455 ? C22A C31A C6A 112.9(13) 7_455 7_455 ? C30A C31A C6A 35.0(8) . 7_455 ? C32A C31A C6A 152.0(14) . 7_455 ? C48A C31A C6A 84.3(10) . 7_455 ? C21A C31A C7A 141.4(18) 7_455 7_455 ? C20A C31A C7A 118.9(15) 7_455 7_455 ? C22A C31A C7A 57.7(10) 7_455 7_455 ? C30A C31A C7A 20.3(8) . 7_455 ? C32A C31A C7A 102.7(12) . 7_455 ? C48A C31A C7A 137.1(12) . 7_455 ? C6A C31A C7A 55.3(8) 7_455 7_455 ? C21A C32A C22A 87.6(15) 7_455 7_455 ? C21A C32A C33A 153.7(19) 7_455 . ? C22A C32A C33A 67.9(13) 7_455 . ? C21A C32A C50A 81.1(16) 7_455 . ? C22A C32A C50A 164(2) 7_455 . ? C33A C32A C50A 120.6(15) . . ? C21A C32A C40A 66.6(13) 7_455 7_455 ? C22A C32A C40A 152.6(16) 7_455 7_455 ? C33A C32A C40A 135.1(15) . 7_455 ? C50A C32A C40A 14.7(11) . 7_455 ? C21A C32A C31A 33.2(11) 7_455 . ? C22A C32A C31A 57.3(11) 7_455 . ? C33A C32A C31A 120.5(14) . . ? C50A C32A C31A 108.6(14) . . ? C40A C32A C31A 95.3(12) 7_455 . ? C21A C32A C23A 148.1(19) 7_455 7_455 ? C22A C32A C23A 61.3(12) 7_455 7_455 ? C33A C32A C23A 6.9(12) . 7_455 ? C50A C32A C23A 127.5(16) . 7_455 ? C40A C32A C23A 141.9(16) 7_455 7_455 ? C31A C32A C23A 115.2(14) . 7_455 ? C21A C32A C41A 117.7(17) 7_455 7_455 ? C22A C32A C41A 152.4(16) 7_455 7_455 ? C33A C32A C41A 85.1(11) . 7_455 ? C50A C32A C41A 36.6(9) . 7_455 ? C40A C32A C41A 51.2(8) 7_455 7_455 ? C31A C32A C41A 142.2(13) . 7_455 ? C23A C32A C41A 91.8(11) 7_455 7_455 ? C21A C32A C42A 159.6(18) 7_455 7_455 ? C22A C32A C42A 109.7(14) 7_455 7_455 ? C33A C32A C42A 41.8(9) . 7_455 ? C50A C32A C42A 79.7(12) . 7_455 ? C40A C32A C42A 94.4(11) 7_455 7_455 ? C31A C32A C42A 153.7(14) . 7_455 ? C23A C32A C42A 48.5(8) 7_455 7_455 ? C41A C32A C42A 43.4(6) 7_455 7_455 ? C23A C33A C42A 145(9) 7_455 7_455 ? C23A C33A C32A 120(7) 7_455 . ? C42A C33A C32A 91.6(14) 7_455 . ? C23A C33A C22A 74(7) 7_455 7_455 ? C42A C33A C22A 138.7(16) 7_455 7_455 ? C32A C33A C22A 47.1(10) . 7_455 ? C23A C33A C14A 38(10) 7_455 . ? C42A C33A C14A 138.0(16) 7_455 . ? C32A C33A C14A 119.1(13) . . ? C22A C33A C14A 76.5(12) 7_455 . ? C23A C33A C34A 115(7) 7_455 . ? C42A C33A C34A 37.0(11) 7_455 . ? C32A C33A C34A 124.9(15) . . ? C22A C33A C34A 163.1(18) 7_455 . ? C14A C33A C34A 102.0(12) . . ? C23A C33A C24A 50(9) 7_455 7_455 ? C42A C33A C24A 109.3(14) 7_455 7_455 ? C32A C33A C24A 148.2(15) . 7_455 ? C22A C33A C24A 108.0(13) 7_455 7_455 ? C14A C33A C24A 31.6(9) . 7_455 ? C34A C33A C24A 72.3(11) . 7_455 ? C43A C34A C42A 117(2) 7_455 7_455 ? C43A C34A C35A 59.5(17) 7_455 . ? C42A C34A C35A 58.8(16) 7_455 . ? C43A C34A C16A 65.4(17) 7_455 . ? C42A C34A C16A 165(3) 7_455 . ? C35A C34A C16A 118.6(15) . . ? C43A C34A C44A 73.1(16) 7_455 7_455 ? C42A C34A C44A 165(3) 7_455 7_455 ? C35A C34A C44A 127.2(16) . 7_455 ? C16A C34A C44A 8.6(12) . 7_455 ? C43A C34A C33A 166(3) 7_455 . ? C42A C34A C33A 60.1(17) 7_455 . ? C35A C34A C33A 113.5(15) . . ? C16A C34A C33A 113.7(13) . . ? C44A C34A C33A 107.2(14) 7_455 . ? C43A C34A C23A 169(3) 7_455 7_455 ? C42A C34A C23A 66.4(15) 7_455 7_455 ? C35A C34A C23A 120.5(16) . 7_455 ? C16A C34A C23A 108.4(14) . 7_455 ? C44A C34A C23A 101.5(14) 7_455 7_455 ? C33A C34A C23A 6.9(13) . 7_455 ? C43A C34A C24A 124.0(19) 7_455 7_455 ? C42A C34A C24A 116.8(19) 7_455 7_455 ? C35A C34A C24A 155.2(19) . 7_455 ? C16A C34A C24A 58.6(10) . 7_455 ? C44A C34A C24A 51.1(9) 7_455 7_455 ? C33A C34A C24A 56.7(10) . 7_455 ? C23A C34A C24A 50.6(9) 7_455 7_455 ? C42A C35A C43A 75.0(13) 7_455 7_455 ? C42A C35A C34A 38.9(11) 7_455 . ? C43A C35A C34A 36.6(10) 7_455 . ? C42A C35A C36A 158(2) 7_455 . ? C43A C35A C36A 89.2(14) 7_455 . ? C34A C35A C36A 122.3(16) . . ? C42A C35A C51A 87.1(14) 7_455 . ? C43A C35A C51A 157(2) 7_455 . ? C34A C35A C51A 122.8(15) . . ? C36A C35A C51A 103.6(14) . . ? C42A C35A C41A 59.8(11) 7_455 7_455 ? C43A C35A C41A 133.8(16) 7_455 7_455 ? C34A C35A C41A 97.2(13) . 7_455 ? C36A C35A C41A 130.7(15) . 7_455 ? C51A C35A C41A 27.7(8) . 7_455 ? C42A C35A C57A 134.6(18) 7_455 7_455 ? C43A C35A C57A 61.2(11) 7_455 7_455 ? C34A C35A C57A 95.9(14) . 7_455 ? C36A C35A C57A 28.1(8) . 7_455 ? C51A C35A C57A 130.7(15) . 7_455 ? C41A C35A C57A 155.4(18) 7_455 7_455 ? C42A C35A C55A 113.6(16) 7_455 7_455 ? C43A C35A C55A 161(2) 7_455 7_455 ? C34A C35A C55A 146.1(17) . 7_455 ? C36A C35A C55A 77.5(11) . 7_455 ? C51A C35A C55A 26.7(8) . 7_455 ? C41A C35A C55A 54.3(9) 7_455 7_455 ? C57A C35A C55A 105.3(12) 7_455 7_455 ? C42A C35A C56A 158(2) 7_455 7_455 ? C43A C35A C56A 116.6(15) 7_455 7_455 ? C34A C35A C56A 145.7(18) . 7_455 ? C36A C35A C56A 27.9(9) . 7_455 ? C51A C35A C56A 76.1(11) . 7_455 ? C41A C35A C56A 103.6(13) 7_455 7_455 ? C57A C35A C56A 55.9(8) 7_455 7_455 ? C55A C35A C56A 49.7(8) 7_455 7_455 ? C56A C36A C57A 169(3) 7_455 7_455 ? C56A C36A C37A 142(2) 7_455 . ? C57A C36A C37A 42.8(16) 7_455 . ? C56A C36A C35A 91.9(19) 7_455 . ? C57A C36A C35A 79(2) 7_455 . ? C37A C36A C35A 116.6(16) . . ? C56A C36A C53A 23.5(14) 7_455 . ? C57A C36A C53A 160(3) 7_455 . ? C37A C36A C53A 119.0(14) . . ? C35A C36A C53A 112.5(14) . . ? C56A C36A C60A 51.0(15) 7_455 7_455 ? C57A C36A C60A 134(2) 7_455 7_455 ? C37A C36A C60A 91.8(12) . 7_455 ? C35A C36A C60A 135.7(15) . 7_455 ? C53A C36A C60A 27.6(8) . 7_455 ? C56A C36A C58A 133(2) 7_455 7_455 ? C57A C36A C58A 52.4(17) 7_455 7_455 ? C37A C36A C58A 9.6(8) . 7_455 ? C35A C36A C58A 123.9(15) . 7_455 ? C53A C36A C58A 109.4(12) . 7_455 ? C60A C36A C58A 82.2(9) 7_455 7_455 ? C56A C36A C43A 131(2) 7_455 7_455 ? C57A C36A C43A 38.8(17) 7_455 7_455 ? C37A C36A C43A 77.5(12) . 7_455 ? C35A C36A C43A 40.3(10) . 7_455 ? C53A C36A C43A 147.7(15) . 7_455 ? C60A C36A C43A 152.9(15) 7_455 7_455 ? C58A C36A C43A 86.0(10) 7_455 7_455 ? C56A C36A C55A 35.8(15) 7_455 7_455 ? C57A C36A C55A 134(2) 7_455 7_455 ? C37A C36A C55A 154.0(17) . 7_455 ? C35A C36A C55A 56.3(9) . 7_455 ? C53A C36A C55A 56.7(9) . 7_455 ? C60A C36A C55A 83.0(10) 7_455 7_455 ? C58A C36A C55A 150.0(14) 7_455 7_455 ? C43A C36A C55A 95.7(10) 7_455 7_455 ? C58A C37A C57A 170(4) 7_455 7_455 ? C58A C37A C36A 142(3) 7_455 . ? C57A C37A C36A 29.5(11) 7_455 . ? C58A C37A C38A 23(2) 7_455 . ? C57A C37A C38A 148.1(18) 7_455 . ? C36A C37A C38A 119.2(14) . . ? C58A C37A C17A 88(3) 7_455 . ? C57A C37A C17A 97.4(16) 7_455 . ? C36A C37A C17A 123.0(14) . . ? C38A C37A C17A 105.8(12) . . ? C58A C37A C59A 52(2) 7_455 7_455 ? C57A C37A C59A 119.8(17) 7_455 7_455 ? C36A C37A C59A 90.4(12) . 7_455 ? C38A C37A C59A 29.3(9) . 7_455 ? C17A C37A C59A 131.7(13) . 7_455 ? C58A C37A C46A 53(2) 7_455 7_455 ? C57A C37A C46A 132.0(17) 7_455 7_455 ? C36A C37A C46A 152.0(15) . 7_455 ? C38A C37A C46A 71.4(10) . 7_455 ? C17A C37A C46A 35.2(7) . 7_455 ? C59A C37A C46A 99.6(11) 7_455 7_455 ? C58A C37A C56A 128(3) 7_455 7_455 ? C57A C37A C56A 42.7(11) 7_455 7_455 ? C36A C37A C56A 13.5(9) . 7_455 ? C38A C37A C56A 105.8(11) . 7_455 ? C17A C37A C56A 131.4(12) . 7_455 ? C59A C37A C56A 77.1(9) 7_455 7_455 ? C46A C37A C56A 151.5(13) 7_455 7_455 ? C59A C38A C58A 101.5(19) 7_455 7_455 ? C59A C38A C49A 72.3(15) 7_455 7_455 ? C58A C38A C49A 159(2) 7_455 7_455 ? C59A C38A C39A 34.6(13) 7_455 . ? C58A C38A C39A 134.2(16) 7_455 . ? C49A C38A C39A 37.8(8) 7_455 . ? C59A C38A C37A 91.2(17) 7_455 . ? C58A C38A C37A 10.6(11) 7_455 . ? C49A C38A C37A 151.8(16) 7_455 . ? C39A C38A C37A 123.6(13) . . ? C59A C38A C19A 145(2) 7_455 . ? C58A C38A C19A 104.2(15) 7_455 . ? C49A C38A C19A 75.4(10) 7_455 . ? C39A C38A C19A 112.7(13) . . ? C37A C38A C19A 112.5(12) . . ? C59A C38A C46A 147(2) 7_455 7_455 ? C58A C38A C46A 51.1(11) 7_455 7_455 ? C49A C38A C46A 125.6(12) 7_455 7_455 ? C39A C38A C46A 154.4(14) . 7_455 ? C37A C38A C46A 60.1(9) . 7_455 ? C19A C38A C46A 53.1(8) . 7_455 ? C59A C38A C48A 117.7(19) 7_455 7_455 ? C58A C38A C48A 129.0(16) 7_455 7_455 ? C49A C38A C48A 47.1(7) 7_455 7_455 ? C39A C38A C48A 84.3(10) . 7_455 ? C37A C38A C48A 134.9(12) . 7_455 ? C19A C38A C48A 28.4(6) . 7_455 ? C46A C38A C48A 79.7(8) 7_455 7_455 ? C59A C39A C49A 102(2) 7_455 7_455 ? C59A C39A C38A 32.2(14) 7_455 . ? C49A C39A C38A 70.0(14) 7_455 . ? C59A C39A C40A 149(2) 7_455 . ? C49A C39A C40A 53.2(12) 7_455 . ? C38A C39A C40A 121.1(13) . . ? C59A C39A C54A 85.5(17) 7_455 . ? C49A C39A C54A 153.2(18) 7_455 . ? C38A C39A C54A 115.6(12) . . ? C40A C39A C54A 109.4(12) . . ? C59A C39A C50A 153(3) 7_455 7_455 ? C49A C39A C50A 65.8(12) 7_455 7_455 ? C38A C39A C50A 130.9(15) . 7_455 ? C40A C39A C50A 13.3(11) . 7_455 ? C54A C39A C50A 96.1(13) . 7_455 ? C59A C39A C60A 60.9(14) 7_455 7_455 ? C49A C39A C60A 151.5(17) 7_455 7_455 ? C38A C39A C60A 91.7(10) . 7_455 ? C40A C39A C60A 131.2(13) . 7_455 ? C54A C39A C60A 24.6(7) . 7_455 ? C50A C39A C60A 118.3(15) 7_455 7_455 ? C50A C40A C49A 135(6) 7_455 7_455 ? C50A C40A C21A 123(5) 7_455 . ? C49A C40A C21A 88.1(13) 7_455 . ? C50A C40A C32A 83(4) 7_455 7_455 ? C49A C40A C32A 123.7(15) 7_455 7_455 ? C21A C40A C32A 40.0(9) . 7_455 ? C50A C40A C41A 8(5) 7_455 . ? C49A C40A C41A 142.8(15) 7_455 . ? C21A C40A C41A 117.8(13) . . ? C32A C40A C41A 77.8(11) 7_455 . ? C50A C40A C39A 100(4) 7_455 . ? C49A C40A C39A 38.1(9) 7_455 . ? C21A C40A C39A 125.2(14) . . ? C32A C40A C39A 150.7(16) 7_455 . ? C41A C40A C39A 107.8(12) . . ? C50A C40A C51A 16(4) 7_455 7_455 ? C49A C40A C51A 120.4(13) 7_455 7_455 ? C21A C40A C51A 135.9(14) . 7_455 ? C32A C40A C51A 97.6(12) 7_455 7_455 ? C41A C40A C51A 23.2(7) . 7_455 ? C39A C40A C51A 84.6(10) . 7_455 ? C51A C41A C50A 101(2) 7_455 7_455 ? C51A C41A C42A 120(2) 7_455 . ? C50A C41A C42A 124.1(19) 7_455 . ? C51A C41A C40A 104(2) 7_455 . ? C50A C41A C40A 2.6(17) 7_455 . ? C42A C41A C40A 122.6(14) . . ? C51A C41A C55A 3.6(17) 7_455 . ? C50A C41A C55A 104.7(17) 7_455 . ? C42A C41A C55A 116.4(15) . . ? C40A C41A C55A 107.3(12) . . ? C51A C41A C35A 71.6(18) 7_455 7_455 ? C50A C41A C35A 149(3) 7_455 7_455 ? C42A C41A C35A 48.9(11) . 7_455 ? C40A C41A C35A 150.6(17) . 7_455 ? C55A C41A C35A 68.1(11) . 7_455 ? C51A C41A C32A 142(2) 7_455 7_455 ? C50A C41A C32A 52.8(12) 7_455 7_455 ? C42A C41A C32A 72.0(11) . 7_455 ? C40A C41A C32A 51.0(9) . 7_455 ? C55A C41A C32A 144.0(13) . 7_455 ? C35A C41A C32A 115.2(12) 7_455 7_455 ? C34A C42A C35A 82.3(18) 7_455 7_455 ? C34A C42A C33A 82.9(18) 7_455 7_455 ? C35A C42A C33A 149(3) 7_455 7_455 ? C34A C42A C41A 148(3) 7_455 . ? C35A C42A C41A 71.3(14) 7_455 . ? C33A C42A C41A 110.9(16) 7_455 . ? C34A C42A C23A 79.7(18) 7_455 . ? C35A C42A C23A 150(3) 7_455 . ? C33A C42A C23A 4.7(16) 7_455 . ? C41A C42A C23A 115.4(17) . . ? C34A C42A C43A 30.4(14) 7_455 . ? C35A C42A C43A 52.7(12) 7_455 . ? C33A C42A C43A 112.2(15) 7_455 . ? C41A C42A C43A 123.2(16) . . ? C23A C42A C43A 109.5(15) . . ? C34A C42A C51A 130(2) 7_455 7_455 ? C35A C42A C51A 52.1(10) 7_455 7_455 ? C33A C42A C51A 124.2(17) 7_455 7_455 ? C41A C42A C51A 19.6(8) . 7_455 ? C23A C42A C51A 128.8(19) . 7_455 ? C43A C42A C51A 103.6(13) . 7_455 ? C34A C42A C32A 125(2) 7_455 7_455 ? C35A C42A C32A 127.8(18) 7_455 7_455 ? C33A C42A C32A 46.6(9) 7_455 7_455 ? C41A C42A C32A 64.5(10) . 7_455 ? C23A C42A C32A 50.9(13) . 7_455 ? C43A C42A C32A 145.9(18) . 7_455 ? C51A C42A C32A 80.2(10) 7_455 7_455 ? C34A C43A C35A 83.9(18) 7_455 7_455 ? C34A C43A C16A 79.8(17) 7_455 7_455 ? C35A C43A C16A 147(2) 7_455 7_455 ? C34A C43A C57A 146(2) 7_455 . ? C35A C43A C57A 69.1(13) 7_455 . ? C16A C43A C57A 112.4(15) 7_455 . ? C34A C43A C44A 73.6(17) 7_455 . ? C35A C43A C44A 147(2) 7_455 . ? C16A C43A C44A 7.3(12) 7_455 . ? C57A C43A C44A 119.8(16) . . ? C34A C43A C42A 32.4(15) 7_455 . ? C35A C43A C42A 52.4(12) 7_455 . ? C16A C43A C42A 111.0(14) 7_455 . ? C57A C43A C42A 120.3(15) . . ? C44A C43A C42A 105.4(13) . . ? C34A C43A C36A 130(2) 7_455 7_455 ? C35A C43A C36A 50.6(9) 7_455 7_455 ? C16A C43A C36A 125.6(14) 7_455 7_455 ? C57A C43A C36A 18.7(8) . 7_455 ? C44A C43A C36A 132.6(16) . 7_455 ? C42A C43A C36A 101.7(12) . 7_455 ? C34A C43A C17A 123.0(19) 7_455 7_455 ? C35A C43A C17A 128.4(15) 7_455 7_455 ? C16A C43A C17A 46.9(9) 7_455 7_455 ? C57A C43A C17A 66.2(10) . 7_455 ? C44A C43A C17A 54.2(11) . 7_455 ? C42A C43A C17A 145.8(16) . 7_455 ? C36A C43A C17A 82.1(9) 7_455 7_455 ? C16A C44A C15A 133(10) 7_455 7_455 ? C16A C44A C45A 69(6) 7_455 . ? C15A C44A C45A 80.2(14) 7_455 . ? C16A C44A C24A 142(10) 7_455 . ? C15A C44A C24A 39.8(11) 7_455 . ? C45A C44A C24A 119.6(18) . . ? C16A C44A C43A 51(6) 7_455 . ? C15A C44A C43A 143(2) 7_455 . ? C45A C44A C43A 120.3(17) . . ? C24A C44A C43A 109.4(15) . . ? C16A C44A C34A 80(7) 7_455 7_455 ? C15A C44A C34A 112.8(19) 7_455 7_455 ? C45A C44A C34A 146(3) . 7_455 ? C24A C44A C34A 76.3(13) . 7_455 ? C43A C44A C34A 33.3(9) . 7_455 ? C16A C44A C17A 27(6) 7_455 7_455 ? C15A C44A C17A 119.5(19) 7_455 7_455 ? C45A C44A C17A 43.7(10) . 7_455 ? C24A C44A C17A 151(3) . 7_455 ? C43A C44A C17A 77.0(13) . 7_455 ? C34A C44A C17A 107.4(16) 7_455 7_455 ? C17A C45A C16A 68.6(12) 7_455 7_455 ? C17A C45A C18A 72.2(11) 7_455 7_455 ? C16A C45A C18A 136.0(16) 7_455 7_455 ? C17A C45A C44A 77.4(14) 7_455 . ? C16A C45A C44A 8.9(13) 7_455 . ? C18A C45A C44A 144.5(18) 7_455 . ? C17A C45A C46A 42.0(10) 7_455 . ? C16A C45A C46A 109.6(14) 7_455 . ? C18A C45A C46A 30.7(8) 7_455 . ? C44A C45A C46A 118.5(15) . . ? C17A C45A C27A 145.5(16) 7_455 . ? C16A C45A C27A 127.4(14) 7_455 . ? C18A C45A C27A 78.8(11) 7_455 . ? C44A C45A C27A 121.1(15) . . ? C46A C45A C27A 109.0(12) . . ? C17A C45A C4A 124.2(14) 7_455 7_455 ? C16A C45A C4A 142.4(15) 7_455 7_455 ? C18A C45A C4A 55.4(8) 7_455 7_455 ? C44A C45A C4A 139.0(17) . 7_455 ? C46A C45A C4A 85.6(10) . 7_455 ? C27A C45A C4A 23.5(7) . 7_455 ? C17A C45A C15A 120.3(14) 7_455 7_455 ? C16A C45A C15A 55.0(9) 7_455 7_455 ? C18A C45A C15A 141.7(14) 7_455 7_455 ? C44A C45A C15A 47.6(11) . 7_455 ? C46A C45A C15A 149.2(14) . 7_455 ? C27A C45A C15A 73.7(10) . 7_455 ? C4A C45A C15A 94.3(10) 7_455 7_455 ? C17A C45A C3A 149.6(16) 7_455 7_455 ? C16A C45A C3A 100.7(12) 7_455 7_455 ? C18A C45A C3A 103.0(11) 7_455 7_455 ? C44A C45A C3A 93.9(13) . 7_455 ? C46A C45A C3A 130.8(12) . 7_455 ? C27A C45A C3A 27.2(8) . 7_455 ? C4A C45A C3A 48.8(7) 7_455 7_455 ? C15A C45A C3A 46.5(6) 7_455 7_455 ? C18A C46A C17A 115.8(19) 7_455 7_455 ? C18A C46A C58A 150.9(18) 7_455 . ? C17A C46A C58A 75.1(13) 7_455 . ? C18A C46A C45A 66.2(14) 7_455 . ? C17A C46A C45A 50.8(12) 7_455 . ? C58A C46A C45A 123.9(12) . . ? C18A C46A C47A 41.9(12) 7_455 . ? C17A C46A C47A 148.6(16) 7_455 . ? C58A C46A C47A 115.0(11) . . ? C45A C46A C47A 106.4(11) . . ? C18A C46A C19A 73.9(14) 7_455 7_455 ? C17A C46A C19A 150.8(16) 7_455 7_455 ? C58A C46A C19A 84.6(10) . 7_455 ? C45A C46A C19A 136.1(13) . 7_455 ? C47A C46A C19A 32.0(7) . 7_455 ? C18A C46A C37A 153.9(16) 7_455 7_455 ? C17A C46A C37A 59.5(11) 7_455 7_455 ? C58A C46A C37A 15.6(7) . 7_455 ? C45A C46A C37A 108.7(11) . 7_455 ? C47A C46A C37A 127.8(11) . 7_455 ? C19A C46A C37A 99.1(10) 7_455 7_455 ? C18A C46A C38A 122.6(16) 7_455 7_455 ? C17A C46A C38A 107.0(14) 7_455 7_455 ? C58A C46A C38A 33.5(7) . 7_455 ? C45A C46A C38A 148.0(12) . 7_455 ? C47A C46A C38A 82.3(9) . 7_455 ? C19A C46A C38A 51.2(7) 7_455 7_455 ? C37A C46A C38A 48.5(7) 7_455 7_455 ? C19A C47A C18A 105.1(17) 7_455 7_455 ? C19A C47A C48A 45.1(11) 7_455 . ? C18A C47A C48A 144.9(15) 7_455 . ? C19A C47A C28A 162.2(18) 7_455 . ? C18A C47A C28A 81.6(11) 7_455 . ? C48A C47A C28A 121.8(12) . . ? C19A C47A C46A 76.7(13) 7_455 . ? C18A C47A C46A 28.4(9) 7_455 . ? C48A C47A C46A 118.8(12) . . ? C28A C47A C46A 109.1(10) . . ? C19A C47A C20A 70.1(12) 7_455 7_455 ? C18A C47A C20A 160(2) 7_455 7_455 ? C48A C47A C20A 25.1(9) . 7_455 ? C28A C47A C20A 97.8(12) . 7_455 ? C46A C47A C20A 141.8(14) . 7_455 ? C19A C47A C4A 153.5(17) 7_455 7_455 ? C18A C47A C4A 54.9(9) 7_455 7_455 ? C48A C47A C4A 142.6(12) . 7_455 ? C28A C47A C4A 26.9(6) . 7_455 ? C46A C47A C4A 82.3(8) . 7_455 ? C20A C47A C4A 121.9(14) 7_455 7_455 ? C20A C48A C19A 120(2) 7_455 7_455 ? C20A C48A C47A 83(2) 7_455 . ? C19A C48A C47A 36.3(10) 7_455 . ? C20A C48A C49A 145(3) 7_455 . ? C19A C48A C49A 90.0(14) 7_455 . ? C47A C48A C49A 123.0(13) . . ? C20A C48A C31A 42(2) 7_455 . ? C19A C48A C31A 152.6(15) 7_455 . ? C47A C48A C31A 119.7(12) . . ? C49A C48A C31A 103.6(10) . . ? C20A C48A C21A 73(2) 7_455 7_455 ? C19A C48A C21A 159.6(16) 7_455 7_455 ? C47A C48A C21A 149.6(13) . 7_455 ? C49A C48A C21A 73.5(10) . 7_455 ? C31A C48A C21A 32.2(7) . 7_455 ? C20A C48A C38A 156(3) 7_455 7_455 ? C19A C48A C38A 45.4(10) 7_455 7_455 ? C47A C48A C38A 79.0(10) . 7_455 ? C49A C48A C38A 44.8(8) . 7_455 ? C31A C48A C38A 140.3(11) . 7_455 ? C21A C48A C38A 116.5(11) 7_455 7_455 ? C20A C48A C6A 15(3) 7_455 7_455 ? C19A C48A C6A 108.3(12) 7_455 7_455 ? C47A C48A C6A 72.2(9) . 7_455 ? C49A C48A C6A 145.2(11) . 7_455 ? C31A C48A C6A 48.7(7) . 7_455 ? C21A C48A C6A 80.9(9) 7_455 7_455 ? C38A C48A C6A 141.1(10) 7_455 7_455 ? C39A C49A C40A 88.6(14) 7_455 7_455 ? C39A C49A C38A 72.2(12) 7_455 7_455 ? C40A C49A C38A 154.7(15) 7_455 7_455 ? C39A C49A C59A 38.0(12) 7_455 . ? C40A C49A C59A 124.0(14) 7_455 . ? C38A C49A C59A 34.3(10) 7_455 . ? C39A C49A C48A 157.1(16) 7_455 . ? C40A C49A C48A 106.1(13) 7_455 . ? C38A C49A C48A 88.1(11) 7_455 . ? C59A C49A C48A 121.0(12) . . ? C39A C49A C50A 79.8(15) 7_455 . ? C40A C49A C50A 10.3(15) 7_455 . ? C38A C49A C50A 144.6(18) 7_455 . ? C59A C49A C50A 114.1(15) . . ? C48A C49A C50A 112.9(13) . . ? C39A C49A C19A 125.7(14) 7_455 7_455 ? C40A C49A C19A 138.1(13) 7_455 7_455 ? C38A C49A C19A 54.2(7) 7_455 7_455 ? C59A C49A C19A 87.8(10) . 7_455 ? C48A C49A C19A 34.1(7) . 7_455 ? C50A C49A C19A 142.1(15) . 7_455 ? C39A C49A C21A 137.7(15) 7_455 7_455 ? C40A C49A C21A 50.8(9) 7_455 7_455 ? C38A C49A C21A 140.6(12) 7_455 7_455 ? C59A C49A C21A 157.4(16) . 7_455 ? C48A C49A C21A 55.6(9) . 7_455 ? C50A C49A C21A 58.6(10) . 7_455 ? C19A C49A C21A 89.0(9) 7_455 7_455 ? C39A C49A C20A 159.3(18) 7_455 7_455 ? C40A C49A C20A 96.3(11) 7_455 7_455 ? C38A C49A C20A 96.5(10) 7_455 7_455 ? C59A C49A C20A 127.9(13) . 7_455 ? C48A C49A C20A 10.1(8) . 7_455 ? C50A C49A C20A 102.8(12) . 7_455 ? C19A C49A C20A 43.1(6) 7_455 7_455 ? C21A C49A C20A 46.0(6) 7_455 7_455 ? C40A C50A C41A 170(7) 7_455 7_455 ? C40A C50A C51A 160(5) 7_455 . ? C41A C50A C51A 29.7(10) 7_455 . ? C40A C50A C32A 82(4) 7_455 . ? C41A C50A C32A 90.6(17) 7_455 . ? C51A C50A C32A 115.8(18) . . ? C40A C50A C49A 35(4) 7_455 . ? C41A C50A C49A 156(3) 7_455 . ? C51A C50A C49A 127(2) . . ? C32A C50A C49A 105.4(15) . . ? C40A C50A C39A 66(4) 7_455 7_455 ? C41A C50A C39A 124(2) 7_455 7_455 ? C51A C50A C39A 93.9(15) . 7_455 ? C32A C50A C39A 137(2) . 7_455 ? C49A C50A C39A 34.5(8) . 7_455 ? C40A C50A C21A 46(4) 7_455 7_455 ? C41A C50A C21A 127.0(19) 7_455 7_455 ? C51A C50A C21A 150(2) . 7_455 ? C32A C50A C21A 36.4(9) . 7_455 ? C49A C50A C21A 70.8(11) . 7_455 ? C39A C50A C21A 105.0(14) 7_455 7_455 ? C41A C51A C55A 173(3) 7_455 7_455 ? C41A C51A C50A 49.0(18) 7_455 . ? C55A C51A C50A 138(2) 7_455 . ? C41A C51A C52A 163(2) 7_455 . ? C55A C51A C52A 22.8(16) 7_455 . ? C50A C51A C52A 114.9(16) . . ? C41A C51A C35A 81(2) 7_455 . ? C55A C51A C35A 92(2) 7_455 . ? C50A C51A C35A 122.2(16) . . ? C52A C51A C35A 110.4(14) . . ? C41A C51A C40A 53.0(17) 7_455 7_455 ? C55A C51A C40A 134(2) 7_455 7_455 ? C50A C51A C40A 4.1(10) . 7_455 ? C52A C51A C40A 110.9(12) . 7_455 ? C35A C51A C40A 125.8(13) . 7_455 ? C41A C51A C54A 136(2) 7_455 7_455 ? C55A C51A C54A 50.5(16) 7_455 7_455 ? C50A C51A C54A 87.3(13) . 7_455 ? C52A C51A C54A 28.0(9) . 7_455 ? C35A C51A C54A 134.3(14) . 7_455 ? C40A C51A C54A 83.2(10) 7_455 7_455 ? C41A C51A C42A 40.6(17) 7_455 7_455 ? C55A C51A C42A 133(2) 7_455 7_455 ? C50A C51A C42A 83.2(13) . 7_455 ? C52A C51A C42A 146.6(15) . 7_455 ? C35A C51A C42A 40.8(9) . 7_455 ? C40A C51A C42A 87.1(10) 7_455 7_455 ? C54A C51A C42A 153.4(14) 7_455 7_455 ? C41A C51A C56A 137(2) 7_455 7_455 ? C55A C51A C56A 36.4(17) 7_455 7_455 ? C50A C51A C56A 152(2) . 7_455 ? C52A C51A C56A 53.9(10) . 7_455 ? C35A C51A C56A 56.8(10) . 7_455 ? C40A C51A C56A 150.1(13) 7_455 7_455 ? C54A C51A C56A 80.5(10) 7_455 7_455 ? C42A C51A C56A 96.5(11) 7_455 7_455 ? C54A C52A C55A 121(3) 7_455 7_455 ? C54A C52A C60A 23.5(12) 7_455 . ? C55A C52A C60A 143(2) 7_455 . ? C54A C52A C53A 140(2) 7_455 . ? C55A C52A C53A 92.4(19) 7_455 . ? C60A C52A C53A 117.2(15) . . ? C54A C52A C51A 100.9(19) 7_455 . ? C55A C52A C51A 21.0(15) 7_455 . ? C60A C52A C51A 121.6(15) . . ? C53A C52A C51A 109.0(14) . . ? C54A C52A C56A 160(3) 7_455 7_455 ? C55A C52A C56A 61.6(16) 7_455 7_455 ? C60A C52A C56A 143.5(17) . 7_455 ? C53A C52A C56A 30.8(7) . 7_455 ? C51A C52A C56A 78.8(12) . 7_455 ? C54A C52A C53A 53.2(13) 7_455 7_455 ? C55A C52A C53A 162(3) 7_455 7_455 ? C60A C52A C53A 29.8(8) . 7_455 ? C53A C52A C53A 87.9(14) . 7_455 ? C51A C52A C53A 145.0(17) . 7_455 ? C56A C52A C53A 116.7(15) 7_455 7_455 ? C56A C53A C60A 121(3) 7_455 7_455 ? C56A C53A C54A 142(2) 7_455 . ? C60A C53A C54A 24.5(13) 7_455 . ? C56A C53A C52A 84.6(18) 7_455 . ? C60A C53A C52A 146(2) 7_455 . ? C54A C53A C52A 122.1(15) . . ? C56A C53A C36A 22.3(15) 7_455 . ? C60A C53A C36A 98.8(18) 7_455 . ? C54A C53A C36A 120.5(14) . . ? C52A C53A C36A 104.5(13) . . ? C56A C53A C55A 55.9(14) 7_455 7_455 ? C60A C53A C55A 160(2) 7_455 7_455 ? C54A C53A C55A 146.1(14) . 7_455 ? C52A C53A C55A 28.7(8) . 7_455 ? C36A C53A C55A 76.3(11) . 7_455 ? C56A C53A C52A 159(3) 7_455 7_455 ? C60A C53A C52A 55.3(12) 7_455 7_455 ? C54A C53A C52A 30.8(9) . 7_455 ? C52A C53A C52A 92.1(14) . 7_455 ? C36A C53A C52A 144.6(15) . 7_455 ? C55A C53A C52A 118.9(15) 7_455 7_455 ? C60A C54A C52A 126(3) 7_455 7_455 ? C60A C54A C53A 30.4(17) 7_455 . ? C52A C54A C53A 96.0(17) 7_455 . ? C60A C54A C39A 94(2) 7_455 . ? C52A C54A C39A 133.4(19) 7_455 . ? C53A C54A C39A 122.0(14) . . ? C60A C54A C55A 151(2) 7_455 . ? C52A C54A C55A 28.1(13) 7_455 . ? C53A C54A C55A 122.0(13) . . ? C39A C54A C55A 105.8(12) . . ? C60A C54A C59A 62.5(18) 7_455 7_455 ? C52A C54A C59A 156(2) 7_455 7_455 ? C53A C54A C59A 90.4(13) . 7_455 ? C39A C54A C59A 32.0(8) . 7_455 ? C55A C54A C59A 134.3(13) . 7_455 ? C60A C54A C51A 159(2) 7_455 7_455 ? C52A C54A C51A 51.1(14) 7_455 7_455 ? C53A C54A C51A 139.4(14) . 7_455 ? C39A C54A C51A 82.6(10) . 7_455 ? C55A C54A C51A 23.2(7) . 7_455 ? C59A C54A C51A 111.8(11) 7_455 7_455 ? C51A C55A C52A 136(3) 7_455 7_455 ? C51A C55A C56A 125(2) 7_455 . ? C52A C55A C56A 87.8(19) 7_455 . ? C51A C55A C41A 3.4(16) 7_455 . ? C52A C55A C41A 139(2) 7_455 . ? C56A C55A C41A 121.9(15) . . ? C51A C55A C54A 106(2) 7_455 . ? C52A C55A C54A 30.5(17) 7_455 . ? C56A C55A C54A 115.6(14) . . ? C41A C55A C54A 109.6(12) . . ? C51A C55A C53A 148(2) 7_455 7_455 ? C52A C55A C53A 58.9(15) 7_455 7_455 ? C56A C55A C53A 28.9(9) . 7_455 ? C41A C55A C53A 145.6(14) . 7_455 ? C54A C55A C53A 87.5(11) . 7_455 ? C51A C55A C35A 60.9(17) 7_455 7_455 ? C52A C55A C35A 147(2) 7_455 7_455 ? C56A C55A C35A 65.1(11) . 7_455 ? C41A C55A C35A 57.6(10) . 7_455 ? C54A C55A C35A 150.2(16) . 7_455 ? C53A C55A C35A 92.7(11) 7_455 7_455 ? C51A C55A C36A 106(2) 7_455 7_455 ? C52A C55A C36A 105.0(19) 7_455 7_455 ? C56A C55A C36A 19.0(9) . 7_455 ? C41A C55A C36A 103.0(12) . 7_455 ? C54A C55A C36A 129.9(12) . 7_455 ? C53A C55A C36A 46.9(7) 7_455 7_455 ? C35A C55A C36A 46.2(7) 7_455 7_455 ? C36A C56A C53A 134(3) 7_455 7_455 ? C36A C56A C55A 125(2) 7_455 . ? C53A C56A C55A 95.2(19) 7_455 . ? C36A C56A C60A 104(2) 7_455 . ? C53A C56A C60A 30.0(14) 7_455 . ? C55A C56A C60A 122.3(15) . . ? C36A C56A C57A 5.0(17) 7_455 . ? C53A C56A C57A 137(2) 7_455 . ? C55A C56A C57A 120.6(15) . . ? C60A C56A C57A 107.1(12) . . ? C36A C56A C52A 151(2) 7_455 7_455 ? C53A C56A C52A 64.6(16) 7_455 7_455 ? C55A C56A C52A 30.6(8) . 7_455 ? C60A C56A C52A 92.3(13) . 7_455 ? C57A C56A C52A 146.0(17) . 7_455 ? C36A C56A C35A 60.2(16) 7_455 7_455 ? C53A C56A C35A 154(3) 7_455 7_455 ? C55A C56A C35A 65.2(11) . 7_455 ? C60A C56A C35A 150.9(18) . 7_455 ? C57A C56A C35A 55.8(10) . 7_455 ? C52A C56A C35A 94.1(12) 7_455 7_455 ? C36A C56A C51A 106.8(19) 7_455 7_455 ? C53A C56A C51A 111(2) 7_455 7_455 ? C55A C56A C51A 18.5(8) . 7_455 ? C60A C56A C51A 134.6(14) . 7_455 ? C57A C56A C51A 102.1(12) . 7_455 ? C52A C56A C51A 47.3(8) 7_455 7_455 ? C35A C56A C51A 47.1(7) 7_455 7_455 ? C36A C56A C37A 24.3(15) 7_455 7_455 ? C53A C56A C37A 110.2(18) 7_455 7_455 ? C55A C56A C37A 140.2(16) . 7_455 ? C60A C56A C37A 80.5(10) . 7_455 ? C57A C56A C37A 26.6(7) . 7_455 ? C52A C56A C37A 150.0(17) 7_455 7_455 ? C35A C56A C37A 79.8(11) 7_455 7_455 ? C51A C56A C37A 122.5(12) 7_455 7_455 ? C36A C57A C37A 108(2) 7_455 7_455 ? C36A C57A C43A 123(2) 7_455 . ? C37A C57A C43A 120.6(19) 7_455 . ? C36A C57A C58A 105(2) 7_455 . ? C37A C57A C58A 3.2(12) 7_455 . ? C43A C57A C58A 122.0(14) . . ? C36A C57A C56A 5.5(18) 7_455 . ? C37A C57A C56A 110.7(16) 7_455 . ? C43A C57A C56A 117.5(14) . . ? C58A C57A C56A 107.8(12) . . ? C36A C57A C35A 73.1(19) 7_455 7_455 ? C37A C57A C35A 154(2) 7_455 7_455 ? C43A C57A C35A 49.7(10) . 7_455 ? C58A C57A C35A 151.6(18) . 7_455 ? C56A C57A C35A 68.3(11) . 7_455 ? C36A C57A C17A 148(3) 7_455 7_455 ? C37A C57A C17A 50.7(12) 7_455 7_455 ? C43A C57A C17A 70.0(11) . 7_455 ? C58A C57A C17A 52.4(8) . 7_455 ? C56A C57A C17A 146.5(16) . 7_455 ? C35A C57A C17A 114.8(13) 7_455 7_455 ? C37A C58A C38A 147(3) 7_455 7_455 ? C37A C58A C59A 113(3) 7_455 . ? C38A C58A C59A 34.4(12) 7_455 . ? C37A C58A C46A 112(3) 7_455 . ? C38A C58A C46A 95.4(15) 7_455 . ? C59A C58A C46A 127.1(14) . . ? C37A C58A C57A 7(3) 7_455 . ? C38A C58A C57A 140.6(16) 7_455 . ? C59A C58A C57A 107.2(12) . . ? C46A C58A C57A 115.1(12) . . ? C37A C58A C17A 73(3) 7_455 7_455 ? C38A C58A C17A 131.3(17) 7_455 7_455 ? C59A C58A C17A 152.7(16) . 7_455 ? C46A C58A C17A 38.4(8) . 7_455 ? C57A C58A C17A 77.0(10) . 7_455 ? C37A C58A C36A 29(2) 7_455 7_455 ? C38A C58A C36A 118.2(15) 7_455 7_455 ? C59A C58A C36A 84.5(11) . 7_455 ? C46A C58A C36A 133.8(12) . 7_455 ? C57A C58A C36A 22.7(8) . 7_455 ? C17A C58A C36A 97.5(11) 7_455 7_455 ? C37A C58A C19A 153(3) 7_455 7_455 ? C38A C58A C19A 46.1(11) 7_455 7_455 ? C59A C58A C19A 78.4(10) . 7_455 ? C46A C58A C19A 49.4(8) . 7_455 ? C57A C58A C19A 151.7(12) . 7_455 ? C17A C58A C19A 86.0(9) 7_455 7_455 ? C36A C58A C19A 147.4(11) 7_455 7_455 ? C38A C59A C39A 113(2) 7_455 7_455 ? C38A C59A C49A 73.4(17) 7_455 . ? C39A C59A C49A 39.9(12) 7_455 . ? C38A C59A C58A 44.1(13) 7_455 . ? C39A C59A C58A 154(2) 7_455 . ? C49A C59A C58A 114.8(14) . . ? C38A C59A C60A 153(2) 7_455 . ? C39A C59A C60A 87.5(18) 7_455 . ? C49A C59A C60A 123.4(15) . . ? C58A C59A C60A 110.6(13) . . ? C38A C59A C37A 59.5(14) 7_455 7_455 ? C39A C59A C37A 161(3) 7_455 7_455 ? C49A C59A C37A 127.9(15) . 7_455 ? C58A C59A C37A 15.5(8) . 7_455 ? C60A C59A C37A 95.2(11) . 7_455 ? C38A C59A C54A 161(3) 7_455 7_455 ? C39A C59A C54A 62.5(15) 7_455 7_455 ? C49A C59A C54A 99.1(12) . 7_455 ? C58A C59A C54A 133.2(15) . 7_455 ? C60A C59A C54A 25.1(7) . 7_455 ? C37A C59A C54A 118.3(13) 7_455 7_455 ? C54A C60A C53A 125(3) 7_455 7_455 ? C54A C60A C52A 30.1(18) 7_455 . ? C53A C60A C52A 95.0(17) 7_455 . ? C54A C60A C59A 92(2) 7_455 . ? C53A C60A C59A 135.6(19) 7_455 . ? C52A C60A C59A 119.3(14) . . ? C54A C60A C56A 149(2) 7_455 . ? C53A C60A C56A 28.9(13) 7_455 . ? C52A C60A C56A 120.7(14) . . ? C59A C60A C56A 107.2(12) . . ? C54A C60A C39A 61.0(16) 7_455 7_455 ? C53A C60A C39A 159(2) 7_455 7_455 ? C52A C60A C39A 88.9(12) . 7_455 ? C59A C60A C39A 31.6(8) . 7_455 ? C56A C60A C39A 136.0(13) . 7_455 ? C54A C60A C36A 159(2) 7_455 7_455 ? C53A C60A C36A 53.6(13) 7_455 7_455 ? C52A C60A C36A 140.3(14) . 7_455 ? C59A C60A C36A 82.6(10) . 7_455 ? C56A C60A C36A 24.7(8) . 7_455 ? C39A C60A C36A 112.7(11) 7_455 7_455 ? C42B C1B C23B 148(5) 7_455 7_455 ? C42B C1B C9B 99(4) 7_455 . ? C23B C1B C9B 52.2(10) 7_455 . ? C42B C1B C5B 131(4) 7_455 . ? C23B C1B C5B 69.4(12) 7_455 . ? C9B C1B C5B 119.9(14) . . ? C42B C1B C2B 21(3) 7_455 . ? C23B C1B C2B 157(2) 7_455 . ? C9B C1B C2B 117.8(13) . . ? C5B C1B C2B 110.4(12) . . ? C42B C1B C43B 80(3) 7_455 7_455 ? C23B C1B C43B 119.7(14) 7_455 7_455 ? C9B C1B C43B 155.2(18) . 7_455 ? C5B C1B C43B 52.0(9) . 7_455 ? C2B C1B C43B 59.0(10) . 7_455 ? C42B C1B C41B 27(3) 7_455 7_455 ? C23B C1B C41B 121.7(14) 7_455 7_455 ? C9B C1B C41B 72.2(10) . 7_455 ? C5B C1B C41B 146.2(16) . 7_455 ? C2B C1B C41B 46.0(9) . 7_455 ? C43B C1B C41B 102.8(12) 7_455 7_455 ? C42B C2B C41B 69.5(12) 7_455 7_455 ? C42B C2B C12B 114.5(14) 7_455 . ? C41B C2B C12B 45.6(9) 7_455 . ? C42B C2B C3B 116.1(13) 7_455 . ? C41B C2B C3B 152.1(15) 7_455 . ? C12B C2B C3B 117.8(12) . . ? C42B C2B C1B 6.9(9) 7_455 . ? C41B C2B C1B 76.1(12) 7_455 . ? C12B C2B C1B 120.6(13) . . ? C3B C2B C1B 109.3(10) . . ? C42B C2B C43B 69.6(10) 7_455 7_455 ? C41B C2B C43B 134.3(15) 7_455 7_455 ? C12B C2B C43B 153.5(14) . 7_455 ? C3B C2B C43B 47.3(8) . 7_455 ? C1B C2B C43B 62.7(10) . 7_455 ? C42B C2B C55B 128.1(14) 7_455 7_455 ? C41B C2B C55B 60.8(9) 7_455 7_455 ? C12B C2B C55B 15.9(7) . 7_455 ? C3B C2B C55B 102.1(11) . 7_455 ? C1B C2B C55B 133.4(13) . 7_455 ? C43B C2B C55B 142.5(13) 7_455 7_455 ? C42B C2B C57B 118.2(14) 7_455 7_455 ? C41B C2B C57B 147.1(18) 7_455 7_455 ? C12B C2B C57B 113.1(13) . 7_455 ? C3B C2B C57B 5.2(12) . 7_455 ? C1B C2B C57B 111.5(12) . 7_455 ? C43B C2B C57B 50.4(8) 7_455 7_455 ? C55B C2B C57B 97.5(11) 7_455 7_455 ? C42B C2B C56B 152.5(15) 7_455 7_455 ? C41B C2B C56B 108.0(12) 7_455 7_455 ? C12B C2B C56B 64.9(9) . 7_455 ? C3B C2B C56B 53.5(8) . 7_455 ? C1B C2B C56B 149.5(14) . 7_455 ? C43B C2B C56B 98.9(11) 7_455 7_455 ? C55B C2B C56B 48.9(7) 7_455 7_455 ? C57B C2B C56B 49.3(7) 7_455 7_455 ? C57B C3B C43B 127(5) 7_455 7_455 ? C57B C3B C15B 30(4) 7_455 . ? C43B C3B C15B 151.6(13) 7_455 . ? C57B C3B C2B 151(6) 7_455 . ? C43B C3B C2B 67.6(10) 7_455 . ? C15B C3B C2B 125.1(11) . . ? C57B C3B C4B 91(4) 7_455 . ? C43B C3B C4B 36.3(8) 7_455 . ? C15B C3B C4B 120.2(10) . . ? C2B C3B C4B 103.0(10) . . ? C57B C3B C56B 82(4) 7_455 7_455 ? C43B C3B C56B 137.5(13) 7_455 7_455 ? C15B C3B C56B 52.1(8) . 7_455 ? C2B C3B C56B 74.1(10) . 7_455 ? C4B C3B C56B 153.8(11) . 7_455 ? C57B C3B C58B 13(5) 7_455 7_455 ? C43B C3B C58B 113.6(11) 7_455 7_455 ? C15B C3B C58B 42.5(8) . 7_455 ? C2B C3B C58B 153.2(11) . 7_455 ? C4B C3B C58B 78.4(9) . 7_455 ? C56B C3B C58B 92.9(9) 7_455 7_455 ? C43B C4B C44B 104.1(18) 7_455 7_455 ? C43B C4B C18B 158.1(18) 7_455 . ? C44B C4B C18B 77.1(12) 7_455 . ? C43B C4B C5B 62.0(13) 7_455 . ? C44B C4B C5B 42.0(11) 7_455 . ? C18B C4B C5B 116.5(11) . . ? C43B C4B C3B 53.0(13) 7_455 . ? C44B C4B C3B 151.5(15) 7_455 . ? C18B C4B C3B 117.3(12) . . ? C5B C4B C3B 113.0(10) . . ? C43B C4B C57B 65.3(12) 7_455 7_455 ? C44B C4B C57B 157(2) 7_455 7_455 ? C18B C4B C57B 105.0(13) . 7_455 ? C5B C4B C57B 123.8(13) . 7_455 ? C3B C4B C57B 12.5(9) . 7_455 ? C43B C4B C45B 152.6(16) 7_455 7_455 ? C44B C4B C45B 55.7(10) 7_455 7_455 ? C18B C4B C45B 21.4(7) . 7_455 ? C5B C4B C45B 96.2(9) . 7_455 ? C3B C4B C45B 136.8(11) . 7_455 ? C57B C4B C45B 125.1(14) 7_455 7_455 ? C44B C5B C24B 92.5(14) 7_455 7_455 ? C44B C5B C43B 78.6(13) 7_455 7_455 ? C24B C5B C43B 158.4(17) 7_455 7_455 ? C44B C5B C6B 82.4(14) 7_455 . ? C24B C5B C6B 10.2(11) 7_455 . ? C43B C5B C6B 153.4(15) 7_455 . ? C44B C5B C1B 144.7(17) 7_455 . ? C24B C5B C1B 113.5(15) 7_455 . ? C43B C5B C1B 68.5(11) 7_455 . ? C6B C5B C1B 123.1(14) . . ? C44B C5B C4B 42.3(11) 7_455 . ? C24B C5B C4B 132.0(14) 7_455 . ? C43B C5B C4B 36.4(7) 7_455 . ? C6B C5B C4B 122.6(12) . . ? C1B C5B C4B 104.2(11) . . ? C44B C5B C23B 152.9(17) 7_455 7_455 ? C24B C5B C23B 66.6(11) 7_455 7_455 ? C43B C5B C23B 114.3(11) 7_455 7_455 ? C6B C5B C23B 76.6(11) . 7_455 ? C1B C5B C23B 47.3(10) . 7_455 ? C4B C5B C23B 145.8(12) . 7_455 ? C44B C5B C42B 134.9(15) 7_455 7_455 ? C24B C5B C42B 121.1(14) 7_455 7_455 ? C43B C5B C42B 59.0(8) 7_455 7_455 ? C6B C5B C42B 130.2(12) . 7_455 ? C1B C5B C42B 9.8(9) . 7_455 ? C4B C5B C42B 94.4(9) . 7_455 ? C23B C5B C42B 56.1(7) 7_455 7_455 ? C24B C6B C25B 149(4) 7_455 7_455 ? C24B C6B C5B 26(3) 7_455 . ? C25B C6B C5B 159(2) 7_455 . ? C24B C6B C20B 144(4) 7_455 . ? C25B C6B C20B 49.3(11) 7_455 . ? C5B C6B C20B 121.1(15) . . ? C24B C6B C7B 92(4) 7_455 . ? C25B C6B C7B 59.4(12) 7_455 . ? C5B C6B C7B 116.7(14) . . ? C20B C6B C7B 105.4(13) . . ? C24B C6B C44B 63(3) 7_455 7_455 ? C25B C6B C44B 133.3(16) 7_455 7_455 ? C5B C6B C44B 37.3(8) . 7_455 ? C20B C6B C44B 85.4(12) . 7_455 ? C7B C6B C44B 145.5(17) . 7_455 ? C24B C6B C23B 28(3) 7_455 7_455 ? C25B C6B C23B 122.3(17) 7_455 7_455 ? C5B C6B C23B 53.8(9) . 7_455 ? C20B C6B C23B 149.7(16) . 7_455 ? C7B C6B C23B 64.1(11) . 7_455 ? C44B C6B C23B 89.9(11) 7_455 7_455 ? C8B C7B C7B 63.6(14) 7_455 7_455 ? C8B C7B C8B 113.8(15) 7_455 . ? C7B C7B C8B 50.5(11) 7_455 . ? C8B C7B C25B 76.2(12) 7_455 7_455 ? C7B C7B C25B 137.4(18) 7_455 7_455 ? C8B C7B C25B 158.3(17) . 7_455 ? C8B C7B C6B 119.7(15) 7_455 . ? C7B C7B C6B 158.3(12) 7_455 . ? C8B C7B C6B 119.1(14) . . ? C25B C7B C6B 44.6(9) 7_455 . ? C8B C7B C22B 13.5(9) 7_455 . ? C7B C7B C22B 76.5(14) 7_455 . ? C8B C7B C22B 126.0(14) . . ? C25B C7B C22B 62.7(10) 7_455 . ? C6B C7B C22B 106.3(11) . . ? C8B C7B C24B 133.3(15) 7_455 7_455 ? C7B C7B C24B 147.6(13) 7_455 7_455 ? C8B C7B C24B 103.5(13) . 7_455 ? C25B C7B C24B 59.9(9) 7_455 7_455 ? C6B C7B C24B 15.7(7) . 7_455 ? C22B C7B C24B 120.2(12) . 7_455 ? C8B C7B C22B 118.3(16) 7_455 7_455 ? C7B C7B C22B 55.5(10) 7_455 7_455 ? C8B C7B C22B 6.2(8) . 7_455 ? C25B C7B C22B 152.5(16) 7_455 7_455 ? C6B C7B C22B 113.1(13) . 7_455 ? C22B C7B C22B 129.8(12) . 7_455 ? C24B C7B C22B 97.5(12) 7_455 7_455 ? C8B C7B C23B 156.1(18) 7_455 7_455 ? C7B C7B C23B 101.5(13) 7_455 7_455 ? C8B C7B C23B 52.5(9) . 7_455 ? C25B C7B C23B 110.7(13) 7_455 7_455 ? C6B C7B C23B 67.0(10) . 7_455 ? C22B C7B C23B 156.2(15) . 7_455 ? C24B C7B C23B 51.3(8) 7_455 7_455 ? C22B C7B C23B 46.7(7) 7_455 7_455 ? C22B C8B C7B 132(3) 7_455 7_455 ? C22B C8B C7B 156(3) 7_455 . ? C7B C8B C7B 65.9(15) 7_455 . ? C22B C8B C25B 75(3) 7_455 . ? C7B C8B C25B 56.9(11) 7_455 . ? C7B C8B C25B 121.1(13) . . ? C22B C8B C9B 32(2) 7_455 . ? C7B C8B C9B 153.2(16) 7_455 . ? C7B C8B C9B 124.8(14) . . ? C25B C8B C9B 102.8(10) . . ? C22B C8B C23B 78(3) 7_455 7_455 ? C7B C8B C23B 142.3(16) 7_455 7_455 ? C7B C8B C23B 79.9(12) . 7_455 ? C25B C8B C23B 144.7(12) . 7_455 ? C9B C8B C23B 46.4(8) . 7_455 ? C22B C8B C21B 28(2) 7_455 7_455 ? C7B C8B C21B 105.7(14) 7_455 7_455 ? C7B C8B C21B 152.3(14) . 7_455 ? C25B C8B C21B 50.4(8) . 7_455 ? C9B C8B C21B 52.4(8) . 7_455 ? C23B C8B C21B 97.3(11) 7_455 7_455 ? C22B C9B C23B 76.5(12) 7_455 7_455 ? C22B C9B C1B 129.0(14) 7_455 . ? C23B C9B C1B 54.1(12) 7_455 . ? C22B C9B C10B 100.4(12) 7_455 . ? C23B C9B C10B 156.8(16) 7_455 . ? C1B C9B C10B 119.4(12) . . ? C22B C9B C21B 63.4(10) 7_455 7_455 ? C23B C9B C21B 135.1(15) 7_455 7_455 ? C1B C9B C21B 148.1(15) . 7_455 ? C10B C9B C21B 37.0(7) . 7_455 ? C22B C9B C8B 12.9(9) 7_455 . ? C23B C9B C8B 63.8(11) 7_455 . ? C1B C9B C8B 116.1(12) . . ? C10B C9B C8B 111.1(11) . . ? C21B C9B C8B 74.7(10) 7_455 . ? C22B C9B C42B 140.7(14) 7_455 7_455 ? C23B C9B C42B 68.3(10) 7_455 7_455 ? C1B C9B C42B 14.6(8) . 7_455 ? C10B C9B C42B 105.1(11) . 7_455 ? C21B C9B C42B 136.7(12) 7_455 7_455 ? C8B C9B C42B 128.2(11) . 7_455 ? C22B C9B C41B 148.6(14) 7_455 7_455 ? C23B C9B C41B 113.2(13) 7_455 7_455 ? C1B C9B C41B 61.4(9) . 7_455 ? C10B C9B C41B 58.5(7) . 7_455 ? C21B C9B C41B 93.5(9) 7_455 7_455 ? C8B C9B C41B 149.1(12) . 7_455 ? C42B C9B C41B 46.8(7) 7_455 7_455 ? C22B C9B C40B 109.3(12) 7_455 7_455 ? C23B C9B C40B 150.4(14) 7_455 7_455 ? C1B C9B C40B 108.3(11) . 7_455 ? C10B C9B C40B 11.1(5) . 7_455 ? C21B C9B C40B 46.8(7) 7_455 7_455 ? C8B C9B C40B 119.0(10) . 7_455 ? C42B C9B C40B 94.0(9) 7_455 7_455 ? C41B C9B C40B 47.6(5) 7_455 7_455 ? C40B C10B C21B 139(2) 7_455 7_455 ? C40B C10B C11B 16.3(16) 7_455 . ? C21B C10B C11B 151.0(14) 7_455 . ? C40B C10B C9B 138(2) 7_455 . ? C21B C10B C9B 73.8(13) 7_455 . ? C11B C10B C9B 122.3(10) . . ? C40B C10B C26B 104.6(19) 7_455 . ? C21B C10B C26B 35.7(11) 7_455 . ? C11B C10B C26B 119.4(10) . . ? C9B C10B C26B 108.7(10) . . ? C40B C10B C41B 65.9(17) 7_455 7_455 ? C21B C10B C41B 140.6(14) 7_455 7_455 ? C11B C10B C41B 49.6(8) . 7_455 ? C9B C10B C41B 72.9(9) . 7_455 ? C26B C10B C41B 152.6(10) . 7_455 ? C40B C10B C39B 22.9(16) 7_455 7_455 ? C21B C10B C39B 116.1(13) 7_455 7_455 ? C11B C10B C39B 36.7(7) . 7_455 ? C9B C10B C39B 146.1(10) . 7_455 ? C26B C10B C39B 82.8(8) . 7_455 ? C41B C10B C39B 82.6(8) 7_455 7_455 ? C40B C10B C22B 157.3(19) 7_455 7_455 ? C21B C10B C22B 40.1(10) 7_455 7_455 ? C11B C10B C22B 148.1(9) . 7_455 ? C9B C10B C22B 33.8(7) . 7_455 ? C26B C10B C22B 75.0(8) . 7_455 ? C41B C10B C22B 103.7(8) 7_455 7_455 ? C39B C10B C22B 142.4(9) 7_455 7_455 ? C40B C11B C39B 90.8(15) 7_455 7_455 ? C40B C11B C41B 86.9(13) 7_455 7_455 ? C39B C11B C41B 149.9(15) 7_455 7_455 ? C40B C11B C10B 10.3(10) 7_455 . ? C39B C11B C10B 100.1(12) 7_455 . ? C41B C11B C10B 76.6(10) 7_455 . ? C40B C11B C12B 130.2(15) 7_455 . ? C39B C11B C12B 123.7(13) 7_455 . ? C41B C11B C12B 44.7(8) 7_455 . ? C10B C11B C12B 120.2(10) . . ? C40B C11B C29B 110.7(15) 7_455 . ? C39B C11B C29B 19.9(9) 7_455 . ? C41B C11B C29B 144.7(13) 7_455 . ? C10B C11B C29B 119.8(11) . . ? C12B C11B C29B 106.7(11) . . ? C40B C11B C54B 144.2(15) 7_455 7_455 ? C39B C11B C54B 61.1(9) 7_455 7_455 ? C41B C11B C54B 106.2(11) 7_455 7_455 ? C10B C11B C54B 148.0(11) . 7_455 ? C12B C11B C54B 64.2(8) . 7_455 ? C29B C11B C54B 42.6(8) . 7_455 ? C40B C11B C55B 138.6(14) 7_455 7_455 ? C39B C11B C55B 111.3(11) 7_455 7_455 ? C41B C11B C55B 56.3(8) 7_455 7_455 ? C10B C11B C55B 129.5(10) . 7_455 ? C12B C11B C55B 12.6(6) . 7_455 ? C29B C11B C55B 94.1(10) . 7_455 ? C54B C11B C55B 51.6(6) 7_455 7_455 ? C55B C12B C41B 158(3) 7_455 7_455 ? C55B C12B C2B 107(3) 7_455 . ? C41B C12B C2B 59.8(11) 7_455 . ? C55B C12B C11B 125(3) 7_455 . ? C41B C12B C11B 60.6(11) 7_455 . ? C2B C12B C11B 119.5(12) . . ? C55B C12B C13B 14(2) 7_455 . ? C41B C12B C13B 155.8(15) 7_455 . ? C2B C12B C13B 119.2(12) . . ? C11B C12B C13B 110.6(10) . . ? C55B C12B C54B 61(2) 7_455 7_455 ? C41B C12B C54B 121.0(13) 7_455 7_455 ? C2B C12B C54B 151.0(12) . 7_455 ? C11B C12B C54B 64.3(8) . 7_455 ? C13B C12B C54B 46.4(7) . 7_455 ? C55B C12B C56B 39(2) 7_455 7_455 ? C41B C12B C56B 124.4(14) 7_455 7_455 ? C2B C12B C56B 68.2(10) . 7_455 ? C11B C12B C56B 150.8(12) . 7_455 ? C13B C12B C56B 51.6(8) . 7_455 ? C54B C12B C56B 95.4(10) 7_455 7_455 ? C55B C13B C54B 81.4(12) 7_455 7_455 ? C55B C13B C14B 117.4(13) 7_455 . ? C54B C13B C14B 144.9(13) 7_455 . ? C55B C13B C56B 69.0(11) 7_455 7_455 ? C54B C13B C56B 142.3(14) 7_455 7_455 ? C14B C13B C56B 49.0(9) . 7_455 ? C55B C13B C12B 6.5(10) 7_455 . ? C54B C13B C12B 74.9(10) 7_455 . ? C14B C13B C12B 122.8(11) . . ? C56B C13B C12B 74.8(10) 7_455 . ? C55B C13B C30B 113.3(13) 7_455 . ? C54B C13B C30B 32.1(7) 7_455 . ? C14B C13B C30B 119.2(11) . . ? C56B C13B C30B 154.7(13) 7_455 . ? C12B C13B C30B 106.8(10) . . ? C55B C13B C53B 134.1(13) 7_455 7_455 ? C54B C13B C53B 55.9(8) 7_455 7_455 ? C14B C13B C53B 94.1(10) . 7_455 ? C56B C13B C53B 136.6(12) 7_455 7_455 ? C12B C13B C53B 127.9(10) . 7_455 ? C30B C13B C53B 25.2(8) . 7_455 ? C55B C13B C60B 118.7(12) 7_455 7_455 ? C54B C13B C60B 139.1(12) 7_455 7_455 ? C14B C13B C60B 6.0(8) . 7_455 ? C56B C13B C60B 51.5(7) 7_455 7_455 ? C12B C13B C60B 123.5(10) . 7_455 ? C30B C13B C60B 114.6(11) . 7_455 ? C53B C13B C60B 89.7(9) 7_455 7_455 ? C55B C13B C52B 150.4(14) 7_455 7_455 ? C54B C13B C52B 101.2(10) 7_455 7_455 ? C14B C13B C52B 47.5(7) . 7_455 ? C56B C13B C52B 94.0(9) 7_455 7_455 ? C12B C13B C52B 150.4(11) . 7_455 ? C30B C13B C52B 71.9(9) . 7_455 ? C53B C13B C52B 46.8(6) 7_455 7_455 ? C60B C13B C52B 43.4(6) 7_455 7_455 ? C60B C14B C56B 120(3) 7_455 7_455 ? C60B C14B C13B 157(3) 7_455 . ? C56B C14B C13B 66.6(10) 7_455 . ? C60B C14B C52B 77(2) 7_455 7_455 ? C56B C14B C52B 146.2(13) 7_455 7_455 ? C13B C14B C52B 87.4(10) . 7_455 ? C60B C14B C33B 41(2) 7_455 . ? C56B C14B C33B 152.4(13) 7_455 . ? C13B C14B C33B 122.2(10) . . ? C52B C14B C33B 35.5(6) 7_455 . ? C60B C14B C15B 66(2) 7_455 . ? C56B C14B C15B 54.9(10) 7_455 . ? C13B C14B C15B 120.1(10) . . ? C52B C14B C15B 137.3(10) 7_455 . ? C33B C14B C15B 106.0(9) . . ? C60B C14B C59B 20(2) 7_455 7_455 ? C56B C14B C59B 100.8(11) 7_455 7_455 ? C13B C14B C59B 152.2(10) . 7_455 ? C52B C14B C59B 92.5(9) 7_455 7_455 ? C33B C14B C59B 58.6(7) . 7_455 ? C15B C14B C59B 47.6(7) . 7_455 ? C60B C14B C55B 150(3) 7_455 7_455 ? C56B C14B C55B 41.2(8) 7_455 7_455 ? C13B C14B C55B 25.8(6) . 7_455 ? C52B C14B C55B 109.3(9) 7_455 7_455 ? C33B C14B C55B 140.0(9) . 7_455 ? C15B C14B C55B 94.3(8) . 7_455 ? C59B C14B C55B 133.5(8) 7_455 7_455 ? C57B C15B C58B 78.1(13) 7_455 7_455 ? C57B C15B C56B 76.0(13) 7_455 7_455 ? C58B C15B C56B 148.2(15) 7_455 7_455 ? C57B C15B C3B 8.6(11) 7_455 . ? C58B C15B C3B 86.6(12) 7_455 . ? C56B C15B C3B 67.6(10) 7_455 . ? C57B C15B C60B 139.2(19) 7_455 7_455 ? C58B C15B C60B 127.6(14) 7_455 7_455 ? C56B C15B C60B 67.2(10) 7_455 7_455 ? C3B C15B C60B 132.1(12) . 7_455 ? C57B C15B C59B 140.2(19) 7_455 7_455 ? C58B C15B C59B 67.0(9) 7_455 7_455 ? C56B C15B C59B 127.4(13) 7_455 7_455 ? C3B C15B C59B 146.8(12) . 7_455 ? C60B C15B C59B 62.5(9) 7_455 7_455 ? C57B C15B C16B 115.2(16) 7_455 . ? C58B C15B C16B 38.8(9) 7_455 . ? C56B C15B C16B 149.3(14) 7_455 . ? C3B C15B C16B 123.2(11) . . ? C60B C15B C16B 90.2(10) 7_455 . ? C59B C15B C16B 28.2(7) 7_455 . ? C57B C15B C14B 122.7(16) 7_455 . ? C58B C15B C14B 144.5(13) 7_455 . ? C56B C15B C14B 48.3(9) 7_455 . ? C3B C15B C14B 114.8(10) . . ? C60B C15B C14B 19.2(7) 7_455 . ? C59B C15B C14B 81.6(9) 7_455 . ? C16B C15B C14B 108.9(10) . . ? C59B C16B C58B 129(2) 7_455 7_455 ? C59B C16B C17B 156(2) 7_455 . ? C58B C16B C17B 64.3(14) 7_455 . ? C59B C16B C15B 73.4(16) 7_455 . ? C58B C16B C15B 55.5(12) 7_455 . ? C17B C16B C15B 117.2(12) . . ? C59B C16B C34B 36.6(14) 7_455 . ? C58B C16B C34B 156.8(18) 7_455 . ? C17B C16B C34B 122.7(13) . . ? C15B C16B C34B 107.5(10) . . ? C59B C16B C49B 61.0(15) 7_455 7_455 ? C58B C16B C49B 157.2(18) 7_455 7_455 ? C17B C16B C49B 99.6(12) . 7_455 ? C15B C16B C49B 130.4(12) . 7_455 ? C34B C16B C49B 24.4(6) . 7_455 ? C59B C16B C46B 162(2) 7_455 7_455 ? C58B C16B C46B 50.6(11) 7_455 7_455 ? C17B C16B C46B 13.7(8) . 7_455 ? C15B C16B C46B 104.2(10) . 7_455 ? C34B C16B C46B 135.1(12) . 7_455 ? C49B C16B C46B 112.8(11) 7_455 7_455 ? C59B C16B C60B 31.3(14) 7_455 7_455 ? C58B C16B C60B 97.7(14) 7_455 7_455 ? C17B C16B C60B 147.1(13) . 7_455 ? C15B C16B C60B 43.2(7) . 7_455 ? C34B C16B C60B 64.4(8) . 7_455 ? C49B C16B C60B 87.9(9) 7_455 7_455 ? C46B C16B C60B 139.4(11) 7_455 7_455 ? C46B C17B C47B 107(3) 7_455 7_455 ? C46B C17B C58B 90(2) 7_455 7_455 ? C47B C17B C58B 159.8(18) 7_455 7_455 ? C46B C17B C16B 129(3) 7_455 . ? C47B C17B C16B 123.0(16) 7_455 . ? C58B C17B C16B 39.5(9) 7_455 . ? C46B C17B C18B 20(2) 7_455 . ? C47B C17B C18B 108.8(13) 7_455 . ? C58B C17B C18B 83.0(12) 7_455 . ? C16B C17B C18B 120.7(13) . . ? C46B C17B C37B 112(2) 7_455 . ? C47B C17B C37B 9.2(14) 7_455 . ? C58B C17B C37B 151.1(16) 7_455 . ? C16B C17B C37B 116.6(13) . . ? C18B C17B C37B 110.5(11) . . ? C46B C17B C45B 24(2) 7_455 7_455 ? C47B C17B C45B 94.1(11) 7_455 7_455 ? C58B C17B C45B 97.3(12) 7_455 7_455 ? C16B C17B C45B 133.4(12) . 7_455 ? C18B C17B C45B 14.8(6) . 7_455 ? C37B C17B C45B 96.0(9) . 7_455 ? C46B C17B C48B 148(3) 7_455 7_455 ? C47B C17B C48B 42.1(9) 7_455 7_455 ? C58B C17B C48B 119.2(12) 7_455 7_455 ? C16B C17B C48B 80.9(10) . 7_455 ? C18B C17B C48B 141.9(12) . 7_455 ? C37B C17B C48B 36.4(8) . 7_455 ? C45B C17B C48B 129.2(10) 7_455 7_455 ? C45B C18B C46B 128(2) 7_455 7_455 ? C45B C18B C4B 105(2) 7_455 . ? C46B C18B C4B 126.3(15) 7_455 . ? C45B C18B C19B 22.6(17) 7_455 . ? C46B C18B C19B 109.8(14) 7_455 . ? C4B C18B C19B 118.5(13) . . ? C45B C18B C17B 129(2) 7_455 . ? C46B C18B C17B 10.8(12) 7_455 . ? C4B C18B C17B 121.4(12) . . ? C19B C18B C17B 108.8(11) . . ? C45B C18B C44B 66.4(18) 7_455 7_455 ? C46B C18B C44B 162.2(17) 7_455 7_455 ? C4B C18B C44B 39.0(8) . 7_455 ? C19B C18B C44B 80.6(12) . 7_455 ? C17B C18B C44B 152.8(14) . 7_455 ? C45B C18B C58B 167(3) 7_455 7_455 ? C46B C18B C58B 48.6(10) 7_455 7_455 ? C4B C18B C58B 77.8(9) . 7_455 ? C19B C18B C58B 145.5(13) . 7_455 ? C17B C18B C58B 44.3(8) . 7_455 ? C44B C18B C58B 114.9(11) 7_455 7_455 ? C45B C18B C27B 30.1(16) 7_455 7_455 ? C46B C18B C27B 100.8(12) 7_455 7_455 ? C4B C18B C27B 126.9(11) . 7_455 ? C19B C18B C27B 9.0(7) . 7_455 ? C17B C18B C27B 100.1(9) . 7_455 ? C44B C18B C27B 89.5(10) 7_455 7_455 ? C58B C18B C27B 139.1(11) 7_455 7_455 ? C27B C19B C45B 158(3) 7_455 7_455 ? C27B C19B C20B 86(2) 7_455 . ? C45B C19B C20B 114.9(18) 7_455 . ? C27B C19B C38B 44.2(19) 7_455 . ? C45B C19B C38B 119.5(17) 7_455 . ? C20B C19B C38B 120.7(13) . . ? C27B C19B C18B 148(2) 7_455 . ? C45B C19B C18B 15.7(12) 7_455 . ? C20B C19B C18B 123.7(14) . . ? C38B C19B C18B 105.4(12) . . ? C27B C19B C26B 56.1(18) 7_455 7_455 ? C45B C19B C26B 145.4(18) 7_455 7_455 ? C20B C19B C26B 30.9(7) . 7_455 ? C38B C19B C26B 91.0(11) . 7_455 ? C18B C19B C26B 150.6(14) . 7_455 ? C27B C19B C28B 46.9(18) 7_455 7_455 ? C45B C19B C28B 116.4(16) 7_455 7_455 ? C20B C19B C28B 123.9(12) . 7_455 ? C38B C19B C28B 3.3(8) . 7_455 ? C18B C19B C28B 102.5(10) . 7_455 ? C26B C19B C28B 94.3(9) 7_455 7_455 ? C27B C19B C44B 160(2) 7_455 7_455 ? C45B C19B C44B 41.9(12) 7_455 7_455 ? C20B C19B C44B 73.4(10) . 7_455 ? C38B C19B C44B 148.5(13) . 7_455 ? C18B C19B C44B 51.0(9) . 7_455 ? C26B C19B C44B 103.5(10) 7_455 7_455 ? C28B C19B C44B 146.9(11) 7_455 7_455 ? C27B C19B C46B 121(2) 7_455 7_455 ? C45B C19B C46B 41.0(11) 7_455 7_455 ? C20B C19B C46B 146.5(13) . 7_455 ? C38B C19B C46B 78.7(10) . 7_455 ? C18B C19B C46B 27.1(7) . 7_455 ? C26B C19B C46B 157.2(12) 7_455 7_455 ? C28B C19B C46B 75.6(8) 7_455 7_455 ? C44B C19B C46B 77.4(8) 7_455 7_455 ? C26B C20B C25B 97.7(17) 7_455 7_455 ? C26B C20B C19B 92.3(15) 7_455 . ? C25B C20B C19B 160.3(18) 7_455 . ? C26B C20B C6B 145.9(19) 7_455 . ? C25B C20B C6B 49.1(11) 7_455 . ? C19B C20B C6B 117.4(14) . . ? C26B C20B C21B 32.9(12) 7_455 . ? C25B C20B C21B 66.1(12) 7_455 . ? C19B C20B C21B 119.3(13) . . ? C6B C20B C21B 113.1(13) . . ? C26B C20B C27B 68.9(12) 7_455 7_455 ? C25B C20B C27B 162.2(17) 7_455 7_455 ? C19B C20B C27B 23.8(8) . 7_455 ? C6B C20B C27B 141.0(15) . 7_455 ? C21B C20B C27B 98.3(11) . 7_455 ? C26B C20B C24B 149.7(19) 7_455 7_455 ? C25B C20B C24B 55.3(9) 7_455 7_455 ? C19B C20B C24B 110.0(12) . 7_455 ? C6B C20B C24B 8.1(9) . 7_455 ? C21B C20B C24B 117.0(12) . 7_455 ? C27B C20B C24B 133.4(13) 7_455 7_455 ? C26B C20B C45B 117.1(15) 7_455 7_455 ? C25B C20B C45B 140.0(13) 7_455 7_455 ? C19B C20B C45B 25.1(8) . 7_455 ? C6B C20B C45B 92.7(11) . 7_455 ? C21B C20B C45B 140.6(12) . 7_455 ? C27B C20B C45B 48.8(8) 7_455 7_455 ? C24B C20B C45B 85.6(8) 7_455 7_455 ? C26B C20B C44B 154.8(18) 7_455 7_455 ? C25B C20B C44B 99.9(12) 7_455 7_455 ? C19B C20B C44B 65.9(10) . 7_455 ? C6B C20B C44B 51.7(9) . 7_455 ? C21B C20B C44B 150.3(14) . 7_455 ? C27B C20B C44B 89.7(10) 7_455 7_455 ? C24B C20B C44B 44.8(6) 7_455 7_455 ? C45B C20B C44B 41.0(5) 7_455 7_455 ? C26B C21B C10B 107.0(16) 7_455 7_455 ? C26B C21B C40B 92.9(14) 7_455 . ? C10B C21B C40B 14.9(8) 7_455 . ? C26B C21B C22B 135.8(17) 7_455 . ? C10B C21B C22B 114.6(16) 7_455 . ? C40B C21B C22B 126.4(14) . . ? C26B C21B C25B 73.5(13) 7_455 7_455 ? C10B C21B C25B 167(2) 7_455 7_455 ? C40B C21B C25B 157.3(15) . 7_455 ? C22B C21B C25B 62.6(10) . 7_455 ? C26B C21B C9B 168(2) 7_455 7_455 ? C10B C21B C9B 69.2(12) 7_455 7_455 ? C40B C21B C9B 82.0(11) . 7_455 ? C22B C21B C9B 45.5(9) . 7_455 ? C25B C21B C9B 107.5(11) 7_455 7_455 ? C26B C21B C20B 31.3(11) 7_455 . ? C10B C21B C20B 134.2(15) 7_455 . ? C40B C21B C20B 119.3(12) . . ? C22B C21B C20B 104.5(12) . . ? C25B C21B C20B 43.1(9) 7_455 . ? C9B C21B C20B 145.5(14) 7_455 . ? C26B C21B C8B 127.2(16) 7_455 7_455 ? C10B C21B C8B 121.2(15) 7_455 7_455 ? C40B C21B C8B 131.6(13) . 7_455 ? C22B C21B C8B 9.0(8) . 7_455 ? C25B C21B C8B 54.7(7) 7_455 7_455 ? C9B C21B C8B 52.9(7) 7_455 7_455 ? C20B C21B C8B 95.9(10) . 7_455 ? C8B C22B C9B 135(3) 7_455 7_455 ? C8B C22B C21B 143(3) 7_455 . ? C9B C22B C21B 71.1(11) 7_455 . ? C8B C22B C23B 83(3) 7_455 . ? C9B C22B C23B 52.8(10) 7_455 . ? C21B C22B C23B 120.5(13) . . ? C8B C22B C7B 34(2) 7_455 . ? C9B C22B C7B 156.3(16) 7_455 . ? C21B C22B C7B 110.2(12) . . ? C23B C22B C7B 113.6(12) . . ? C8B C22B C25B 87(3) 7_455 7_455 ? C9B C22B C25B 130.2(14) 7_455 7_455 ? C21B C22B C25B 60.0(10) . 7_455 ? C23B C22B C25B 154.9(14) . 7_455 ? C7B C22B C25B 52.4(8) . 7_455 ? C8B C22B C7B 18(2) 7_455 7_455 ? C9B C22B C7B 118.1(14) 7_455 7_455 ? C21B C22B C7B 146.9(14) . 7_455 ? C23B C22B C7B 66.5(10) . 7_455 ? C7B C22B C7B 48.0(12) . 7_455 ? C25B C22B C7B 99.5(12) 7_455 7_455 ? C8B C22B C10B 157(3) 7_455 7_455 ? C9B C22B C10B 45.9(8) 7_455 7_455 ? C21B C22B C10B 25.3(7) . 7_455 ? C23B C22B C10B 96.0(10) . 7_455 ? C7B C22B C10B 131.4(11) . 7_455 ? C25B C22B C10B 84.6(9) 7_455 7_455 ? C7B C22B C10B 146.2(11) 7_455 7_455 ? C9B C23B C1B 73.7(12) 7_455 7_455 ? C9B C23B C22B 50.6(10) 7_455 . ? C1B C23B C22B 122.9(14) 7_455 . ? C9B C23B C24B 160.0(18) 7_455 . ? C1B C23B C24B 104.7(13) 7_455 . ? C22B C23B C24B 122.7(13) . . ? C9B C23B C5B 134.7(16) 7_455 7_455 ? C1B C23B C5B 63.3(10) 7_455 7_455 ? C22B C23B C5B 155.4(15) . 7_455 ? C24B C23B C5B 41.8(8) . 7_455 ? C9B C23B C8B 69.8(10) 7_455 7_455 ? C1B C23B C8B 140.2(15) 7_455 7_455 ? C22B C23B C8B 19.2(7) . 7_455 ? C24B C23B C8B 104.2(12) . 7_455 ? C5B C23B C8B 142.2(14) 7_455 7_455 ? C9B C23B C42B 67.1(11) 7_455 . ? C1B C23B C42B 7.7(11) 7_455 . ? C22B C23B C42B 115.5(12) . . ? C24B C23B C42B 109.5(12) . . ? C5B C23B C42B 68.9(10) 7_455 . ? C8B C23B C42B 132.6(13) 7_455 . ? C9B C23B C7B 116.2(14) 7_455 7_455 ? C1B C23B C7B 152.7(16) 7_455 7_455 ? C22B C23B C7B 66.8(10) . 7_455 ? C24B C23B C7B 56.8(9) . 7_455 ? C5B C23B C7B 97.6(10) 7_455 7_455 ? C8B C23B C7B 47.7(8) 7_455 7_455 ? C42B C23B C7B 151.2(14) . 7_455 ? C9B C23B C6B 157.0(17) 7_455 7_455 ? C1B C23B C6B 112.2(13) 7_455 7_455 ? C22B C23B C6B 115.0(12) . 7_455 ? C24B C23B C6B 7.9(8) . 7_455 ? C5B C23B C6B 49.6(7) 7_455 7_455 ? C8B C23B C6B 96.3(11) 7_455 7_455 ? C42B C23B C6B 116.6(12) . 7_455 ? C7B C23B C6B 48.9(7) 7_455 7_455 ? C6B C24B C5B 144(4) 7_455 7_455 ? C6B C24B C25B 22(3) 7_455 . ? C5B C24B C25B 154.8(16) 7_455 . ? C6B C24B C23B 144(4) 7_455 . ? C5B C24B C23B 71.5(12) 7_455 . ? C25B C24B C23B 122.9(12) . . ? C6B C24B C44B 102(3) 7_455 . ? C5B C24B C44B 42.0(10) 7_455 . ? C25B C24B C44B 115.7(12) . . ? C23B C24B C44B 111.6(12) . . ? C6B C24B C7B 72(3) 7_455 7_455 ? C5B C24B C7B 140.8(15) 7_455 7_455 ? C25B C24B C7B 51.7(8) . 7_455 ? C23B C24B C7B 71.9(11) . 7_455 ? C44B C24B C7B 154.3(15) . 7_455 ? C6B C24B C20B 28(3) 7_455 7_455 ? C5B C24B C20B 119.3(14) 7_455 7_455 ? C25B C24B C20B 37.6(8) . 7_455 ? C23B C24B C20B 149.7(13) . 7_455 ? C44B C24B C20B 78.2(10) . 7_455 ? C7B C24B C20B 87.3(10) 7_455 7_455 ? C20B C25B C6B 81.6(14) 7_455 7_455 ? C20B C25B C7B 147.6(17) 7_455 7_455 ? C6B C25B C7B 76.1(12) 7_455 7_455 ? C20B C25B C24B 87.1(12) 7_455 . ? C6B C25B C24B 8.6(12) 7_455 . ? C7B C25B C24B 68.4(11) 7_455 . ? C20B C25B C21B 70.8(10) 7_455 7_455 ? C6B C25B C21B 147.4(16) 7_455 7_455 ? C7B C25B C21B 119.8(14) 7_455 7_455 ? C24B C25B C21B 147.4(14) . 7_455 ? C20B C25B C26B 35.5(9) 7_455 . ? C6B C25B C26B 116.8(14) 7_455 . ? C7B C25B C26B 150.0(14) 7_455 . ? C24B C25B C26B 121.4(11) . . ? C21B C25B C26B 36.0(9) 7_455 . ? C20B C25B C8B 140.6(14) 7_455 . ? C6B C25B C8B 121.9(14) 7_455 . ? C7B C25B C8B 46.9(10) 7_455 . ? C24B C25B C8B 113.6(10) . . ? C21B C25B C8B 74.9(9) 7_455 . ? C26B C25B C8B 110.3(11) . . ? C20B C25B C22B 126.3(14) 7_455 7_455 ? C6B C25B C22B 139.0(15) 7_455 7_455 ? C7B C25B C22B 65.0(10) 7_455 7_455 ? C24B C25B C22B 130.4(11) . 7_455 ? C21B C25B C22B 57.5(8) 7_455 7_455 ? C26B C25B C22B 93.3(10) . 7_455 ? C8B C25B C22B 18.1(7) . 7_455 ? C20B C26B C21B 115.8(19) 7_455 7_455 ? C20B C26B C27B 76.9(15) 7_455 . ? C21B C26B C27B 150.7(18) 7_455 . ? C20B C26B C25B 46.8(13) 7_455 . ? C21B C26B C25B 70.5(13) 7_455 . ? C27B C26B C25B 122.6(12) . . ? C20B C26B C10B 146.8(18) 7_455 . ? C21B C26B C10B 37.3(10) 7_455 . ? C27B C26B C10B 118.7(11) . . ? C25B C26B C10B 106.9(10) . . ? C20B C26B C19B 56.8(13) 7_455 7_455 ? C21B C26B C19B 150.5(18) 7_455 7_455 ? C27B C26B C19B 20.5(8) . 7_455 ? C25B C26B C19B 102.0(11) . 7_455 ? C10B C26B C19B 132.4(11) . 7_455 ? C20B C26B C40B 152.0(19) 7_455 7_455 ? C21B C26B C40B 55.1(11) 7_455 7_455 ? C27B C26B C40B 100.8(10) . 7_455 ? C25B C26B C40B 122.8(11) . 7_455 ? C10B C26B C40B 18.1(5) . 7_455 ? C19B C26B C40B 116.0(10) 7_455 7_455 ? C19B C27B C38B 114(2) 7_455 7_455 ? C19B C27B C26B 103(2) 7_455 . ? C38B C27B C26B 123.2(16) 7_455 . ? C19B C27B C45B 13.0(18) 7_455 . ? C38B C27B C45B 104.7(14) 7_455 . ? C26B C27B C45B 116.4(12) . . ? C19B C27B C28B 116(2) 7_455 . ? C38B C27B C28B 3.3(12) 7_455 . ? C26B C27B C28B 123.9(13) . . ? C45B C27B C28B 106.5(11) . . ? C19B C27B C20B 69.9(19) 7_455 7_455 ? C38B C27B C20B 145.7(18) 7_455 7_455 ? C26B C27B C20B 34.2(8) . 7_455 ? C45B C27B C20B 82.7(11) . 7_455 ? C28B C27B C20B 148.1(14) . 7_455 ? C19B C27B C18B 22.6(18) 7_455 7_455 ? C38B C27B C18B 92.4(13) 7_455 7_455 ? C26B C27B C18B 123.7(11) . 7_455 ? C45B C27B C18B 12.5(7) . 7_455 ? C28B C27B C18B 94.3(9) . 7_455 ? C20B C27B C18B 91.6(10) 7_455 7_455 ? C19B C27B C39B 140(2) 7_455 7_455 ? C38B C27B C39B 42.8(10) 7_455 7_455 ? C26B C27B C39B 81.2(10) . 7_455 ? C45B C27B C39B 138.3(12) . 7_455 ? C28B C27B C39B 42.9(8) . 7_455 ? C20B C27B C39B 110.9(11) 7_455 7_455 ? C18B C27B C39B 126.5(10) 7_455 7_455 ? C38B C28B C37B 112(4) 7_455 7_455 ? C38B C28B C39B 89(3) 7_455 7_455 ? C37B C28B C39B 130.4(13) 7_455 7_455 ? C38B C28B C29B 110(4) 7_455 . ? C37B C28B C29B 114.3(13) 7_455 . ? C39B C28B C29B 21.9(9) 7_455 . ? C38B C28B C47B 103(3) 7_455 . ? C37B C28B C47B 13.9(10) 7_455 . ? C39B C28B C47B 143.0(13) 7_455 . ? C29B C28B C47B 128.1(12) . . ? C38B C28B C27B 10(4) 7_455 . ? C37B C28B C27B 119.0(12) 7_455 . ? C39B C28B C27B 89.5(12) 7_455 . ? C29B C28B C27B 111.3(12) . . ? C47B C28B C27B 108.0(11) . . ? C38B C28B C19B 13(3) 7_455 7_455 ? C37B C28B C19B 102.0(10) 7_455 7_455 ? C39B C28B C19B 101.7(11) 7_455 7_455 ? C29B C28B C19B 122.7(12) . 7_455 ? C47B C28B C19B 91.2(10) . 7_455 ? C27B C28B C19B 17.1(7) . 7_455 ? C39B C29B C54B 122(3) 7_455 7_455 ? C39B C29B C28B 77(2) 7_455 . ? C54B C29B C28B 140.1(16) 7_455 . ? C39B C29B C30B 148(4) 7_455 . ? C54B C29B C30B 32.5(8) 7_455 . ? C28B C29B C30B 112.7(12) . . ? C39B C29B C11B 50(2) 7_455 . ? C54B C29B C11B 77.3(11) 7_455 . ? C28B C29B C11B 126.6(14) . . ? C30B C29B C11B 109.6(11) . . ? C39B C29B C38B 65(2) 7_455 7_455 ? C54B C29B C38B 143.2(17) 7_455 7_455 ? C28B C29B C38B 13.1(8) . 7_455 ? C30B C29B C38B 121.3(13) . 7_455 ? C11B C29B C38B 113.6(13) . 7_455 ? C39B C29B C40B 26(2) 7_455 7_455 ? C54B C29B C40B 98.7(12) 7_455 7_455 ? C28B C29B C40B 102.3(11) . 7_455 ? C30B C29B C40B 129.2(11) . 7_455 ? C11B C29B C40B 24.4(6) . 7_455 ? C38B C29B C40B 89.3(10) 7_455 7_455 ? C53B C30B C54B 142(2) 7_455 7_455 ? C53B C30B C31B 24.0(13) 7_455 . ? C54B C30B C31B 153(2) 7_455 . ? C53B C30B C29B 143.7(19) 7_455 . ? C54B C30B C29B 50.9(13) 7_455 . ? C31B C30B C29B 124.0(12) . . ? C53B C30B C13B 93.3(17) 7_455 . ? C54B C30B C13B 55.8(12) 7_455 . ? C31B C30B C13B 116.6(12) . . ? C29B C30B C13B 106.3(11) . . ? C53B C30B C36B 49.2(14) 7_455 7_455 ? C54B C30B C36B 138.6(18) 7_455 7_455 ? C31B C30B C36B 26.2(8) . 7_455 ? C29B C30B C36B 97.9(9) . 7_455 ? C13B C30B C36B 135.5(12) . 7_455 ? C53B C30B C39B 141.0(17) 7_455 7_455 ? C54B C30B C39B 46.0(12) 7_455 7_455 ? C31B C30B C39B 124.5(11) . 7_455 ? C29B C30B C39B 8.4(10) . 7_455 ? C13B C30B C39B 100.2(10) . 7_455 ? C36B C30B C39B 99.1(9) 7_455 7_455 ? C53B C30B C52B 28.6(14) 7_455 7_455 ? C54B C30B C52B 116.0(16) 7_455 7_455 ? C31B C30B C52B 52.1(9) . 7_455 ? C29B C30B C52B 149.0(13) . 7_455 ? C13B C30B C52B 64.7(8) . 7_455 ? C36B C30B C52B 75.2(8) 7_455 7_455 ? C39B C30B C52B 141.2(10) 7_455 7_455 ? C53B C31B C36B 126(2) 7_455 7_455 ? C53B C31B C30B 21.5(13) 7_455 . ? C36B C31B C30B 106.9(17) 7_455 . ? C53B C31B C32B 103.5(17) 7_455 . ? C36B C31B C32B 116.5(16) 7_455 . ? C30B C31B C32B 124.3(13) . . ? C53B C31B C48B 138(2) 7_455 . ? C36B C31B C48B 12.5(12) 7_455 . ? C30B C31B C48B 119.3(12) . . ? C32B C31B C48B 105.5(11) . . ? C53B C31B C52B 64.0(14) 7_455 7_455 ? C36B C31B C52B 146.2(16) 7_455 7_455 ? C30B C31B C52B 85.2(11) . 7_455 ? C32B C31B C52B 39.7(8) . 7_455 ? C48B C31B C52B 139.8(12) . 7_455 ? C53B C31B C35B 148(2) 7_455 7_455 ? C36B C31B C35B 63.1(13) 7_455 7_455 ? C30B C31B C35B 153.7(14) . 7_455 ? C32B C31B C35B 54.2(8) . 7_455 ? C48B C31B C35B 51.5(8) . 7_455 ? C52B C31B C35B 92.0(9) 7_455 7_455 ? C53B C31B C51B 108.5(16) 7_455 7_455 ? C36B C31B C51B 108.1(15) 7_455 7_455 ? C30B C31B C51B 128.2(11) . 7_455 ? C32B C31B C51B 8.8(7) . 7_455 ? C48B C31B C51B 97.5(10) . 7_455 ? C52B C31B C51B 45.8(6) 7_455 7_455 ? C35B C31B C51B 46.6(6) 7_455 7_455 ? C51B C32B C52B 118(2) 7_455 7_455 ? C51B C32B C33B 79.1(18) 7_455 . ? C52B C32B C33B 39.7(9) 7_455 . ? C51B C32B C35B 83.5(18) 7_455 7_455 ? C52B C32B C35B 144.0(14) 7_455 7_455 ? C33B C32B C35B 151.6(12) . 7_455 ? C51B C32B C31B 151(2) 7_455 . ? C52B C32B C31B 79.5(11) 7_455 . ? C33B C32B C31B 118.2(11) . . ? C35B C32B C31B 70.8(10) 7_455 . ? C51B C32B C50B 44.2(17) 7_455 . ? C52B C32B C50B 152.3(14) 7_455 . ? C33B C32B C50B 120.7(11) . . ? C35B C32B C50B 39.5(7) 7_455 . ? C31B C32B C50B 109.8(11) . . ? C51B C32B C53B 156(2) 7_455 7_455 ? C52B C32B C53B 54.3(9) 7_455 7_455 ? C33B C32B C53B 92.9(9) . 7_455 ? C35B C32B C53B 93.9(9) 7_455 7_455 ? C31B C32B C53B 25.4(7) . 7_455 ? C50B C32B C53B 130.3(10) . 7_455 ? C51B C32B C36B 129(2) 7_455 7_455 ? C52B C32B C36B 98.8(11) 7_455 7_455 ? C33B C32B C36B 134.0(10) . 7_455 ? C35B C32B C36B 48.8(7) 7_455 7_455 ? C31B C32B C36B 22.5(7) . 7_455 ? C50B C32B C36B 87.4(8) . 7_455 ? C53B C32B C36B 45.3(6) 7_455 7_455 ? C51B C32B C50B 12.4(15) 7_455 7_455 ? C52B C32B C50B 106.6(12) 7_455 7_455 ? C33B C32B C50B 68.7(8) . 7_455 ? C35B C32B C50B 90.7(10) 7_455 7_455 ? C31B C32B C50B 150.4(11) . 7_455 ? C50B C32B C50B 52.6(9) . 7_455 ? C53B C32B C50B 145.3(10) 7_455 7_455 ? C36B C32B C50B 131.7(10) 7_455 7_455 ? C52B C33B C60B 87.8(14) 7_455 7_455 ? C52B C33B C32B 49.7(11) 7_455 . ? C60B C33B C32B 135.0(13) 7_455 . ? C52B C33B C51B 75.7(12) 7_455 7_455 ? C60B C33B C51B 153.4(14) 7_455 7_455 ? C32B C33B C51B 26.4(7) . 7_455 ? C52B C33B C14B 71.1(12) 7_455 . ? C60B C33B C14B 16.9(8) 7_455 . ? C32B C33B C14B 119.3(10) . . ? C51B C33B C14B 141.9(11) 7_455 . ? C52B C33B C34B 155.5(15) 7_455 . ? C60B C33B C34B 93.4(11) 7_455 . ? C32B C33B C34B 118.9(11) . . ? C51B C33B C34B 93.3(10) 7_455 . ? C14B C33B C34B 109.5(9) . . ? C52B C33B C59B 140.4(15) 7_455 7_455 ? C60B C33B C59B 58.1(9) 7_455 7_455 ? C32B C33B C59B 147.6(11) . 7_455 ? C51B C33B C59B 126.1(11) 7_455 7_455 ? C14B C33B C59B 74.5(8) . 7_455 ? C34B C33B C59B 35.5(6) . 7_455 ? C52B C33B C50B 117.9(14) 7_455 7_455 ? C60B C33B C50B 137.5(12) 7_455 7_455 ? C32B C33B C50B 70.6(8) . 7_455 ? C51B C33B C50B 44.4(7) 7_455 7_455 ? C14B C33B C50B 148.3(9) . 7_455 ? C34B C33B C50B 49.0(7) . 7_455 ? C59B C33B C50B 83.4(7) 7_455 7_455 ? C49B C34B C59B 114(2) 7_455 7_455 ? C49B C34B C35B 35.3(16) 7_455 . ? C59B C34B C35B 143.7(13) 7_455 . ? C49B C34B C16B 89.0(18) 7_455 . ? C59B C34B C16B 25.1(9) 7_455 . ? C35B C34B C16B 119.9(10) . . ? C49B C34B C33B 155(2) 7_455 . ? C59B C34B C33B 84.5(11) 7_455 . ? C35B C34B C33B 120.5(10) . . ? C16B C34B C33B 108.0(10) . . ? C49B C34B C50B 74.2(17) 7_455 7_455 ? C59B C34B C50B 158.9(14) 7_455 7_455 ? C35B C34B C50B 39.1(7) . 7_455 ? C16B C34B C50B 152.5(12) . 7_455 ? C33B C34B C50B 82.9(9) . 7_455 ? C49B C34B C60B 155.1(19) 7_455 7_455 ? C59B C34B C60B 48.6(9) 7_455 7_455 ? C35B C34B C60B 146.7(10) . 7_455 ? C16B C34B C60B 72.0(9) . 7_455 ? C33B C34B C60B 36.1(7) . 7_455 ? C50B C34B C60B 116.2(9) 7_455 7_455 ? C49B C34B C48B 13.5(16) 7_455 7_455 ? C59B C34B C48B 103.9(11) 7_455 7_455 ? C35B C34B C48B 41.8(7) . 7_455 ? C16B C34B C48B 78.9(9) . 7_455 ? C33B C34B C48B 152.2(10) . 7_455 ? C50B C34B C48B 80.5(8) 7_455 7_455 ? C60B C34B C48B 141.5(9) 7_455 7_455 ? C49B C35B C50B 98.8(16) 7_455 7_455 ? C49B C35B C48B 72.7(12) 7_455 7_455 ? C50B C35B C48B 165.6(17) 7_455 7_455 ? C49B C35B C34B 23.7(10) 7_455 . ? C50B C35B C34B 75.4(12) 7_455 . ? C48B C35B C34B 95.0(11) 7_455 . ? C49B C35B C32B 162.8(17) 7_455 7_455 ? C50B C35B C32B 72.4(11) 7_455 7_455 ? C48B C35B C32B 112.4(12) 7_455 7_455 ? C34B C35B C32B 143.0(11) . 7_455 ? C49B C35B C36B 98.9(13) 7_455 . ? C50B C35B C36B 152.9(15) 7_455 . ? C48B C35B C36B 27.6(8) 7_455 . ? C34B C35B C36B 119.3(10) . . ? C32B C35B C36B 84.9(10) 7_455 . ? C49B C35B C51B 142.9(15) 7_455 . ? C50B C35B C51B 47.4(11) 7_455 . ? C48B C35B C51B 135.9(12) 7_455 . ? C34B C35B C51B 119.7(10) . . ? C32B C35B C51B 25.1(7) 7_455 . ? C36B C35B C51B 108.6(10) . . ? C49B C35B C31B 128.9(14) 7_455 7_455 ? C50B C35B C31B 126.6(14) 7_455 7_455 ? C48B C35B C31B 57.7(8) 7_455 7_455 ? C34B C35B C31B 146.5(11) . 7_455 ? C32B C35B C31B 54.9(7) 7_455 7_455 ? C36B C35B C31B 30.3(8) . 7_455 ? C51B C35B C31B 79.5(9) . 7_455 ? C48B C36B C31B 152(3) 7_455 7_455 ? C48B C36B C37B 59.5(18) 7_455 . ? C31B C36B C37B 147.7(18) 7_455 . ? C48B C36B C53B 172(2) 7_455 . ? C31B C36B C53B 26.0(12) 7_455 . ? C37B C36B C53B 121.8(13) . . ? C48B C36B C35B 67.4(17) 7_455 . ? C31B C36B C35B 86.6(15) 7_455 . ? C37B C36B C35B 119.4(12) . . ? C53B C36B C35B 107.3(11) . . ? C48B C36B C47B 52.1(16) 7_455 7_455 ? C31B C36B C47B 155.0(18) 7_455 7_455 ? C37B C36B C47B 7.4(10) . 7_455 ? C53B C36B C47B 129.1(12) . 7_455 ? C35B C36B C47B 113.0(11) . 7_455 ? C48B C36B C30B 160(2) 7_455 7_455 ? C31B C36B C30B 46.9(12) 7_455 7_455 ? C37B C36B C30B 101.0(11) . 7_455 ? C53B C36B C30B 21.8(7) . 7_455 ? C35B C36B C30B 127.8(11) . 7_455 ? C47B C36B C30B 108.4(10) 7_455 7_455 ? C48B C36B C49B 39.6(15) 7_455 7_455 ? C31B C36B C49B 116.2(15) 7_455 7_455 ? C37B C36B C49B 90.0(11) . 7_455 ? C53B C36B C49B 133.9(11) . 7_455 ? C35B C36B C49B 30.0(7) . 7_455 ? C47B C36B C49B 83.3(9) 7_455 7_455 ? C30B C36B C49B 149.9(11) 7_455 7_455 ? C48B C36B C32B 113.8(18) 7_455 7_455 ? C31B C36B C32B 41.0(12) 7_455 7_455 ? C37B C36B C32B 152.8(13) . 7_455 ? C53B C36B C32B 61.3(8) . 7_455 ? C35B C36B C32B 46.3(7) . 7_455 ? C47B C36B C32B 150.9(11) 7_455 7_455 ? C30B C36B C32B 82.7(8) 7_455 7_455 ? C49B C36B C32B 75.4(7) 7_455 7_455 ? C47B C37B C48B 113(4) 7_455 7_455 ? C47B C37B C28B 104(4) 7_455 7_455 ? C48B C37B C28B 143.1(17) 7_455 7_455 ? C47B C37B C36B 142(4) 7_455 . ? C48B C37B C36B 29.2(9) 7_455 . ? C28B C37B C36B 113.8(14) 7_455 . ? C47B C37B C17B 32(5) 7_455 . ? C48B C37B C17B 97.0(14) 7_455 . ? C28B C37B C17B 115.5(12) 7_455 . ? C36B C37B C17B 122.0(13) . . ? C47B C37B C38B 95(4) 7_455 . ? C48B C37B C38B 150.7(18) 7_455 . ? C28B C37B C38B 13.3(8) 7_455 . ? C36B C37B C38B 122.3(15) . . ? C17B C37B C38B 102.7(12) . . ? C47B C37B C46B 27(5) 7_455 7_455 ? C48B C37B C46B 113.8(15) 7_455 7_455 ? C28B C37B C46B 99.2(11) 7_455 7_455 ? C36B C37B C46B 137.5(14) . 7_455 ? C17B C37B C46B 16.8(7) . 7_455 ? C38B C37B C46B 86.7(10) . 7_455 ? C28B C38B C27B 167(5) 7_455 7_455 ? C28B C38B C39B 76(3) 7_455 . ? C27B C38B C39B 104.7(16) 7_455 . ? C28B C38B C19B 164(4) 7_455 . ? C27B C38B C19B 21.9(10) 7_455 . ? C39B C38B C19B 120.4(15) . . ? C28B C38B C37B 54(3) 7_455 . ? C27B C38B C37B 134.1(16) 7_455 . ? C39B C38B C37B 113.6(14) . . ? C19B C38B C37B 112.3(13) . . ? C28B C38B C29B 57(3) 7_455 7_455 ? C27B C38B C29B 124.2(17) 7_455 7_455 ? C39B C38B C29B 19.5(9) . 7_455 ? C19B C38B C29B 138.9(16) . 7_455 ? C37B C38B C29B 96.0(13) . 7_455 ? C28B C38B C47B 64(3) 7_455 7_455 ? C27B C38B C47B 122.7(16) 7_455 7_455 ? C39B C38B C47B 126.8(14) . 7_455 ? C19B C38B C47B 101.5(12) . 7_455 ? C37B C38B C47B 13.1(9) . 7_455 ? C29B C38B C47B 109.0(13) 7_455 7_455 ? C29B C39B C11B 110(3) 7_455 7_455 ? C29B C39B C28B 81(2) 7_455 7_455 ? C11B C39B C28B 166.3(17) 7_455 7_455 ? C29B C39B C38B 96(3) 7_455 . ? C11B C39B C38B 151.4(17) 7_455 . ? C28B C39B C38B 15.4(8) 7_455 . ? C29B C39B C40B 145(3) 7_455 . ? C11B C39B C40B 35.4(8) 7_455 . ? C28B C39B C40B 132.6(13) 7_455 . ? C38B C39B C40B 117.3(13) . . ? C29B C39B C54B 40(2) 7_455 . ? C11B C39B C54B 74.6(11) 7_455 . ? C28B C39B C54B 112.5(13) 7_455 . ? C38B C39B C54B 124.1(14) . . ? C40B C39B C54B 107.3(12) . . ? C29B C39B C30B 24(3) 7_455 7_455 ? C11B C39B C30B 96.9(11) 7_455 7_455 ? C28B C39B C30B 90.4(10) 7_455 7_455 ? C38B C39B C30B 103.0(12) . 7_455 ? C40B C39B C30B 128.5(11) . 7_455 ? C54B C39B C30B 22.3(6) . 7_455 ? C29B C39B C10B 152(3) 7_455 7_455 ? C11B C39B C10B 43.2(8) 7_455 7_455 ? C28B C39B C10B 124.5(11) 7_455 7_455 ? C38B C39B C10B 109.1(11) . 7_455 ? C40B C39B C10B 8.3(6) . 7_455 ? C54B C39B C10B 113.0(11) . 7_455 ? C30B C39B C10B 133.1(10) 7_455 7_455 ? C29B C39B C27B 128(3) 7_455 7_455 ? C11B C39B C27B 120.5(13) 7_455 7_455 ? C28B C39B C27B 47.6(7) 7_455 7_455 ? C38B C39B C27B 32.5(8) . 7_455 ? C40B C39B C27B 85.2(9) . 7_455 ? C54B C39B C27B 148.8(13) . 7_455 ? C30B C39B C27B 132.3(11) 7_455 7_455 ? C10B C39B C27B 77.3(7) 7_455 7_455 ? C10B C40B C11B 153(3) 7_455 7_455 ? C10B C40B C21B 26.1(15) 7_455 . ? C11B C40B C21B 164.6(17) 7_455 . ? C10B C40B C39B 149(2) 7_455 . ? C11B C40B C39B 53.8(13) 7_455 . ? C21B C40B C39B 122.8(12) . . ? C10B C40B C41B 94.8(19) 7_455 . ? C11B C40B C41B 58.6(12) 7_455 . ? C21B C40B C41B 114.6(12) . . ? C39B C40B C41B 106.7(11) . . ? C10B C40B C26B 57.3(16) 7_455 7_455 ? C11B C40B C26B 146.1(15) 7_455 7_455 ? C21B C40B C26B 32.0(8) . 7_455 ? C39B C40B C26B 92.8(9) . 7_455 ? C41B C40B C26B 142.2(11) . 7_455 ? C10B C40B C9B 30.7(15) 7_455 7_455 ? C11B C40B C9B 123.1(14) 7_455 7_455 ? C21B C40B C9B 51.2(9) . 7_455 ? C39B C40B C9B 151.8(11) . 7_455 ? C41B C40B C9B 64.7(9) . 7_455 ? C26B C40B C9B 82.7(8) 7_455 7_455 ? C10B C40B C29B 156(2) 7_455 7_455 ? C11B C40B C29B 44.9(11) 7_455 7_455 ? C21B C40B C29B 130.8(11) . 7_455 ? C39B C40B C29B 9.0(7) . 7_455 ? C41B C40B C29B 98.3(9) . 7_455 ? C26B C40B C29B 101.5(9) 7_455 7_455 ? C9B C40B C29B 150.1(9) 7_455 7_455 ? C12B C41B C2B 74.6(12) 7_455 7_455 ? C12B C41B C11B 74.7(11) 7_455 7_455 ? C2B C41B C11B 147.5(15) 7_455 7_455 ? C12B C41B C42B 124.7(14) 7_455 . ? C2B C41B C42B 50.8(10) 7_455 . ? C11B C41B C42B 153.6(14) 7_455 . ? C12B C41B C55B 6.7(10) 7_455 . ? C2B C41B C55B 71.1(10) 7_455 . ? C11B C41B C55B 77.2(11) 7_455 . ? C42B C41B C55B 120.1(12) . . ? C12B C41B C40B 108.3(13) 7_455 . ? C2B C41B C40B 161.7(15) 7_455 . ? C11B C41B C40B 34.5(7) 7_455 . ? C42B C41B C40B 120.8(13) . . ? C55B C41B C40B 109.7(11) . . ? C12B C41B C10B 127.1(13) 7_455 7_455 ? C2B C41B C10B 149.8(14) 7_455 7_455 ? C11B C41B C10B 53.7(7) 7_455 7_455 ? C42B C41B C10B 102.1(11) . 7_455 ? C55B C41B C10B 127.7(11) . 7_455 ? C40B C41B C10B 19.3(5) . 7_455 ? C12B C41B C1B 131.2(13) 7_455 7_455 ? C2B C41B C1B 58.0(9) 7_455 7_455 ? C11B C41B C1B 146.6(13) 7_455 7_455 ? C42B C41B C1B 7.4(9) . 7_455 ? C55B C41B C1B 126.2(11) . 7_455 ? C40B C41B C1B 113.4(12) . 7_455 ? C10B C41B C1B 94.7(10) 7_455 7_455 ? C12B C41B C9B 163.0(15) 7_455 7_455 ? C2B C41B C9B 104.1(11) 7_455 7_455 ? C11B C41B C9B 102.1(10) 7_455 7_455 ? C42B C41B C9B 53.7(9) . 7_455 ? C55B C41B C9B 156.9(13) . 7_455 ? C40B C41B C9B 67.7(8) . 7_455 ? C10B C41B C9B 48.6(6) 7_455 7_455 ? C1B C41B C9B 46.4(7) 7_455 7_455 ? C1B C42B C2B 152(4) 7_455 7_455 ? C1B C42B C41B 145(4) 7_455 . ? C2B C42B C41B 59.6(10) 7_455 . ? C1B C42B C23B 24(4) 7_455 . ? C2B C42B C23B 159.5(16) 7_455 . ? C41B C42B C23B 121.9(12) . . ? C1B C42B C43B 86(3) 7_455 . ? C2B C42B C43B 66.5(11) 7_455 . ? C41B C42B C43B 122.5(12) . . ? C23B C42B C43B 101.9(11) . . ? C1B C42B C9B 66(3) 7_455 7_455 ? C2B C42B C9B 138.0(14) 7_455 7_455 ? C41B C42B C9B 79.4(10) . 7_455 ? C23B C42B C9B 44.6(8) . 7_455 ? C43B C42B C9B 142.9(12) . 7_455 ? C1B C42B C5B 40(3) 7_455 7_455 ? C2B C42B C5B 113.3(12) 7_455 7_455 ? C41B C42B C5B 153.7(13) . 7_455 ? C23B C42B C5B 55.1(8) . 7_455 ? C43B C42B C5B 47.4(8) . 7_455 ? C9B C42B C5B 99.1(10) 7_455 7_455 ? C4B C43B C3B 90.6(15) 7_455 7_455 ? C4B C43B C5B 81.6(13) 7_455 7_455 ? C3B C43B C5B 161.0(16) 7_455 7_455 ? C4B C43B C57B 80.2(16) 7_455 . ? C3B C43B C57B 10.9(11) 7_455 . ? C5B C43B C57B 153(2) 7_455 . ? C4B C43B C44B 40.7(12) 7_455 . ? C3B C43B C44B 128.6(13) 7_455 . ? C5B C43B C44B 41.0(9) 7_455 . ? C57B C43B C44B 117.8(14) . . ? C4B C43B C2B 152.4(19) 7_455 7_455 ? C3B C43B C2B 65.2(9) 7_455 7_455 ? C5B C43B C2B 116.9(13) 7_455 7_455 ? C57B C43B C2B 74.7(12) . 7_455 ? C44B C43B C2B 151.5(14) . 7_455 ? C4B C43B C42B 151.5(18) 7_455 . ? C3B C43B C42B 108.4(12) 7_455 . ? C5B C43B C42B 73.6(10) 7_455 . ? C57B C43B C42B 116.8(14) . . ? C44B C43B C42B 113.1(12) . . ? C2B C43B C42B 43.9(9) 7_455 . ? C4B C43B C1B 139.6(18) 7_455 7_455 ? C3B C43B C1B 122.5(13) 7_455 7_455 ? C5B C43B C1B 59.5(9) 7_455 7_455 ? C57B C43B C1B 130.4(16) . 7_455 ? C44B C43B C1B 99.6(12) . 7_455 ? C2B C43B C1B 58.2(8) 7_455 7_455 ? C42B C43B C1B 14.3(8) . 7_455 ? C4B C44B C5B 95.6(15) 7_455 7_455 ? C4B C44B C45B 88.7(14) 7_455 . ? C5B C44B C45B 161.3(19) 7_455 . ? C4B C44B C24B 138.0(16) 7_455 . ? C5B C44B C24B 45.6(10) 7_455 . ? C45B C44B C24B 123.0(14) . . ? C4B C44B C43B 35.3(10) 7_455 . ? C5B C44B C43B 60.4(12) 7_455 . ? C45B C44B C43B 121.5(13) . . ? C24B C44B C43B 103.8(11) . . ? C4B C44B C18B 63.9(11) 7_455 7_455 ? C5B C44B C18B 151.8(18) 7_455 7_455 ? C45B C44B C18B 24.8(8) . 7_455 ? C24B C44B C18B 141.9(14) . 7_455 ? C43B C44B C18B 96.9(11) . 7_455 ? C4B C44B C6B 150.9(17) 7_455 7_455 ? C5B C44B C6B 60.3(11) 7_455 7_455 ? C45B C44B C6B 109.2(13) . 7_455 ? C24B C44B C6B 14.8(7) . 7_455 ? C43B C44B C6B 118.1(12) . 7_455 ? C18B C44B C6B 130.5(13) 7_455 7_455 ? C4B C44B C19B 111.2(14) 7_455 7_455 ? C5B C44B C19B 139.4(16) 7_455 7_455 ? C45B C44B C19B 25.8(8) . 7_455 ? C24B C44B C19B 97.2(11) . 7_455 ? C43B C44B C19B 138.2(13) . 7_455 ? C18B C44B C19B 48.4(7) 7_455 7_455 ? C6B C44B C19B 83.6(9) 7_455 7_455 ? C4B C44B C20B 146.7(16) 7_455 7_455 ? C5B C44B C20B 101.9(14) 7_455 7_455 ? C45B C44B C20B 66.3(10) . 7_455 ? C24B C44B C20B 57.0(8) . 7_455 ? C43B C44B C20B 147.0(14) . 7_455 ? C18B C44B C20B 88.7(9) 7_455 7_455 ? C6B C44B C20B 42.9(7) 7_455 7_455 ? C19B C44B C20B 40.7(5) 7_455 7_455 ? C18B C45B C19B 142(3) 7_455 7_455 ? C18B C45B C44B 89(2) 7_455 . ? C19B C45B C44B 112.3(18) 7_455 . ? C18B C45B C46B 31.9(17) 7_455 . ? C19B C45B C46B 114.9(16) 7_455 . ? C44B C45B C46B 119.9(13) . . ? C18B C45B C27B 137(2) 7_455 . ? C19B C45B C27B 8.5(12) 7_455 . ? C44B C45B C27B 120.8(13) . . ? C46B C45B C27B 108.4(10) . . ? C18B C45B C4B 53.4(16) 7_455 7_455 ? C19B C45B C4B 141.5(17) 7_455 7_455 ? C44B C45B C4B 35.6(8) . 7_455 ? C46B C45B C4B 84.9(11) . 7_455 ? C27B C45B C4B 149.1(12) . 7_455 ? C18B C45B C17B 35.9(16) 7_455 7_455 ? C19B C45B C17B 108.3(15) 7_455 7_455 ? C44B C45B C17B 120.6(13) . 7_455 ? C46B C45B C17B 8.6(9) . 7_455 ? C27B C45B C17B 102.4(9) . 7_455 ? C4B C45B C17B 87.1(10) 7_455 7_455 ? C18B C45B C20B 147(2) 7_455 7_455 ? C19B C45B C20B 40.1(12) 7_455 7_455 ? C44B C45B C20B 72.7(10) . 7_455 ? C46B C45B C20B 145.9(12) . 7_455 ? C27B C45B C20B 48.4(8) . 7_455 ? C4B C45B C20B 105.7(9) 7_455 7_455 ? C17B C45B C20B 137.3(10) 7_455 7_455 ? C17B C46B C18B 150(4) 7_455 7_455 ? C17B C46B C58B 67(2) 7_455 . ? C18B C46B C58B 99.9(14) 7_455 . ? C17B C46B C47B 52(2) 7_455 . ? C18B C46B C47B 126.3(16) 7_455 . ? C58B C46B C47B 118.1(14) . . ? C17B C46B C45B 148(3) 7_455 . ? C18B C46B C45B 20.3(10) 7_455 . ? C58B C46B C45B 119.3(13) . . ? C47B C46B C45B 107.9(12) . . ? C17B C46B C37B 51(2) 7_455 7_455 ? C18B C46B C37B 122.6(15) 7_455 7_455 ? C58B C46B C37B 115.9(13) . 7_455 ? C47B C46B C37B 6.5(13) . 7_455 ? C45B C46B C37B 105.3(11) . 7_455 ? C17B C46B C16B 37(2) 7_455 7_455 ? C18B C46B C16B 126.0(15) 7_455 7_455 ? C58B C46B C16B 30.2(8) . 7_455 ? C47B C46B C16B 88.4(12) . 7_455 ? C45B C46B C16B 142.0(13) . 7_455 ? C37B C46B C16B 87.1(10) 7_455 7_455 ? C17B C46B C19B 127(3) 7_455 7_455 ? C18B C46B C19B 43.2(10) 7_455 7_455 ? C58B C46B C19B 134.2(13) . 7_455 ? C47B C46B C19B 83.8(10) . 7_455 ? C45B C46B C19B 24.2(7) . 7_455 ? C37B C46B C19B 81.2(9) 7_455 7_455 ? C16B C46B C19B 142.7(11) 7_455 7_455 ? C37B C47B C17B 139(6) 7_455 7_455 ? C37B C47B C48B 53(4) 7_455 . ? C17B C47B C48B 102.9(15) 7_455 . ? C37B C47B C46B 146(6) 7_455 . ? C17B C47B C46B 21.2(9) 7_455 . ? C48B C47B C46B 123.8(15) . . ? C37B C47B C28B 62(4) 7_455 . ? C17B C47B C28B 127.6(15) 7_455 . ? C48B C47B C28B 115.3(13) . . ? C46B C47B C28B 109.2(13) . . ? C37B C47B C38B 72(4) 7_455 7_455 ? C17B C47B C38B 114.3(15) 7_455 7_455 ? C48B C47B C38B 124.5(15) . 7_455 ? C46B C47B C38B 96.0(12) . 7_455 ? C28B C47B C38B 13.4(7) . 7_455 ? C37B C47B C36B 30(4) 7_455 7_455 ? C17B C47B C36B 120.4(16) 7_455 7_455 ? C48B C47B C36B 22.9(7) . 7_455 ? C46B C47B C36B 138.8(15) . 7_455 ? C28B C47B C36B 92.5(11) . 7_455 ? C38B C47B C36B 101.9(12) 7_455 7_455 ? C36B C48B C37B 91(2) 7_455 7_455 ? C36B C48B C35B 85.0(19) 7_455 7_455 ? C37B C48B C35B 149.3(19) 7_455 7_455 ? C36B C48B C47B 105(2) 7_455 . ? C37B C48B C47B 13.8(11) 7_455 . ? C35B C48B C47B 148.2(17) 7_455 . ? C36B C48B C49B 122(2) 7_455 . ? C37B C48B C49B 126.1(16) 7_455 . ? C35B C48B C49B 39.8(8) 7_455 . ? C47B C48B C49B 116.1(14) . . ? C36B C48B C31B 15.3(15) 7_455 . ? C37B C48B C31B 106.3(15) 7_455 . ? C35B C48B C31B 70.9(11) 7_455 . ? C47B C48B C31B 120.1(14) . . ? C49B C48B C31B 109.7(12) . . ? C36B C48B C17B 130(2) 7_455 7_455 ? C37B C48B C17B 46.6(9) 7_455 7_455 ? C35B C48B C17B 117.1(12) 7_455 7_455 ? C47B C48B C17B 35.0(9) . 7_455 ? C49B C48B C17B 81.2(10) . 7_455 ? C31B C48B C17B 141.9(14) . 7_455 ? C36B C48B C34B 123(2) 7_455 7_455 ? C37B C48B C34B 120.3(14) 7_455 7_455 ? C35B C48B C34B 43.2(7) 7_455 7_455 ? C47B C48B C34B 110.8(12) . 7_455 ? C49B C48B C34B 6.3(7) . 7_455 ? C31B C48B C34B 111.4(10) . 7_455 ? C17B C48B C34B 76.1(7) 7_455 7_455 ? C34B C49B C35B 121(2) 7_455 7_455 ? C34B C49B C59B 40.4(15) 7_455 . ? C35B C49B C59B 153.0(18) 7_455 . ? C34B C49B C48B 160(2) 7_455 . ? C35B C49B C48B 67.6(12) 7_455 . ? C59B C49B C48B 123.8(13) . . ? C34B C49B C50B 80.1(18) 7_455 . ? C35B C49B C50B 41.2(11) 7_455 . ? C59B C49B C50B 117.8(12) . . ? C48B C49B C50B 108.0(11) . . ? C34B C49B C16B 66.6(16) 7_455 7_455 ? C35B C49B C16B 154.5(17) 7_455 7_455 ? C59B C49B C16B 26.2(7) . 7_455 ? C48B C49B C16B 98.1(12) . 7_455 ? C50B C49B C16B 140.3(13) . 7_455 ? C34B C49B C36B 155(2) 7_455 7_455 ? C35B C49B C36B 51.1(10) 7_455 7_455 ? C59B C49B C36B 133.9(12) . 7_455 ? C48B C49B C36B 18.0(8) . 7_455 ? C50B C49B C36B 90.5(9) . 7_455 ? C16B C49B C36B 110.8(10) 7_455 7_455 ? C35B C50B C51B 91.8(15) 7_455 7_455 ? C35B C50B C51B 152.3(17) 7_455 . ? C51B C50B C51B 99.9(12) 7_455 . ? C35B C50B C49B 39.9(10) 7_455 . ? C51B C50B C49B 129.5(13) 7_455 . ? C51B C50B C49B 118.4(12) . . ? C35B C50B C32B 68.1(11) 7_455 . ? C51B C50B C32B 23.8(9) 7_455 . ? C51B C50B C32B 122.1(12) . . ? C49B C50B C32B 106.8(10) . . ? C35B C50B C34B 65.5(11) 7_455 7_455 ? C51B C50B C34B 149.7(15) 7_455 7_455 ? C51B C50B C34B 93.5(11) . 7_455 ? C49B C50B C34B 25.7(6) . 7_455 ? C32B C50B C34B 130.2(11) . 7_455 ? C35B C50B C50B 144.4(16) 7_455 7_455 ? C51B C50B C50B 57.8(11) 7_455 7_455 ? C51B C50B C50B 42.5(8) . 7_455 ? C49B C50B C50B 151.7(10) . 7_455 ? C32B C50B C50B 81.0(12) . 7_455 ? C34B C50B C50B 132.7(12) 7_455 7_455 ? C35B C50B C33B 112.2(13) 7_455 7_455 ? C51B C50B C33B 140.0(13) 7_455 7_455 ? C51B C50B C33B 45.5(8) . 7_455 ? C49B C50B C33B 73.5(8) . 7_455 ? C32B C50B C33B 151.7(11) . 7_455 ? C34B C50B C33B 48.1(7) 7_455 7_455 ? C50B C50B C33B 86.9(10) 7_455 7_455 ? C35B C50B C32B 146.7(15) 7_455 7_455 ? C51B C50B C32B 103.2(12) 7_455 7_455 ? C51B C50B C32B 5.7(7) . 7_455 ? C49B C50B C32B 113.0(11) . 7_455 ? C32B C50B C32B 124.4(10) . 7_455 ? C34B C50B C32B 88.4(10) 7_455 7_455 ? C50B C50B C32B 46.5(7) 7_455 7_455 ? C33B C50B C32B 40.7(5) 7_455 7_455 ? C32B C51B C50B 112(2) 7_455 7_455 ? C32B C51B C50B 162(2) 7_455 . ? C50B C51B C50B 79.7(12) 7_455 . ? C32B C51B C33B 74.5(18) 7_455 7_455 ? C50B C51B C33B 160.9(15) 7_455 7_455 ? C50B C51B C33B 90.1(11) . 7_455 ? C32B C51B C52B 39.4(16) 7_455 . ? C50B C51B C52B 144.6(14) 7_455 . ? C50B C51B C52B 123.7(12) . . ? C33B C51B C52B 35.7(7) 7_455 . ? C32B C51B C35B 71.4(17) 7_455 . ? C50B C51B C35B 40.8(9) 7_455 . ? C50B C51B C35B 118.1(11) . . ? C33B C51B C35B 139.3(11) 7_455 . ? C52B C51B C35B 105.8(10) . . ? C32B C51B C51B 152(2) 7_455 7_455 ? C50B C51B C51B 45.4(9) 7_455 7_455 ? C50B C51B C51B 34.7(7) . 7_455 ? C33B C51B C51B 121.5(12) 7_455 7_455 ? C52B C51B C51B 147.0(9) . 7_455 ? C35B C51B C51B 83.7(10) . 7_455 ? C32B C51B C31B 20.1(15) 7_455 7_455 ? C50B C51B C31B 94.5(12) 7_455 7_455 ? C50B C51B C31B 155.1(12) . 7_455 ? C33B C51B C31B 87.9(9) 7_455 7_455 ? C52B C51B C31B 52.5(7) . 7_455 ? C35B C51B C31B 53.9(7) . 7_455 ? C51B C51B C31B 132.0(10) 7_455 7_455 ? C33B C52B C32B 90.7(14) 7_455 7_455 ? C33B C52B C60B 53.4(12) 7_455 . ? C32B C52B C60B 141.1(14) 7_455 . ? C33B C52B C14B 73.4(12) 7_455 7_455 ? C32B C52B C14B 159.0(14) 7_455 7_455 ? C60B C52B C14B 20.1(6) . 7_455 ? C33B C52B C53B 164.9(17) 7_455 . ? C32B C52B C53B 89.9(12) 7_455 . ? C60B C52B C53B 120.7(12) . . ? C14B C52B C53B 101.9(11) 7_455 . ? C33B C52B C51B 68.6(12) 7_455 . ? C32B C52B C51B 22.6(9) 7_455 . ? C60B C52B C51B 118.7(11) . . ? C14B C52B C51B 137.7(11) 7_455 . ? C53B C52B C51B 109.9(11) . . ? C33B C52B C31B 149.2(16) 7_455 7_455 ? C32B C52B C31B 60.8(10) 7_455 7_455 ? C60B C52B C31B 147.0(13) . 7_455 ? C14B C52B C31B 130.3(11) 7_455 7_455 ? C53B C52B C31B 29.2(7) . 7_455 ? C51B C52B C31B 81.7(9) . 7_455 ? C33B C52B C13B 117.8(14) 7_455 7_455 ? C32B C52B C13B 144.2(12) 7_455 7_455 ? C60B C52B C13B 64.6(8) . 7_455 ? C14B C52B C13B 45.2(6) 7_455 7_455 ? C53B C52B C13B 56.9(8) . 7_455 ? C51B C52B C13B 154.1(11) . 7_455 ? C31B C52B C13B 85.8(8) 7_455 7_455 ? C33B C52B C30B 156.9(15) 7_455 7_455 ? C32B C52B C30B 102.9(11) 7_455 7_455 ? C60B C52B C30B 107.3(10) . 7_455 ? C14B C52B C30B 88.4(8) 7_455 7_455 ? C53B C52B C30B 13.6(7) . 7_455 ? C51B C52B C30B 121.9(9) . 7_455 ? C31B C52B C30B 42.6(6) 7_455 7_455 ? C13B C52B C30B 43.3(5) 7_455 7_455 ? C30B C53B C31B 134(2) 7_455 7_455 ? C30B C53B C54B 19.9(13) 7_455 . ? C31B C53B C54B 146(2) 7_455 . ? C30B C53B C36B 109.1(18) 7_455 . ? C31B C53B C36B 27.6(14) 7_455 . ? C54B C53B C36B 118.0(12) . . ? C30B C53B C52B 137.8(19) 7_455 . ? C31B C53B C52B 86.8(16) 7_455 . ? C54B C53B C52B 120.0(13) . . ? C36B C53B C52B 108.4(12) . . ? C30B C53B C13B 61.5(14) 7_455 7_455 ? C31B C53B C13B 161(2) 7_455 7_455 ? C54B C53B C13B 45.6(8) . 7_455 ? C36B C53B C13B 153.9(14) . 7_455 ? C52B C53B C13B 76.3(9) . 7_455 ? C30B C53B C32B 168.1(19) 7_455 7_455 ? C31B C53B C32B 51.1(13) 7_455 7_455 ? C54B C53B C32B 148.7(13) . 7_455 ? C36B C53B C32B 73.3(9) . 7_455 ? C52B C53B C32B 35.8(7) . 7_455 ? C13B C53B C32B 111.1(10) 7_455 7_455 ? C30B C54B C29B 96.6(16) 7_455 7_455 ? C30B C54B C13B 92.1(15) 7_455 7_455 ? C29B C54B C13B 167.8(16) 7_455 7_455 ? C30B C54B C53B 18.1(13) 7_455 . ? C29B C54B C53B 108.0(13) 7_455 . ? C13B C54B C53B 78.5(11) 7_455 . ? C30B C54B C55B 134.7(16) 7_455 . ? C29B C54B C55B 127.1(14) 7_455 . ? C13B C54B C55B 42.8(8) 7_455 . ? C53B C54B C55B 119.2(11) . . ? C30B C54B C39B 111.7(16) 7_455 . ? C29B C54B C39B 17.4(11) 7_455 . ? C13B C54B C39B 150.6(14) 7_455 . ? C53B C54B C39B 120.1(12) . . ? C55B C54B C39B 110.3(12) . . ? C30B C54B C12B 150.2(17) 7_455 7_455 ? C29B C54B C12B 111.5(12) 7_455 7_455 ? C13B C54B C12B 58.7(8) 7_455 7_455 ? C53B C54B C12B 133.8(11) . 7_455 ? C55B C54B C12B 15.8(6) . 7_455 ? C39B C54B C12B 94.9(10) . 7_455 ? C30B C54B C11B 155.9(16) 7_455 7_455 ? C29B C54B C11B 60.1(9) 7_455 7_455 ? C13B C54B C11B 110.1(11) 7_455 7_455 ? C53B C54B C11B 157.6(12) . 7_455 ? C55B C54B C11B 67.3(9) . 7_455 ? C39B C54B C11B 44.3(8) . 7_455 ? C12B C54B C11B 51.5(7) 7_455 7_455 ? C12B C55B C13B 159(3) 7_455 7_455 ? C12B C55B C56B 129(3) 7_455 . ? C13B C55B C56B 69.0(12) 7_455 . ? C12B C55B C54B 103(3) 7_455 . ? C13B C55B C54B 55.8(10) 7_455 . ? C56B C55B C54B 120.3(12) . . ? C12B C55B C41B 15(2) 7_455 . ? C13B C55B C41B 156.4(16) 7_455 . ? C56B C55B C41B 118.3(12) . . ? C54B C55B C41B 105.9(11) . . ? C12B C55B C2B 57(2) 7_455 7_455 ? C13B C55B C2B 140.0(15) 7_455 7_455 ? C56B C55B C2B 72.3(10) . 7_455 ? C54B C55B C2B 147.3(13) . 7_455 ? C41B C55B C2B 48.1(8) . 7_455 ? C12B C55B C11B 43(2) 7_455 7_455 ? C13B C55B C11B 116.7(12) 7_455 7_455 ? C56B C55B C11B 154.3(13) . 7_455 ? C54B C55B C11B 61.0(8) . 7_455 ? C41B C55B C11B 46.5(8) . 7_455 ? C2B C55B C11B 94.4(10) 7_455 7_455 ? C12B C55B C14B 158(3) 7_455 7_455 ? C13B C55B C14B 36.7(9) 7_455 7_455 ? C56B C55B C14B 32.8(8) . 7_455 ? C54B C55B C14B 88.4(8) . 7_455 ? C41B C55B C14B 143.0(11) . 7_455 ? C2B C55B C14B 103.5(9) 7_455 7_455 ? C11B C55B C14B 142.9(9) 7_455 7_455 ? C14B C56B C15B 76.8(10) 7_455 7_455 ? C14B C56B C13B 64.5(10) 7_455 7_455 ? C15B C56B C13B 139.3(15) 7_455 7_455 ? C14B C56B C55B 106.0(13) 7_455 . ? C15B C56B C55B 161.2(16) 7_455 . ? C13B C56B C55B 42.0(8) 7_455 . ? C14B C56B C57B 122.9(14) 7_455 . ? C15B C56B C57B 47.6(10) 7_455 . ? C13B C56B C57B 156(2) 7_455 . ? C55B C56B C57B 122.4(15) . . ? C14B C56B C60B 17.0(7) 7_455 . ? C15B C56B C60B 60.2(10) 7_455 . ? C13B C56B C60B 80.1(11) 7_455 . ? C55B C56B C60B 120.4(13) . . ? C57B C56B C60B 105.9(13) . . ? C14B C56B C3B 135.4(13) 7_455 7_455 ? C15B C56B C3B 60.3(9) 7_455 7_455 ? C13B C56B C3B 149.5(14) 7_455 7_455 ? C55B C56B C3B 110.9(12) . 7_455 ? C57B C56B C3B 12.8(9) . 7_455 ? C60B C56B C3B 118.5(12) . 7_455 ? C14B C56B C12B 117.1(13) 7_455 7_455 ? C15B C56B C12B 153.9(14) 7_455 7_455 ? C13B C56B C12B 53.6(8) 7_455 7_455 ? C55B C56B C12B 11.8(6) . 7_455 ? C57B C56B C12B 110.8(13) . 7_455 ? C60B C56B C12B 130.4(12) . 7_455 ? C3B C56B C12B 99.1(10) 7_455 7_455 ? C14B C56B C2B 157.2(15) 7_455 7_455 ? C15B C56B C2B 112.0(12) 7_455 7_455 ? C13B C56B C2B 100.2(10) 7_455 7_455 ? C55B C56B C2B 58.8(8) . 7_455 ? C57B C56B C2B 64.8(10) . 7_455 ? C60B C56B C2B 155.5(14) . 7_455 ? C3B C56B C2B 52.5(7) 7_455 7_455 ? C12B C56B C2B 47.0(6) 7_455 7_455 ? C3B C57B C15B 141(5) 7_455 7_455 ? C3B C57B C43B 43(4) 7_455 . ? C15B C57B C43B 163(4) 7_455 . ? C3B C57B C56B 85(4) 7_455 . ? C15B C57B C56B 56.4(12) 7_455 . ? C43B C57B C56B 119.6(18) . . ? C3B C57B C58B 164(6) 7_455 . ? C15B C57B C58B 53.7(12) 7_455 . ? C43B C57B C58B 121.6(19) . . ? C56B C57B C58B 107.9(15) . . ? C3B C57B C4B 76(4) 7_455 7_455 ? C15B C57B C4B 140(2) 7_455 7_455 ? C43B C57B C4B 34.6(8) . 7_455 ? C56B C57B C4B 149(3) . 7_455 ? C58B C57B C4B 88.0(14) . 7_455 ? C3B C57B C2B 24(5) 7_455 7_455 ? C15B C57B C2B 121.8(18) 7_455 7_455 ? C43B C57B C2B 54.8(10) . 7_455 ? C56B C57B C2B 65.9(11) . 7_455 ? C58B C57B C2B 157(3) . 7_455 ? C4B C57B C2B 88.9(12) 7_455 7_455 ? C16B C58B C15B 85.7(15) 7_455 7_455 ? C16B C58B C17B 76.2(14) 7_455 7_455 ? C15B C58B C17B 153.9(17) 7_455 7_455 ? C16B C58B C46B 99.2(15) 7_455 . ? C15B C58B C46B 161.1(16) 7_455 . ? C17B C58B C46B 23.0(8) 7_455 . ? C16B C58B C59B 22.0(10) 7_455 . ? C15B C58B C59B 63.8(10) 7_455 . ? C17B C58B C59B 96.3(12) 7_455 . ? C46B C58B C59B 119.1(12) . . ? C16B C58B C57B 131.3(18) 7_455 . ? C15B C58B C57B 48.2(10) 7_455 . ? C17B C58B C57B 138.4(18) 7_455 . ? C46B C58B C57B 119.9(15) . . ? C59B C58B C57B 109.7(13) . . ? C16B C58B C3B 133.5(16) 7_455 7_455 ? C15B C58B C3B 51.0(8) 7_455 7_455 ? C17B C58B C3B 135.7(13) 7_455 7_455 ? C46B C58B C3B 117.1(12) . 7_455 ? C59B C58B C3B 111.9(10) . 7_455 ? C57B C58B C3B 2.9(10) . 7_455 ? C16B C58B C18B 126.4(16) 7_455 7_455 ? C15B C58B C18B 134.1(13) 7_455 7_455 ? C17B C58B C18B 52.7(8) 7_455 7_455 ? C46B C58B C18B 31.5(8) . 7_455 ? C59B C58B C18B 141.0(12) . 7_455 ? C57B C58B C18B 88.4(13) . 7_455 ? C3B C58B C18B 85.6(9) 7_455 7_455 ? C16B C59B C34B 118(2) 7_455 7_455 ? C16B C59B C49B 92.8(18) 7_455 . ? C34B C59B C49B 25.5(9) 7_455 . ? C16B C59B C15B 78.4(16) 7_455 7_455 ? C34B C59B C15B 153.8(14) 7_455 7_455 ? C49B C59B C15B 158.1(13) . 7_455 ? C16B C59B C60B 134.2(19) 7_455 . ? C34B C59B C60B 100.8(13) 7_455 . ? C49B C59B C60B 124.2(13) . . ? C15B C59B C60B 57.1(9) 7_455 . ? C16B C59B C58B 29.3(15) 7_455 . ? C34B C59B C58B 143.1(14) 7_455 . ? C49B C59B C58B 119.0(11) . . ? C15B C59B C58B 49.3(8) 7_455 . ? C60B C59B C58B 105.2(11) . . ? C16B C59B C33B 161.9(19) 7_455 7_455 ? C34B C59B C33B 60.0(10) 7_455 7_455 ? C49B C59B C33B 84.5(10) . 7_455 ? C15B C59B C33B 97.6(9) 7_455 7_455 ? C60B C59B C33B 41.0(8) . 7_455 ? C58B C59B C33B 142.0(11) . 7_455 ? C16B C59B C14B 127.7(18) 7_455 7_455 ? C34B C59B C14B 106.3(12) 7_455 7_455 ? C49B C59B C14B 128.9(11) . 7_455 ? C15B C59B C14B 50.9(6) 7_455 7_455 ? C60B C59B C14B 6.5(8) . 7_455 ? C58B C59B C14B 98.7(9) . 7_455 ? C33B C59B C14B 46.9(5) 7_455 7_455 ? C14B C60B C33B 122(3) 7_455 7_455 ? C14B C60B C15B 94(3) 7_455 7_455 ? C33B C60B C15B 140.2(14) 7_455 7_455 ? C14B C60B C52B 83(2) 7_455 . ? C33B C60B C52B 38.8(8) 7_455 . ? C15B C60B C52B 158.3(16) 7_455 . ? C14B C60B C59B 154(3) 7_455 . ? C33B C60B C59B 81.0(11) 7_455 . ? C15B C60B C59B 60.4(9) 7_455 . ? C52B C60B C59B 117.1(12) . . ? C14B C60B C56B 43(2) 7_455 . ? C33B C60B C56B 154.2(16) 7_455 . ? C15B C60B C56B 52.5(9) 7_455 . ? C52B C60B C56B 119.1(13) . . ? C59B C60B C56B 111.3(12) . . ? C14B C60B C13B 17(2) 7_455 7_455 ? C33B C60B C13B 110.6(12) 7_455 7_455 ? C15B C60B C13B 100.5(11) 7_455 7_455 ? C52B C60B C13B 72.0(9) . 7_455 ? C59B C60B C13B 151.0(13) . 7_455 ? C56B C60B C13B 48.4(8) . 7_455 ? C14B C60B C34B 164(3) 7_455 7_455 ? C33B C60B C34B 50.5(8) 7_455 7_455 ? C15B C60B C34B 90.1(9) 7_455 7_455 ? C52B C60B C34B 86.8(10) . 7_455 ? C59B C60B C34B 30.6(7) . 7_455 ? C56B C60B C34B 136.7(12) . 7_455 ? C13B C60B C34B 147.4(11) 7_455 7_455 ? C14B C60B C16B 139(3) 7_455 7_455 ? C33B C60B C16B 94.1(11) 7_455 7_455 ? C15B C60B C16B 46.5(7) 7_455 7_455 ? C52B C60B C16B 127.7(12) . 7_455 ? C59B C60B C16B 14.5(7) . 7_455 ? C56B C60B C16B 96.7(10) . 7_455 ? C13B C60B C16B 138.7(11) 7_455 7_455 ? C34B C60B C16B 43.7(5) 7_455 7_455 ? O1W O2W O3W 180.000(2) . . ? O4W O3W O2W 180.000(2) . . ? O5W O4W O3W 180.000(5) . . ? O4W O5W O6W 180.000(2) . . ? 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 O1 H1 O1 0.84 1.83 2.606(3) 153.2 4 _diffrn_measured_fraction_theta_max 0.995 _diffrn_reflns_theta_full 20.00 _diffrn_measured_fraction_theta_full 0.995 _refine_diff_density_max 1.048 _refine_diff_density_min -0.522 _refine_diff_density_rms 0.124 # Attachment 'XMCIF.txt' data_xm _database_code_depnum_ccdc_archive 'CCDC 290287' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety 'C56 H48 O4, C2 H12 B10' _chemical_formula_sum 'C58 H60 B10 O4' _chemical_formula_weight 929.16 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting Monoclinic _symmetry_space_group_name_H-M P2(1)/n loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' 'x-1/2, -y-1/2, z-1/2' _cell_length_a 21.2568(4) _cell_length_b 10.0977(3) _cell_length_c 26.6014(9) _cell_angle_alpha 90.0 _cell_angle_beta 113.269(1) _cell_angle_gamma 90.0 _cell_volume 5245.4(3) _cell_formula_units_Z 4 _cell_measurement_temperature 295(2) _cell_measurement_reflns_used ? _cell_measurement_theta_min ? _cell_measurement_theta_max ? _exptl_crystal_description ? _exptl_crystal_colour ? _exptl_crystal_size_max 0.35 _exptl_crystal_size_mid 0.12 _exptl_crystal_size_min 0.03 _exptl_crystal_density_meas 'not measured' _exptl_crystal_density_diffrn 1.177 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 1960 _exptl_absorpt_coefficient_mu 0.069 _exptl_absorpt_correction_type ? _exptl_absorpt_correction_T_min 0.9764 _exptl_absorpt_correction_T_max 0.9979 _exptl_absorpt_process_details ? _exptl_special_details ; ? ; _diffrn_ambient_temperature 295(2) _diffrn_radiation_wavelength 0.71070 _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 18437 _diffrn_reflns_av_R_equivalents 0.1864 _diffrn_reflns_av_sigmaI/netI 0.2928 _diffrn_reflns_limit_h_min -25 _diffrn_reflns_limit_h_max 25 _diffrn_reflns_limit_k_min -12 _diffrn_reflns_limit_k_max 12 _diffrn_reflns_limit_l_min -32 _diffrn_reflns_limit_l_max 32 _diffrn_reflns_theta_min 1.57 _diffrn_reflns_theta_max 25.68 _reflns_number_total 9891 _reflns_number_gt 2493 _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 _refine_ls_weighting_details 'calc w=1/[\s^2^(Fo^2^)+(0.0020P)^2^+0.0000P] 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 SHELXL _refine_ls_extinction_coef 0.0018(2) _refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^ _refine_ls_number_reflns 9891 _refine_ls_number_parameters 654 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.3208 _refine_ls_R_factor_gt 0.0787 _refine_ls_wR_factor_ref 0.1499 _refine_ls_wR_factor_gt 0.1080 _refine_ls_goodness_of_fit_ref 0.958 _refine_ls_restrained_S_all 0.958 _refine_ls_shift/su_max 0.001 _refine_ls_shift/su_mean 0.000 loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_symmetry_multiplicity _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group O1 O 0.13939(17) 0.8716(2) -0.10151(15) 0.0741(10) Uani 1 1 d . . . H1 H 0.1173 0.8061 -0.1168 0.111 Uiso 1 1 calc R . . C11 C 0.2083(3) 0.8521(5) -0.0915(3) 0.0602(15) Uani 1 1 d . . . C12 C 0.2556(3) 0.9202(4) -0.0478(3) 0.0634(15) Uani 1 1 d . . . C13 C 0.3242(3) 0.9077(4) -0.0399(2) 0.0703(16) Uani 1 1 d . . . H13 H 0.3574 0.9520 -0.0108 0.084 Uiso 1 1 calc R . . C14 C 0.3445(3) 0.8309(5) -0.0744(3) 0.0661(15) Uani 1 1 d . . . C15 C 0.2946(3) 0.7624(4) -0.1165(2) 0.0673(16) Uani 1 1 d . . . H15 H 0.3075 0.7087 -0.1392 0.081 Uiso 1 1 calc R . . C16 C 0.2261(3) 0.7719(4) -0.1256(2) 0.0605(15) Uani 1 1 d . . . C50 C 0.4197(3) 0.8289(4) -0.0670(2) 0.0886(17) Uani 1 1 d . . . H50A H 0.4488 0.8490 -0.0293 0.106 Uiso 1 1 calc R . . H50B H 0.4315 0.7411 -0.0753 0.106 Uiso 1 1 calc R . . C51 C 0.4323(2) 0.9304(6) -0.1048(3) 0.0756(17) Uani 1 1 d . . . C52 C 0.4431(3) 1.0612(7) -0.0893(3) 0.107(2) Uani 1 1 d . . . H52 H 0.4445 1.0877 -0.0554 0.129 Uiso 1 1 calc R . . C53 C 0.4519(4) 1.1529(8) -0.1244(4) 0.149(4) Uani 1 1 d . . . H53 H 0.4613 1.2404 -0.1130 0.178 Uiso 1 1 calc R . . C54 C 0.4473(5) 1.1190(11) -0.1754(5) 0.162(5) Uani 1 1 d . . . H54 H 0.4516 1.1824 -0.1992 0.195 Uiso 1 1 calc R . . C55 C 0.4363(3) 0.9894(10) -0.1902(4) 0.140(3) Uani 1 1 d . . . H55 H 0.4338 0.9638 -0.2245 0.167 Uiso 1 1 calc R . . C56 C 0.4288(3) 0.8961(6) -0.1558(4) 0.107(2) Uani 1 1 d . . . H56 H 0.4212 0.8083 -0.1671 0.128 Uiso 1 1 calc R . . C1 C 0.2363(2) 1.0055(4) -0.0098(2) 0.0682(15) Uani 1 1 d . . . H1A H 0.1918 1.0448 -0.0301 0.082 Uiso 1 1 calc R . . H1B H 0.2692 1.0771 0.0036 0.082 Uiso 1 1 calc R . . O2 O 0.11439(18) 0.8745(3) -0.01179(16) 0.0755(11) Uani 1 1 d . . . H2 H 0.1241 0.8960 -0.0376 0.113 Uiso 1 1 calc R . . C21 C 0.1736(3) 0.8630(5) 0.0349(3) 0.0662(16) Uani 1 1 d . . . C22 C 0.1711(3) 0.7873(5) 0.0781(3) 0.0691(16) Uani 1 1 d . . . C23 C 0.2282(4) 0.7865(4) 0.1265(3) 0.0773(17) Uani 1 1 d . . . H23 H 0.2272 0.7377 0.1559 0.093 Uiso 1 1 calc R . . C24 C 0.2879(3) 0.8570(5) 0.1330(3) 0.0746(17) Uani 1 1 d . . . C25 C 0.2884(3) 0.9267(4) 0.0880(3) 0.0724(17) Uani 1 1 d . . . H25 H 0.3279 0.9724 0.0916 0.087 Uiso 1 1 calc R . . C26 C 0.2336(3) 0.9309(4) 0.0389(3) 0.0651(16) Uani 1 1 d . . . C60 C 0.3478(3) 0.8609(5) 0.1880(3) 0.0939(18) Uani 1 1 d . . . H60A H 0.3897 0.8436 0.1828 0.113 Uiso 1 1 calc R . . H60B H 0.3423 0.7911 0.2110 0.113 Uiso 1 1 calc R . . C61 C 0.3544(4) 0.9930(6) 0.2171(2) 0.0802(17) Uani 1 1 d . . . C62 C 0.3000(3) 1.0507(7) 0.2211(3) 0.116(2) Uani 1 1 d . . . H62 H 0.2576 1.0086 0.2070 0.139 Uiso 1 1 calc R . . C63 C 0.3065(4) 1.1726(9) 0.2461(3) 0.146(3) Uani 1 1 d . . . H63 H 0.2675 1.2133 0.2466 0.176 Uiso 1 1 calc R . . C64 C 0.3670(6) 1.2346(8) 0.2696(3) 0.146(4) Uani 1 1 d . . . H64 H 0.3704 1.3157 0.2871 0.175 Uiso 1 1 calc R . . C65 C 0.4217(4) 1.1767(9) 0.2672(3) 0.140(3) Uani 1 1 d . . . H65 H 0.4642 1.2182 0.2825 0.168 Uiso 1 1 calc R . . C66 C 0.4159(4) 1.0561(8) 0.2423(3) 0.121(2) Uani 1 1 d . . . H66 H 0.4552 1.0155 0.2424 0.145 Uiso 1 1 calc R . . C2 C 0.1073(2) 0.7104(4) 0.07283(19) 0.0746(16) Uani 1 1 d . . . H2A H 0.0672 0.7596 0.0494 0.090 Uiso 1 1 calc R . . H2B H 0.1056 0.7034 0.1087 0.090 Uiso 1 1 calc R . . O3 O 0.04397(16) 0.6504(3) -0.04252(14) 0.0746(10) Uani 1 1 d . . . H3 H 0.0630 0.7201 -0.0292 0.112 Uiso 1 1 calc R . . C31 C 0.0746(3) 0.5472(5) -0.0072(3) 0.0630(16) Uani 1 1 d . . . C32 C 0.0727(3) 0.4234(5) -0.0288(3) 0.0612(16) Uani 1 1 d . . . C33 C 0.1016(3) 0.3202(5) 0.0065(3) 0.0684(16) Uani 1 1 d . . . H33 H 0.1018 0.2362 -0.0078 0.082 Uiso 1 1 calc R . . C34 C 0.1307(3) 0.3373(5) 0.0634(3) 0.0640(16) Uani 1 1 d . . . C35 C 0.1316(2) 0.4642(5) 0.0828(2) 0.0676(15) Uani 1 1 d . . . H35 H 0.1516 0.4781 0.1204 0.081 Uiso 1 1 calc R . . C36 C 0.1043(3) 0.5714(5) 0.0493(3) 0.0649(16) Uani 1 1 d . . . C70 C 0.1602(2) 0.2226(4) 0.1014(2) 0.0779(16) Uani 1 1 d . . . H70A H 0.1987 0.2538 0.1333 0.094 Uiso 1 1 calc R . . H70B H 0.1773 0.1576 0.0831 0.094 Uiso 1 1 calc R . . C71 C 0.1092(3) 0.1556(5) 0.1203(3) 0.0680(16) Uani 1 1 d . . . C72 C 0.0660(3) 0.0588(5) 0.0902(2) 0.0871(19) Uani 1 1 d . . . H72 H 0.0672 0.0328 0.0571 0.104 Uiso 1 1 calc R . . C73 C 0.0207(3) -0.0008(5) 0.1081(3) 0.097(2) Uani 1 1 d . . . H73 H -0.0081 -0.0666 0.0868 0.117 Uiso 1 1 calc R . . C74 C 0.0169(3) 0.0338(6) 0.1564(4) 0.104(2) Uani 1 1 d . . . H74 H -0.0133 -0.0089 0.1685 0.124 Uiso 1 1 calc R . . C75 C 0.0584(4) 0.1322(7) 0.1865(3) 0.111(2) Uani 1 1 d . . . H75 H 0.0560 0.1597 0.2191 0.134 Uiso 1 1 calc R . . C76 C 0.1044(3) 0.1916(5) 0.1680(3) 0.0975(19) Uani 1 1 d . . . H76 H 0.1330 0.2582 0.1890 0.117 Uiso 1 1 calc R . . C3 C 0.0439(2) 0.3994(3) -0.0900(2) 0.0703(16) Uani 1 1 d . . . H3A H 0.0057 0.4592 -0.1075 0.084 Uiso 1 1 calc R . . H3B H 0.0264 0.3096 -0.0972 0.084 Uiso 1 1 calc R . . O4 O 0.06562(17) 0.6481(3) -0.13592(14) 0.0759(10) Uani 1 1 d . . . H4 H 0.0522 0.6421 -0.1110 0.114 Uiso 1 1 calc R . . C41 C 0.1065(3) 0.5413(4) -0.13424(19) 0.0559(14) Uani 1 1 d . . . C42 C 0.1581(3) 0.5596(4) -0.15384(19) 0.0575(14) Uani 1 1 d . . . C43 C 0.1978(2) 0.4528(5) -0.15444(18) 0.0610(14) Uani 1 1 d . . . H43 H 0.2326 0.4650 -0.1670 0.073 Uiso 1 1 calc R . . C44 C 0.1884(3) 0.3281(4) -0.13725(19) 0.0618(14) Uani 1 1 d . . . C45 C 0.1362(3) 0.3147(4) -0.11754(18) 0.0643(15) Uani 1 1 d . . . H45 H 0.1285 0.2322 -0.1055 0.077 Uiso 1 1 calc R . . C46 C 0.0966(2) 0.4193(5) -0.11572(19) 0.0582(14) Uani 1 1 d . . . C80 C 0.2313(2) 0.2119(4) -0.1395(2) 0.0709(15) Uani 1 1 d . . . H80A H 0.2759 0.2449 -0.1353 0.085 Uiso 1 1 calc R . . H80B H 0.2380 0.1558 -0.1081 0.085 Uiso 1 1 calc R . . C81 C 0.2044(4) 0.1275(5) -0.1896(3) 0.0654(16) Uani 1 1 d . . . C82 C 0.2471(3) 0.0429(5) -0.2013(2) 0.0793(17) Uani 1 1 d . . . H82 H 0.2936 0.0440 -0.1792 0.095 Uiso 1 1 calc R . . C83 C 0.2237(5) -0.0426(6) -0.2442(4) 0.104(2) Uani 1 1 d . . . H83 H 0.2540 -0.1010 -0.2501 0.124 Uiso 1 1 calc R . . C84 C 0.1572(5) -0.0433(6) -0.2783(3) 0.110(3) Uani 1 1 d . . . H84 H 0.1415 -0.1007 -0.3081 0.133 Uiso 1 1 calc R . . C85 C 0.1129(3) 0.0405(7) -0.2690(3) 0.122(2) Uani 1 1 d . . . H85 H 0.0668 0.0413 -0.2923 0.147 Uiso 1 1 calc R . . C86 C 0.1375(4) 0.1248(5) -0.2243(3) 0.100(2) Uani 1 1 d . . . H86 H 0.1070 0.1814 -0.2178 0.119 Uiso 1 1 calc R . . C4 C 0.1730(2) 0.6938(4) -0.17220(19) 0.0676(15) Uani 1 1 d . . . H4A H 0.1309 0.7445 -0.1872 0.081 Uiso 1 1 calc R . . H4B H 0.1896 0.6815 -0.2010 0.081 Uiso 1 1 calc R . . C1E C 0.2863(3) 0.4613(6) 0.0460(4) 0.128(2) Uani 1 1 d . . . H1E H 0.2306 0.4654 0.0346 0.154 Uiso 1 1 calc R . . C2E C 0.3326(4) 0.5906(5) 0.0660(4) 0.118(2) Uani 1 1 d . . . H2E H 0.3086 0.6856 0.0683 0.141 Uiso 1 1 calc R . . B3E B 0.3370(5) 0.4729(7) 0.1120(4) 0.116(3) Uani 1 1 d . . . H3E H 0.3187 0.4835 0.1451 0.139 Uiso 1 1 calc R . . B4E B 0.3273(4) 0.3261(5) 0.0767(3) 0.097(2) Uani 1 1 d . . . H4E H 0.3017 0.2396 0.0853 0.117 Uiso 1 1 calc R . . B5E B 0.3189(4) 0.3631(6) 0.0099(3) 0.114(3) Uani 1 1 d . . . H5E H 0.2887 0.3006 -0.0253 0.137 Uiso 1 1 calc R . . B6E B 0.3207(4) 0.5323(7) 0.0054(3) 0.089(2) Uani 1 1 d . . . H6E H 0.2899 0.5839 -0.0329 0.106 Uiso 1 1 calc R . . B7E B 0.3996(4) 0.5899(7) 0.0469(4) 0.118(3) Uani 1 1 d . . . H7E H 0.4227 0.6778 0.0367 0.142 Uiso 1 1 calc R . . B8E B 0.4103(4) 0.5565(6) 0.1134(4) 0.112(3) Uani 1 1 d . . . H8E H 0.4400 0.6236 0.1469 0.135 Uiso 1 1 calc R . . B9E B 0.4092(4) 0.3852(6) 0.1205(3) 0.103(2) Uani 1 1 d . . . H9E H 0.4396 0.3362 0.1596 0.124 Uiso 1 1 calc R . . B10E B 0.3983(4) 0.3119(6) 0.0596(3) 0.101(2) Uani 1 1 d . . . H10E H 0.4211 0.2148 0.0583 0.121 Uiso 1 1 calc R . . B11E B 0.3916(5) 0.4435(8) 0.0116(4) 0.135(3) Uani 1 1 d . . . H11E H 0.4094 0.4331 -0.0218 0.163 Uiso 1 1 calc R . . B12E B 0.4476(4) 0.4571(6) 0.0816(4) 0.100(2) Uani 1 1 d . . . H12E H 0.5036 0.4555 0.0946 0.120 Uiso 1 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 O1 0.066(3) 0.072(2) 0.085(3) 0.0049(19) 0.031(3) -0.0003(18) C11 0.048(4) 0.056(3) 0.075(5) 0.007(3) 0.024(4) 0.001(3) C12 0.072(5) 0.048(3) 0.077(5) 0.005(3) 0.036(4) 0.001(3) C13 0.070(5) 0.067(3) 0.068(5) 0.006(3) 0.020(4) -0.005(3) C14 0.061(5) 0.064(3) 0.074(5) 0.016(3) 0.028(4) 0.002(3) C15 0.075(5) 0.065(3) 0.066(5) 0.005(3) 0.033(4) 0.000(3) C16 0.070(5) 0.055(3) 0.069(5) 0.011(3) 0.041(4) 0.002(3) C50 0.057(5) 0.099(4) 0.102(5) 0.011(3) 0.024(4) 0.004(3) C51 0.040(4) 0.087(5) 0.096(6) 0.013(4) 0.023(4) 0.000(3) C52 0.085(5) 0.102(5) 0.108(6) -0.011(5) 0.009(4) -0.030(4) C53 0.105(6) 0.128(6) 0.173(10) 0.050(8) 0.013(7) -0.046(4) C54 0.090(6) 0.214(10) 0.175(11) 0.107(11) 0.042(8) -0.007(7) C55 0.095(6) 0.218(8) 0.124(8) 0.056(8) 0.063(6) 0.010(6) C56 0.086(5) 0.132(6) 0.115(7) -0.001(5) 0.055(5) 0.004(4) C1 0.074(4) 0.057(3) 0.077(5) 0.005(3) 0.034(4) -0.004(3) O2 0.084(3) 0.081(2) 0.072(3) 0.005(2) 0.041(3) 0.004(2) C21 0.077(6) 0.054(3) 0.064(5) -0.004(3) 0.023(4) 0.008(3) C22 0.078(6) 0.062(3) 0.074(5) -0.007(4) 0.037(5) 0.002(3) C23 0.091(6) 0.072(4) 0.076(6) 0.001(4) 0.040(5) 0.007(4) C24 0.073(5) 0.065(4) 0.080(6) -0.003(4) 0.023(5) 0.012(4) C25 0.082(5) 0.060(3) 0.077(6) -0.005(4) 0.034(5) -0.002(3) C26 0.064(5) 0.050(3) 0.080(6) -0.010(3) 0.027(4) -0.007(3) C60 0.083(5) 0.103(4) 0.094(6) 0.005(4) 0.033(5) 0.009(4) C61 0.074(5) 0.097(5) 0.064(5) -0.008(4) 0.022(4) -0.004(4) C62 0.081(6) 0.156(6) 0.112(6) -0.071(5) 0.038(5) -0.014(5) C63 0.103(7) 0.208(9) 0.098(7) -0.068(6) 0.006(6) 0.026(6) C64 0.193(12) 0.132(6) 0.084(7) -0.023(5) 0.025(8) 0.014(8) C65 0.136(9) 0.142(7) 0.141(8) -0.060(6) 0.055(7) -0.064(6) C66 0.088(7) 0.156(7) 0.124(7) -0.029(5) 0.047(5) -0.020(5) C2 0.087(5) 0.075(3) 0.080(5) -0.008(3) 0.052(4) -0.006(3) O3 0.070(3) 0.074(2) 0.088(3) -0.003(2) 0.041(2) -0.0044(19) C31 0.054(4) 0.062(4) 0.086(6) 0.014(4) 0.043(4) 0.001(3) C32 0.064(4) 0.059(4) 0.076(5) -0.006(4) 0.044(4) -0.013(3) C33 0.071(4) 0.066(4) 0.088(6) -0.005(4) 0.053(4) -0.011(3) C34 0.061(4) 0.059(4) 0.082(5) 0.008(4) 0.040(4) 0.001(3) C35 0.072(4) 0.079(4) 0.068(5) -0.009(4) 0.045(4) -0.010(3) C36 0.065(4) 0.064(4) 0.080(5) 0.000(4) 0.044(4) -0.004(3) C70 0.074(4) 0.089(4) 0.083(5) -0.001(3) 0.045(4) 0.001(3) C71 0.070(5) 0.070(4) 0.072(5) 0.011(3) 0.037(4) 0.011(3) C72 0.112(6) 0.062(4) 0.095(5) -0.013(4) 0.049(5) -0.013(3) C73 0.097(6) 0.059(4) 0.131(7) 0.017(4) 0.041(5) -0.007(3) C74 0.074(5) 0.102(5) 0.134(8) 0.049(5) 0.041(6) 0.006(4) C75 0.103(6) 0.163(6) 0.087(6) 0.011(5) 0.057(5) -0.009(5) C76 0.086(5) 0.122(4) 0.086(6) -0.010(4) 0.036(5) -0.024(4) C3 0.072(4) 0.057(3) 0.081(5) -0.005(3) 0.030(4) -0.014(2) O4 0.074(3) 0.076(2) 0.086(3) 0.0016(19) 0.040(2) 0.0098(18) C41 0.054(4) 0.056(3) 0.059(4) -0.005(3) 0.025(3) 0.000(3) C42 0.067(4) 0.050(3) 0.054(4) -0.002(3) 0.022(3) -0.002(3) C43 0.063(4) 0.069(3) 0.058(4) -0.004(3) 0.032(3) -0.007(3) C44 0.069(4) 0.061(3) 0.053(4) -0.005(3) 0.022(3) 0.001(3) C45 0.075(4) 0.062(3) 0.060(4) 0.000(3) 0.030(4) -0.005(3) C46 0.060(4) 0.061(3) 0.064(4) -0.005(3) 0.035(3) -0.007(3) C80 0.064(4) 0.077(3) 0.068(5) -0.003(3) 0.023(3) 0.007(3) C81 0.066(5) 0.071(4) 0.056(5) 0.002(3) 0.020(4) 0.007(4) C82 0.090(5) 0.089(4) 0.067(5) -0.003(3) 0.040(4) 0.015(4) C83 0.141(8) 0.094(5) 0.095(7) 0.003(5) 0.068(6) 0.022(5) C84 0.168(9) 0.092(5) 0.075(6) -0.022(4) 0.051(6) -0.013(6) C85 0.097(6) 0.150(6) 0.098(7) -0.038(5) 0.014(5) 0.002(5) C86 0.106(7) 0.102(4) 0.084(6) -0.024(4) 0.029(5) 0.010(4) C4 0.071(4) 0.072(3) 0.064(4) -0.001(3) 0.031(4) -0.008(3) C1E 0.073(5) 0.135(6) 0.172(9) -0.009(6) 0.044(6) -0.013(5) C2E 0.113(7) 0.071(4) 0.169(9) -0.005(5) 0.056(7) 0.010(4) B3E 0.118(8) 0.130(7) 0.108(9) -0.012(6) 0.055(7) -0.011(6) B4E 0.093(7) 0.060(4) 0.139(8) -0.008(5) 0.045(6) -0.003(4) B5E 0.155(9) 0.093(5) 0.084(7) -0.021(5) 0.036(7) -0.016(5) B6E 0.096(7) 0.113(6) 0.048(6) 0.038(5) 0.020(5) 0.024(5) B7E 0.100(8) 0.100(6) 0.133(9) 0.043(6) 0.022(7) -0.024(5) B8E 0.088(7) 0.093(5) 0.136(9) -0.025(5) 0.023(7) -0.016(5) B9E 0.093(7) 0.099(5) 0.101(8) 0.016(5) 0.020(6) 0.003(5) B10E 0.096(7) 0.088(5) 0.119(8) -0.008(5) 0.042(6) 0.022(5) B11E 0.180(10) 0.136(7) 0.130(10) -0.029(7) 0.103(9) -0.042(7) B12E 0.068(6) 0.122(6) 0.117(8) 0.018(6) 0.044(6) 0.007(5) _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 O1 C11 1.396(5) . ? C11 C16 1.373(5) . ? C11 C12 1.383(6) . ? C12 C13 1.395(6) . ? C12 C1 1.505(5) . ? C13 C14 1.393(5) . ? C14 C15 1.386(6) . ? C14 C50 1.533(6) . ? C15 C16 1.382(5) . ? C16 C4 1.526(6) . ? C50 C51 1.530(6) . ? C51 C56 1.375(7) . ? C51 C52 1.376(6) . ? C52 C53 1.380(8) . ? C53 C54 1.364(10) . ? C54 C55 1.360(9) . ? C55 C56 1.366(7) . ? C1 C26 1.519(6) . ? O2 C21 1.380(5) . ? C21 C22 1.398(6) . ? C21 C26 1.415(6) . ? C22 C23 1.377(6) . ? C22 C2 1.522(6) . ? C23 C24 1.405(6) . ? C24 C25 1.392(6) . ? C24 C60 1.514(7) . ? C25 C26 1.364(6) . ? C60 C61 1.520(6) . ? C61 C62 1.336(6) . ? C61 C66 1.369(7) . ? C62 C63 1.379(7) . ? C63 C64 1.343(8) . ? C64 C65 1.326(8) . ? C65 C66 1.369(7) . ? C2 C36 1.529(5) . ? O3 C31 1.381(5) . ? C31 C32 1.370(6) . ? C31 C36 1.403(6) . ? C32 C33 1.376(6) . ? C32 C3 1.515(6) . ? C33 C34 1.399(6) . ? C34 C35 1.379(5) . ? C34 C70 1.503(5) . ? C35 C36 1.375(6) . ? C70 C71 1.521(5) . ? C71 C76 1.363(6) . ? C71 C72 1.363(6) . ? C72 C73 1.369(6) . ? C73 C74 1.364(7) . ? C74 C75 1.359(7) . ? C75 C76 1.392(6) . ? C3 C46 1.540(5) . ? O4 C41 1.375(4) . ? C41 C46 1.373(5) . ? C41 C42 1.400(5) . ? C42 C43 1.374(5) . ? C42 C4 1.516(4) . ? C43 C44 1.381(4) . ? C44 C45 1.409(5) . ? C44 C80 1.501(5) . ? C45 C46 1.364(5) . ? C80 C81 1.494(6) . ? C81 C86 1.356(7) . ? C81 C82 1.368(6) . ? C82 C83 1.359(7) . ? C83 C84 1.346(7) . ? C84 C85 1.359(7) . ? C85 C86 1.385(7) . ? C1E C2E 1.595(7) . ? C1E B4E 1.651(8) . ? C1E B3E 1.661(10) . ? C1E B6E 1.685(9) . ? C1E B5E 1.708(9) . ? C2E B6E 1.638(9) . ? C2E B8E 1.669(9) . ? C2E B3E 1.681(9) . ? C2E B7E 1.689(9) . ? B3E B9E 1.707(9) . ? B3E B4E 1.722(9) . ? B3E B8E 1.758(10) . ? B4E B10E 1.747(8) . ? B4E B5E 1.755(9) . ? B4E B9E 1.773(9) . ? B5E B6E 1.715(9) . ? B5E B11E 1.729(10) . ? B5E B10E 1.761(10) . ? B6E B11E 1.705(10) . ? B6E B7E 1.706(10) . ? B7E B12E 1.716(9) . ? B7E B8E 1.723(11) . ? B7E B11E 1.723(9) . ? B8E B12E 1.697(9) . ? B8E B9E 1.741(8) . ? B9E B10E 1.713(9) . ? B9E B12E 1.714(8) . ? B10E B12E 1.763(9) . ? B10E B11E 1.808(10) . ? B11E B12E 1.775(10) . ? 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 C16 C11 C12 123.4(5) . . ? C16 C11 O1 119.9(6) . . ? C12 C11 O1 116.7(5) . . ? C11 C12 C13 116.8(5) . . ? C11 C12 C1 123.4(6) . . ? C13 C12 C1 119.8(6) . . ? C14 C13 C12 121.8(5) . . ? C15 C14 C13 118.3(5) . . ? C15 C14 C50 121.5(5) . . ? C13 C14 C50 120.1(6) . . ? C16 C15 C14 121.5(5) . . ? C11 C16 C15 118.1(5) . . ? C11 C16 C4 122.3(5) . . ? C15 C16 C4 119.6(5) . . ? C51 C50 C14 110.6(4) . . ? C56 C51 C52 118.3(6) . . ? C56 C51 C50 121.6(6) . . ? C52 C51 C50 119.9(7) . . ? C51 C52 C53 119.5(7) . . ? C54 C53 C52 122.0(10) . . ? C55 C54 C53 117.8(11) . . ? C54 C55 C56 121.5(10) . . ? C55 C56 C51 120.9(7) . . ? C12 C1 C26 113.7(3) . . ? O2 C21 C22 117.9(6) . . ? O2 C21 C26 120.2(6) . . ? C22 C21 C26 121.8(6) . . ? C23 C22 C21 117.9(6) . . ? C23 C22 C2 120.4(6) . . ? C21 C22 C2 121.7(6) . . ? C22 C23 C24 122.0(6) . . ? C25 C24 C23 117.7(6) . . ? C25 C24 C60 121.9(6) . . ? C23 C24 C60 120.4(6) . . ? C26 C25 C24 123.1(6) . . ? C25 C26 C21 117.4(6) . . ? C25 C26 C1 121.8(5) . . ? C21 C26 C1 120.8(6) . . ? C24 C60 C61 112.8(5) . . ? C62 C61 C66 116.6(6) . . ? C62 C61 C60 121.0(7) . . ? C66 C61 C60 122.4(7) . . ? C61 C62 C63 120.1(6) . . ? C64 C63 C62 122.5(8) . . ? C65 C64 C63 118.0(10) . . ? C64 C65 C66 120.2(9) . . ? C61 C66 C65 122.5(7) . . ? C22 C2 C36 113.4(3) . . ? C32 C31 O3 118.3(6) . . ? C32 C31 C36 122.3(5) . . ? O3 C31 C36 119.3(5) . . ? C31 C32 C33 118.3(6) . . ? C31 C32 C3 121.9(6) . . ? C33 C32 C3 119.7(5) . . ? C32 C33 C34 122.1(5) . . ? C35 C34 C33 117.0(5) . . ? C35 C34 C70 121.6(6) . . ? C33 C34 C70 121.4(5) . . ? C36 C35 C34 123.3(5) . . ? C35 C36 C31 116.9(5) . . ? C35 C36 C2 121.3(6) . . ? C31 C36 C2 121.8(5) . . ? C34 C70 C71 113.8(4) . . ? C76 C71 C72 117.2(5) . . ? C76 C71 C70 120.9(6) . . ? C72 C71 C70 121.9(6) . . ? C71 C72 C73 121.0(5) . . ? C74 C73 C72 121.8(7) . . ? C75 C74 C73 118.4(7) . . ? C74 C75 C76 119.4(6) . . ? C71 C76 C75 122.3(6) . . ? C32 C3 C46 113.6(4) . . ? C46 C41 O4 122.0(5) . . ? C46 C41 C42 120.4(4) . . ? O4 C41 C42 117.6(4) . . ? C43 C42 C41 118.4(4) . . ? C43 C42 C4 119.4(5) . . ? C41 C42 C4 122.2(4) . . ? C42 C43 C44 122.8(4) . . ? C43 C44 C45 116.7(4) . . ? C43 C44 C80 122.0(5) . . ? C45 C44 C80 121.3(4) . . ? C46 C45 C44 121.8(4) . . ? C45 C46 C41 119.8(4) . . ? C45 C46 C3 118.8(4) . . ? C41 C46 C3 121.2(4) . . ? C81 C80 C44 117.2(4) . . ? C86 C81 C82 116.4(6) . . ? C86 C81 C80 123.1(6) . . ? C82 C81 C80 120.4(6) . . ? C83 C82 C81 122.2(6) . . ? C84 C83 C82 120.5(7) . . ? C83 C84 C85 119.6(8) . . ? C84 C85 C86 119.0(7) . . ? C81 C86 C85 122.3(6) . . ? C42 C4 C16 112.4(4) . . ? C2E C1E B4E 112.1(6) . . ? C2E C1E B3E 62.1(4) . . ? B4E C1E B3E 62.7(5) . . ? C2E C1E B6E 59.8(4) . . ? B4E C1E B6E 113.0(5) . . ? B3E C1E B6E 112.4(5) . . ? C2E C1E B5E 109.1(5) . . ? B4E C1E B5E 63.0(4) . . ? B3E C1E B5E 113.4(6) . . ? B6E C1E B5E 60.7(4) . . ? C1E C2E B6E 62.8(4) . . ? C1E C2E B8E 112.2(5) . . ? B6E C2E B8E 113.0(5) . . ? C1E C2E B3E 60.9(4) . . ? B6E C2E B3E 113.8(5) . . ? B8E C2E B3E 63.3(5) . . ? C1E C2E B7E 112.3(5) . . ? B6E C2E B7E 61.7(5) . . ? B8E C2E B7E 61.7(4) . . ? B3E C2E B7E 113.8(5) . . ? C1E B3E C2E 57.0(4) . . ? C1E B3E B9E 106.2(5) . . ? C2E B3E B9E 104.7(5) . . ? C1E B3E B4E 58.4(4) . . ? C2E B3E B4E 104.6(6) . . ? B9E B3E B4E 62.3(4) . . ? C1E B3E B8E 104.9(6) . . ? C2E B3E B8E 58.0(4) . . ? B9E B3E B8E 60.3(4) . . ? B4E B3E B8E 109.9(5) . . ? C1E B4E B3E 59.0(4) . . ? C1E B4E B10E 106.3(5) . . ? B3E B4E B10E 106.4(5) . . ? C1E B4E B5E 60.1(4) . . ? B3E B4E B5E 108.1(5) . . ? B10E B4E B5E 60.4(4) . . ? C1E B4E B9E 103.7(4) . . ? B3E B4E B9E 58.4(4) . . ? B10E B4E B9E 58.2(4) . . ? B5E B4E B9E 105.9(5) . . ? C1E B5E B6E 59.0(4) . . ? C1E B5E B11E 105.6(5) . . ? B6E B5E B11E 59.3(4) . . ? C1E B5E B4E 56.9(4) . . ? B6E B5E B4E 106.6(5) . . ? B11E B5E B4E 109.9(6) . . ? C1E B5E B10E 103.3(6) . . ? B6E B5E B10E 107.7(5) . . ? B11E B5E B10E 62.4(5) . . ? B4E B5E B10E 59.6(4) . . ? C2E B6E C1E 57.3(4) . . ? C2E B6E B11E 107.8(5) . . ? C1E B6E B11E 107.7(5) . . ? C2E B6E B7E 60.6(4) . . ? C1E B6E B7E 107.1(5) . . ? B11E B6E B7E 60.7(4) . . ? C2E B6E B5E 106.8(5) . . ? C1E B6E B5E 60.3(4) . . ? B11E B6E B5E 60.7(4) . . ? B7E B6E B5E 109.7(5) . . ? C2E B7E B6E 57.7(4) . . ? C2E B7E B12E 103.6(5) . . ? B6E B7E B12E 107.8(5) . . ? C2E B7E B8E 58.6(4) . . ? B6E B7E B8E 107.1(5) . . ? B12E B7E B8E 59.2(4) . . ? C2E B7E B11E 104.7(5) . . ? B6E B7E B11E 59.6(5) . . ? B12E B7E B11E 62.1(4) . . ? B8E B7E B11E 109.6(5) . . ? C2E B8E B12E 105.3(6) . . ? C2E B8E B7E 59.7(5) . . ? B12E B8E B7E 60.2(5) . . ? C2E B8E B9E 103.6(5) . . ? B12E B8E B9E 59.8(4) . . ? B7E B8E B9E 107.7(5) . . ? C2E B8E B3E 58.7(4) . . ? B12E B8E B3E 106.9(5) . . ? B7E B8E B3E 108.4(6) . . ? B9E B8E B3E 58.4(4) . . ? B3E B9E B10E 108.6(6) . . ? B3E B9E B12E 108.5(5) . . ? B10E B9E B12E 61.9(4) . . ? B3E B9E B8E 61.3(4) . . ? B10E B9E B8E 109.2(5) . . ? B12E B9E B8E 58.8(4) . . ? B3E B9E B4E 59.3(4) . . ? B10E B9E B4E 60.1(4) . . ? B12E B9E B4E 108.9(6) . . ? B8E B9E B4E 108.3(5) . . ? B9E B10E B4E 61.6(4) . . ? B9E B10E B5E 108.3(5) . . ? B4E B10E B5E 60.0(4) . . ? B9E B10E B12E 59.1(4) . . ? B4E B10E B12E 107.8(4) . . ? B5E B10E B12E 105.8(5) . . ? B9E B10E B11E 107.1(5) . . ? B4E B10E B11E 106.7(5) . . ? B5E B10E B11E 57.9(4) . . ? B12E B10E B11E 59.6(4) . . ? B6E B11E B7E 59.7(4) . . ? B6E B11E B5E 59.9(5) . . ? B7E B11E B5E 108.2(6) . . ? B6E B11E B12E 105.2(5) . . ? B7E B11E B12E 58.7(4) . . ? B5E B11E B12E 106.7(5) . . ? B6E B11E B10E 106.0(5) . . ? B7E B11E B10E 106.4(6) . . ? B5E B11E B10E 59.7(4) . . ? B12E B11E B10E 59.0(4) . . ? B8E B12E B9E 61.4(4) . . ? B8E B12E B7E 60.6(4) . . ? B9E B12E B7E 109.3(5) . . ? B8E B12E B10E 108.9(5) . . ? B9E B12E B10E 59.0(4) . . ? B7E B12E B10E 108.8(6) . . ? B8E B12E B11E 108.4(6) . . ? B9E B12E B11E 108.5(5) . . ? B7E B12E B11E 59.1(4) . . ? B10E B12E B11E 61.5(4) . . ? loop_ _geom_torsion_atom_site_label_1 _geom_torsion_atom_site_label_2 _geom_torsion_atom_site_label_3 _geom_torsion_atom_site_label_4 _geom_torsion _geom_torsion_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion_publ_flag C16 C11 C12 C13 1.9(7) . . . . ? O1 C11 C12 C13 -175.9(3) . . . . ? C16 C11 C12 C1 -178.6(4) . . . . ? O1 C11 C12 C1 3.6(7) . . . . ? C11 C12 C13 C14 0.2(6) . . . . ? C1 C12 C13 C14 -179.4(4) . . . . ? C12 C13 C14 C15 -1.9(7) . . . . ? C12 C13 C14 C50 175.0(4) . . . . ? C13 C14 C15 C16 1.7(7) . . . . ? C50 C14 C15 C16 -175.2(4) . . . . ? C12 C11 C16 C15 -2.1(7) . . . . ? O1 C11 C16 C15 175.7(4) . . . . ? C12 C11 C16 C4 177.6(4) . . . . ? O1 C11 C16 C4 -4.6(6) . . . . ? C14 C15 C16 C11 0.2(6) . . . . ? C14 C15 C16 C4 -179.5(4) . . . . ? C15 C14 C50 C51 82.5(6) . . . . ? C13 C14 C50 C51 -94.4(6) . . . . ? C14 C50 C51 C56 -93.3(6) . . . . ? C14 C50 C51 C52 82.4(6) . . . . ? C56 C51 C52 C53 -1.8(8) . . . . ? C50 C51 C52 C53 -177.6(6) . . . . ? C51 C52 C53 C54 2.9(12) . . . . ? C52 C53 C54 C55 -2.5(15) . . . . ? C53 C54 C55 C56 1.1(14) . . . . ? C54 C55 C56 C51 -0.1(11) . . . . ? C52 C51 C56 C55 0.4(9) . . . . ? C50 C51 C56 C55 176.2(5) . . . . ? C11 C12 C1 C26 89.3(6) . . . . ? C13 C12 C1 C26 -91.2(5) . . . . ? O2 C21 C22 C23 -173.8(4) . . . . ? C26 C21 C22 C23 3.6(7) . . . . ? O2 C21 C22 C2 4.8(6) . . . . ? C26 C21 C22 C2 -177.8(4) . . . . ? C21 C22 C23 C24 -0.9(7) . . . . ? C2 C22 C23 C24 -179.6(4) . . . . ? C22 C23 C24 C25 -1.4(7) . . . . ? C22 C23 C24 C60 175.9(4) . . . . ? C23 C24 C25 C26 1.1(7) . . . . ? C60 C24 C25 C26 -176.1(5) . . . . ? C24 C25 C26 C21 1.4(7) . . . . ? C24 C25 C26 C1 -178.7(4) . . . . ? O2 C21 C26 C25 173.5(4) . . . . ? C22 C21 C26 C25 -3.9(7) . . . . ? O2 C21 C26 C1 -6.4(6) . . . . ? C22 C21 C26 C1 176.3(4) . . . . ? C12 C1 C26 C25 94.3(6) . . . . ? C12 C1 C26 C21 -85.8(6) . . . . ? C25 C24 C60 C61 72.0(6) . . . . ? C23 C24 C60 C61 -105.2(5) . . . . ? C24 C60 C61 C62 47.4(7) . . . . ? C24 C60 C61 C66 -135.3(6) . . . . ? C66 C61 C62 C63 4.6(9) . . . . ? C60 C61 C62 C63 -177.9(6) . . . . ? C61 C62 C63 C64 -3.5(11) . . . . ? C62 C63 C64 C65 1.7(14) . . . . ? C63 C64 C65 C66 -1.3(14) . . . . ? C62 C61 C66 C65 -4.4(10) . . . . ? C60 C61 C66 C65 178.2(6) . . . . ? C64 C65 C66 C61 2.8(12) . . . . ? C23 C22 C2 C36 -94.0(6) . . . . ? C21 C22 C2 C36 87.5(6) . . . . ? O3 C31 C32 C33 -178.3(4) . . . . ? C36 C31 C32 C33 -0.7(7) . . . . ? O3 C31 C32 C3 5.7(6) . . . . ? C36 C31 C32 C3 -176.7(4) . . . . ? C31 C32 C33 C34 2.0(7) . . . . ? C3 C32 C33 C34 178.1(4) . . . . ? C32 C33 C34 C35 -2.3(7) . . . . ? C32 C33 C34 C70 178.1(4) . . . . ? C33 C34 C35 C36 1.4(6) . . . . ? C70 C34 C35 C36 -179.1(4) . . . . ? C34 C35 C36 C31 -0.2(6) . . . . ? C34 C35 C36 C2 -179.3(4) . . . . ? C32 C31 C36 C35 -0.2(7) . . . . ? O3 C31 C36 C35 177.4(3) . . . . ? C32 C31 C36 C2 178.9(4) . . . . ? O3 C31 C36 C2 -3.5(7) . . . . ? C22 C2 C36 C35 90.2(6) . . . . ? C22 C2 C36 C31 -88.9(6) . . . . ? C35 C34 C70 C71 88.9(5) . . . . ? C33 C34 C70 C71 -91.6(6) . . . . ? C34 C70 C71 C76 -93.7(6) . . . . ? C34 C70 C71 C72 85.5(6) . . . . ? C76 C71 C72 C73 -1.1(8) . . . . ? C70 C71 C72 C73 179.6(5) . . . . ? C71 C72 C73 C74 0.0(9) . . . . ? C72 C73 C74 C75 1.5(9) . . . . ? C73 C74 C75 C76 -1.8(9) . . . . ? C72 C71 C76 C75 0.8(8) . . . . ? C70 C71 C76 C75 -179.9(5) . . . . ? C74 C75 C76 C71 0.7(9) . . . . ? C31 C32 C3 C46 86.2(5) . . . . ? C33 C32 C3 C46 -89.8(5) . . . . ? C46 C41 C42 C43 0.5(7) . . . . ? O4 C41 C42 C43 -177.6(4) . . . . ? C46 C41 C42 C4 -177.1(4) . . . . ? O4 C41 C42 C4 4.8(7) . . . . ? C41 C42 C43 C44 0.9(7) . . . . ? C4 C42 C43 C44 178.6(4) . . . . ? C42 C43 C44 C45 -1.3(7) . . . . ? C42 C43 C44 C80 178.5(4) . . . . ? C43 C44 C45 C46 0.3(7) . . . . ? C80 C44 C45 C46 -179.5(4) . . . . ? C44 C45 C46 C41 1.0(7) . . . . ? C44 C45 C46 C3 -175.8(4) . . . . ? O4 C41 C46 C45 176.5(4) . . . . ? C42 C41 C46 C45 -1.5(7) . . . . ? O4 C41 C46 C3 -6.7(7) . . . . ? C42 C41 C46 C3 175.3(5) . . . . ? C32 C3 C46 C45 88.3(5) . . . . ? C32 C3 C46 C41 -88.5(6) . . . . ? C43 C44 C80 C81 -92.8(5) . . . . ? C45 C44 C80 C81 87.0(6) . . . . ? C44 C80 C81 C86 -20.4(7) . . . . ? C44 C80 C81 C82 162.8(4) . . . . ? C86 C81 C82 C83 -2.0(8) . . . . ? C80 C81 C82 C83 175.0(5) . . . . ? C81 C82 C83 C84 2.5(9) . . . . ? C82 C83 C84 C85 -1.3(11) . . . . ? C83 C84 C85 C86 -0.2(10) . . . . ? C82 C81 C86 C85 0.5(9) . . . . ? C80 C81 C86 C85 -176.4(5) . . . . ? C84 C85 C86 C81 0.6(10) . . . . ? C43 C42 C4 C16 -87.8(5) . . . . ? C41 C42 C4 C16 89.9(5) . . . . ? C11 C16 C4 C42 -87.4(5) . . . . ? C15 C16 C4 C42 92.3(5) . . . . ? B4E C1E C2E B6E 104.6(6) . . . . ? B3E C1E C2E B6E 143.7(5) . . . . ? B5E C1E C2E B6E 36.8(6) . . . . ? B4E C1E C2E B8E -0.8(9) . . . . ? B3E C1E C2E B8E 38.4(6) . . . . ? B6E C1E C2E B8E -105.4(6) . . . . ? B5E C1E C2E B8E -68.6(8) . . . . ? B4E C1E C2E B3E -39.1(6) . . . . ? B6E C1E C2E B3E -143.7(5) . . . . ? B5E C1E C2E B3E -106.9(6) . . . . ? B4E C1E C2E B7E 66.6(9) . . . . ? B3E C1E C2E B7E 105.7(7) . . . . ? B6E C1E C2E B7E -38.0(6) . . . . ? B5E C1E C2E B7E -1.2(9) . . . . ? B4E C1E B3E C2E 138.8(5) . . . . ? B6E C1E B3E C2E 33.6(5) . . . . ? B5E C1E B3E C2E 100.1(6) . . . . ? C2E C1E B3E B9E -97.2(5) . . . . ? B4E C1E B3E B9E 41.6(5) . . . . ? B6E C1E B3E B9E -63.6(7) . . . . ? B5E C1E B3E B9E 2.9(7) . . . . ? C2E C1E B3E B4E -138.8(5) . . . . ? B6E C1E B3E B4E -105.2(5) . . . . ? B5E C1E B3E B4E -38.7(5) . . . . ? C2E C1E B3E B8E -34.4(4) . . . . ? B4E C1E B3E B8E 104.4(5) . . . . ? B6E C1E B3E B8E -0.8(7) . . . . ? B5E C1E B3E B8E 65.8(7) . . . . ? B6E C2E B3E C1E -35.1(6) . . . . ? B8E C2E B3E C1E -140.0(6) . . . . ? B7E C2E B3E C1E -103.2(7) . . . . ? C1E C2E B3E B9E 100.0(6) . . . . ? B6E C2E B3E B9E 64.9(8) . . . . ? B8E C2E B3E B9E -39.9(5) . . . . ? B7E C2E B3E B9E -3.2(8) . . . . ? C1E C2E B3E B4E 35.4(5) . . . . ? B6E C2E B3E B4E 0.3(8) . . . . ? B8E C2E B3E B4E -104.6(6) . . . . ? B7E C2E B3E B4E -67.8(8) . . . . ? C1E C2E B3E B8E 140.0(6) . . . . ? B6E C2E B3E B8E 104.9(6) . . . . ? B7E C2E B3E B8E 36.7(6) . . . . ? C2E C1E B4E B3E 38.9(5) . . . . ? B6E C1E B4E B3E 104.3(6) . . . . ? B5E C1E B4E B3E 139.9(6) . . . . ? C2E C1E B4E B10E -60.7(8) . . . . ? B3E C1E B4E B10E -99.6(6) . . . . ? B6E C1E B4E B10E 4.7(8) . . . . ? B5E C1E B4E B10E 40.3(5) . . . . ? C2E C1E B4E B5E -101.0(6) . . . . ? B3E C1E B4E B5E -139.9(6) . . . . ? B6E C1E B4E B5E -35.6(6) . . . . ? C2E C1E B4E B9E -0.2(8) . . . . ? B3E C1E B4E B9E -39.2(5) . . . . ? B6E C1E B4E B9E 65.1(7) . . . . ? B5E C1E B4E B9E 100.7(5) . . . . ? C2E B3E B4E C1E -34.8(5) . . . . ? B9E B3E B4E C1E -133.9(6) . . . . ? B8E B3E B4E C1E -95.6(6) . . . . ? C1E B3E B4E B10E 99.5(6) . . . . ? C2E B3E B4E B10E 64.7(7) . . . . ? B9E B3E B4E B10E -34.4(5) . . . . ? B8E B3E B4E B10E 3.9(8) . . . . ? C1E B3E B4E B5E 36.0(5) . . . . ? C2E B3E B4E B5E 1.2(7) . . . . ? B9E B3E B4E B5E -97.9(6) . . . . ? B8E B3E B4E B5E -59.6(8) . . . . ? C1E B3E B4E B9E 133.9(6) . . . . ? C2E B3E B4E B9E 99.1(6) . . . . ? B8E B3E B4E B9E 38.3(6) . . . . ? C2E C1E B5E B6E -36.4(6) . . . . ? B4E C1E B5E B6E -142.1(6) . . . . ? B3E C1E B5E B6E -103.6(6) . . . . ? C2E C1E B5E B11E 1.8(8) . . . . ? B4E C1E B5E B11E -103.9(6) . . . . ? B3E C1E B5E B11E -65.3(7) . . . . ? B6E C1E B5E B11E 38.2(6) . . . . ? C2E C1E B5E B4E 105.7(6) . . . . ? B3E C1E B5E B4E 38.6(5) . . . . ? B6E C1E B5E B4E 142.1(6) . . . . ? C2E C1E B5E B10E 66.4(7) . . . . ? B4E C1E B5E B10E -39.2(4) . . . . ? B3E C1E B5E B10E -0.7(7) . . . . ? B6E C1E B5E B10E 102.9(6) . . . . ? B3E B4E B5E C1E -35.5(5) . . . . ? B10E B4E B5E C1E -134.5(5) . . . . ? B9E B4E B5E C1E -96.9(5) . . . . ? C1E B4E B5E B6E 33.3(5) . . . . ? B3E B4E B5E B6E -2.2(8) . . . . ? B10E B4E B5E B6E -101.1(6) . . . . ? B9E B4E B5E B6E -63.5(6) . . . . ? C1E B4E B5E B11E 96.1(6) . . . . ? B3E B4E B5E B11E 60.6(7) . . . . ? B10E B4E B5E B11E -38.4(5) . . . . ? B9E B4E B5E B11E -0.8(7) . . . . ? C1E B4E B5E B10E 134.5(5) . . . . ? B3E B4E B5E B10E 99.0(6) . . . . ? B9E B4E B5E B10E 37.6(4) . . . . ? B8E C2E B6E C1E 104.1(6) . . . . ? B3E C2E B6E C1E 34.4(5) . . . . ? B7E C2E B6E C1E 139.6(5) . . . . ? C1E C2E B6E B11E -100.0(5) . . . . ? B8E C2E B6E B11E 4.1(7) . . . . ? B3E C2E B6E B11E -65.6(7) . . . . ? B7E C2E B6E B11E 39.6(5) . . . . ? C1E C2E B6E B7E -139.6(5) . . . . ? B8E C2E B6E B7E -35.5(5) . . . . ? B3E C2E B6E B7E -105.3(6) . . . . ? C1E C2E B6E B5E -36.1(5) . . . . ? B8E C2E B6E B5E 68.1(7) . . . . ? B3E C2E B6E B5E -1.7(8) . . . . ? B7E C2E B6E B5E 103.6(6) . . . . ? B4E C1E B6E C2E -103.1(6) . . . . ? B3E C1E B6E C2E -34.4(5) . . . . ? B5E C1E B6E C2E -139.5(6) . . . . ? C2E C1E B6E B11E 100.2(6) . . . . ? B4E C1E B6E B11E -2.9(8) . . . . ? B3E C1E B6E B11E 65.7(7) . . . . ? B5E C1E B6E B11E -39.4(6) . . . . ? C2E C1E B6E B7E 36.2(5) . . . . ? B4E C1E B6E B7E -66.9(7) . . . . ? B3E C1E B6E B7E 1.8(8) . . . . ? B5E C1E B6E B7E -103.3(6) . . . . ? C2E C1E B6E B5E 139.5(6) . . . . ? B4E C1E B6E B5E 36.5(6) . . . . ? B3E C1E B6E B5E 105.1(6) . . . . ? C1E B5E B6E C2E 34.8(5) . . . . ? B11E B5E B6E C2E -101.4(6) . . . . ? B4E B5E B6E C2E 2.3(7) . . . . ? B10E B5E B6E C2E -60.3(7) . . . . ? B11E B5E B6E C1E -136.2(6) . . . . ? B4E B5E B6E C1E -32.5(5) . . . . ? B10E B5E B6E C1E -95.1(6) . . . . ? C1E B5E B6E B11E 136.2(6) . . . . ? B4E B5E B6E B11E 103.7(7) . . . . ? B10E B5E B6E B11E 41.0(6) . . . . ? C1E B5E B6E B7E 99.0(6) . . . . ? B11E B5E B6E B7E -37.2(6) . . . . ? B4E B5E B6E B7E 66.5(7) . . . . ? B10E B5E B6E B7E 3.8(8) . . . . ? C1E C2E B7E B6E 38.5(6) . . . . ? B8E C2E B7E B6E 142.6(5) . . . . ? B3E C2E B7E B6E 105.3(6) . . . . ? C1E C2E B7E B12E -64.2(9) . . . . ? B6E C2E B7E B12E -102.7(6) . . . . ? B8E C2E B7E B12E 40.0(5) . . . . ? B3E C2E B7E B12E 2.6(9) . . . . ? C1E C2E B7E B8E -104.1(6) . . . . ? B6E C2E B7E B8E -142.6(5) . . . . ? B3E C2E B7E B8E -37.4(6) . . . . ? C1E C2E B7E B11E 0.1(9) . . . . ? B6E C2E B7E B11E -38.4(6) . . . . ? B8E C2E B7E B11E 104.3(6) . . . . ? B3E C2E B7E B11E 66.9(9) . . . . ? C1E B6E B7E C2E -34.8(4) . . . . ? B11E B6E B7E C2E -135.9(5) . . . . ? B5E B6E B7E C2E -98.7(5) . . . . ? C2E B6E B7E B12E 95.1(6) . . . . ? C1E B6E B7E B12E 60.3(7) . . . . ? B11E B6E B7E B12E -40.7(5) . . . . ? B5E B6E B7E B12E -3.5(8) . . . . ? C2E B6E B7E B8E 32.8(5) . . . . ? C1E B6E B7E B8E -2.0(8) . . . . ? B11E B6E B7E B8E -103.1(6) . . . . ? B5E B6E B7E B8E -65.9(7) . . . . ? C2E B6E B7E B11E 135.9(5) . . . . ? C1E B6E B7E B11E 101.1(6) . . . . ? B5E B6E B7E B11E 37.2(6) . . . . ? C1E C2E B8E B12E 63.4(8) . . . . ? B6E C2E B8E B12E -5.4(7) . . . . ? B3E C2E B8E B12E 100.7(5) . . . . ? B7E C2E B8E B12E -40.9(4) . . . . ? C1E C2E B8E B7E 104.2(6) . . . . ? B6E C2E B8E B7E 35.5(5) . . . . ? B3E C2E B8E B7E 141.6(5) . . . . ? C1E C2E B8E B9E 1.4(8) . . . . ? B6E C2E B8E B9E -67.3(7) . . . . ? B3E C2E B8E B9E 38.8(5) . . . . ? B7E C2E B8E B9E -102.8(6) . . . . ? C1E C2E B8E B3E -37.4(6) . . . . ? B6E C2E B8E B3E -106.1(6) . . . . ? B7E C2E B8E B3E -141.6(5) . . . . ? B6E B7E B8E C2E -32.5(5) . . . . ? B12E B7E B8E C2E -133.4(5) . . . . ? B11E B7E B8E C2E -95.6(6) . . . . ? C2E B7E B8E B12E 133.4(5) . . . . ? B6E B7E B8E B12E 100.9(6) . . . . ? B11E B7E B8E B12E 37.8(6) . . . . ? C2E B7E B8E B9E 95.7(5) . . . . ? B6E B7E B8E B9E 63.3(7) . . . . ? B12E B7E B8E B9E -37.6(5) . . . . ? B11E B7E B8E B9E 0.1(8) . . . . ? C2E B7E B8E B3E 34.0(5) . . . . ? B6E B7E B8E B3E 1.6(8) . . . . ? B12E B7E B8E B3E -99.3(6) . . . . ? B11E B7E B8E B3E -61.6(8) . . . . ? C1E B3E B8E C2E 33.9(5) . . . . ? B9E B3E B8E C2E 134.4(6) . . . . ? B4E B3E B8E C2E 95.2(7) . . . . ? C1E B3E B8E B12E -64.0(7) . . . . ? C2E B3E B8E B12E -97.9(6) . . . . ? B9E B3E B8E B12E 36.4(6) . . . . ? B4E B3E B8E B12E -2.7(9) . . . . ? C1E B3E B8E B7E -0.5(7) . . . . ? C2E B3E B8E B7E -34.4(5) . . . . ? B9E B3E B8E B7E 99.9(6) . . . . ? B4E B3E B8E B7E 60.8(8) . . . . ? C1E B3E B8E B9E -100.4(6) . . . . ? C2E B3E B8E B9E -134.4(6) . . . . ? B4E B3E B8E B9E -39.2(6) . . . . ? C1E B3E B9E B10E -4.0(7) . . . . ? C2E B3E B9E B10E -63.3(7) . . . . ? B4E B3E B9E B10E 35.7(5) . . . . ? B8E B3E B9E B10E -102.1(6) . . . . ? C1E B3E B9E B12E 61.8(7) . . . . ? C2E B3E B9E B12E 2.4(8) . . . . ? B4E B3E B9E B12E 101.5(6) . . . . ? B8E B3E B9E B12E -36.4(6) . . . . ? C1E B3E B9E B8E 98.2(6) . . . . ? C2E B3E B9E B8E 38.8(5) . . . . ? B4E B3E B9E B8E 137.9(6) . . . . ? C1E B3E B9E B4E -39.7(5) . . . . ? C2E B3E B9E B4E -99.0(6) . . . . ? B8E B3E B9E B4E -137.9(6) . . . . ? C2E B8E B9E B3E -38.9(6) . . . . ? B12E B8E B9E B3E -138.9(7) . . . . ? B7E B8E B9E B3E -101.1(7) . . . . ? C2E B8E B9E B10E 62.3(7) . . . . ? B12E B8E B9E B10E -37.6(5) . . . . ? B7E B8E B9E B10E 0.2(8) . . . . ? B3E B8E B9E B10E 101.3(6) . . . . ? C2E B8E B9E B12E 99.9(6) . . . . ? B7E B8E B9E B12E 37.8(6) . . . . ? B3E B8E B9E B12E 138.9(7) . . . . ? C2E B8E B9E B4E -1.5(7) . . . . ? B12E B8E B9E B4E -101.5(6) . . . . ? B7E B8E B9E B4E -63.7(7) . . . . ? B3E B8E B9E B4E 37.4(5) . . . . ? C1E B4E B9E B3E 39.4(5) . . . . ? B10E B4E B9E B3E 140.4(5) . . . . ? B5E B4E B9E B3E 101.8(5) . . . . ? C1E B4E B9E B10E -100.9(5) . . . . ? B3E B4E B9E B10E -140.4(5) . . . . ? B5E B4E B9E B10E -38.6(4) . . . . ? C1E B4E B9E B12E -61.3(6) . . . . ? B3E B4E B9E B12E -100.7(6) . . . . ? B10E B4E B9E B12E 39.6(5) . . . . ? B5E B4E B9E B12E 1.0(6) . . . . ? C1E B4E B9E B8E 1.1(7) . . . . ? B3E B4E B9E B8E -38.3(5) . . . . ? B10E B4E B9E B8E 102.1(6) . . . . ? B5E B4E B9E B8E 63.5(6) . . . . ? B3E B9E B10E B4E -35.4(5) . . . . ? B12E B9E B10E B4E -136.9(5) . . . . ? B8E B9E B10E B4E -100.6(6) . . . . ? B3E B9E B10E B5E 3.7(7) . . . . ? B12E B9E B10E B5E -97.8(5) . . . . ? B8E B9E B10E B5E -61.5(7) . . . . ? B4E B9E B10E B5E 39.0(5) . . . . ? B3E B9E B10E B12E 101.5(5) . . . . ? B8E B9E B10E B12E 36.3(5) . . . . ? B4E B9E B10E B12E 136.9(5) . . . . ? B3E B9E B10E B11E 64.8(7) . . . . ? B12E B9E B10E B11E -36.7(5) . . . . ? B8E B9E B10E B11E -0.5(8) . . . . ? B4E B9E B10E B11E 100.1(6) . . . . ? C1E B4E B10E B9E 96.2(5) . . . . ? B3E B4E B10E B9E 34.5(5) . . . . ? B5E B4E B10E B9E 136.4(5) . . . . ? C1E B4E B10E B5E -40.1(5) . . . . ? B3E B4E B10E B5E -101.9(6) . . . . ? B9E B4E B10E B5E -136.4(5) . . . . ? C1E B4E B10E B12E 58.2(7) . . . . ? B3E B4E B10E B12E -3.5(8) . . . . ? B5E B4E B10E B12E 98.3(5) . . . . ? B9E B4E B10E B12E -38.0(5) . . . . ? C1E B4E B10E B11E -4.5(7) . . . . ? B3E B4E B10E B11E -66.2(7) . . . . ? B5E B4E B10E B11E 35.6(5) . . . . ? B9E B4E B10E B11E -100.7(5) . . . . ? C1E B5E B10E B9E -1.8(7) . . . . ? B6E B5E B10E B9E 59.5(7) . . . . ? B11E B5E B10E B9E 99.0(5) . . . . ? B4E B5E B10E B9E -39.8(5) . . . . ? C1E B5E B10E B4E 37.9(4) . . . . ? B6E B5E B10E B4E 99.2(5) . . . . ? B11E B5E B10E B4E 138.8(5) . . . . ? C1E B5E B10E B12E -63.9(6) . . . . ? B6E B5E B10E B12E -2.6(7) . . . . ? B11E B5E B10E B12E 37.0(5) . . . . ? B4E B5E B10E B12E -101.8(5) . . . . ? C1E B5E B10E B11E -100.9(5) . . . . ? B6E B5E B10E B11E -39.6(5) . . . . ? B4E B5E B10E B11E -138.8(5) . . . . ? C2E B6E B11E B7E -39.6(5) . . . . ? C1E B6E B11E B7E -100.1(6) . . . . ? B5E B6E B11E B7E -139.3(6) . . . . ? C2E B6E B11E B5E 99.7(5) . . . . ? C1E B6E B11E B5E 39.2(6) . . . . ? B7E B6E B11E B5E 139.3(6) . . . . ? C2E B6E B11E B12E -1.1(7) . . . . ? C1E B6E B11E B12E -61.6(7) . . . . ? B7E B6E B11E B12E 38.5(5) . . . . ? B5E B6E B11E B12E -100.7(6) . . . . ? C2E B6E B11E B10E 60.4(7) . . . . ? C1E B6E B11E B10E -0.1(8) . . . . ? B7E B6E B11E B10E 100.0(6) . . . . ? B5E B6E B11E B10E -39.3(5) . . . . ? C2E B7E B11E B6E 37.5(5) . . . . ? B12E B7E B11E B6E 135.3(5) . . . . ? B8E B7E B11E B6E 98.9(6) . . . . ? C2E B7E B11E B5E 1.0(9) . . . . ? B6E B7E B11E B5E -36.5(6) . . . . ? B12E B7E B11E B5E 98.9(6) . . . . ? B8E B7E B11E B5E 62.4(8) . . . . ? C2E B7E B11E B12E -97.9(6) . . . . ? B6E B7E B11E B12E -135.3(5) . . . . ? B8E B7E B11E B12E -36.5(6) . . . . ? C2E B7E B11E B10E -61.8(8) . . . . ? B6E B7E B11E B10E -99.3(6) . . . . ? B12E B7E B11E B10E 36.1(5) . . . . ? B8E B7E B11E B10E -0.4(8) . . . . ? C1E B5E B11E B6E -38.1(5) . . . . ? B4E B5E B11E B6E -98.0(6) . . . . ? B10E B5E B11E B6E -135.1(6) . . . . ? C1E B5E B11E B7E -1.7(9) . . . . ? B6E B5E B11E B7E 36.4(6) . . . . ? B4E B5E B11E B7E -61.6(8) . . . . ? B10E B5E B11E B7E -98.8(7) . . . . ? C1E B5E B11E B12E 60.2(7) . . . . ? B6E B5E B11E B12E 98.2(5) . . . . ? B4E B5E B11E B12E 0.3(7) . . . . ? B10E B5E B11E B12E -36.9(5) . . . . ? C1E B5E B11E B10E 97.1(6) . . . . ? B6E B5E B11E B10E 135.1(6) . . . . ? B4E B5E B11E B10E 37.2(5) . . . . ? B9E B10E B11E B6E -61.9(7) . . . . ? B4E B10E B11E B6E 2.8(8) . . . . ? B5E B10E B11E B6E 39.4(5) . . . . ? B12E B10E B11E B6E -98.4(6) . . . . ? B9E B10E B11E B7E 0.5(8) . . . . ? B4E B10E B11E B7E 65.3(8) . . . . ? B5E B10E B11E B7E 101.8(7) . . . . ? B12E B10E B11E B7E -36.0(5) . . . . ? B9E B10E B11E B5E -101.3(5) . . . . ? B4E B10E B11E B5E -36.6(5) . . . . ? B12E B10E B11E B5E -137.8(5) . . . . ? B9E B10E B11E B12E 36.5(5) . . . . ? B4E B10E B11E B12E 101.2(6) . . . . ? B5E B10E B11E B12E 137.8(5) . . . . ? C2E B8E B12E B9E -97.1(5) . . . . ? B7E B8E B12E B9E -137.7(6) . . . . ? B3E B8E B12E B9E -35.8(6) . . . . ? C2E B8E B12E B7E 40.6(5) . . . . ? B9E B8E B12E B7E 137.7(6) . . . . ? B3E B8E B12E B7E 101.9(6) . . . . ? C2E B8E B12E B10E -60.8(7) . . . . ? B7E B8E B12E B10E -101.4(6) . . . . ? B9E B8E B12E B10E 36.3(5) . . . . ? B3E B8E B12E B10E 0.4(8) . . . . ? C2E B8E B12E B11E 4.4(7) . . . . ? B7E B8E B12E B11E -36.2(5) . . . . ? B9E B8E B12E B11E 101.6(6) . . . . ? B3E B8E B12E B11E 65.7(7) . . . . ? B3E B9E B12E B8E 37.5(6) . . . . ? B10E B9E B12E B8E 139.2(6) . . . . ? B4E B9E B12E B8E 100.4(6) . . . . ? B3E B9E B12E B7E -1.0(8) . . . . ? B10E B9E B12E B7E 100.8(6) . . . . ? B8E B9E B12E B7E -38.4(5) . . . . ? B4E B9E B12E B7E 62.0(7) . . . . ? B3E B9E B12E B10E -101.8(6) . . . . ? B8E B9E B12E B10E -139.2(6) . . . . ? B4E B9E B12E B10E -38.8(4) . . . . ? B3E B9E B12E B11E -63.8(7) . . . . ? B10E B9E B12E B11E 37.9(5) . . . . ? B8E B9E B12E B11E -101.3(6) . . . . ? B4E B9E B12E B11E -0.9(7) . . . . ? C2E B7E B12E B8E -39.7(5) . . . . ? B6E B7E B12E B8E -99.7(6) . . . . ? B11E B7E B12E B8E -139.3(6) . . . . ? C2E B7E B12E B9E -0.9(8) . . . . ? B6E B7E B12E B9E -61.0(8) . . . . ? B8E B7E B12E B9E 38.7(5) . . . . ? B11E B7E B12E B9E -100.5(6) . . . . ? C2E B7E B12E B10E 61.9(7) . . . . ? B6E B7E B12E B10E 1.8(8) . . . . ? B8E B7E B12E B10E 101.6(6) . . . . ? B11E B7E B12E B10E -37.7(5) . . . . ? C2E B7E B12E B11E 99.6(6) . . . . ? B6E B7E B12E B11E 39.6(5) . . . . ? B8E B7E B12E B11E 139.3(6) . . . . ? B9E B10E B12E B8E -37.3(5) . . . . ? B4E B10E B12E B8E 1.9(8) . . . . ? B5E B10E B12E B8E 64.9(7) . . . . ? B11E B10E B12E B8E 101.2(6) . . . . ? B4E B10E B12E B9E 39.2(5) . . . . ? B5E B10E B12E B9E 102.2(5) . . . . ? B11E B10E B12E B9E 138.5(6) . . . . ? B9E B10E B12E B7E -101.8(6) . . . . ? B4E B10E B12E B7E -62.5(7) . . . . ? B5E B10E B12E B7E 0.4(7) . . . . ? B11E B10E B12E B7E 36.7(5) . . . . ? B9E B10E B12E B11E -138.5(6) . . . . ? B4E B10E B12E B11E -99.3(6) . . . . ? B5E B10E B12E B11E -36.3(5) . . . . ? B6E B11E B12E B8E -2.1(7) . . . . ? B7E B11E B12E B8E 36.8(5) . . . . ? B5E B11E B12E B8E -64.7(6) . . . . ? B10E B11E B12E B8E -101.9(5) . . . . ? B6E B11E B12E B9E 63.0(6) . . . . ? B7E B11E B12E B9E 101.9(5) . . . . ? B5E B11E B12E B9E 0.4(7) . . . . ? B10E B11E B12E B9E -36.8(5) . . . . ? B6E B11E B12E B7E -39.0(5) . . . . ? B5E B11E B12E B7E -101.5(6) . . . . ? B10E B11E B12E B7E -138.8(5) . . . . ? B6E B11E B12E B10E 99.8(5) . . . . ? B7E B11E B12E B10E 138.8(5) . . . . ? B5E B11E B12E B10E 37.2(5) . . . . ? 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 O1 H1 O4 0.82 1.89 2.693(4) 166.5 . O2 H2 O1 0.82 1.87 2.642(5) 156.6 . O3 H3 O2 0.82 1.85 2.658(4) 166.3 . O4 H4 O3 0.82 1.90 2.700(4) 164.7 . _diffrn_measured_fraction_theta_max 0.992 _diffrn_reflns_theta_full 25.68 _diffrn_measured_fraction_theta_full 0.992 _refine_diff_density_max 0.259 _refine_diff_density_min -0.223 _refine_diff_density_rms 0.057