#data_New_Global_Publ_Block data_global _audit_update_record ; 2011-01-04 # Formatted by publCIF ; _audit_creation_method ; manual editing of the CIF file created by SHELXTL Ver. 6.10 and processed with modiCIfer-03272007. ; # 1. SUBMISSION DETAILS _publ_contact_author_name ; Guzei, Ilia A. ; _publ_contact_author_address ; Department of Chemistry University of Wisconsin-Madison 1101 University Ave Madison, WI 53706 USA ; _publ_contact_author_phone '608-263-4694' _publ_contact_author_fax '608-262-0381' _publ_contact_author_email iguzei@chem.wisc.edu _publ_contact_letter ; Please consider this CIF submission for publication in ; _publ_requested_journal ; ; _publ_requested_category FA # FA 'Full article' # FI 'Full submission - inorganic (Acta C)' # FO 'Full submission - organic (Acta C)' # FM 'Full submission - metal-organic (Acta C)' # CI 'CIF-access paper - inorganic (Acta C)' # CO 'CIF-access paper - organic (Acta C)' # CM 'CIF-access paper - metal-organic (Acta C)' # 2. TITLE AND AUTHOR LIST _publ_section_title ; Title (type here to add) ; loop_ _publ_author_name _publ_author_address 'Guzei, Ilia A.' ; Department of Chemistry University of Wisconsin-Madison 1101 University Ave Madison, WI 53706 USA ; 'Spencer, Lara C.' ; Department of Chemistry University of Wisconsin-Madison 1101 University Ave Madison, WI 53706 USA ; _publ_section_synopsis . _publ_section_abstract ; (type here to add abstract) ; _publ_section_comment ; (type here to add) ; _publ_section_references ; Allen, F. H. (2002). Acta Cryst. B58, 380--388. Bruker-AXS. (2007--2009). APEX2 (Ver. 2.1-4), SADABS, SAINTPLUS, SHELXTL. Bruker-AXS Inc., Madison, WI, USA. Bruno, I. J., Cole, J. C., Edgington, P. R., Kessler, M., Macrae, C. F., McCabe, P., Pearson, J. & Taylor, R. (2002). Acta Cryst. B58, 389--397. Cremer, D. & Pople, J. A. (1975). J. Am. Chem. Soc. 97, 1358--1367. Dolomanov, O. V., Bourhis, L. J., Gildea, R. J., Howard, J. A. K. & Pushmann, H. (2009). J. Appl. Cryst. 42, 339--341. Frisch, M. J., Trucks, G. W., Schlegel, H. B., Scuseria, G. E., Robb, M. A., Cheeseman, J. R., Montgomery, J. A. Jr, Vreven, T., Kudin, K. N., Burant, J. C., Millam, J. M., Iyengar, S. S., Tomasi, J., Barone, V., Mennucci, B., et al. (2004). Gaussian 03, Revision C.02, Gaussian, Inc., Wallingford, CT, USA. Guzei, I. A. (2007). In-house Crystallographic Programs: FCF_filter,INSerter, modiCIFer. Molecular Structure Laboratory, University of Wisconsin-Madison, Madison, WI, USA. Sheldrick, G. M. (2008). Acta Cryst. A64, 112--122. Westrip, S. P. (2009). publCIF. In preparation. ; _publ_section_acknowledgements ; The manuscript was prepared with the beta test version 1.0.2. of program publCIF (Westrip, 2009) and Ilia A. Guzei's program modiCIFer. ; _publ_section_figure_captions ; Figure 1. Molecular structure of (I). The thermal ellipsoids are shown at 50% probability level. ; _publ_section_exptl_prep ; ; _publ_section_exptl_refinement ; All H-atoms were placed in idealized locations and refined as riding with appropriate thermal displacement coefficients U~iso~(H) = 1.2 or 1.5 times U~eq~(bearing atom). ; #3. data _diffrn_source 'microfocus sealed X-ray tube' _diffrn_source_type 'Incoatec I\ms' data_nelsen27 _chemical_name_systematic ? _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety 'C46 H48 N4, 2(C12 H34 B11), 4(C H2 Cl2) ' _chemical_formula_sum 'C74 H124 B22 Cl8 N4' _chemical_formula_weight 1591.19 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' 'B' 'B' 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'N' 'N' 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Cl' 'Cl' 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting 'triclinic' _symmetry_space_group_name_H-M 'P -1 ' _symmetry_space_group_name_Hall '-P 1 ' _symmetry_int_tables_number 2 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, -z' _cell_length_a 12.1617(3) _cell_length_b 15.3473(4) _cell_length_c 24.0940(5) _cell_angle_alpha 83.6615(14) _cell_angle_beta 82.0615(14) _cell_angle_gamma 79.8284(14) _cell_volume 4366.93(18) _cell_formula_units_Z 2 _cell_measurement_temperature 100(1) _cell_measurement_reflns_used 9167 _cell_measurement_theta_min 2.3031 _cell_measurement_theta_max 25.1820 _exptl_crystal_description block _exptl_crystal_colour green _exptl_crystal_size_max 0.10 _exptl_crystal_size_mid 0.08 _exptl_crystal_size_min 0.05 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.210 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 1684 _exptl_absorpt_coefficient_mu 0.301 _exptl_absorpt_correction_type 'analytical' _exptl_absorpt_process_details ; SADABS (Bruker-AXS, 2007) ; _exptl_absorpt_correction_T_min 0.9705 _exptl_absorpt_correction_T_max 0.9851 _exptl_special_details ? _diffrn_ambient_temperature 100(1) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type 'Mo K\a' _diffrn_radiation_source . _diffrn_radiation_monochromator 'mirror optics' _diffrn_measurement_device_type 'Bruker SMART APEX2 area detector' _diffrn_measurement_method '0.60\% \w and 0.6\% \f scans' _diffrn_detector_area_resol_mean ? _diffrn_reflns_number 57952 _diffrn_reflns_av_R_equivalents 0.0840 _diffrn_reflns_av_sigmaI/netI 0.0895 _diffrn_reflns_limit_h_min -14 _diffrn_reflns_limit_h_max 13 _diffrn_reflns_limit_k_min -18 _diffrn_reflns_limit_k_max 18 _diffrn_reflns_limit_l_min -29 _diffrn_reflns_limit_l_max 29 _diffrn_reflns_theta_min 1.71 _diffrn_reflns_theta_max 25.40 _reflns_number_total 16027 _reflns_number_gt 9659 _reflns_threshold_expression I>2\s(I) _computing_data_collection 'APEX2 Ver. 2.1-4 (Bruker-AXS, 2009)' _computing_cell_refinement 'SAINT Ver. 7.24A (Bruker-AXS, 2007)' _computing_data_reduction 'SAINT Ver. 7.24A' _computing_structure_solution 'SHELXTL (Sheldrick, 2008)' _computing_structure_refinement 'SHELXTL, OLEX2 (Dolomanov et al., 2009)' _computing_molecular_graphics 'SHELXTL' _computing_publication_material 'SHELXTL' _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^)+(0.0675P)^2^+1.9511P] 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 none _refine_ls_extinction_coef ? _refine_ls_number_reflns 16027 _refine_ls_number_parameters 1005 _refine_ls_number_restraints 9 _refine_ls_R_factor_all 0.1157 _refine_ls_R_factor_gt 0.0595 _refine_ls_wR_factor_ref 0.1549 _refine_ls_wR_factor_gt 0.1305 _refine_ls_goodness_of_fit_ref 0.989 _refine_ls_restrained_S_all 0.989 _refine_ls_shift/su_max 0.004 _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 N1 N 0.7614(2) -0.06914(16) 0.97256(10) 0.0156(6) Uani 1 1 d . . . N2 N 0.3900(2) 0.20007(16) 0.98193(10) 0.0171(6) Uani 1 1 d . . . C1 C 0.9251(3) -0.0591(2) 0.82718(14) 0.0287(8) Uani 1 1 d . . . H1 H 0.9068 -0.1100 0.8136 0.034 Uiso 1 1 calc R . . C2 C 0.9922(3) -0.0067(3) 0.79285(15) 0.0378(10) Uani 1 1 d . . . H2 H 1.0212 -0.0221 0.7559 0.045 Uiso 1 1 calc R . . C3 C 1.0175(3) 0.0682(3) 0.81174(15) 0.0333(9) Uani 1 1 d . . . H3 H 1.0628 0.1047 0.7877 0.040 Uiso 1 1 calc R . . C4 C 0.9766(3) 0.0899(2) 0.86589(14) 0.0276(8) Uani 1 1 d . . . H4 H 0.9941 0.1412 0.8792 0.033 Uiso 1 1 calc R . . C5 C 0.9104(3) 0.0366(2) 0.90053(13) 0.0219(7) Uani 1 1 d . . . H5 H 0.8830 0.0516 0.9377 0.026 Uiso 1 1 calc R . . C6 C 0.8838(3) -0.0376(2) 0.88200(12) 0.0182(7) Uani 1 1 d . . . C7 C 0.8146(3) -0.1007(2) 0.91837(12) 0.0177(7) Uani 1 1 d . . . H7A H 0.7551 -0.1115 0.8970 0.021 Uiso 1 1 calc R . . H7B H 0.8641 -0.1582 0.9256 0.021 Uiso 1 1 calc R . . C8 C 0.6743(2) -0.0009(2) 0.97467(12) 0.0147(7) Uani 1 1 d . . . C9 C 0.6275(2) 0.03827(19) 0.92468(12) 0.0146(7) Uani 1 1 d . . . H9 H 0.6619 0.0190 0.8893 0.017 Uiso 1 1 calc R . . C10 C 0.5349(2) 0.1024(2) 0.92670(12) 0.0159(7) Uani 1 1 d . . . H10 H 0.5038 0.1249 0.8929 0.019 Uiso 1 1 calc R . . C11 C 0.4833(2) 0.13682(19) 0.97818(12) 0.0141(7) Uani 1 1 d . . . C12 C 0.5364(2) 0.1043(2) 1.02682(12) 0.0157(7) Uani 1 1 d . . . H12 H 0.5092 0.1302 1.0611 0.019 Uiso 1 1 calc R . . C13 C 0.6256(2) 0.0366(2) 1.02560(12) 0.0157(7) Uani 1 1 d . . . H13 H 0.6560 0.0139 1.0596 0.019 Uiso 1 1 calc R . . C14 C 0.3673(3) 0.2573(2) 1.02885(13) 0.0197(7) Uani 1 1 d . . . H14B H 0.3565 0.2197 1.0646 0.024 Uiso 1 1 calc R . . H14A H 0.2961 0.2990 1.0250 0.024 Uiso 1 1 calc R . . C15 C 0.4593(3) 0.3103(2) 1.03203(13) 0.0183(7) Uani 1 1 d . . . C16 C 0.5206(3) 0.3442(2) 0.98390(14) 0.0244(8) Uani 1 1 d . . . H16 H 0.5080 0.3309 0.9480 0.029 Uiso 1 1 calc R . . C17 C 0.6000(3) 0.3975(2) 0.98791(16) 0.0314(9) Uani 1 1 d . . . H17 H 0.6408 0.4208 0.9548 0.038 Uiso 1 1 calc R . . C18 C 0.6198(3) 0.4164(2) 1.04021(16) 0.0319(9) Uani 1 1 d . . . H18 H 0.6743 0.4526 1.0430 0.038 Uiso 1 1 calc R . . C19 C 0.5602(3) 0.3826(2) 1.08812(16) 0.0313(9) Uani 1 1 d . . . H19 H 0.5738 0.3953 1.1240 0.038 Uiso 1 1 calc R . . C20 C 0.4806(3) 0.3302(2) 1.08412(14) 0.0253(8) Uani 1 1 d . . . H20 H 0.4398 0.3073 1.1174 0.030 Uiso 1 1 calc R . . C21 C 0.8193(3) -0.1087(2) 1.02113(12) 0.0177(7) Uani 1 1 d . . . H21B H 0.7896 -0.0731 1.0534 0.021 Uiso 1 1 calc R . . H21A H 0.9004 -0.1052 1.0121 0.021 Uiso 1 1 calc R . . C22 C 0.8065(2) -0.2052(2) 1.03864(13) 0.0187(7) Uani 1 1 d . . . H22B H 0.8561 -0.2287 1.0680 0.022 Uiso 1 1 calc R . . H22A H 0.8331 -0.2400 1.0058 0.022 Uiso 1 1 calc R . . C23 C 0.3130(3) 0.2204(2) 0.93889(13) 0.0199(7) Uani 1 1 d . . . H23A H 0.3422 0.1828 0.9075 0.024 Uiso 1 1 calc R . . H23B H 0.3108 0.2833 0.9237 0.024 Uiso 1 1 calc R . . N3 N 0.7349(2) 0.55973(16) 0.52658(10) 0.0149(6) Uani 1 1 d . . . N4 N 1.1211(2) 0.30522(16) 0.51478(10) 0.0155(6) Uani 1 1 d . . . C24 C 0.5742(3) 0.5215(2) 0.66993(13) 0.0246(8) Uani 1 1 d . . . H24 H 0.5870 0.5711 0.6871 0.029 Uiso 1 1 calc R . . C25 C 0.5156(3) 0.4596(2) 0.70107(14) 0.0285(8) Uani 1 1 d . . . H25 H 0.4878 0.4671 0.7394 0.034 Uiso 1 1 calc R . . C26 C 0.4973(3) 0.3864(2) 0.67672(14) 0.0292(8) Uani 1 1 d . . . H26 H 0.4569 0.3438 0.6981 0.035 Uiso 1 1 calc R . . C27 C 0.5381(3) 0.3761(2) 0.62130(14) 0.0255(8) Uani 1 1 d . . . H27 H 0.5267 0.3257 0.6046 0.031 Uiso 1 1 calc R . . C28 C 0.5959(3) 0.4384(2) 0.58960(13) 0.0215(7) Uani 1 1 d . . . H28 H 0.6228 0.4310 0.5512 0.026 Uiso 1 1 calc R . . C29 C 0.6145(2) 0.5120(2) 0.61378(12) 0.0165(7) Uani 1 1 d . . . C30 C 0.6744(3) 0.5840(2) 0.58133(12) 0.0184(7) Uani 1 1 d . . . H30A H 0.6183 0.6382 0.5751 0.022 Uiso 1 1 calc R . . H30B H 0.7287 0.5985 0.6045 0.022 Uiso 1 1 calc R . . C31 C 0.8262(2) 0.49572(19) 0.52369(12) 0.0136(6) Uani 1 1 d . . . C32 C 0.8719(2) 0.4546(2) 0.57365(12) 0.0159(7) Uani 1 1 d . . . H32 H 0.8345 0.4705 0.6093 0.019 Uiso 1 1 calc R . . C33 C 0.9681(2) 0.39307(19) 0.57124(12) 0.0145(7) Uani 1 1 d . . . H33 H 0.9977 0.3687 0.6051 0.017 Uiso 1 1 calc R . . C34 C 1.0248(2) 0.3647(2) 0.51911(12) 0.0152(7) Uani 1 1 d . . . C35 C 0.9731(2) 0.3998(2) 0.46974(12) 0.0161(7) Uani 1 1 d . . . H35 H 1.0042 0.3778 0.4346 0.019 Uiso 1 1 calc R . . C36 C 0.8807(2) 0.4639(2) 0.47201(12) 0.0158(7) Uani 1 1 d . . . H36 H 0.8514 0.4883 0.4380 0.019 Uiso 1 1 calc R . . C37 C 1.1498(3) 0.2508(2) 0.46654(13) 0.0202(7) Uani 1 1 d . . . H37B H 1.2213 0.2099 0.4710 0.024 Uiso 1 1 calc R . . H37A H 1.1619 0.2903 0.4317 0.024 Uiso 1 1 calc R . . C38 C 1.0603(3) 0.1970(2) 0.46042(13) 0.0208(7) Uani 1 1 d . . . C39 C 0.9971(3) 0.1610(2) 0.50697(15) 0.0284(8) Uani 1 1 d . . . H39 H 1.0067 0.1732 0.5437 0.034 Uiso 1 1 calc R . . C40 C 0.9205(3) 0.1078(2) 0.50035(17) 0.0375(10) Uani 1 1 d . . . H40 H 0.8769 0.0840 0.5324 0.045 Uiso 1 1 calc R . . C41 C 0.9072(3) 0.0890(2) 0.44730(18) 0.0384(10) Uani 1 1 d . . . H41 H 0.8557 0.0511 0.4429 0.046 Uiso 1 1 calc R . . C42 C 0.9681(3) 0.1249(3) 0.40087(17) 0.0389(10) Uani 1 1 d . . . H42 H 0.9577 0.1127 0.3643 0.047 Uiso 1 1 calc R . . C43 C 1.0447(3) 0.1789(2) 0.40726(15) 0.0309(9) Uani 1 1 d . . . H43 H 1.0868 0.2036 0.3750 0.037 Uiso 1 1 calc R . . C44 C 0.6763(3) 0.5999(2) 0.47787(13) 0.0186(7) Uani 1 1 d . . . H44B H 0.5958 0.5939 0.4863 0.022 Uiso 1 1 calc R . . H44A H 0.7083 0.5663 0.4449 0.022 Uiso 1 1 calc R . . C45 C 0.6849(2) 0.6975(2) 0.46250(13) 0.0191(7) Uani 1 1 d . . . H45B H 0.6562 0.7304 0.4961 0.023 Uiso 1 1 calc R . . H45A H 0.6355 0.7212 0.4331 0.023 Uiso 1 1 calc R . . C46 C 1.1958(2) 0.2841(2) 0.55879(13) 0.0189(7) Uani 1 1 d . . . H46A H 1.1995 0.2206 0.5727 0.023 Uiso 1 1 calc R . . H46B H 1.1643 0.3200 0.5907 0.023 Uiso 1 1 calc R . . C47 C 0.6787(3) 0.0144(2) 0.28835(13) 0.0203(7) Uani 1 1 d . . . H47 H 0.7728 -0.0016 0.2838 0.024 Uiso 1 1 calc R . . C48 C 0.6732(3) -0.0331(2) 0.40794(13) 0.0269(8) Uani 1 1 d . . . H48A H 0.6625 0.0145 0.4331 0.040 Uiso 1 1 calc R . . H48B H 0.7537 -0.0500 0.3955 0.040 Uiso 1 1 calc R . . H48C H 0.6435 -0.0848 0.4280 0.040 Uiso 1 1 calc R . . C49 C 0.6690(3) -0.1725(2) 0.30942(14) 0.0316(9) Uani 1 1 d . . . H49A H 0.6373 -0.2031 0.3442 0.047 Uiso 1 1 calc R . . H49B H 0.7492 -0.1726 0.3108 0.047 Uiso 1 1 calc R . . H49C H 0.6599 -0.2032 0.2772 0.047 Uiso 1 1 calc R . . C50 C 0.6798(3) -0.0554(2) 0.18166(13) 0.0263(8) Uani 1 1 d . . . H50A H 0.6273 -0.0587 0.1548 0.039 Uiso 1 1 calc R . . H50B H 0.7170 -0.1155 0.1930 0.039 Uiso 1 1 calc R . . H50C H 0.7365 -0.0197 0.1639 0.039 Uiso 1 1 calc R . . C51 C 0.6953(3) 0.1577(2) 0.20078(15) 0.0366(9) Uani 1 1 d . . . H51A H 0.6711 0.1598 0.1634 0.055 Uiso 1 1 calc R . . H51B H 0.7744 0.1296 0.1996 0.055 Uiso 1 1 calc R . . H51C H 0.6868 0.2182 0.2120 0.055 Uiso 1 1 calc R . . C52 C 0.6907(3) 0.1707(2) 0.34048(15) 0.0352(9) Uani 1 1 d . . . H52A H 0.7668 0.1617 0.3201 0.053 Uiso 1 1 calc R . . H52B H 0.6948 0.1561 0.3809 0.053 Uiso 1 1 calc R . . H52C H 0.6558 0.2329 0.3337 0.053 Uiso 1 1 calc R . . C53 C 0.4291(3) 0.1294(3) 0.40954(15) 0.0365(9) Uani 1 1 d . . . H53A H 0.3820 0.1860 0.3992 0.055 Uiso 1 1 calc R . . H53B H 0.4872 0.1401 0.4312 0.055 Uiso 1 1 calc R . . H53C H 0.3823 0.0897 0.4324 0.055 Uiso 1 1 calc R . . C54 C 0.4163(3) -0.0903(3) 0.39061(15) 0.0363(9) Uani 1 1 d . . . H54A H 0.3392 -0.0605 0.4010 0.054 Uiso 1 1 calc R . . H54B H 0.4566 -0.1012 0.4238 0.054 Uiso 1 1 calc R . . H54C H 0.4144 -0.1470 0.3760 0.054 Uiso 1 1 calc R . . C55 C 0.4206(3) -0.1053(2) 0.24648(15) 0.0326(9) Uani 1 1 d . . . H55A H 0.3586 -0.0730 0.2265 0.049 Uiso 1 1 calc R . . H55B H 0.3908 -0.1443 0.2778 0.049 Uiso 1 1 calc R . . H55C H 0.4747 -0.1411 0.2205 0.049 Uiso 1 1 calc R . . C56 C 0.4353(3) 0.1034(2) 0.17801(14) 0.0317(9) Uani 1 1 d . . . H56A H 0.4599 0.0581 0.1513 0.048 Uiso 1 1 calc R . . H56B H 0.4591 0.1594 0.1617 0.048 Uiso 1 1 calc R . . H56C H 0.3531 0.1122 0.1863 0.048 Uiso 1 1 calc R . . C57 C 0.4452(3) 0.2500(2) 0.27853(16) 0.0407(10) Uani 1 1 d . . . H57A H 0.4401 0.2687 0.2386 0.061 Uiso 1 1 calc R . . H57B H 0.4952 0.2835 0.2927 0.061 Uiso 1 1 calc R . . H57C H 0.3701 0.2613 0.2998 0.061 Uiso 1 1 calc R . . C58 C 0.2733(3) 0.0830(3) 0.30723(16) 0.0406(10) Uani 1 1 d . . . H58A H 0.2495 0.1475 0.3015 0.061 Uiso 1 1 calc R . . H58B H 0.2423 0.0613 0.3449 0.061 Uiso 1 1 calc R . . H58C H 0.2456 0.0539 0.2789 0.061 Uiso 1 1 calc R . . B1 B 0.6084(3) 0.0008(2) 0.35485(15) 0.0201(8) Uani 1 1 d . . . B2 B 0.6053(3) -0.0730(2) 0.30309(15) 0.0207(8) Uani 1 1 d . . . B3 B 0.6122(3) -0.0106(2) 0.23585(15) 0.0189(8) Uani 1 1 d . . . B4 B 0.6199(3) 0.1014(3) 0.24516(16) 0.0232(9) Uani 1 1 d . . . B5 B 0.6178(3) 0.1084(3) 0.31910(16) 0.0233(9) Uani 1 1 d . . . B6 B 0.4874(3) 0.0844(3) 0.35375(16) 0.0239(9) Uani 1 1 d . . . B7 B 0.4789(3) -0.0290(3) 0.34361(15) 0.0229(9) Uani 1 1 d . . . B8 B 0.4819(3) -0.0361(3) 0.27033(15) 0.0215(8) Uani 1 1 d . . . B9 B 0.4905(3) 0.0713(2) 0.23496(16) 0.0227(9) Uani 1 1 d . . . B10 B 0.4942(3) 0.1460(3) 0.28590(16) 0.0247(9) Uani 1 1 d . . . B11 B 0.4081(3) 0.0607(3) 0.30127(16) 0.0257(9) Uani 1 1 d . . . C59 C 1.0450(3) 0.5579(2) 0.15924(13) 0.0253(8) Uani 1 1 d . . . H59 H 1.0741 0.6176 0.1345 0.030 Uiso 1 1 calc R . . C60 C 0.8913(4) 0.5546(3) 0.07861(15) 0.0457(11) Uani 1 1 d . . . H60A H 0.9132 0.5118 0.0501 0.069 Uiso 1 1 calc R . . H60C H 0.9203 0.6097 0.0648 0.069 Uiso 1 1 calc R . . H60B H 0.8090 0.5674 0.0861 0.069 Uiso 1 1 calc R . . C61 C 0.8367(4) 0.6683(3) 0.19542(17) 0.0537(13) Uani 1 1 d . . . H61A H 0.7766 0.6697 0.1720 0.080 Uiso 1 1 calc R . . H61B H 0.8827 0.7137 0.1799 0.080 Uiso 1 1 calc R . . H61C H 0.8036 0.6802 0.2338 0.080 Uiso 1 1 calc R . . C62 C 1.0716(3) 0.6306(2) 0.26015(15) 0.0337(9) Uani 1 1 d . . . H62A H 1.0966 0.6754 0.2313 0.051 Uiso 1 1 calc R . . H62B H 1.1328 0.6061 0.2828 0.051 Uiso 1 1 calc R . . H62C H 1.0063 0.6581 0.2845 0.051 Uiso 1 1 calc R . . C63 C 1.2719(3) 0.4960(3) 0.18338(15) 0.0352(9) Uani 1 1 d . . . H63A H 1.2915 0.5066 0.2199 0.053 Uiso 1 1 calc R . . H63B H 1.2828 0.5471 0.1563 0.053 Uiso 1 1 calc R . . H63C H 1.3204 0.4425 0.1699 0.053 Uiso 1 1 calc R . . C64 C 1.1597(3) 0.4538(2) 0.07108(13) 0.0311(9) Uani 1 1 d . . . H64A H 1.1340 0.4126 0.0493 0.047 Uiso 1 1 calc R . . H64B H 1.2385 0.4326 0.0767 0.047 Uiso 1 1 calc R . . H64C H 1.1528 0.5130 0.0506 0.047 Uiso 1 1 calc R . . C65 C 0.9426(3) 0.3275(3) 0.11907(15) 0.0355(9) Uani 1 1 d . . . H65A H 0.9432 0.2705 0.1420 0.053 Uiso 1 1 calc R . . H65B H 0.9982 0.3198 0.0857 0.053 Uiso 1 1 calc R . . H65C H 0.8677 0.3481 0.1074 0.053 Uiso 1 1 calc R . . C66 C 0.7367(3) 0.4633(4) 0.19892(19) 0.0635(15) Uani 1 1 d . . . H66A H 0.7290 0.4090 0.1829 0.095 Uiso 1 1 calc R . . H66B H 0.6995 0.5152 0.1771 0.095 Uiso 1 1 calc R . . H66C H 0.7016 0.4621 0.2381 0.095 Uiso 1 1 calc R . . C67 C 0.8523(3) 0.5134(3) 0.31490(15) 0.0425(11) Uani 1 1 d . . . H67A H 0.7758 0.5417 0.3085 0.064 Uiso 1 1 calc R . . H67B H 0.8867 0.5531 0.3339 0.064 Uiso 1 1 calc R . . H67C H 0.8494 0.4574 0.3385 0.064 Uiso 1 1 calc R . . C68 C 1.1291(3) 0.4032(2) 0.30633(13) 0.0283(8) Uani 1 1 d . . . H68A H 1.0768 0.4176 0.3400 0.042 Uiso 1 1 calc R . . H68B H 1.1953 0.4319 0.3054 0.042 Uiso 1 1 calc R . . H68C H 1.1527 0.3386 0.3072 0.042 Uiso 1 1 calc R . . C69 C 1.1859(3) 0.2895(2) 0.18442(15) 0.0309(9) Uani 1 1 d . . . H69A H 1.1618 0.2436 0.2128 0.046 Uiso 1 1 calc R . . H69B H 1.2602 0.3001 0.1905 0.046 Uiso 1 1 calc R . . H69C H 1.1898 0.2696 0.1468 0.046 Uiso 1 1 calc R . . C70 C 0.9239(4) 0.3001(3) 0.26586(16) 0.0438(11) Uani 1 1 d . . . H70A H 0.8716 0.3185 0.2988 0.066 Uiso 1 1 calc R . . H70B H 0.9898 0.2601 0.2783 0.066 Uiso 1 1 calc R . . H70C H 0.8863 0.2692 0.2424 0.066 Uiso 1 1 calc R . . B12 B 0.9422(4) 0.5139(3) 0.13507(16) 0.0275(10) Uani 1 1 d . . . B13 B 0.9135(3) 0.5730(3) 0.19635(16) 0.0295(10) Uani 1 1 d . . . B14 B 1.0378(3) 0.5531(3) 0.23088(15) 0.0230(9) Uani 1 1 d . . . B15 B 1.1442(3) 0.4826(2) 0.18994(15) 0.0220(9) Uani 1 1 d . . . B16 B 1.0848(3) 0.4590(2) 0.13024(15) 0.0215(8) Uani 1 1 d . . . B17 B 0.9733(3) 0.3990(3) 0.15517(15) 0.0231(9) Uani 1 1 d . . . B18 B 0.8665(3) 0.4693(3) 0.19671(17) 0.0316(10) Uani 1 1 d . . . B19 B 0.9254(3) 0.4941(3) 0.25613(16) 0.0273(9) Uani 1 1 d . . . B20 B 1.0681(3) 0.4380(3) 0.25158(15) 0.0217(9) Uani 1 1 d . . . B21 B 1.0973(3) 0.3796(2) 0.18957(15) 0.0184(8) Uani 1 1 d . . . B22 B 0.9628(3) 0.3851(3) 0.23046(16) 0.0260(9) Uani 1 1 d . . . Cl1 Cl 0.87114(7) 0.11144(6) 0.05510(4) 0.0309(2) Uani 1 1 d . . . Cl2 Cl 0.88325(8) 0.26620(7) -0.02607(4) 0.0422(3) Uani 1 1 d . . . C71 C 0.8000(3) 0.2155(2) 0.02982(16) 0.0337(9) Uani 1 1 d . . . H71B H 0.7805 0.2549 0.0608 0.040 Uiso 1 1 calc R . . H71A H 0.7291 0.2074 0.0167 0.040 Uiso 1 1 calc R . . Cl3 Cl 0.63865(9) 0.23237(7) 0.49873(4) 0.0423(3) Uani 1 1 d . . . Cl4 Cl 0.64116(8) 0.39432(6) 0.42456(4) 0.0343(2) Uani 1 1 d . . . C72 C 0.7220(3) 0.2958(2) 0.45173(15) 0.0303(9) Uani 1 1 d . . . H72A H 0.7589 0.2603 0.4203 0.036 Uiso 1 1 calc R . . H72B H 0.7816 0.3111 0.4712 0.036 Uiso 1 1 calc R . . Cl5 Cl 1.01885(8) 0.13615(9) 0.66238(4) 0.0554(3) Uani 1 1 d D . . Cl6 Cl 0.79627(8) 0.23749(7) 0.64907(4) 0.0421(3) Uani 1 1 d D . . C73 C 0.8744(3) 0.1481(3) 0.68583(19) 0.0568(13) Uani 1 1 d D . . H73A H 0.8468 0.0926 0.6812 0.068 Uiso 1 1 calc R . . H73B H 0.8622 0.1572 0.7264 0.068 Uiso 1 1 calc R . . Cl7 Cl 0.72892(15) 0.23129(18) 0.84048(13) 0.0512(7) Uani 0.755(6) 1 d PD A 1 Cl8 Cl 0.5000(4) 0.3138(2) 0.8291(2) 0.0328(7) Uani 0.755(6) 1 d PD A 1 C74 C 0.6400(6) 0.2971(10) 0.7953(3) 0.0311(14) Uani 0.755(6) 1 d PD A 1 H74A H 0.6432 0.2674 0.7605 0.037 Uiso 0.755(6) 1 calc PR A 1 H74B H 0.6653 0.3551 0.7847 0.037 Uiso 0.755(6) 1 calc PR A 1 Cl7A Cl 0.7262(6) 0.2596(5) 0.8636(4) 0.0512(7) Uani 0.245(6) 1 d PD A 2 Cl8A Cl 0.4985(15) 0.3338(9) 0.8322(8) 0.0328(7) Uani 0.245(6) 1 d PD A 2 C74A C 0.6416(19) 0.293(4) 0.8094(9) 0.0311(14) Uani 0.245(6) 1 d PD A 2 H74C H 0.6449 0.2423 0.7871 0.037 Uiso 0.245(6) 1 calc PR A 2 H74D H 0.6733 0.3405 0.7842 0.037 Uiso 0.245(6) 1 calc PR A 2 loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 N1 0.0134(13) 0.0163(14) 0.0151(13) -0.0005(11) 0.0015(11) -0.0003(11) N2 0.0159(14) 0.0139(14) 0.0205(14) -0.0018(11) -0.0014(11) 0.0002(11) C1 0.032(2) 0.032(2) 0.0228(19) -0.0054(16) -0.0005(16) -0.0065(17) C2 0.041(2) 0.049(3) 0.022(2) 0.0000(18) 0.0050(17) -0.012(2) C3 0.028(2) 0.043(2) 0.028(2) 0.0095(17) -0.0013(16) -0.0112(18) C4 0.0231(19) 0.029(2) 0.032(2) 0.0008(16) -0.0069(16) -0.0072(16) C5 0.0194(17) 0.026(2) 0.0182(17) 0.0003(14) 0.0006(14) -0.0006(15) C6 0.0150(16) 0.0194(18) 0.0166(16) 0.0025(13) -0.0013(13) 0.0041(13) C7 0.0153(16) 0.0183(18) 0.0171(16) -0.0043(13) 0.0037(13) 0.0011(13) C8 0.0112(15) 0.0153(17) 0.0170(16) -0.0007(13) 0.0007(12) -0.0032(13) C9 0.0154(16) 0.0147(17) 0.0138(15) -0.0026(12) 0.0010(13) -0.0043(13) C10 0.0145(16) 0.0171(17) 0.0169(16) -0.0012(13) -0.0026(13) -0.0042(13) C11 0.0118(15) 0.0101(16) 0.0207(16) -0.0004(13) -0.0001(13) -0.0043(12) C12 0.0176(16) 0.0141(17) 0.0157(16) -0.0020(13) 0.0004(13) -0.0043(13) C13 0.0139(16) 0.0197(18) 0.0140(16) 0.0016(13) -0.0031(13) -0.0044(13) C14 0.0190(17) 0.0155(18) 0.0228(18) -0.0046(14) 0.0010(14) 0.0011(14) C15 0.0152(16) 0.0119(17) 0.0265(18) -0.0053(13) -0.0022(14) 0.0032(13) C16 0.0250(19) 0.0196(19) 0.0283(19) -0.0026(15) -0.0015(15) -0.0040(15) C17 0.029(2) 0.022(2) 0.042(2) 0.0017(17) -0.0020(17) -0.0039(16) C18 0.024(2) 0.021(2) 0.051(2) -0.0058(17) -0.0079(18) -0.0024(16) C19 0.034(2) 0.025(2) 0.038(2) -0.0135(17) -0.0110(18) -0.0030(17) C20 0.0263(19) 0.0227(19) 0.0258(19) -0.0071(15) 0.0011(15) -0.0016(15) C21 0.0129(16) 0.0200(18) 0.0198(17) -0.0011(13) -0.0049(13) 0.0003(13) C22 0.0163(16) 0.0179(18) 0.0208(17) 0.0009(13) -0.0028(13) -0.0008(14) C23 0.0214(17) 0.0160(18) 0.0193(17) 0.0029(13) -0.0021(14) 0.0016(14) N3 0.0144(13) 0.0141(14) 0.0152(13) 0.0008(11) -0.0007(11) -0.0019(11) N4 0.0160(14) 0.0135(14) 0.0162(13) -0.0008(11) -0.0021(11) -0.0007(11) C24 0.0259(19) 0.024(2) 0.0219(18) -0.0020(15) -0.0010(15) 0.0003(15) C25 0.028(2) 0.032(2) 0.0206(18) 0.0027(15) 0.0070(15) -0.0013(16) C26 0.0222(19) 0.035(2) 0.030(2) 0.0086(16) -0.0008(16) -0.0109(16) C27 0.0240(18) 0.026(2) 0.029(2) 0.0017(15) -0.0067(15) -0.0104(15) C28 0.0191(17) 0.026(2) 0.0196(17) -0.0009(14) -0.0024(14) -0.0039(15) C29 0.0086(15) 0.0199(18) 0.0187(17) 0.0034(13) -0.0024(13) 0.0012(13) C30 0.0191(17) 0.0187(18) 0.0164(16) -0.0037(13) -0.0001(13) -0.0004(14) C31 0.0102(15) 0.0130(16) 0.0176(16) -0.0003(12) -0.0004(12) -0.0033(13) C32 0.0175(16) 0.0173(17) 0.0139(16) -0.0014(13) -0.0001(13) -0.0069(13) C33 0.0151(16) 0.0162(17) 0.0133(16) 0.0021(12) -0.0024(13) -0.0068(13) C34 0.0137(16) 0.0135(17) 0.0185(16) -0.0012(13) 0.0009(13) -0.0048(13) C35 0.0165(16) 0.0188(18) 0.0134(16) -0.0042(13) 0.0032(13) -0.0067(14) C36 0.0192(17) 0.0166(17) 0.0122(15) -0.0005(13) -0.0012(13) -0.0057(14) C37 0.0209(17) 0.0160(18) 0.0214(17) -0.0057(14) 0.0031(14) 0.0011(14) C38 0.0236(18) 0.0153(18) 0.0226(18) -0.0040(14) -0.0040(14) 0.0016(14) C39 0.035(2) 0.023(2) 0.029(2) 0.0013(15) -0.0084(16) -0.0069(16) C40 0.038(2) 0.027(2) 0.049(3) 0.0089(18) -0.0107(19) -0.0148(18) C41 0.033(2) 0.022(2) 0.066(3) -0.0080(19) -0.024(2) -0.0053(17) C42 0.037(2) 0.040(2) 0.045(2) -0.021(2) -0.016(2) -0.0001(19) C43 0.030(2) 0.033(2) 0.028(2) -0.0098(16) -0.0041(16) 0.0031(17) C44 0.0158(16) 0.0197(18) 0.0195(17) 0.0011(13) -0.0046(13) -0.0006(14) C45 0.0162(16) 0.0235(19) 0.0166(16) 0.0014(13) -0.0034(13) -0.0014(14) C46 0.0193(17) 0.0166(18) 0.0183(17) 0.0036(13) -0.0016(13) -0.0003(14) C47 0.0218(18) 0.0196(18) 0.0184(17) -0.0031(13) -0.0021(14) 0.0001(14) C48 0.032(2) 0.023(2) 0.0251(19) -0.0058(15) -0.0053(16) 0.0007(16) C49 0.045(2) 0.022(2) 0.0253(19) -0.0005(15) -0.0074(17) 0.0029(17) C50 0.0251(19) 0.031(2) 0.0212(18) -0.0038(15) -0.0016(15) -0.0012(16) C51 0.047(2) 0.032(2) 0.033(2) 0.0026(17) -0.0048(18) -0.0147(19) C52 0.041(2) 0.036(2) 0.033(2) -0.0021(17) -0.0089(18) -0.0144(19) C53 0.036(2) 0.043(2) 0.027(2) -0.0134(17) 0.0016(17) 0.0050(19) C54 0.040(2) 0.044(2) 0.028(2) -0.0007(17) 0.0012(17) -0.0198(19) C55 0.037(2) 0.037(2) 0.028(2) -0.0062(17) -0.0029(17) -0.0158(18) C56 0.041(2) 0.027(2) 0.027(2) -0.0039(16) -0.0124(17) 0.0015(17) C57 0.055(3) 0.025(2) 0.043(2) -0.0059(18) -0.019(2) 0.0062(19) C58 0.027(2) 0.056(3) 0.038(2) -0.011(2) -0.0032(17) 0.0007(19) B1 0.025(2) 0.016(2) 0.0190(19) -0.0058(15) -0.0019(16) -0.0005(16) B2 0.029(2) 0.016(2) 0.0168(19) -0.0030(15) -0.0037(16) -0.0006(17) B3 0.023(2) 0.017(2) 0.0171(19) -0.0003(15) -0.0036(16) -0.0020(16) B4 0.026(2) 0.021(2) 0.023(2) -0.0027(16) -0.0049(17) -0.0042(17) B5 0.028(2) 0.018(2) 0.025(2) -0.0042(16) -0.0045(17) -0.0040(17) B6 0.026(2) 0.020(2) 0.024(2) -0.0050(16) -0.0035(17) 0.0033(17) B7 0.023(2) 0.029(2) 0.0160(19) -0.0029(16) 0.0012(16) -0.0058(17) B8 0.024(2) 0.021(2) 0.0184(19) -0.0036(16) -0.0009(16) -0.0027(17) B9 0.029(2) 0.016(2) 0.023(2) -0.0031(16) -0.0050(17) 0.0011(17) B10 0.032(2) 0.019(2) 0.022(2) -0.0038(16) -0.0065(17) 0.0026(17) B11 0.024(2) 0.031(2) 0.020(2) -0.0059(17) -0.0003(17) -0.0004(18) C59 0.043(2) 0.0145(18) 0.0161(17) -0.0033(13) -0.0037(15) 0.0029(16) C60 0.067(3) 0.040(3) 0.026(2) -0.0109(18) -0.022(2) 0.020(2) C61 0.068(3) 0.047(3) 0.037(2) -0.019(2) -0.018(2) 0.034(2) C62 0.046(2) 0.028(2) 0.027(2) -0.0085(16) 0.0041(17) -0.0073(18) C63 0.033(2) 0.041(2) 0.035(2) -0.0145(18) 0.0062(17) -0.0156(18) C64 0.044(2) 0.028(2) 0.0204(19) -0.0076(15) -0.0001(16) -0.0009(17) C65 0.037(2) 0.039(2) 0.034(2) -0.0065(17) -0.0113(18) -0.0086(18) C66 0.024(2) 0.120(5) 0.049(3) -0.037(3) -0.006(2) 0.002(3) C67 0.032(2) 0.073(3) 0.024(2) -0.013(2) 0.0020(17) -0.011(2) C68 0.037(2) 0.028(2) 0.0218(18) 0.0005(15) -0.0096(16) -0.0071(17) C69 0.039(2) 0.023(2) 0.032(2) -0.0058(16) -0.0148(17) 0.0016(17) C70 0.056(3) 0.053(3) 0.031(2) 0.0034(19) -0.007(2) -0.036(2) B12 0.036(2) 0.025(2) 0.019(2) -0.0112(17) -0.0077(18) 0.0106(19) B13 0.033(2) 0.036(3) 0.015(2) -0.0110(17) -0.0048(17) 0.0128(19) B14 0.028(2) 0.024(2) 0.0139(19) -0.0048(16) 0.0018(16) 0.0028(17) B15 0.032(2) 0.017(2) 0.0174(19) -0.0033(15) -0.0021(17) -0.0032(17) B16 0.027(2) 0.017(2) 0.0185(19) -0.0026(15) -0.0037(16) 0.0017(17) B17 0.026(2) 0.026(2) 0.0165(19) -0.0015(16) -0.0107(16) 0.0020(17) B18 0.027(2) 0.047(3) 0.022(2) -0.0107(19) -0.0056(18) -0.001(2) B19 0.020(2) 0.045(3) 0.016(2) -0.0064(18) -0.0004(16) -0.0054(19) B20 0.027(2) 0.025(2) 0.0151(19) 0.0010(16) -0.0060(16) -0.0085(17) B21 0.021(2) 0.019(2) 0.0153(18) 0.0005(15) -0.0037(15) -0.0034(16) B22 0.027(2) 0.034(2) 0.021(2) 0.0034(17) -0.0066(17) -0.0145(19) Cl1 0.0248(5) 0.0305(5) 0.0362(5) -0.0033(4) -0.0056(4) 0.0007(4) Cl2 0.0372(6) 0.0399(6) 0.0443(6) 0.0036(5) -0.0005(5) 0.0001(5) C71 0.0238(19) 0.026(2) 0.049(2) -0.0064(17) -0.0020(17) 0.0011(16) Cl3 0.0491(6) 0.0358(6) 0.0384(6) 0.0016(4) 0.0058(5) -0.0089(5) Cl4 0.0316(5) 0.0279(5) 0.0432(6) 0.0012(4) -0.0101(4) -0.0028(4) C72 0.0247(19) 0.025(2) 0.042(2) -0.0016(17) -0.0065(17) -0.0039(16) Cl5 0.0335(6) 0.0948(9) 0.0298(5) 0.0123(5) 0.0038(4) -0.0055(6) Cl6 0.0380(6) 0.0448(6) 0.0457(6) 0.0074(5) -0.0095(5) -0.0167(5) C73 0.032(2) 0.067(3) 0.062(3) 0.022(2) 0.001(2) -0.006(2) Cl7 0.0393(7) 0.0518(14) 0.0644(16) 0.0277(11) -0.0221(10) -0.0207(8) Cl8 0.0374(6) 0.028(2) 0.0272(8) 0.0025(14) 0.0044(5) 0.0020(13) C74 0.035(2) 0.034(3) 0.026(4) 0.000(5) -0.001(3) -0.0156(19) Cl7A 0.0393(7) 0.0518(14) 0.0644(16) 0.0277(11) -0.0221(10) -0.0207(8) Cl8A 0.0374(6) 0.028(2) 0.0272(8) 0.0025(14) 0.0044(5) 0.0020(13) C74A 0.035(2) 0.034(3) 0.026(4) 0.000(5) -0.001(3) -0.0156(19) _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 N1 C8 1.352(4) . ? N1 C7 1.467(4) . ? N1 C21 1.468(4) . ? N2 C11 1.356(4) . ? N2 C23 1.464(4) . ? N2 C14 1.474(4) . ? C1 C2 1.377(5) . ? C1 C6 1.400(4) . ? C1 H1 0.9500 . ? C2 C3 1.378(5) . ? C2 H2 0.9500 . ? C3 C4 1.385(5) . ? C3 H3 0.9500 . ? C4 C5 1.382(5) . ? C4 H4 0.9500 . ? C5 C6 1.372(4) . ? C5 H5 0.9500 . ? C6 C7 1.519(4) . ? C7 H7A 0.9900 . ? C7 H7B 0.9900 . ? C8 C13 1.422(4) . ? C8 C9 1.430(4) . ? C9 C10 1.358(4) . ? C9 H9 0.9500 . ? C10 C11 1.422(4) . ? C10 H10 0.9500 . ? C11 C12 1.417(4) . ? C12 C13 1.362(4) . ? C12 H12 0.9500 . ? C13 H13 0.9500 . ? C14 C15 1.509(4) . ? C14 H14B 0.9900 . ? C14 H14A 0.9900 . ? C15 C16 1.391(4) . ? C15 C20 1.392(4) . ? C16 C17 1.390(5) . ? C16 H16 0.9500 . ? C17 C18 1.386(5) . ? C17 H17 0.9500 . ? C18 C19 1.378(5) . ? C18 H18 0.9500 . ? C19 C20 1.383(5) . ? C19 H19 0.9500 . ? C20 H20 0.9500 . ? C21 C22 1.524(4) . ? C21 H21B 0.9900 . ? C21 H21A 0.9900 . ? C22 C23 1.528(4) 2_657 ? C22 H22B 0.9900 . ? C22 H22A 0.9900 . ? C23 C22 1.528(4) 2_657 ? C23 H23A 0.9900 . ? C23 H23B 0.9900 . ? N3 C31 1.346(4) . ? N3 C30 1.471(4) . ? N3 C44 1.477(4) . ? N4 C34 1.351(4) . ? N4 C46 1.463(4) . ? N4 C37 1.473(4) . ? C24 C25 1.382(5) . ? C24 C29 1.388(4) . ? C24 H24 0.9500 . ? C25 C26 1.388(5) . ? C25 H25 0.9500 . ? C26 C27 1.375(5) . ? C26 H26 0.9500 . ? C27 C28 1.386(4) . ? C27 H27 0.9500 . ? C28 C29 1.391(4) . ? C28 H28 0.9500 . ? C29 C30 1.516(4) . ? C30 H30A 0.9900 . ? C30 H30B 0.9900 . ? C31 C36 1.421(4) . ? C31 C32 1.431(4) . ? C32 C33 1.367(4) . ? C32 H32 0.9500 . ? C33 C34 1.421(4) . ? C33 H33 0.9500 . ? C34 C35 1.430(4) . ? C35 C36 1.356(4) . ? C35 H35 0.9500 . ? C36 H36 0.9500 . ? C37 C38 1.509(4) . ? C37 H37B 0.9900 . ? C37 H37A 0.9900 . ? C38 C43 1.385(4) . ? C38 C39 1.389(5) . ? C39 C40 1.378(5) . ? C39 H39 0.9500 . ? C40 C41 1.377(5) . ? C40 H40 0.9500 . ? C41 C42 1.371(6) . ? C41 H41 0.9500 . ? C42 C43 1.387(5) . ? C42 H42 0.9500 . ? C43 H43 0.9500 . ? C44 C45 1.522(4) . ? C44 H44B 0.9900 . ? C44 H44A 0.9900 . ? C45 C46 1.534(4) 2_766 ? C45 H45B 0.9900 . ? C45 H45A 0.9900 . ? C46 C45 1.534(4) 2_766 ? C46 H46A 0.9900 . ? C46 H46B 0.9900 . ? C47 B5 1.699(5) . ? C47 B3 1.703(5) . ? C47 B4 1.714(5) . ? C47 B2 1.718(5) . ? C47 B1 1.718(5) . ? C47 H47 1.1200 . ? C48 B1 1.586(5) . ? C48 H48A 0.9800 . ? C48 H48B 0.9800 . ? C48 H48C 0.9800 . ? C49 B2 1.587(5) . ? C49 H49A 0.9800 . ? C49 H49B 0.9800 . ? C49 H49C 0.9800 . ? C50 B3 1.599(5) . ? C50 H50A 0.9800 . ? C50 H50B 0.9800 . ? C50 H50C 0.9800 . ? C51 B4 1.592(5) . ? C51 H51A 0.9800 . ? C51 H51B 0.9800 . ? C51 H51C 0.9800 . ? C52 B5 1.582(5) . ? C52 H52A 0.9800 . ? C52 H52B 0.9800 . ? C52 H52C 0.9800 . ? C53 B6 1.599(5) . ? C53 H53A 0.9800 . ? C53 H53B 0.9800 . ? C53 H53C 0.9800 . ? C54 B7 1.590(5) . ? C54 H54A 0.9800 . ? C54 H54B 0.9800 . ? C54 H54C 0.9800 . ? C55 B8 1.596(5) . ? C55 H55A 0.9800 . ? C55 H55B 0.9800 . ? C55 H55C 0.9800 . ? C56 B9 1.601(5) . ? C56 H56A 0.9800 . ? C56 H56B 0.9800 . ? C56 H56C 0.9800 . ? C57 B10 1.601(5) . ? C57 H57A 0.9800 . ? C57 H57B 0.9800 . ? C57 H57C 0.9800 . ? C58 B11 1.605(5) . ? C58 H58A 0.9800 . ? C58 H58B 0.9800 . ? C58 H58C 0.9800 . ? B1 B6 1.774(5) . ? B1 B7 1.779(5) . ? B1 B2 1.784(5) . ? B1 B5 1.790(5) . ? B2 B8 1.768(5) . ? B2 B7 1.771(5) . ? B2 B3 1.788(5) . ? B3 B9 1.765(5) . ? B3 B8 1.772(5) . ? B3 B4 1.777(5) . ? B4 B10 1.771(6) . ? B4 B9 1.772(5) . ? B4 B5 1.793(5) . ? B5 B6 1.766(6) . ? B5 B10 1.777(5) . ? B6 B10 1.795(5) . ? B6 B11 1.795(5) . ? B6 B7 1.807(6) . ? B7 B8 1.776(5) . ? B7 B11 1.787(5) . ? B8 B11 1.777(5) . ? B8 B9 1.783(5) . ? B9 B11 1.772(5) . ? B9 B10 1.780(5) . ? B10 B11 1.793(6) . ? C59 B15 1.704(5) . ? C59 B16 1.706(5) . ? C59 B14 1.710(5) . ? C59 B13 1.712(5) . ? C59 B12 1.716(5) . ? C59 H59 1.1200 . ? C60 B12 1.591(5) . ? C60 H60A 0.9800 . ? C60 H60C 0.9800 . ? C60 H60B 0.9800 . ? C61 B13 1.590(5) . ? C61 H61A 0.9800 . ? C61 H61B 0.9800 . ? C61 H61C 0.9800 . ? C62 B14 1.587(5) . ? C62 H62A 0.9800 . ? C62 H62B 0.9800 . ? C62 H62C 0.9800 . ? C63 B15 1.586(5) . ? C63 H63A 0.9800 . ? C63 H63B 0.9800 . ? C63 H63C 0.9800 . ? C64 B16 1.584(5) . ? C64 H64A 0.9800 . ? C64 H64B 0.9800 . ? C64 H64C 0.9800 . ? C65 B17 1.596(5) . ? C65 H65A 0.9800 . ? C65 H65B 0.9800 . ? C65 H65C 0.9800 . ? C66 B18 1.591(6) . ? C66 H66A 0.9800 . ? C66 H66B 0.9800 . ? C66 H66C 0.9800 . ? C67 B19 1.592(5) . ? C67 H67A 0.9800 . ? C67 H67B 0.9800 . ? C67 H67C 0.9800 . ? C68 B20 1.597(4) . ? C68 H68A 0.9800 . ? C68 H68B 0.9800 . ? C68 H68C 0.9800 . ? C69 B21 1.601(5) . ? C69 H69A 0.9800 . ? C69 H69B 0.9800 . ? C69 H69C 0.9800 . ? C70 B22 1.585(5) . ? C70 H70A 0.9800 . ? C70 H70B 0.9800 . ? C70 H70C 0.9800 . ? B12 B17 1.765(6) . ? B12 B18 1.772(6) . ? B12 B13 1.780(5) . ? B12 B16 1.784(5) . ? B13 B19 1.782(6) . ? B13 B18 1.783(6) . ? B13 B14 1.788(5) . ? B14 B20 1.770(5) . ? B14 B19 1.774(6) . ? B14 B15 1.792(5) . ? B15 B21 1.774(5) . ? B15 B20 1.775(5) . ? B15 B16 1.794(5) . ? B16 B17 1.771(6) . ? B16 B21 1.777(5) . ? B17 B21 1.783(5) . ? B17 B22 1.793(5) . ? B17 B18 1.800(6) . ? B18 B22 1.789(6) . ? B18 B19 1.790(5) . ? B19 B20 1.790(5) . ? B19 B22 1.808(6) . ? B20 B22 1.788(5) . ? B20 B21 1.788(5) . ? B21 B22 1.782(5) . ? Cl1 C71 1.764(4) . yes Cl2 C71 1.765(4) . yes C71 H71B 0.9900 . ? C71 H71A 0.9900 . ? Cl3 C72 1.745(4) . yes Cl4 C72 1.766(3) . yes C72 H72A 0.9900 . ? C72 H72B 0.9900 . ? Cl5 C73 1.754(4) . yes Cl6 C73 1.753(4) . yes C73 H73A 0.9900 . ? C73 H73B 0.9900 . ? Cl7 C74 1.753(6) . yes Cl8 C74 1.771(6) . yes C74 H74A 0.9900 . ? C74 H74B 0.9900 . ? Cl7A C74A 1.751(15) . yes Cl8A C74A 1.774(15) . yes C74A H74C 0.9900 . ? C74A H74D 0.9900 . ? 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 C8 N1 C7 120.5(2) . . ? C8 N1 C21 124.1(2) . . ? C7 N1 C21 114.9(2) . . ? C11 N2 C23 123.4(3) . . ? C11 N2 C14 119.8(2) . . ? C23 N2 C14 116.6(2) . . ? C2 C1 C6 120.1(3) . . ? C2 C1 H1 119.9 . . ? C6 C1 H1 119.9 . . ? C1 C2 C3 120.4(3) . . ? C1 C2 H2 119.8 . . ? C3 C2 H2 119.8 . . ? C2 C3 C4 119.7(3) . . ? C2 C3 H3 120.1 . . ? C4 C3 H3 120.1 . . ? C5 C4 C3 119.8(3) . . ? C5 C4 H4 120.1 . . ? C3 C4 H4 120.1 . . ? C6 C5 C4 121.0(3) . . ? C6 C5 H5 119.5 . . ? C4 C5 H5 119.5 . . ? C5 C6 C1 119.0(3) . . ? C5 C6 C7 123.8(3) . . ? C1 C6 C7 117.2(3) . . ? N1 C7 C6 114.8(3) . . ? N1 C7 H7A 108.6 . . ? C6 C7 H7A 108.6 . . ? N1 C7 H7B 108.6 . . ? C6 C7 H7B 108.6 . . ? H7A C7 H7B 107.5 . . ? N1 C8 C13 122.6(3) . . ? N1 C8 C9 120.8(3) . . ? C13 C8 C9 116.5(3) . . ? C10 C9 C8 121.4(3) . . ? C10 C9 H9 119.3 . . ? C8 C9 H9 119.3 . . ? C9 C10 C11 121.6(3) . . ? C9 C10 H10 119.2 . . ? C11 C10 H10 119.2 . . ? N2 C11 C12 119.9(3) . . ? N2 C11 C10 123.3(3) . . ? C12 C11 C10 116.8(3) . . ? C13 C12 C11 121.6(3) . . ? C13 C12 H12 119.2 . . ? C11 C12 H12 119.2 . . ? C12 C13 C8 121.5(3) . . ? C12 C13 H13 119.2 . . ? C8 C13 H13 119.2 . . ? N2 C14 C15 114.0(3) . . ? N2 C14 H14B 108.7 . . ? C15 C14 H14B 108.7 . . ? N2 C14 H14A 108.7 . . ? C15 C14 H14A 108.7 . . ? H14B C14 H14A 107.6 . . ? C16 C15 C20 118.3(3) . . ? C16 C15 C14 121.8(3) . . ? C20 C15 C14 119.8(3) . . ? C17 C16 C15 120.7(3) . . ? C17 C16 H16 119.7 . . ? C15 C16 H16 119.7 . . ? C18 C17 C16 120.0(3) . . ? C18 C17 H17 120.0 . . ? C16 C17 H17 120.0 . . ? C19 C18 C17 119.7(3) . . ? C19 C18 H18 120.1 . . ? C17 C18 H18 120.1 . . ? C18 C19 C20 120.2(3) . . ? C18 C19 H19 119.9 . . ? C20 C19 H19 119.9 . . ? C19 C20 C15 121.0(3) . . ? C19 C20 H20 119.5 . . ? C15 C20 H20 119.5 . . ? N1 C21 C22 114.0(2) . . ? N1 C21 H21B 108.7 . . ? C22 C21 H21B 108.7 . . ? N1 C21 H21A 108.7 . . ? C22 C21 H21A 108.7 . . ? H21B C21 H21A 107.6 . . ? C21 C22 C23 115.3(3) . 2_657 ? C21 C22 H22B 108.5 . . ? C23 C22 H22B 108.5 2_657 . ? C21 C22 H22A 108.5 . . ? C23 C22 H22A 108.5 2_657 . ? H22B C22 H22A 107.5 . . ? N2 C23 C22 112.8(2) . 2_657 ? N2 C23 H23A 109.0 . . ? C22 C23 H23A 109.0 2_657 . ? N2 C23 H23B 109.0 . . ? C22 C23 H23B 109.0 2_657 . ? H23A C23 H23B 107.8 . . ? C31 N3 C30 120.7(2) . . ? C31 N3 C44 124.3(2) . . ? C30 N3 C44 114.2(2) . . ? C34 N4 C46 123.5(2) . . ? C34 N4 C37 120.1(2) . . ? C46 N4 C37 116.1(2) . . ? C25 C24 C29 120.5(3) . . ? C25 C24 H24 119.7 . . ? C29 C24 H24 119.7 . . ? C24 C25 C26 120.4(3) . . ? C24 C25 H25 119.8 . . ? C26 C25 H25 119.8 . . ? C27 C26 C25 119.3(3) . . ? C27 C26 H26 120.4 . . ? C25 C26 H26 120.4 . . ? C26 C27 C28 120.7(3) . . ? C26 C27 H27 119.7 . . ? C28 C27 H27 119.7 . . ? C27 C28 C29 120.3(3) . . ? C27 C28 H28 119.9 . . ? C29 C28 H28 119.9 . . ? C24 C29 C28 118.8(3) . . ? C24 C29 C30 118.0(3) . . ? C28 C29 C30 123.2(3) . . ? N3 C30 C29 114.1(3) . . ? N3 C30 H30A 108.7 . . ? C29 C30 H30A 108.7 . . ? N3 C30 H30B 108.7 . . ? C29 C30 H30B 108.7 . . ? H30A C30 H30B 107.6 . . ? N3 C31 C36 122.7(3) . . ? N3 C31 C32 120.8(3) . . ? C36 C31 C32 116.5(3) . . ? C33 C32 C31 121.5(3) . . ? C33 C32 H32 119.3 . . ? C31 C32 H32 119.3 . . ? C32 C33 C34 121.4(3) . . ? C32 C33 H33 119.3 . . ? C34 C33 H33 119.3 . . ? N4 C34 C33 123.3(3) . . ? N4 C34 C35 119.8(3) . . ? C33 C34 C35 116.9(3) . . ? C36 C35 C34 121.4(3) . . ? C36 C35 H35 119.3 . . ? C34 C35 H35 119.3 . . ? C35 C36 C31 122.0(3) . . ? C35 C36 H36 119.0 . . ? C31 C36 H36 119.0 . . ? N4 C37 C38 113.3(3) . . ? N4 C37 H37B 108.9 . . ? C38 C37 H37B 108.9 . . ? N4 C37 H37A 108.9 . . ? C38 C37 H37A 108.9 . . ? H37B C37 H37A 107.7 . . ? C43 C38 C39 119.0(3) . . ? C43 C38 C37 119.3(3) . . ? C39 C38 C37 121.6(3) . . ? C40 C39 C38 120.5(3) . . ? C40 C39 H39 119.8 . . ? C38 C39 H39 119.8 . . ? C41 C40 C39 120.0(4) . . ? C41 C40 H40 120.0 . . ? C39 C40 H40 120.0 . . ? C42 C41 C40 120.2(4) . . ? C42 C41 H41 119.9 . . ? C40 C41 H41 119.9 . . ? C41 C42 C43 120.0(4) . . ? C41 C42 H42 120.0 . . ? C43 C42 H42 120.0 . . ? C38 C43 C42 120.3(4) . . ? C38 C43 H43 119.9 . . ? C42 C43 H43 119.9 . . ? N3 C44 C45 113.8(2) . . ? N3 C44 H44B 108.8 . . ? C45 C44 H44B 108.8 . . ? N3 C44 H44A 108.8 . . ? C45 C44 H44A 108.8 . . ? H44B C44 H44A 107.7 . . ? C44 C45 C46 114.7(3) . 2_766 ? C44 C45 H45B 108.6 . . ? C46 C45 H45B 108.6 2_766 . ? C44 C45 H45A 108.6 . . ? C46 C45 H45A 108.6 2_766 . ? H45B C45 H45A 107.6 . . ? N4 C46 C45 112.1(2) . 2_766 ? N4 C46 H46A 109.2 . . ? C45 C46 H46A 109.2 2_766 . ? N4 C46 H46B 109.2 . . ? C45 C46 H46B 109.2 2_766 . ? H46A C46 H46B 107.9 . . ? B5 C47 B3 115.2(2) . . ? B5 C47 B4 63.4(2) . . ? B3 C47 B4 62.7(2) . . ? B5 C47 B2 115.2(3) . . ? B3 C47 B2 63.0(2) . . ? B4 C47 B2 115.4(2) . . ? B5 C47 B1 63.2(2) . . ? B3 C47 B1 115.0(3) . . ? B4 C47 B1 115.9(3) . . ? B2 C47 B1 62.5(2) . . ? B5 C47 H47 117.1 . . ? B3 C47 H47 117.6 . . ? B4 C47 H47 117.0 . . ? B2 C47 H47 117.5 . . ? B1 C47 H47 117.3 . . ? B1 C48 H48A 109.5 . . ? B1 C48 H48B 109.5 . . ? H48A C48 H48B 109.5 . . ? B1 C48 H48C 109.5 . . ? H48A C48 H48C 109.5 . . ? H48B C48 H48C 109.5 . . ? B2 C49 H49A 109.5 . . ? B2 C49 H49B 109.5 . . ? H49A C49 H49B 109.5 . . ? B2 C49 H49C 109.5 . . ? H49A C49 H49C 109.5 . . ? H49B C49 H49C 109.5 . . ? B3 C50 H50A 109.5 . . ? B3 C50 H50B 109.5 . . ? H50A C50 H50B 109.5 . . ? B3 C50 H50C 109.5 . . ? H50A C50 H50C 109.5 . . ? H50B C50 H50C 109.5 . . ? B4 C51 H51A 109.5 . . ? B4 C51 H51B 109.5 . . ? H51A C51 H51B 109.5 . . ? B4 C51 H51C 109.5 . . ? H51A C51 H51C 109.5 . . ? H51B C51 H51C 109.5 . . ? B5 C52 H52A 109.5 . . ? B5 C52 H52B 109.5 . . ? H52A C52 H52B 109.5 . . ? B5 C52 H52C 109.5 . . ? H52A C52 H52C 109.5 . . ? H52B C52 H52C 109.5 . . ? B6 C53 H53A 109.5 . . ? B6 C53 H53B 109.5 . . ? H53A C53 H53B 109.5 . . ? B6 C53 H53C 109.5 . . ? H53A C53 H53C 109.5 . . ? H53B C53 H53C 109.5 . . ? B7 C54 H54A 109.5 . . ? B7 C54 H54B 109.5 . . ? H54A C54 H54B 109.5 . . ? B7 C54 H54C 109.5 . . ? H54A C54 H54C 109.5 . . ? H54B C54 H54C 109.5 . . ? B8 C55 H55A 109.5 . . ? B8 C55 H55B 109.5 . . ? H55A C55 H55B 109.5 . . ? B8 C55 H55C 109.5 . . ? H55A C55 H55C 109.5 . . ? H55B C55 H55C 109.5 . . ? B9 C56 H56A 109.5 . . ? B9 C56 H56B 109.5 . . ? H56A C56 H56B 109.5 . . ? B9 C56 H56C 109.5 . . ? H56A C56 H56C 109.5 . . ? H56B C56 H56C 109.5 . . ? B10 C57 H57A 109.5 . . ? B10 C57 H57B 109.5 . . ? H57A C57 H57B 109.5 . . ? B10 C57 H57C 109.5 . . ? H57A C57 H57C 109.5 . . ? H57B C57 H57C 109.5 . . ? B11 C58 H58A 109.5 . . ? B11 C58 H58B 109.5 . . ? H58A C58 H58B 109.5 . . ? B11 C58 H58C 109.5 . . ? H58A C58 H58C 109.5 . . ? H58B C58 H58C 109.5 . . ? C48 B1 C47 121.8(3) . . ? C48 B1 B6 125.4(3) . . ? C47 B1 B6 103.5(2) . . ? C48 B1 B7 125.2(3) . . ? C47 B1 B7 104.1(2) . . ? B6 B1 B7 61.1(2) . . ? C48 B1 B2 120.1(3) . . ? C47 B1 B2 58.7(2) . . ? B6 B1 B2 108.4(3) . . ? B7 B1 B2 59.6(2) . . ? C48 B1 B5 120.6(3) . . ? C47 B1 B5 57.9(2) . . ? B6 B1 B5 59.4(2) . . ? B7 B1 B5 108.2(3) . . ? B2 B1 B5 107.7(3) . . ? C49 B2 C47 121.0(3) . . ? C49 B2 B8 125.7(3) . . ? C47 B2 B8 103.9(2) . . ? C49 B2 B7 125.9(3) . . ? C47 B2 B7 104.4(3) . . ? B8 B2 B7 60.2(2) . . ? C49 B2 B1 120.2(3) . . ? C47 B2 B1 58.7(2) . . ? B8 B2 B1 108.1(3) . . ? B7 B2 B1 60.1(2) . . ? C49 B2 B3 120.0(3) . . ? C47 B2 B3 58.06(19) . . ? B8 B2 B3 59.8(2) . . ? B7 B2 B3 107.9(3) . . ? B1 B2 B3 107.8(3) . . ? C50 B3 C47 122.1(3) . . ? C50 B3 B9 124.7(3) . . ? C47 B3 B9 104.4(2) . . ? C50 B3 B8 124.6(3) . . ? C47 B3 B8 104.3(2) . . ? B9 B3 B8 60.6(2) . . ? C50 B3 B4 119.9(3) . . ? C47 B3 B4 58.97(19) . . ? B9 B3 B4 60.0(2) . . ? B8 B3 B4 108.8(3) . . ? C50 B3 B2 120.2(3) . . ? C47 B3 B2 58.89(19) . . ? B9 B3 B2 108.2(3) . . ? B8 B3 B2 59.5(2) . . ? B4 B3 B2 108.9(3) . . ? C51 B4 C47 121.7(3) . . ? C51 B4 B10 125.1(3) . . ? C47 B4 B10 103.9(3) . . ? C51 B4 B9 126.1(3) . . ? C47 B4 B9 103.7(3) . . ? B10 B4 B9 60.3(2) . . ? C51 B4 B3 121.0(3) . . ? C47 B4 B3 58.34(19) . . ? B10 B4 B3 107.9(3) . . ? B9 B4 B3 59.6(2) . . ? C51 B4 B5 120.2(3) . . ? C47 B4 B5 57.89(19) . . ? B10 B4 B5 59.8(2) . . ? B9 B4 B5 107.5(3) . . ? B3 B4 B5 107.1(3) . . ? C52 B5 C47 121.5(3) . . ? C52 B5 B6 124.9(3) . . ? C47 B5 B6 104.7(3) . . ? C52 B5 B10 125.0(3) . . ? C47 B5 B10 104.3(3) . . ? B6 B5 B10 60.9(2) . . ? C52 B5 B1 120.1(3) . . ? C47 B5 B1 58.9(2) . . ? B6 B5 B1 59.9(2) . . ? B10 B5 B1 108.5(3) . . ? C52 B5 B4 120.1(3) . . ? C47 B5 B4 58.7(2) . . ? B6 B5 B4 108.5(3) . . ? B10 B5 B4 59.5(2) . . ? B1 B5 B4 108.5(3) . . ? C53 B6 B5 121.6(3) . . ? C53 B6 B1 121.3(3) . . ? B5 B6 B1 60.7(2) . . ? C53 B6 B10 122.0(3) . . ? B5 B6 B10 59.9(2) . . ? B1 B6 B10 108.4(3) . . ? C53 B6 B11 122.5(3) . . ? B5 B6 B11 107.5(3) . . ? B1 B6 B11 107.3(3) . . ? B10 B6 B11 59.9(2) . . ? C53 B6 B7 121.8(3) . . ? B5 B6 B7 108.0(3) . . ? B1 B6 B7 59.6(2) . . ? B10 B6 B7 107.7(3) . . ? B11 B6 B7 59.5(2) . . ? C54 B7 B2 120.9(3) . . ? C54 B7 B8 123.4(3) . . ? B2 B7 B8 59.8(2) . . ? C54 B7 B1 119.7(3) . . ? B2 B7 B1 60.3(2) . . ? B8 B7 B1 108.0(3) . . ? C54 B7 B11 124.0(3) . . ? B2 B7 B11 107.5(3) . . ? B8 B7 B11 59.9(2) . . ? B1 B7 B11 107.4(3) . . ? C54 B7 B6 121.7(3) . . ? B2 B7 B6 107.5(3) . . ? B8 B7 B6 107.7(3) . . ? B1 B7 B6 59.3(2) . . ? B11 B7 B6 59.9(2) . . ? C55 B8 B2 120.6(3) . . ? C55 B8 B3 120.6(3) . . ? B2 B8 B3 60.7(2) . . ? C55 B8 B7 122.0(3) . . ? B2 B8 B7 60.0(2) . . ? B3 B8 B7 108.5(3) . . ? C55 B8 B11 123.2(3) . . ? B2 B8 B11 108.1(3) . . ? B3 B8 B11 107.4(3) . . ? B7 B8 B11 60.4(2) . . ? C55 B8 B9 121.8(3) . . ? B2 B8 B9 108.3(3) . . ? B3 B8 B9 59.5(2) . . ? B7 B8 B9 108.3(3) . . ? B11 B8 B9 59.7(2) . . ? C56 B9 B3 121.0(3) . . ? C56 B9 B4 121.0(3) . . ? B3 B9 B4 60.3(2) . . ? C56 B9 B11 122.2(3) . . ? B3 B9 B11 108.0(3) . . ? B4 B9 B11 108.5(3) . . ? C56 B9 B10 122.0(3) . . ? B3 B9 B10 108.1(3) . . ? B4 B9 B10 59.8(2) . . ? B11 B9 B10 60.6(2) . . ? C56 B9 B8 121.4(3) . . ? B3 B9 B8 59.9(2) . . ? B4 B9 B8 108.5(3) . . ? B11 B9 B8 60.0(2) . . ? B10 B9 B8 108.6(3) . . ? C57 B10 B4 120.6(3) . . ? C57 B10 B5 120.1(3) . . ? B4 B10 B5 60.7(2) . . ? C57 B10 B9 123.4(3) . . ? B4 B10 B9 59.9(2) . . ? B5 B10 B9 107.8(3) . . ? C57 B10 B11 123.9(3) . . ? B4 B10 B11 107.6(3) . . ? B5 B10 B11 107.2(3) . . ? B9 B10 B11 59.5(2) . . ? C57 B10 B6 121.4(3) . . ? B4 B10 B6 108.2(3) . . ? B5 B10 B6 59.3(2) . . ? B9 B10 B6 107.7(3) . . ? B11 B10 B6 60.1(2) . . ? C58 B11 B9 121.4(3) . . ? C58 B11 B8 121.0(3) . . ? B9 B11 B8 60.3(2) . . ? C58 B11 B7 121.1(3) . . ? B9 B11 B7 108.3(3) . . ? B8 B11 B7 59.8(2) . . ? C58 B11 B10 122.0(3) . . ? B9 B11 B10 59.9(2) . . ? B8 B11 B10 108.3(3) . . ? B7 B11 B10 108.7(3) . . ? C58 B11 B6 122.2(3) . . ? B9 B11 B6 108.0(3) . . ? B8 B11 B6 108.1(3) . . ? B7 B11 B6 60.6(2) . . ? B10 B11 B6 60.0(2) . . ? B15 C59 B16 63.5(2) . . ? B15 C59 B14 63.3(2) . . ? B16 C59 B14 116.0(3) . . ? B15 C59 B13 115.8(3) . . ? B16 C59 B13 115.5(3) . . ? B14 C59 B13 63.0(2) . . ? B15 C59 B12 115.4(3) . . ? B16 C59 B12 62.8(2) . . ? B14 C59 B12 114.9(3) . . ? B13 C59 B12 62.5(2) . . ? B15 C59 H59 116.8 . . ? B16 C59 H59 116.9 . . ? B14 C59 H59 117.2 . . ? B13 C59 H59 117.3 . . ? B12 C59 H59 117.9 . . ? B12 C60 H60A 109.5 . . ? B12 C60 H60C 109.5 . . ? H60A C60 H60C 109.5 . . ? B12 C60 H60B 109.5 . . ? H60A C60 H60B 109.5 . . ? H60C C60 H60B 109.5 . . ? B13 C61 H61A 109.5 . . ? B13 C61 H61B 109.5 . . ? H61A C61 H61B 109.5 . . ? B13 C61 H61C 109.5 . . ? H61A C61 H61C 109.5 . . ? H61B C61 H61C 109.5 . . ? B14 C62 H62A 109.5 . . ? B14 C62 H62B 109.5 . . ? H62A C62 H62B 109.5 . . ? B14 C62 H62C 109.5 . . ? H62A C62 H62C 109.5 . . ? H62B C62 H62C 109.5 . . ? B15 C63 H63A 109.5 . . ? B15 C63 H63B 109.5 . . ? H63A C63 H63B 109.5 . . ? B15 C63 H63C 109.5 . . ? H63A C63 H63C 109.5 . . ? H63B C63 H63C 109.5 . . ? B16 C64 H64A 109.5 . . ? B16 C64 H64B 109.5 . . ? H64A C64 H64B 109.5 . . ? B16 C64 H64C 109.5 . . ? H64A C64 H64C 109.5 . . ? H64B C64 H64C 109.5 . . ? B17 C65 H65A 109.5 . . ? B17 C65 H65B 109.5 . . ? H65A C65 H65B 109.5 . . ? B17 C65 H65C 109.5 . . ? H65A C65 H65C 109.5 . . ? H65B C65 H65C 109.5 . . ? B18 C66 H66A 109.5 . . ? B18 C66 H66B 109.5 . . ? H66A C66 H66B 109.5 . . ? B18 C66 H66C 109.5 . . ? H66A C66 H66C 109.5 . . ? H66B C66 H66C 109.5 . . ? B19 C67 H67A 109.5 . . ? B19 C67 H67B 109.5 . . ? H67A C67 H67B 109.5 . . ? B19 C67 H67C 109.5 . . ? H67A C67 H67C 109.5 . . ? H67B C67 H67C 109.5 . . ? B20 C68 H68A 109.5 . . ? B20 C68 H68B 109.5 . . ? H68A C68 H68B 109.5 . . ? B20 C68 H68C 109.5 . . ? H68A C68 H68C 109.5 . . ? H68B C68 H68C 109.5 . . ? B21 C69 H69A 109.5 . . ? B21 C69 H69B 109.5 . . ? H69A C69 H69B 109.5 . . ? B21 C69 H69C 109.5 . . ? H69A C69 H69C 109.5 . . ? H69B C69 H69C 109.5 . . ? B22 C70 H70A 109.5 . . ? B22 C70 H70B 109.5 . . ? H70A C70 H70B 109.5 . . ? B22 C70 H70C 109.5 . . ? H70A C70 H70C 109.5 . . ? H70B C70 H70C 109.5 . . ? C60 B12 C59 121.5(3) . . ? C60 B12 B17 124.1(3) . . ? C59 B12 B17 104.2(3) . . ? C60 B12 B18 125.9(3) . . ? C59 B12 B18 104.5(3) . . ? B17 B12 B18 61.2(2) . . ? C60 B12 B13 121.0(3) . . ? C59 B12 B13 58.6(2) . . ? B17 B12 B13 109.2(3) . . ? B18 B12 B13 60.2(2) . . ? C60 B12 B16 118.5(3) . . ? C59 B12 B16 58.3(2) . . ? B17 B12 B16 59.9(2) . . ? B18 B12 B16 108.9(3) . . ? B13 B12 B16 108.4(3) . . ? C61 B13 C59 120.8(3) . . ? C61 B13 B12 120.3(3) . . ? C59 B13 B12 58.8(2) . . ? C61 B13 B19 125.7(3) . . ? C59 B13 B19 104.1(3) . . ? B12 B13 B19 108.0(3) . . ? C61 B13 B18 126.2(3) . . ? C59 B13 B18 104.2(3) . . ? B12 B13 B18 59.7(2) . . ? B19 B13 B18 60.3(2) . . ? C61 B13 B14 119.8(3) . . ? C59 B13 B14 58.5(2) . . ? B12 B13 B14 108.1(3) . . ? B19 B13 B14 59.6(2) . . ? B18 B13 B14 107.8(3) . . ? C62 B14 C59 120.6(3) . . ? C62 B14 B20 126.1(3) . . ? C59 B14 B20 103.8(3) . . ? C62 B14 B19 126.0(3) . . ? C59 B14 B19 104.5(3) . . ? B20 B14 B19 60.7(2) . . ? C62 B14 B13 120.1(3) . . ? C59 B14 B13 58.5(2) . . ? B20 B14 B13 108.2(3) . . ? B19 B14 B13 60.0(2) . . ? C62 B14 B15 119.5(3) . . ? C59 B14 B15 58.19(19) . . ? B20 B14 B15 59.8(2) . . ? B19 B14 B15 108.6(3) . . ? B13 B14 B15 107.9(3) . . ? C63 B15 C59 121.6(3) . . ? C63 B15 B21 125.3(3) . . ? C59 B15 B21 103.8(3) . . ? C63 B15 B20 125.9(3) . . ? C59 B15 B20 103.8(3) . . ? B21 B15 B20 60.5(2) . . ? C63 B15 B14 120.7(3) . . ? C59 B15 B14 58.5(2) . . ? B21 B15 B14 107.9(3) . . ? B20 B15 B14 59.5(2) . . ? C63 B15 B16 119.8(3) . . ? C59 B15 B16 58.3(2) . . ? B21 B15 B16 59.8(2) . . ? B20 B15 B16 108.1(3) . . ? B14 B15 B16 107.8(3) . . ? C64 B16 C59 120.4(3) . . ? C64 B16 B17 126.4(3) . . ? C59 B16 B17 104.3(3) . . ? C64 B16 B21 126.4(3) . . ? C59 B16 B21 103.6(2) . . ? B17 B16 B21 60.3(2) . . ? C64 B16 B12 120.4(3) . . ? C59 B16 B12 58.9(2) . . ? B17 B16 B12 59.5(2) . . ? B21 B16 B12 107.4(3) . . ? C64 B16 B15 119.6(3) . . ? C59 B16 B15 58.2(2) . . ? B17 B16 B15 108.1(3) . . ? B21 B16 B15 59.6(2) . . ? B12 B16 B15 107.8(3) . . ? C65 B17 B12 121.1(3) . . ? C65 B17 B16 121.2(3) . . ? B12 B17 B16 60.6(2) . . ? C65 B17 B21 122.4(3) . . ? B12 B17 B21 108.1(3) . . ? B16 B17 B21 60.0(2) . . ? C65 B17 B22 122.4(3) . . ? B12 B17 B22 107.6(3) . . ? B16 B17 B22 108.0(3) . . ? B21 B17 B22 59.8(2) . . ? C65 B17 B18 121.7(3) . . ? B12 B17 B18 59.6(2) . . ? B16 B17 B18 108.2(3) . . ? B21 B17 B18 107.6(3) . . ? B22 B17 B18 59.7(2) . . ? C66 B18 B12 121.0(3) . . ? C66 B18 B13 121.6(4) . . ? B12 B18 B13 60.1(2) . . ? C66 B18 B22 122.5(4) . . ? B12 B18 B22 107.4(3) . . ? B13 B18 B22 108.1(3) . . ? C66 B18 B19 122.4(3) . . ? B12 B18 B19 108.0(3) . . ? B13 B18 B19 59.8(2) . . ? B22 B18 B19 60.7(2) . . ? C66 B18 B17 121.5(3) . . ? B12 B18 B17 59.2(2) . . ? B13 B18 B17 107.5(3) . . ? B22 B18 B17 59.9(2) . . ? B19 B18 B17 108.4(3) . . ? C67 B19 B14 120.0(3) . . ? C67 B19 B13 120.9(3) . . ? B14 B19 B13 60.4(2) . . ? C67 B19 B20 122.1(3) . . ? B14 B19 B20 59.5(2) . . ? B13 B19 B20 107.6(3) . . ? C67 B19 B18 123.0(3) . . ? B14 B19 B18 108.1(3) . . ? B13 B19 B18 59.9(2) . . ? B20 B19 B18 107.4(3) . . ? C67 B19 B22 124.0(3) . . ? B14 B19 B22 107.3(3) . . ? B13 B19 B22 107.3(3) . . ? B20 B19 B22 59.6(2) . . ? B18 B19 B22 59.6(2) . . ? C68 B20 B14 120.7(3) . . ? C68 B20 B15 120.3(3) . . ? B14 B20 B15 60.7(2) . . ? C68 B20 B22 122.7(3) . . ? B14 B20 B22 108.4(3) . . ? B15 B20 B22 108.0(2) . . ? C68 B20 B21 121.9(3) . . ? B14 B20 B21 108.2(2) . . ? B15 B20 B21 59.7(2) . . ? B22 B20 B21 59.8(2) . . ? C68 B20 B19 121.9(3) . . ? B14 B20 B19 59.8(2) . . ? B15 B20 B19 108.6(3) . . ? B22 B20 B19 60.7(2) . . ? B21 B20 B19 108.4(2) . . ? C69 B21 B15 120.5(3) . . ? C69 B21 B16 119.7(3) . . ? B15 B21 B16 60.7(2) . . ? C69 B21 B22 123.2(3) . . ? B15 B21 B22 108.3(3) . . ? B16 B21 B22 108.2(3) . . ? C69 B21 B17 121.3(3) . . ? B15 B21 B17 108.4(3) . . ? B16 B21 B17 59.7(2) . . ? B22 B21 B17 60.4(2) . . ? C69 B21 B20 123.1(3) . . ? B15 B21 B20 59.8(2) . . ? B16 B21 B20 108.2(3) . . ? B22 B21 B20 60.1(2) . . ? B17 B21 B20 108.2(3) . . ? C70 B22 B21 121.7(3) . . ? C70 B22 B20 121.3(3) . . ? B21 B22 B20 60.1(2) . . ? C70 B22 B18 122.2(3) . . ? B21 B22 B18 108.1(3) . . ? B20 B22 B18 107.5(3) . . ? C70 B22 B17 122.3(3) . . ? B21 B22 B17 59.8(2) . . ? B20 B22 B17 107.8(3) . . ? B18 B22 B17 60.3(2) . . ? C70 B22 B19 121.5(3) . . ? B21 B22 B19 107.9(3) . . ? B20 B22 B19 59.7(2) . . ? B18 B22 B19 59.7(2) . . ? B17 B22 B19 107.9(3) . . ? Cl1 C71 Cl2 111.48(19) . . ? Cl1 C71 H71B 109.3 . . ? Cl2 C71 H71B 109.3 . . ? Cl1 C71 H71A 109.3 . . ? Cl2 C71 H71A 109.3 . . ? H71B C71 H71A 108.0 . . ? Cl3 C72 Cl4 111.33(19) . . ? Cl3 C72 H72A 109.4 . . ? Cl4 C72 H72A 109.4 . . ? Cl3 C72 H72B 109.4 . . ? Cl4 C72 H72B 109.4 . . ? H72A C72 H72B 108.0 . . ? Cl6 C73 Cl5 112.4(2) . . ? Cl6 C73 H73A 109.1 . . ? Cl5 C73 H73A 109.1 . . ? Cl6 C73 H73B 109.1 . . ? Cl5 C73 H73B 109.1 . . ? H73A C73 H73B 107.9 . . ? Cl7 C74 Cl8 109.9(5) . . ? Cl7 C74 H74A 109.7 . . ? Cl8 C74 H74A 109.7 . . ? Cl7 C74 H74B 109.7 . . ? Cl8 C74 H74B 109.7 . . ? H74A C74 H74B 108.2 . . ? Cl7A C74A Cl8A 114.8(14) . . ? Cl7A C74A H74C 108.6 . . ? Cl8A C74A H74C 108.6 . . ? Cl7A C74A H74D 108.6 . . ? Cl8A C74A H74D 108.6 . . ? H74C C74A H74D 107.5 . . ? 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 C6 C1 C2 C3 -1.2(5) . . . . ? C1 C2 C3 C4 1.0(6) . . . . ? C2 C3 C4 C5 -0.3(5) . . . . ? C3 C4 C5 C6 -0.4(5) . . . . ? C4 C5 C6 C1 0.2(5) . . . . ? C4 C5 C6 C7 178.0(3) . . . . ? C2 C1 C6 C5 0.5(5) . . . . ? C2 C1 C6 C7 -177.3(3) . . . . ? C8 N1 C7 C6 70.8(4) . . . . ? C21 N1 C7 C6 -101.4(3) . . . . ? C5 C6 C7 N1 9.8(4) . . . . ? C1 C6 C7 N1 -172.5(3) . . . . ? C7 N1 C8 C13 -175.0(3) . . . . ? C21 N1 C8 C13 -3.6(4) . . . . ? C7 N1 C8 C9 4.0(4) . . . . ? C21 N1 C8 C9 175.4(3) . . . . ? N1 C8 C9 C10 175.1(3) . . . . ? C13 C8 C9 C10 -5.8(4) . . . . ? C8 C9 C10 C11 3.1(5) . . . . ? C23 N2 C11 C12 -163.1(3) . . . . ? C14 N2 C11 C12 22.0(4) . . . . ? C23 N2 C11 C10 19.4(4) . . . . ? C14 N2 C11 C10 -155.5(3) . . . . ? C9 C10 C11 N2 -179.2(3) . . . . ? C9 C10 C11 C12 3.2(4) . . . . ? N2 C11 C12 C13 175.5(3) . . . . ? C10 C11 C12 C13 -6.8(4) . . . . ? C11 C12 C13 C8 4.1(5) . . . . ? N1 C8 C13 C12 -178.7(3) . . . . ? C9 C8 C13 C12 2.2(4) . . . . ? C11 N2 C14 C15 58.8(4) . . . . ? C23 N2 C14 C15 -116.4(3) . . . . ? N2 C14 C15 C16 35.4(4) . . . . ? N2 C14 C15 C20 -147.9(3) . . . . ? C20 C15 C16 C17 -0.7(5) . . . . ? C14 C15 C16 C17 176.0(3) . . . . ? C15 C16 C17 C18 0.7(5) . . . . ? C16 C17 C18 C19 -0.2(5) . . . . ? C17 C18 C19 C20 -0.3(5) . . . . ? C18 C19 C20 C15 0.2(5) . . . . ? C16 C15 C20 C19 0.3(5) . . . . ? C14 C15 C20 C19 -176.5(3) . . . . ? C8 N1 C21 C22 115.4(3) . . . . ? C7 N1 C21 C22 -72.8(3) . . . . ? N1 C21 C22 C23 -65.8(3) . . . 2_657 ? C11 N2 C23 C22 119.2(3) . . . 2_657 ? C14 N2 C23 C22 -65.8(3) . . . 2_657 ? C29 C24 C25 C26 0.7(5) . . . . ? C24 C25 C26 C27 0.1(5) . . . . ? C25 C26 C27 C28 -0.8(5) . . . . ? C26 C27 C28 C29 0.8(5) . . . . ? C25 C24 C29 C28 -0.7(5) . . . . ? C25 C24 C29 C30 177.8(3) . . . . ? C27 C28 C29 C24 -0.1(4) . . . . ? C27 C28 C29 C30 -178.4(3) . . . . ? C31 N3 C30 C29 -67.7(3) . . . . ? C44 N3 C30 C29 102.6(3) . . . . ? C24 C29 C30 N3 167.6(3) . . . . ? C28 C29 C30 N3 -14.1(4) . . . . ? C30 N3 C31 C36 173.6(3) . . . . ? C44 N3 C31 C36 4.3(4) . . . . ? C30 N3 C31 C32 -5.0(4) . . . . ? C44 N3 C31 C32 -174.3(3) . . . . ? N3 C31 C32 C33 -176.4(3) . . . . ? C36 C31 C32 C33 5.0(4) . . . . ? C31 C32 C33 C34 -2.3(5) . . . . ? C46 N4 C34 C33 -19.5(4) . . . . ? C37 N4 C34 C33 154.0(3) . . . . ? C46 N4 C34 C35 162.7(3) . . . . ? C37 N4 C34 C35 -23.8(4) . . . . ? C32 C33 C34 N4 178.8(3) . . . . ? C32 C33 C34 C35 -3.4(4) . . . . ? N4 C34 C35 C36 -175.6(3) . . . . ? C33 C34 C35 C36 6.5(4) . . . . ? C34 C35 C36 C31 -3.9(5) . . . . ? N3 C31 C36 C35 179.5(3) . . . . ? C32 C31 C36 C35 -1.9(4) . . . . ? C34 N4 C37 C38 -56.8(4) . . . . ? C46 N4 C37 C38 117.2(3) . . . . ? N4 C37 C38 C43 148.5(3) . . . . ? N4 C37 C38 C39 -35.0(4) . . . . ? C43 C38 C39 C40 0.3(5) . . . . ? C37 C38 C39 C40 -176.1(3) . . . . ? C38 C39 C40 C41 0.8(5) . . . . ? C39 C40 C41 C42 -1.5(6) . . . . ? C40 C41 C42 C43 1.2(6) . . . . ? C39 C38 C43 C42 -0.7(5) . . . . ? C37 C38 C43 C42 175.8(3) . . . . ? C41 C42 C43 C38 0.0(5) . . . . ? C31 N3 C44 C45 -113.5(3) . . . . ? C30 N3 C44 C45 76.6(3) . . . . ? N3 C44 C45 C46 65.8(3) . . . 2_766 ? C34 N4 C46 C45 -121.4(3) . . . 2_766 ? C37 N4 C46 C45 64.9(3) . . . 2_766 ? B5 C47 B1 C48 -108.5(3) . . . . ? B3 C47 B1 C48 144.6(3) . . . . ? B4 C47 B1 C48 -145.1(3) . . . . ? B2 C47 B1 C48 108.3(3) . . . . ? B5 C47 B1 B6 39.7(2) . . . . ? B3 C47 B1 B6 -67.2(3) . . . . ? B4 C47 B1 B6 3.1(3) . . . . ? B2 C47 B1 B6 -103.5(3) . . . . ? B5 C47 B1 B7 102.8(3) . . . . ? B3 C47 B1 B7 -4.1(3) . . . . ? B4 C47 B1 B7 66.3(3) . . . . ? B2 C47 B1 B7 -40.4(2) . . . . ? B5 C47 B1 B2 143.2(3) . . . . ? B3 C47 B1 B2 36.3(3) . . . . ? B4 C47 B1 B2 106.6(3) . . . . ? B3 C47 B1 B5 -106.9(3) . . . . ? B4 C47 B1 B5 -36.6(3) . . . . ? B2 C47 B1 B5 -143.2(3) . . . . ? B5 C47 B2 C49 -145.0(3) . . . . ? B3 C47 B2 C49 108.2(3) . . . . ? B4 C47 B2 C49 143.9(3) . . . . ? B1 C47 B2 C49 -108.7(3) . . . . ? B5 C47 B2 B8 66.7(3) . . . . ? B3 C47 B2 B8 -40.1(2) . . . . ? B4 C47 B2 B8 -4.3(3) . . . . ? B1 C47 B2 B8 103.0(3) . . . . ? B5 C47 B2 B7 4.4(3) . . . . ? B3 C47 B2 B7 -102.4(3) . . . . ? B4 C47 B2 B7 -66.7(3) . . . . ? B1 C47 B2 B7 40.6(2) . . . . ? B5 C47 B2 B1 -36.2(3) . . . . ? B3 C47 B2 B1 -143.0(3) . . . . ? B4 C47 B2 B1 -107.3(3) . . . . ? B5 C47 B2 B3 106.8(3) . . . . ? B4 C47 B2 B3 35.7(3) . . . . ? B1 C47 B2 B3 143.0(3) . . . . ? C48 B1 B2 C49 -1.0(5) . . . . ? C47 B1 B2 C49 110.1(3) . . . . ? B6 B1 B2 C49 -154.9(3) . . . . ? B7 B1 B2 C49 -116.6(4) . . . . ? B5 B1 B2 C49 142.3(3) . . . . ? C48 B1 B2 C47 -111.1(3) . . . . ? B6 B1 B2 C47 95.0(3) . . . . ? B7 B1 B2 C47 133.3(3) . . . . ? B5 B1 B2 C47 32.2(2) . . . . ? C48 B1 B2 B8 153.3(3) . . . . ? C47 B1 B2 B8 -95.6(3) . . . . ? B6 B1 B2 B8 -0.6(4) . . . . ? B7 B1 B2 B8 37.7(3) . . . . ? B5 B1 B2 B8 -63.4(3) . . . . ? C48 B1 B2 B7 115.6(3) . . . . ? C47 B1 B2 B7 -133.3(3) . . . . ? B6 B1 B2 B7 -38.3(3) . . . . ? B5 B1 B2 B7 -101.1(3) . . . . ? C48 B1 B2 B3 -143.5(3) . . . . ? C47 B1 B2 B3 -32.4(2) . . . . ? B6 B1 B2 B3 62.6(3) . . . . ? B7 B1 B2 B3 100.9(3) . . . . ? B5 B1 B2 B3 -0.2(3) . . . . ? B5 C47 B3 C50 144.8(3) . . . . ? B4 C47 B3 C50 108.0(3) . . . . ? B2 C47 B3 C50 -108.4(3) . . . . ? B1 C47 B3 C50 -144.4(3) . . . . ? B5 C47 B3 B9 -4.0(4) . . . . ? B4 C47 B3 B9 -40.8(2) . . . . ? B2 C47 B3 B9 102.8(3) . . . . ? B1 C47 B3 B9 66.7(3) . . . . ? B5 C47 B3 B8 -66.7(3) . . . . ? B4 C47 B3 B8 -103.5(3) . . . . ? B2 C47 B3 B8 40.1(2) . . . . ? B1 C47 B3 B8 4.0(3) . . . . ? B5 C47 B3 B4 36.8(3) . . . . ? B2 C47 B3 B4 143.6(3) . . . . ? B1 C47 B3 B4 107.5(3) . . . . ? B5 C47 B3 B2 -106.8(3) . . . . ? B4 C47 B3 B2 -143.6(3) . . . . ? B1 C47 B3 B2 -36.1(3) . . . . ? C49 B2 B3 C50 1.6(5) . . . . ? C47 B2 B3 C50 111.6(3) . . . . ? B8 B2 B3 C50 -114.8(3) . . . . ? B7 B2 B3 C50 -152.4(3) . . . . ? B1 B2 B3 C50 144.2(3) . . . . ? C49 B2 B3 C47 -110.0(3) . . . . ? B8 B2 B3 C47 133.7(3) . . . . ? B7 B2 B3 C47 96.1(3) . . . . ? B1 B2 B3 C47 32.7(2) . . . . ? C49 B2 B3 B9 153.8(3) . . . . ? C47 B2 B3 B9 -96.2(3) . . . . ? B8 B2 B3 B9 37.5(3) . . . . ? B7 B2 B3 B9 -0.1(3) . . . . ? B1 B2 B3 B9 -63.6(3) . . . . ? C49 B2 B3 B8 116.4(4) . . . . ? C47 B2 B3 B8 -133.7(3) . . . . ? B7 B2 B3 B8 -37.6(3) . . . . ? B1 B2 B3 B8 -101.0(3) . . . . ? C49 B2 B3 B4 -142.5(3) . . . . ? C47 B2 B3 B4 -32.5(2) . . . . ? B8 B2 B3 B4 101.2(3) . . . . ? B7 B2 B3 B4 63.6(3) . . . . ? B1 B2 B3 B4 0.1(3) . . . . ? B5 C47 B4 C51 108.1(4) . . . . ? B3 C47 B4 C51 -109.2(4) . . . . ? B2 C47 B4 C51 -145.1(3) . . . . ? B1 C47 B4 C51 144.6(3) . . . . ? B5 C47 B4 B10 -40.0(2) . . . . ? B3 C47 B4 B10 102.7(3) . . . . ? B2 C47 B4 B10 66.9(3) . . . . ? B1 C47 B4 B10 -3.5(3) . . . . ? B5 C47 B4 B9 -102.3(3) . . . . ? B3 C47 B4 B9 40.4(2) . . . . ? B2 C47 B4 B9 4.6(3) . . . . ? B1 C47 B4 B9 -65.8(3) . . . . ? B5 C47 B4 B3 -142.7(3) . . . . ? B2 C47 B4 B3 -35.9(3) . . . . ? B1 C47 B4 B3 -106.2(3) . . . . ? B3 C47 B4 B5 142.7(3) . . . . ? B2 C47 B4 B5 106.8(3) . . . . ? B1 C47 B4 B5 36.5(3) . . . . ? C50 B3 B4 C51 -1.2(5) . . . . ? C47 B3 B4 C51 110.5(3) . . . . ? B9 B3 B4 C51 -116.4(3) . . . . ? B8 B3 B4 C51 -153.7(3) . . . . ? B2 B3 B4 C51 143.0(3) . . . . ? C50 B3 B4 C47 -111.7(3) . . . . ? B9 B3 B4 C47 133.1(3) . . . . ? B8 B3 B4 C47 95.8(3) . . . . ? B2 B3 B4 C47 32.5(2) . . . . ? C50 B3 B4 B10 152.8(3) . . . . ? C47 B3 B4 B10 -95.5(3) . . . . ? B9 B3 B4 B10 37.5(2) . . . . ? B8 B3 B4 B10 0.2(3) . . . . ? B2 B3 B4 B10 -63.1(3) . . . . ? C50 B3 B4 B9 115.2(3) . . . . ? C47 B3 B4 B9 -133.1(3) . . . . ? B8 B3 B4 B9 -37.3(2) . . . . ? B2 B3 B4 B9 -100.6(3) . . . . ? C50 B3 B4 B5 -144.2(3) . . . . ? C47 B3 B4 B5 -32.5(2) . . . . ? B9 B3 B4 B5 100.6(3) . . . . ? B8 B3 B4 B5 63.3(3) . . . . ? B2 B3 B4 B5 0.0(3) . . . . ? B3 C47 B5 C52 -144.9(3) . . . . ? B4 C47 B5 C52 -108.4(4) . . . . ? B2 C47 B5 C52 144.5(3) . . . . ? B1 C47 B5 C52 108.5(3) . . . . ? B3 C47 B5 B6 66.4(3) . . . . ? B4 C47 B5 B6 103.0(3) . . . . ? B2 C47 B5 B6 -4.2(3) . . . . ? B1 C47 B5 B6 -40.2(2) . . . . ? B3 C47 B5 B10 3.3(4) . . . . ? B4 C47 B5 B10 39.9(2) . . . . ? B2 C47 B5 B10 -67.3(3) . . . . ? B1 C47 B5 B10 -103.3(3) . . . . ? B3 C47 B5 B1 106.6(3) . . . . ? B4 C47 B5 B1 143.1(3) . . . . ? B2 C47 B5 B1 36.0(3) . . . . ? B3 C47 B5 B4 -36.5(3) . . . . ? B2 C47 B5 B4 -107.2(3) . . . . ? B1 C47 B5 B4 -143.1(3) . . . . ? C48 B1 B5 C52 -0.2(5) . . . . ? C47 B1 B5 C52 -110.9(4) . . . . ? B6 B1 B5 C52 115.3(4) . . . . ? B7 B1 B5 C52 153.6(3) . . . . ? B2 B1 B5 C52 -143.4(3) . . . . ? C48 B1 B5 C47 110.6(3) . . . . ? B6 B1 B5 C47 -133.8(3) . . . . ? B7 B1 B5 C47 -95.5(3) . . . . ? B2 B1 B5 C47 -32.5(2) . . . . ? C48 B1 B5 B6 -115.6(3) . . . . ? C47 B1 B5 B6 133.8(3) . . . . ? B7 B1 B5 B6 38.3(2) . . . . ? B2 B1 B5 B6 101.3(3) . . . . ? C48 B1 B5 B10 -153.6(3) . . . . ? C47 B1 B5 B10 95.8(3) . . . . ? B6 B1 B5 B10 -38.0(3) . . . . ? B7 B1 B5 B10 0.3(3) . . . . ? B2 B1 B5 B10 63.3(3) . . . . ? C48 B1 B5 B4 143.3(3) . . . . ? C47 B1 B5 B4 32.7(2) . . . . ? B6 B1 B5 B4 -101.1(3) . . . . ? B7 B1 B5 B4 -62.8(3) . . . . ? B2 B1 B5 B4 0.2(4) . . . . ? C51 B4 B5 C52 0.1(5) . . . . ? C47 B4 B5 C52 110.8(4) . . . . ? B10 B4 B5 C52 -115.4(4) . . . . ? B9 B4 B5 C52 -153.8(3) . . . . ? B3 B4 B5 C52 143.5(3) . . . . ? C51 B4 B5 C47 -110.7(4) . . . . ? B10 B4 B5 C47 133.8(3) . . . . ? B9 B4 B5 C47 95.4(3) . . . . ? B3 B4 B5 C47 32.7(2) . . . . ? C51 B4 B5 B6 153.0(3) . . . . ? C47 B4 B5 B6 -96.3(3) . . . . ? B10 B4 B5 B6 37.5(3) . . . . ? B9 B4 B5 B6 -0.9(3) . . . . ? B3 B4 B5 B6 -63.6(3) . . . . ? C51 B4 B5 B10 115.5(4) . . . . ? C47 B4 B5 B10 -133.8(3) . . . . ? B9 B4 B5 B10 -38.4(3) . . . . ? B3 B4 B5 B10 -101.2(3) . . . . ? C51 B4 B5 B1 -143.5(3) . . . . ? C47 B4 B5 B1 -32.8(2) . . . . ? B10 B4 B5 B1 101.0(3) . . . . ? B9 B4 B5 B1 62.6(3) . . . . ? B3 B4 B5 B1 -0.1(3) . . . . ? C52 B5 B6 C53 3.2(5) . . . . ? C47 B5 B6 C53 150.4(3) . . . . ? B10 B5 B6 C53 -111.2(3) . . . . ? B1 B5 B6 C53 110.7(3) . . . . ? B4 B5 B6 C53 -148.1(3) . . . . ? C52 B5 B6 B1 -107.6(4) . . . . ? C47 B5 B6 B1 39.7(2) . . . . ? B10 B5 B6 B1 138.1(3) . . . . ? B4 B5 B6 B1 101.1(3) . . . . ? C52 B5 B6 B10 114.4(4) . . . . ? C47 B5 B6 B10 -98.4(3) . . . . ? B1 B5 B6 B10 -138.1(3) . . . . ? B4 B5 B6 B10 -36.9(2) . . . . ? C52 B5 B6 B11 152.1(3) . . . . ? C47 B5 B6 B11 -60.6(3) . . . . ? B10 B5 B6 B11 37.7(3) . . . . ? B1 B5 B6 B11 -100.4(3) . . . . ? B4 B5 B6 B11 0.8(3) . . . . ? C52 B5 B6 B7 -145.2(3) . . . . ? C47 B5 B6 B7 2.1(3) . . . . ? B10 B5 B6 B7 100.5(3) . . . . ? B1 B5 B6 B7 -37.6(2) . . . . ? B4 B5 B6 B7 63.6(3) . . . . ? C48 B1 B6 C53 -3.5(5) . . . . ? C47 B1 B6 C53 -150.2(3) . . . . ? B7 B1 B6 C53 111.0(4) . . . . ? B2 B1 B6 C53 148.7(3) . . . . ? B5 B1 B6 C53 -111.2(4) . . . . ? C48 B1 B6 B5 107.8(4) . . . . ? C47 B1 B6 B5 -38.9(2) . . . . ? B7 B1 B6 B5 -137.7(3) . . . . ? B2 B1 B6 B5 -100.1(3) . . . . ? C48 B1 B6 B10 145.3(3) . . . . ? C47 B1 B6 B10 -1.4(3) . . . . ? B7 B1 B6 B10 -100.2(3) . . . . ? B2 B1 B6 B10 -62.5(3) . . . . ? B5 B1 B6 B10 37.5(3) . . . . ? C48 B1 B6 B11 -151.4(3) . . . . ? C47 B1 B6 B11 61.9(3) . . . . ? B7 B1 B6 B11 -36.9(2) . . . . ? B2 B1 B6 B11 0.7(4) . . . . ? B5 B1 B6 B11 100.8(3) . . . . ? C48 B1 B6 B7 -114.5(4) . . . . ? C47 B1 B6 B7 98.8(3) . . . . ? B2 B1 B6 B7 37.6(2) . . . . ? B5 B1 B6 B7 137.7(3) . . . . ? C49 B2 B7 C54 -1.4(5) . . . . ? C47 B2 B7 C54 -148.8(3) . . . . ? B8 B2 B7 C54 113.2(4) . . . . ? B1 B2 B7 C54 -108.9(3) . . . . ? B3 B2 B7 C54 150.6(3) . . . . ? C49 B2 B7 B8 -114.6(4) . . . . ? C47 B2 B7 B8 98.0(3) . . . . ? B1 B2 B7 B8 137.9(3) . . . . ? B3 B2 B7 B8 37.4(2) . . . . ? C49 B2 B7 B1 107.4(4) . . . . ? C47 B2 B7 B1 -40.0(2) . . . . ? B8 B2 B7 B1 -137.9(3) . . . . ? B3 B2 B7 B1 -100.6(3) . . . . ? C49 B2 B7 B11 -152.1(3) . . . . ? C47 B2 B7 B11 60.5(3) . . . . ? B8 B2 B7 B11 -37.5(3) . . . . ? B1 B2 B7 B11 100.5(3) . . . . ? B3 B2 B7 B11 -0.1(3) . . . . ? C49 B2 B7 B6 144.7(3) . . . . ? C47 B2 B7 B6 -2.7(3) . . . . ? B8 B2 B7 B6 -100.7(3) . . . . ? B1 B2 B7 B6 37.3(2) . . . . ? B3 B2 B7 B6 -63.3(3) . . . . ? C48 B1 B7 C54 3.4(5) . . . . ? C47 B1 B7 C54 150.7(3) . . . . ? B6 B1 B7 C54 -111.4(4) . . . . ? B2 B1 B7 C54 110.8(4) . . . . ? B5 B1 B7 C54 -148.9(3) . . . . ? C48 B1 B7 B2 -107.4(4) . . . . ? C47 B1 B7 B2 39.9(2) . . . . ? B6 B1 B7 B2 137.8(3) . . . . ? B5 B1 B7 B2 100.2(3) . . . . ? C48 B1 B7 B8 -144.9(3) . . . . ? C47 B1 B7 B8 2.4(3) . . . . ? B6 B1 B7 B8 100.3(3) . . . . ? B2 B1 B7 B8 -37.5(2) . . . . ? B5 B1 B7 B8 62.8(3) . . . . ? C48 B1 B7 B11 152.0(3) . . . . ? C47 B1 B7 B11 -60.7(3) . . . . ? B6 B1 B7 B11 37.2(2) . . . . ? B2 B1 B7 B11 -100.6(3) . . . . ? B5 B1 B7 B11 -0.4(3) . . . . ? C48 B1 B7 B6 114.8(4) . . . . ? C47 B1 B7 B6 -97.9(3) . . . . ? B2 B1 B7 B6 -137.8(3) . . . . ? B5 B1 B7 B6 -37.6(2) . . . . ? C53 B6 B7 C54 -2.0(5) . . . . ? B5 B6 B7 C54 146.2(3) . . . . ? B1 B6 B7 C54 108.1(3) . . . . ? B10 B6 B7 C54 -150.6(3) . . . . ? B11 B6 B7 C54 -113.7(4) . . . . ? C53 B6 B7 B2 -147.8(3) . . . . ? B5 B6 B7 B2 0.4(3) . . . . ? B1 B6 B7 B2 -37.7(2) . . . . ? B10 B6 B7 B2 63.6(3) . . . . ? B11 B6 B7 B2 100.5(3) . . . . ? C53 B6 B7 B8 149.1(3) . . . . ? B5 B6 B7 B8 -62.7(3) . . . . ? B1 B6 B7 B8 -100.8(3) . . . . ? B10 B6 B7 B8 0.6(3) . . . . ? B11 B6 B7 B8 37.5(3) . . . . ? C53 B6 B7 B1 -110.1(3) . . . . ? B5 B6 B7 B1 38.1(2) . . . . ? B10 B6 B7 B1 101.3(3) . . . . ? B11 B6 B7 B1 138.3(3) . . . . ? C53 B6 B7 B11 111.6(4) . . . . ? B5 B6 B7 B11 -100.1(3) . . . . ? B1 B6 B7 B11 -138.3(3) . . . . ? B10 B6 B7 B11 -36.9(2) . . . . ? C49 B2 B8 C55 3.1(5) . . . . ? C47 B2 B8 C55 149.4(3) . . . . ? B7 B2 B8 C55 -111.7(3) . . . . ? B1 B2 B8 C55 -149.4(3) . . . . ? B3 B2 B8 C55 110.2(3) . . . . ? C49 B2 B8 B3 -107.1(4) . . . . ? C47 B2 B8 B3 39.2(2) . . . . ? B7 B2 B8 B3 138.1(3) . . . . ? B1 B2 B8 B3 100.4(3) . . . . ? C49 B2 B8 B7 114.9(4) . . . . ? C47 B2 B8 B7 -98.8(3) . . . . ? B1 B2 B8 B7 -37.6(3) . . . . ? B3 B2 B8 B7 -138.1(3) . . . . ? C49 B2 B8 B11 152.7(3) . . . . ? C47 B2 B8 B11 -61.0(3) . . . . ? B7 B2 B8 B11 37.8(3) . . . . ? B1 B2 B8 B11 0.2(4) . . . . ? B3 B2 B8 B11 -100.2(3) . . . . ? C49 B2 B8 B9 -144.1(3) . . . . ? C47 B2 B8 B9 2.2(3) . . . . ? B7 B2 B8 B9 101.0(3) . . . . ? B1 B2 B8 B9 63.4(3) . . . . ? B3 B2 B8 B9 -37.0(2) . . . . ? C50 B3 B8 C55 -2.6(5) . . . . ? C47 B3 B8 C55 -150.0(3) . . . . ? B9 B3 B8 C55 111.3(3) . . . . ? B4 B3 B8 C55 148.4(3) . . . . ? B2 B3 B8 C55 -110.3(3) . . . . ? C50 B3 B8 B2 107.7(3) . . . . ? C47 B3 B8 B2 -39.7(2) . . . . ? B9 B3 B8 B2 -138.4(3) . . . . ? B4 B3 B8 B2 -101.4(3) . . . . ? C50 B3 B8 B7 145.3(3) . . . . ? C47 B3 B8 B7 -2.1(3) . . . . ? B9 B3 B8 B7 -100.8(3) . . . . ? B4 B3 B8 B7 -63.8(3) . . . . ? B2 B3 B8 B7 37.6(2) . . . . ? C50 B3 B8 B11 -150.9(3) . . . . ? C47 B3 B8 B11 61.7(3) . . . . ? B9 B3 B8 B11 -37.0(2) . . . . ? B4 B3 B8 B11 0.0(3) . . . . ? B2 B3 B8 B11 101.4(3) . . . . ? C50 B3 B8 B9 -113.9(3) . . . . ? C47 B3 B8 B9 98.7(3) . . . . ? B4 B3 B8 B9 37.1(2) . . . . ? B2 B3 B8 B9 138.4(3) . . . . ? C54 B7 B8 C55 0.2(5) . . . . ? B2 B7 B8 C55 109.4(4) . . . . ? B1 B7 B8 C55 147.1(3) . . . . ? B11 B7 B8 C55 -112.7(4) . . . . ? B6 B7 B8 C55 -150.3(3) . . . . ? C54 B7 B8 B2 -109.1(4) . . . . ? B1 B7 B8 B2 37.7(3) . . . . ? B11 B7 B8 B2 137.9(3) . . . . ? B6 B7 B8 B2 100.3(3) . . . . ? C54 B7 B8 B3 -147.0(3) . . . . ? B2 B7 B8 B3 -37.9(2) . . . . ? B1 B7 B8 B3 -0.2(3) . . . . ? B11 B7 B8 B3 100.0(3) . . . . ? B6 B7 B8 B3 62.4(3) . . . . ? C54 B7 B8 B11 113.0(4) . . . . ? B2 B7 B8 B11 -137.9(3) . . . . ? B1 B7 B8 B11 -100.2(3) . . . . ? B6 B7 B8 B11 -37.5(3) . . . . ? C54 B7 B8 B9 149.9(3) . . . . ? B2 B7 B8 B9 -101.0(3) . . . . ? B1 B7 B8 B9 -63.3(3) . . . . ? B11 B7 B8 B9 36.9(3) . . . . ? B6 B7 B8 B9 -0.6(3) . . . . ? C50 B3 B9 C56 2.9(5) . . . . ? C47 B3 B9 C56 150.7(3) . . . . ? B8 B3 B9 C56 -110.7(4) . . . . ? B4 B3 B9 C56 110.5(4) . . . . ? B2 B3 B9 C56 -147.8(3) . . . . ? C50 B3 B9 B4 -107.5(4) . . . . ? C47 B3 B9 B4 40.3(2) . . . . ? B8 B3 B9 B4 138.8(3) . . . . ? B2 B3 B9 B4 101.8(3) . . . . ? C50 B3 B9 B11 151.0(3) . . . . ? C47 B3 B9 B11 -61.2(3) . . . . ? B8 B3 B9 B11 37.3(3) . . . . ? B4 B3 B9 B11 -101.5(3) . . . . ? B2 B3 B9 B11 0.3(3) . . . . ? C50 B3 B9 B10 -144.9(3) . . . . ? C47 B3 B9 B10 2.9(3) . . . . ? B8 B3 B9 B10 101.4(3) . . . . ? B4 B3 B9 B10 -37.4(3) . . . . ? B2 B3 B9 B10 64.4(3) . . . . ? C50 B3 B9 B8 113.7(4) . . . . ? C47 B3 B9 B8 -98.5(3) . . . . ? B4 B3 B9 B8 -138.8(3) . . . . ? B2 B3 B9 B8 -37.0(2) . . . . ? C51 B4 B9 C56 -2.3(5) . . . . ? C47 B4 B9 C56 -150.2(3) . . . . ? B10 B4 B9 C56 111.4(3) . . . . ? B3 B4 B9 C56 -110.4(3) . . . . ? B5 B4 B9 C56 149.6(3) . . . . ? C51 B4 B9 B3 108.1(4) . . . . ? C47 B4 B9 B3 -39.8(2) . . . . ? B10 B4 B9 B3 -138.2(3) . . . . ? B5 B4 B9 B3 -100.0(3) . . . . ? C51 B4 B9 B11 -151.3(3) . . . . ? C47 B4 B9 B11 60.8(3) . . . . ? B10 B4 B9 B11 -37.6(3) . . . . ? B3 B4 B9 B11 100.6(3) . . . . ? B5 B4 B9 B11 0.6(3) . . . . ? C51 B4 B9 B10 -113.8(4) . . . . ? C47 B4 B9 B10 98.4(3) . . . . ? B3 B4 B9 B10 138.2(3) . . . . ? B5 B4 B9 B10 38.2(2) . . . . ? C51 B4 B9 B8 145.1(3) . . . . ? C47 B4 B9 B8 -2.8(3) . . . . ? B10 B4 B9 B8 -101.2(3) . . . . ? B3 B4 B9 B8 37.0(2) . . . . ? B5 B4 B9 B8 -63.0(3) . . . . ? C55 B8 B9 C56 0.9(5) . . . . ? B2 B8 B9 C56 147.6(3) . . . . ? B3 B8 B9 C56 110.1(4) . . . . ? B7 B8 B9 C56 -148.8(3) . . . . ? B11 B8 B9 C56 -111.7(4) . . . . ? C55 B8 B9 B3 -109.2(4) . . . . ? B2 B8 B9 B3 37.5(2) . . . . ? B7 B8 B9 B3 101.1(3) . . . . ? B11 B8 B9 B3 138.3(3) . . . . ? C55 B8 B9 B4 -146.4(3) . . . . ? B2 B8 B9 B4 0.4(3) . . . . ? B3 B8 B9 B4 -37.1(2) . . . . ? B7 B8 B9 B4 63.9(3) . . . . ? B11 B8 B9 B4 101.1(3) . . . . ? C55 B8 B9 B11 112.5(4) . . . . ? B2 B8 B9 B11 -100.7(3) . . . . ? B3 B8 B9 B11 -138.3(3) . . . . ? B7 B8 B9 B11 -37.2(3) . . . . ? C55 B8 B9 B10 150.2(3) . . . . ? B2 B8 B9 B10 -63.1(3) . . . . ? B3 B8 B9 B10 -100.6(3) . . . . ? B7 B8 B9 B10 0.5(4) . . . . ? B11 B8 B9 B10 37.6(3) . . . . ? C51 B4 B10 C57 2.0(5) . . . . ? C47 B4 B10 C57 148.6(3) . . . . ? B9 B4 B10 C57 -113.4(3) . . . . ? B3 B4 B10 C57 -150.6(3) . . . . ? B5 B4 B10 C57 109.6(4) . . . . ? C51 B4 B10 B5 -107.6(4) . . . . ? C47 B4 B10 B5 39.0(2) . . . . ? B9 B4 B10 B5 137.0(3) . . . . ? B3 B4 B10 B5 99.8(3) . . . . ? C51 B4 B10 B9 115.3(4) . . . . ? C47 B4 B10 B9 -98.0(3) . . . . ? B3 B4 B10 B9 -37.2(2) . . . . ? B5 B4 B10 B9 -137.0(3) . . . . ? C51 B4 B10 B11 152.2(3) . . . . ? C47 B4 B10 B11 -61.2(3) . . . . ? B9 B4 B10 B11 36.8(2) . . . . ? B3 B4 B10 B11 -0.4(3) . . . . ? B5 B4 B10 B11 -100.2(3) . . . . ? C51 B4 B10 B6 -144.4(3) . . . . ? C47 B4 B10 B6 2.3(3) . . . . ? B9 B4 B10 B6 100.3(3) . . . . ? B3 B4 B10 B6 63.1(3) . . . . ? B5 B4 B10 B6 -36.7(3) . . . . ? C52 B5 B10 C57 -3.2(5) . . . . ? C47 B5 B10 C57 -150.0(3) . . . . ? B6 B5 B10 C57 110.9(4) . . . . ? B1 B5 B10 C57 148.5(3) . . . . ? B4 B5 B10 C57 -110.5(4) . . . . ? C52 B5 B10 B4 107.3(4) . . . . ? C47 B5 B10 B4 -39.5(2) . . . . ? B6 B5 B10 B4 -138.6(3) . . . . ? B1 B5 B10 B4 -101.1(3) . . . . ? C52 B5 B10 B9 145.5(3) . . . . ? C47 B5 B10 B9 -1.2(3) . . . . ? B6 B5 B10 B9 -100.3(3) . . . . ? B1 B5 B10 B9 -62.8(3) . . . . ? B4 B5 B10 B9 38.3(3) . . . . ? C52 B5 B10 B11 -151.8(3) . . . . ? C47 B5 B10 B11 61.4(3) . . . . ? B6 B5 B10 B11 -37.7(3) . . . . ? B1 B5 B10 B11 -0.1(3) . . . . ? B4 B5 B10 B11 100.9(3) . . . . ? C52 B5 B10 B6 -114.1(4) . . . . ? C47 B5 B10 B6 99.1(3) . . . . ? B1 B5 B10 B6 37.6(2) . . . . ? B4 B5 B10 B6 138.6(3) . . . . ? C56 B9 B10 C57 -1.0(6) . . . . ? B3 B9 B10 C57 146.4(3) . . . . ? B4 B9 B10 C57 108.8(4) . . . . ? B11 B9 B10 C57 -112.8(4) . . . . ? B8 B9 B10 C57 -150.1(3) . . . . ? C56 B9 B10 B4 -109.8(4) . . . . ? B3 B9 B10 B4 37.6(2) . . . . ? B11 B9 B10 B4 138.4(3) . . . . ? B8 B9 B10 B4 101.1(3) . . . . ? C56 B9 B10 B5 -148.5(3) . . . . ? B3 B9 B10 B5 -1.1(4) . . . . ? B4 B9 B10 B5 -38.6(3) . . . . ? B11 B9 B10 B5 99.8(3) . . . . ? B8 B9 B10 B5 62.4(3) . . . . ? C56 B9 B10 B11 111.7(4) . . . . ? B3 B9 B10 B11 -100.9(3) . . . . ? B4 B9 B10 B11 -138.4(3) . . . . ? B8 B9 B10 B11 -37.4(3) . . . . ? C56 B9 B10 B6 149.0(3) . . . . ? B3 B9 B10 B6 -63.6(3) . . . . ? B4 B9 B10 B6 -101.2(3) . . . . ? B11 B9 B10 B6 37.3(3) . . . . ? B8 B9 B10 B6 -0.1(4) . . . . ? C53 B6 B10 C57 1.9(5) . . . . ? B5 B6 B10 C57 -108.6(4) . . . . ? B1 B6 B10 C57 -146.6(3) . . . . ? B11 B6 B10 C57 113.7(4) . . . . ? B7 B6 B10 C57 150.4(3) . . . . ? C53 B6 B10 B4 148.0(3) . . . . ? B5 B6 B10 B4 37.4(3) . . . . ? B1 B6 B10 B4 -0.6(4) . . . . ? B11 B6 B10 B4 -100.3(3) . . . . ? B7 B6 B10 B4 -63.5(3) . . . . ? C53 B6 B10 B5 110.6(4) . . . . ? B1 B6 B10 B5 -37.9(3) . . . . ? B11 B6 B10 B5 -137.6(3) . . . . ? B7 B6 B10 B5 -100.9(3) . . . . ? C53 B6 B10 B9 -148.8(3) . . . . ? B5 B6 B10 B9 100.6(3) . . . . ? B1 B6 B10 B9 62.7(3) . . . . ? B11 B6 B10 B9 -37.0(3) . . . . ? B7 B6 B10 B9 -0.3(4) . . . . ? C53 B6 B10 B11 -111.8(4) . . . . ? B5 B6 B10 B11 137.6(3) . . . . ? B1 B6 B10 B11 99.7(3) . . . . ? B7 B6 B10 B11 36.7(2) . . . . ? C56 B9 B11 C58 0.0(5) . . . . ? B3 B9 B11 C58 -147.5(3) . . . . ? B4 B9 B11 C58 148.6(3) . . . . ? B10 B9 B11 C58 111.4(4) . . . . ? B8 B9 B11 C58 -110.3(4) . . . . ? C56 B9 B11 B8 110.3(4) . . . . ? B3 B9 B11 B8 -37.3(2) . . . . ? B4 B9 B11 B8 -101.2(3) . . . . ? B10 B9 B11 B8 -138.4(3) . . . . ? C56 B9 B11 B7 147.2(3) . . . . ? B3 B9 B11 B7 -0.4(4) . . . . ? B4 B9 B11 B7 -64.2(3) . . . . ? B10 B9 B11 B7 -101.5(3) . . . . ? B8 B9 B11 B7 36.9(3) . . . . ? C56 B9 B11 B10 -111.3(4) . . . . ? B3 B9 B11 B10 101.1(3) . . . . ? B4 B9 B11 B10 37.2(2) . . . . ? B8 B9 B11 B10 138.4(3) . . . . ? C56 B9 B11 B6 -148.7(3) . . . . ? B3 B9 B11 B6 63.8(3) . . . . ? B4 B9 B11 B6 -0.1(4) . . . . ? B10 B9 B11 B6 -37.3(3) . . . . ? B8 B9 B11 B6 101.0(3) . . . . ? C55 B8 B11 C58 0.6(5) . . . . ? B2 B8 B11 C58 -148.1(3) . . . . ? B3 B8 B11 C58 147.9(3) . . . . ? B7 B8 B11 C58 -110.4(4) . . . . ? B9 B8 B11 C58 110.9(4) . . . . ? C55 B8 B11 B9 -110.3(3) . . . . ? B2 B8 B11 B9 101.0(3) . . . . ? B3 B8 B11 B9 37.0(2) . . . . ? B7 B8 B11 B9 138.7(3) . . . . ? C55 B8 B11 B7 110.9(4) . . . . ? B2 B8 B11 B7 -37.7(3) . . . . ? B3 B8 B11 B7 -101.7(3) . . . . ? B9 B8 B11 B7 -138.7(3) . . . . ? C55 B8 B11 B10 -147.6(3) . . . . ? B2 B8 B11 B10 63.8(3) . . . . ? B3 B8 B11 B10 -0.3(3) . . . . ? B7 B8 B11 B10 101.5(3) . . . . ? B9 B8 B11 B10 -37.2(2) . . . . ? C55 B8 B11 B6 148.9(3) . . . . ? B2 B8 B11 B6 0.3(4) . . . . ? B3 B8 B11 B6 -63.8(3) . . . . ? B7 B8 B11 B6 37.9(3) . . . . ? B9 B8 B11 B6 -100.8(3) . . . . ? C54 B7 B11 C58 -2.0(5) . . . . ? B2 B7 B11 C58 147.5(3) . . . . ? B8 B7 B11 C58 110.1(4) . . . . ? B1 B7 B11 C58 -148.9(3) . . . . ? B6 B7 B11 C58 -112.0(4) . . . . ? C54 B7 B11 B9 -149.3(3) . . . . ? B2 B7 B11 B9 0.3(4) . . . . ? B8 B7 B11 B9 -37.2(3) . . . . ? B1 B7 B11 B9 63.9(3) . . . . ? B6 B7 B11 B9 100.7(3) . . . . ? C54 B7 B11 B8 -112.1(4) . . . . ? B2 B7 B11 B8 37.4(3) . . . . ? B1 B7 B11 B8 101.0(3) . . . . ? B6 B7 B11 B8 137.9(3) . . . . ? C54 B7 B11 B10 147.2(3) . . . . ? B2 B7 B11 B10 -63.3(3) . . . . ? B8 B7 B11 B10 -100.7(3) . . . . ? B1 B7 B11 B10 0.3(3) . . . . ? B6 B7 B11 B10 37.2(3) . . . . ? C54 B7 B11 B6 110.0(4) . . . . ? B2 B7 B11 B6 -100.5(3) . . . . ? B8 B7 B11 B6 -137.9(3) . . . . ? B1 B7 B11 B6 -36.9(2) . . . . ? C57 B10 B11 C58 1.7(5) . . . . ? B4 B10 B11 C58 -147.3(3) . . . . ? B5 B10 B11 C58 148.7(3) . . . . ? B9 B10 B11 C58 -110.3(3) . . . . ? B6 B10 B11 C58 111.4(4) . . . . ? C57 B10 B11 B9 112.0(4) . . . . ? B4 B10 B11 B9 -37.0(2) . . . . ? B5 B10 B11 B9 -100.9(3) . . . . ? B6 B10 B11 B9 -138.3(3) . . . . ? C57 B10 B11 B8 149.4(3) . . . . ? B4 B10 B11 B8 0.4(3) . . . . ? B5 B10 B11 B8 -63.5(3) . . . . ? B9 B10 B11 B8 37.4(2) . . . . ? B6 B10 B11 B8 -100.8(3) . . . . ? C57 B10 B11 B7 -147.2(3) . . . . ? B4 B10 B11 B7 63.8(3) . . . . ? B5 B10 B11 B7 -0.1(4) . . . . ? B9 B10 B11 B7 100.8(3) . . . . ? B6 B10 B11 B7 -37.4(2) . . . . ? C57 B10 B11 B6 -109.8(4) . . . . ? B4 B10 B11 B6 101.2(3) . . . . ? B5 B10 B11 B6 37.3(2) . . . . ? B9 B10 B11 B6 138.3(3) . . . . ? C53 B6 B11 C58 -0.2(5) . . . . ? B5 B6 B11 C58 -148.8(3) . . . . ? B1 B6 B11 C58 147.2(3) . . . . ? B10 B6 B11 C58 -111.1(4) . . . . ? B7 B6 B11 C58 110.3(4) . . . . ? C53 B6 B11 B9 148.1(3) . . . . ? B5 B6 B11 B9 -0.4(4) . . . . ? B1 B6 B11 B9 -64.4(3) . . . . ? B10 B6 B11 B9 37.3(3) . . . . ? B7 B6 B11 B9 -101.3(3) . . . . ? C53 B6 B11 B8 -148.1(3) . . . . ? B5 B6 B11 B8 63.4(3) . . . . ? B1 B6 B11 B8 -0.6(4) . . . . ? B10 B6 B11 B8 101.1(3) . . . . ? B7 B6 B11 B8 -37.6(3) . . . . ? C53 B6 B11 B7 -110.5(4) . . . . ? B5 B6 B11 B7 100.9(3) . . . . ? B1 B6 B11 B7 36.9(3) . . . . ? B10 B6 B11 B7 138.6(3) . . . . ? C53 B6 B11 B10 110.9(4) . . . . ? B5 B6 B11 B10 -37.7(3) . . . . ? B1 B6 B11 B10 -101.7(3) . . . . ? B7 B6 B11 B10 -138.6(3) . . . . ? B15 C59 B12 C60 -143.2(3) . . . . ? B16 C59 B12 C60 -106.3(4) . . . . ? B14 C59 B12 C60 145.9(3) . . . . ? B13 C59 B12 C60 109.5(4) . . . . ? B15 C59 B12 B17 3.2(4) . . . . ? B16 C59 B12 B17 40.1(2) . . . . ? B14 C59 B12 B17 -67.7(3) . . . . ? B13 C59 B12 B17 -104.1(3) . . . . ? B15 C59 B12 B18 66.5(3) . . . . ? B16 C59 B12 B18 103.5(3) . . . . ? B14 C59 B12 B18 -4.3(4) . . . . ? B13 C59 B12 B18 -40.7(3) . . . . ? B15 C59 B12 B13 107.2(3) . . . . ? B16 C59 B12 B13 144.2(3) . . . . ? B14 C59 B12 B13 36.4(3) . . . . ? B15 C59 B12 B16 -37.0(3) . . . . ? B14 C59 B12 B16 -107.8(3) . . . . ? B13 C59 B12 B16 -144.2(3) . . . . ? B15 C59 B13 C61 144.5(3) . . . . ? B16 C59 B13 C61 -144.1(3) . . . . ? B14 C59 B13 C61 108.2(4) . . . . ? B12 C59 B13 C61 -109.0(4) . . . . ? B15 C59 B13 B12 -106.6(3) . . . . ? B16 C59 B13 B12 -35.2(3) . . . . ? B14 C59 B13 B12 -142.8(3) . . . . ? B15 C59 B13 B19 -3.8(4) . . . . ? B16 C59 B13 B19 67.6(3) . . . . ? B14 C59 B13 B19 -40.0(2) . . . . ? B12 C59 B13 B19 102.8(3) . . . . ? B15 C59 B13 B18 -66.2(3) . . . . ? B16 C59 B13 B18 5.2(3) . . . . ? B14 C59 B13 B18 -102.4(3) . . . . ? B12 C59 B13 B18 40.4(2) . . . . ? B15 C59 B13 B14 36.2(3) . . . . ? B16 C59 B13 B14 107.6(3) . . . . ? B12 C59 B13 B14 142.8(3) . . . . ? C60 B12 B13 C61 -0.4(6) . . . . ? C59 B12 B13 C61 109.9(4) . . . . ? B17 B12 B13 C61 -154.8(4) . . . . ? B18 B12 B13 C61 -116.8(4) . . . . ? B16 B12 B13 C61 141.5(4) . . . . ? C60 B12 B13 C59 -110.3(4) . . . . ? B17 B12 B13 C59 95.2(3) . . . . ? B18 B12 B13 C59 133.3(3) . . . . ? B16 B12 B13 C59 31.6(3) . . . . ? C60 B12 B13 B19 153.8(4) . . . . ? C59 B12 B13 B19 -95.8(3) . . . . ? B17 B12 B13 B19 -0.6(4) . . . . ? B18 B12 B13 B19 37.5(3) . . . . ? B16 B12 B13 B19 -64.2(4) . . . . ? C60 B12 B13 B18 116.4(4) . . . . ? C59 B12 B13 B18 -133.3(3) . . . . ? B17 B12 B13 B18 -38.1(3) . . . . ? B16 B12 B13 B18 -101.7(3) . . . . ? C60 B12 B13 B14 -143.1(4) . . . . ? C59 B12 B13 B14 -32.8(3) . . . . ? B17 B12 B13 B14 62.4(4) . . . . ? B18 B12 B13 B14 100.5(3) . . . . ? B16 B12 B13 B14 -1.2(4) . . . . ? B15 C59 B14 C62 107.9(4) . . . . ? B16 C59 B14 C62 144.5(3) . . . . ? B13 C59 B14 C62 -108.7(4) . . . . ? B12 C59 B14 C62 -144.9(3) . . . . ? B15 C59 B14 B20 -40.4(2) . . . . ? B16 C59 B14 B20 -3.7(4) . . . . ? B13 C59 B14 B20 103.1(3) . . . . ? B12 C59 B14 B20 66.9(3) . . . . ? B15 C59 B14 B19 -103.1(3) . . . . ? B16 C59 B14 B19 -66.5(3) . . . . ? B13 C59 B14 B19 40.3(3) . . . . ? B12 C59 B14 B19 4.1(4) . . . . ? B15 C59 B14 B13 -143.5(3) . . . . ? B16 C59 B14 B13 -106.8(3) . . . . ? B12 C59 B14 B13 -36.2(3) . . . . ? B16 C59 B14 B15 36.7(3) . . . . ? B13 C59 B14 B15 143.5(3) . . . . ? B12 C59 B14 B15 107.2(3) . . . . ? C61 B13 B14 C62 -0.4(5) . . . . ? C59 B13 B14 C62 109.6(3) . . . . ? B12 B13 B14 C62 142.6(3) . . . . ? B19 B13 B14 C62 -116.7(4) . . . . ? B18 B13 B14 C62 -154.4(3) . . . . ? C61 B13 B14 C59 -110.0(4) . . . . ? B12 B13 B14 C59 33.0(3) . . . . ? B19 B13 B14 C59 133.7(3) . . . . ? B18 B13 B14 C59 96.0(3) . . . . ? C61 B13 B14 B20 154.7(3) . . . . ? C59 B13 B14 B20 -95.3(3) . . . . ? B12 B13 B14 B20 -62.4(4) . . . . ? B19 B13 B14 B20 38.3(3) . . . . ? B18 B13 B14 B20 0.7(4) . . . . ? C61 B13 B14 B19 116.3(4) . . . . ? C59 B13 B14 B19 -133.7(3) . . . . ? B12 B13 B14 B19 -100.7(3) . . . . ? B18 B13 B14 B19 -37.6(3) . . . . ? C61 B13 B14 B15 -142.1(3) . . . . ? C59 B13 B14 B15 -32.1(2) . . . . ? B12 B13 B14 B15 0.8(4) . . . . ? B19 B13 B14 B15 101.6(3) . . . . ? B18 B13 B14 B15 63.9(3) . . . . ? B16 C59 B15 C63 107.8(3) . . . . ? B14 C59 B15 C63 -109.0(3) . . . . ? B13 C59 B15 C63 -145.1(3) . . . . ? B12 C59 B15 C63 144.6(3) . . . . ? B16 C59 B15 B21 -40.4(2) . . . . ? B14 C59 B15 B21 102.7(3) . . . . ? B13 C59 B15 B21 66.6(3) . . . . ? B12 C59 B15 B21 -3.7(3) . . . . ? B16 C59 B15 B20 -102.9(3) . . . . ? B14 C59 B15 B20 40.2(2) . . . . ? B13 C59 B15 B20 4.1(4) . . . . ? B12 C59 B15 B20 -66.2(3) . . . . ? B16 C59 B15 B14 -143.1(3) . . . . ? B13 C59 B15 B14 -36.1(3) . . . . ? B12 C59 B15 B14 -106.4(3) . . . . ? B14 C59 B15 B16 143.1(3) . . . . ? B13 C59 B15 B16 107.0(3) . . . . ? B12 C59 B15 B16 36.7(3) . . . . ? C62 B14 B15 C63 0.8(5) . . . . ? C59 B14 B15 C63 110.5(3) . . . . ? B20 B14 B15 C63 -116.2(3) . . . . ? B19 B14 B15 C63 -153.7(3) . . . . ? B13 B14 B15 C63 142.8(3) . . . . ? C62 B14 B15 C59 -109.7(3) . . . . ? B20 B14 B15 C59 133.3(3) . . . . ? B19 B14 B15 C59 95.8(3) . . . . ? B13 B14 B15 C59 32.3(3) . . . . ? C62 B14 B15 B21 154.8(3) . . . . ? C59 B14 B15 B21 -95.5(3) . . . . ? B20 B14 B15 B21 37.8(2) . . . . ? B19 B14 B15 B21 0.3(3) . . . . ? B13 B14 B15 B21 -63.3(3) . . . . ? C62 B14 B15 B20 117.0(3) . . . . ? C59 B14 B15 B20 -133.3(3) . . . . ? B19 B14 B15 B20 -37.5(2) . . . . ? B13 B14 B15 B20 -101.0(3) . . . . ? C62 B14 B15 B16 -142.1(3) . . . . ? C59 B14 B15 B16 -32.4(2) . . . . ? B20 B14 B15 B16 100.9(3) . . . . ? B19 B14 B15 B16 63.4(3) . . . . ? B13 B14 B15 B16 -0.2(4) . . . . ? B15 C59 B16 C64 -108.1(3) . . . . ? B14 C59 B16 C64 -144.7(3) . . . . ? B13 C59 B16 C64 144.4(3) . . . . ? B12 C59 B16 C64 109.3(3) . . . . ? B15 C59 B16 B17 102.6(3) . . . . ? B14 C59 B16 B17 66.0(3) . . . . ? B13 C59 B16 B17 -4.9(3) . . . . ? B12 C59 B16 B17 -40.0(2) . . . . ? B15 C59 B16 B21 40.2(2) . . . . ? B14 C59 B16 B21 3.6(4) . . . . ? B13 C59 B16 B21 -67.3(3) . . . . ? B12 C59 B16 B21 -102.4(3) . . . . ? B15 C59 B16 B12 142.6(3) . . . . ? B14 C59 B16 B12 106.0(3) . . . . ? B13 C59 B16 B12 35.1(3) . . . . ? B14 C59 B16 B15 -36.6(3) . . . . ? B13 C59 B16 B15 -107.5(3) . . . . ? B12 C59 B16 B15 -142.6(3) . . . . ? C60 B12 B16 C64 1.9(5) . . . . ? C59 B12 B16 C64 -109.4(3) . . . . ? B17 B12 B16 C64 116.9(3) . . . . ? B18 B12 B16 C64 155.0(3) . . . . ? B13 B12 B16 C64 -141.1(3) . . . . ? C60 B12 B16 C59 111.3(4) . . . . ? B17 B12 B16 C59 -133.7(3) . . . . ? B18 B12 B16 C59 -95.7(3) . . . . ? B13 B12 B16 C59 -31.7(3) . . . . ? C60 B12 B16 B17 -115.0(4) . . . . ? C59 B12 B16 B17 133.7(3) . . . . ? B18 B12 B16 B17 38.0(3) . . . . ? B13 B12 B16 B17 102.0(3) . . . . ? C60 B12 B16 B21 -153.1(3) . . . . ? C59 B12 B16 B21 95.7(3) . . . . ? B17 B12 B16 B21 -38.1(2) . . . . ? B18 B12 B16 B21 0.0(4) . . . . ? B13 B12 B16 B21 63.9(4) . . . . ? C60 B12 B16 B15 144.1(3) . . . . ? C59 B12 B16 B15 32.8(2) . . . . ? B17 B12 B16 B15 -100.9(3) . . . . ? B18 B12 B16 B15 -62.8(3) . . . . ? B13 B12 B16 B15 1.1(4) . . . . ? C63 B15 B16 C64 -1.3(5) . . . . ? C59 B15 B16 C64 109.5(3) . . . . ? B21 B15 B16 C64 -117.3(3) . . . . ? B20 B15 B16 C64 -155.2(3) . . . . ? B14 B15 B16 C64 142.0(3) . . . . ? C63 B15 B16 C59 -110.8(3) . . . . ? B21 B15 B16 C59 133.3(3) . . . . ? B20 B15 B16 C59 95.4(3) . . . . ? B14 B15 B16 C59 32.5(2) . . . . ? C63 B15 B16 B17 153.2(3) . . . . ? C59 B15 B16 B17 -96.0(3) . . . . ? B21 B15 B16 B17 37.3(2) . . . . ? B20 B15 B16 B17 -0.6(3) . . . . ? B14 B15 B16 B17 -63.5(3) . . . . ? C63 B15 B16 B21 115.9(3) . . . . ? C59 B15 B16 B21 -133.3(3) . . . . ? B20 B15 B16 B21 -37.9(2) . . . . ? B14 B15 B16 B21 -100.8(3) . . . . ? C63 B15 B16 B12 -143.9(3) . . . . ? C59 B15 B16 B12 -33.1(3) . . . . ? B21 B15 B16 B12 100.2(3) . . . . ? B20 B15 B16 B12 62.3(3) . . . . ? B14 B15 B16 B12 -0.6(4) . . . . ? C60 B12 B17 C65 -4.9(6) . . . . ? C59 B12 B17 C65 -150.1(3) . . . . ? B18 B12 B17 C65 111.0(4) . . . . ? B13 B12 B17 C65 148.6(3) . . . . ? B16 B12 B17 C65 -110.8(4) . . . . ? C60 B12 B17 B16 105.9(4) . . . . ? C59 B12 B17 B16 -39.4(2) . . . . ? B18 B12 B17 B16 -138.3(3) . . . . ? B13 B12 B17 B16 -100.6(3) . . . . ? C60 B12 B17 B21 144.0(4) . . . . ? C59 B12 B17 B21 -1.3(3) . . . . ? B18 B12 B17 B21 -100.2(3) . . . . ? B13 B12 B17 B21 -62.5(4) . . . . ? B16 B12 B17 B21 38.1(2) . . . . ? C60 B12 B17 B22 -152.9(4) . . . . ? C59 B12 B17 B22 61.8(3) . . . . ? B18 B12 B17 B22 -37.1(3) . . . . ? B13 B12 B17 B22 0.6(4) . . . . ? B16 B12 B17 B22 101.2(3) . . . . ? C60 B12 B17 B18 -115.8(4) . . . . ? C59 B12 B17 B18 98.9(3) . . . . ? B13 B12 B17 B18 37.7(3) . . . . ? B16 B12 B17 B18 138.3(3) . . . . ? C64 B16 B17 C65 3.5(5) . . . . ? C59 B16 B17 C65 150.3(3) . . . . ? B21 B16 B17 C65 -112.0(3) . . . . ? B12 B16 B17 C65 110.7(3) . . . . ? B15 B16 B17 C65 -148.9(3) . . . . ? C64 B16 B17 B12 -107.2(4) . . . . ? C59 B16 B17 B12 39.7(2) . . . . ? B21 B16 B17 B12 137.4(3) . . . . ? B15 B16 B17 B12 100.4(3) . . . . ? C64 B16 B17 B21 115.4(4) . . . . ? C59 B16 B17 B21 -97.7(3) . . . . ? B12 B16 B17 B21 -137.4(3) . . . . ? B15 B16 B17 B21 -36.9(2) . . . . ? C64 B16 B17 B22 152.4(3) . . . . ? C59 B16 B17 B22 -60.7(3) . . . . ? B21 B16 B17 B22 37.0(2) . . . . ? B12 B16 B17 B22 -100.4(3) . . . . ? B15 B16 B17 B22 0.0(3) . . . . ? C64 B16 B17 B18 -144.4(3) . . . . ? C59 B16 B17 B18 2.5(3) . . . . ? B21 B16 B17 B18 100.2(3) . . . . ? B12 B16 B17 B18 -37.2(2) . . . . ? B15 B16 B17 B18 63.2(3) . . . . ? C60 B12 B18 C66 2.5(6) . . . . ? C59 B12 B18 C66 151.0(4) . . . . ? B17 B12 B18 C66 -110.5(4) . . . . ? B13 B12 B18 C66 111.1(4) . . . . ? B16 B12 B18 C66 -148.0(4) . . . . ? C60 B12 B18 B13 -108.6(4) . . . . ? C59 B12 B18 B13 39.9(2) . . . . ? B17 B12 B18 B13 138.3(3) . . . . ? B16 B12 B18 B13 100.9(3) . . . . ? C60 B12 B18 B22 150.1(3) . . . . ? C59 B12 B18 B22 -61.3(3) . . . . ? B17 B12 B18 B22 37.1(3) . . . . ? B13 B12 B18 B22 -101.2(3) . . . . ? B16 B12 B18 B22 -0.4(4) . . . . ? C60 B12 B18 B19 -145.8(3) . . . . ? C59 B12 B18 B19 2.7(4) . . . . ? B17 B12 B18 B19 101.1(3) . . . . ? B13 B12 B18 B19 -37.2(3) . . . . ? B16 B12 B18 B19 63.6(4) . . . . ? C60 B12 B18 B17 113.1(4) . . . . ? C59 B12 B18 B17 -98.4(3) . . . . ? B13 B12 B18 B17 -138.3(3) . . . . ? B16 B12 B18 B17 -37.5(2) . . . . ? C61 B13 B18 C66 -2.8(5) . . . . ? C59 B13 B18 C66 -150.0(3) . . . . ? B12 B13 B18 C66 -110.0(4) . . . . ? B19 B13 B18 C66 111.7(4) . . . . ? B14 B13 B18 C66 149.0(3) . . . . ? C61 B13 B18 B12 107.2(4) . . . . ? C59 B13 B18 B12 -40.0(2) . . . . ? B19 B13 B18 B12 -138.3(3) . . . . ? B14 B13 B18 B12 -100.9(3) . . . . ? C61 B13 B18 B22 -152.8(3) . . . . ? C59 B13 B18 B22 60.1(3) . . . . ? B12 B13 B18 B22 100.1(3) . . . . ? B19 B13 B18 B22 -38.2(3) . . . . ? B14 B13 B18 B22 -0.9(4) . . . . ? C61 B13 B18 B19 -114.5(4) . . . . ? C59 B13 B18 B19 98.3(3) . . . . ? B12 B13 B18 B19 138.3(3) . . . . ? B14 B13 B18 B19 37.3(3) . . . . ? C61 B13 B18 B17 144.0(3) . . . . ? C59 B13 B18 B17 -3.2(3) . . . . ? B12 B13 B18 B17 36.8(2) . . . . ? B19 B13 B18 B17 -101.5(3) . . . . ? B14 B13 B18 B17 -64.2(3) . . . . ? C65 B17 B18 C66 -0.3(5) . . . . ? B12 B17 B18 C66 109.7(4) . . . . ? B16 B17 B18 C66 147.4(4) . . . . ? B21 B17 B18 C66 -149.3(4) . . . . ? B22 B17 B18 C66 -112.0(4) . . . . ? C65 B17 B18 B12 -110.0(3) . . . . ? B16 B17 B18 B12 37.6(2) . . . . ? B21 B17 B18 B12 101.0(3) . . . . ? B22 B17 B18 B12 138.3(3) . . . . ? C65 B17 B18 B13 -147.2(3) . . . . ? B12 B17 B18 B13 -37.2(3) . . . . ? B16 B17 B18 B13 0.5(3) . . . . ? B21 B17 B18 B13 63.9(3) . . . . ? B22 B17 B18 B13 101.1(3) . . . . ? C65 B17 B18 B22 111.7(4) . . . . ? B12 B17 B18 B22 -138.3(3) . . . . ? B16 B17 B18 B22 -100.7(3) . . . . ? B21 B17 B18 B22 -37.3(3) . . . . ? C65 B17 B18 B19 149.6(3) . . . . ? B12 B17 B18 B19 -100.4(3) . . . . ? B16 B17 B18 B19 -62.7(3) . . . . ? B21 B17 B18 B19 0.7(4) . . . . ? B22 B17 B18 B19 37.9(3) . . . . ? C62 B14 B19 C67 -3.5(5) . . . . ? C59 B14 B19 C67 -150.3(3) . . . . ? B20 B14 B19 C67 111.8(4) . . . . ? B13 B14 B19 C67 -110.7(4) . . . . ? B15 B14 B19 C67 148.9(3) . . . . ? C62 B14 B19 B13 107.2(4) . . . . ? C59 B14 B19 B13 -39.6(2) . . . . ? B20 B14 B19 B13 -137.5(3) . . . . ? B15 B14 B19 B13 -100.4(3) . . . . ? C62 B14 B19 B20 -115.3(4) . . . . ? C59 B14 B19 B20 97.9(3) . . . . ? B13 B14 B19 B20 137.5(3) . . . . ? B15 B14 B19 B20 37.1(2) . . . . ? C62 B14 B19 B18 144.7(3) . . . . ? C59 B14 B19 B18 -2.1(4) . . . . ? B20 B14 B19 B18 -100.0(3) . . . . ? B13 B14 B19 B18 37.5(3) . . . . ? B15 B14 B19 B18 -62.9(3) . . . . ? C62 B14 B19 B22 -152.4(3) . . . . ? C59 B14 B19 B22 60.9(3) . . . . ? B20 B14 B19 B22 -37.0(2) . . . . ? B13 B14 B19 B22 100.4(3) . . . . ? B15 B14 B19 B22 0.0(3) . . . . ? C61 B13 B19 C67 2.6(6) . . . . ? C59 B13 B19 C67 148.7(3) . . . . ? B12 B13 B19 C67 -149.9(3) . . . . ? B18 B13 B19 C67 -112.7(4) . . . . ? B14 B13 B19 C67 109.3(4) . . . . ? C61 B13 B19 B14 -106.7(4) . . . . ? C59 B13 B19 B14 39.4(2) . . . . ? B12 B13 B19 B14 100.8(3) . . . . ? B18 B13 B19 B14 138.0(3) . . . . ? C61 B13 B19 B20 -144.4(4) . . . . ? C59 B13 B19 B20 1.8(4) . . . . ? B12 B13 B19 B20 63.1(4) . . . . ? B18 B13 B19 B20 100.3(3) . . . . ? B14 B13 B19 B20 -37.7(3) . . . . ? C61 B13 B19 B18 115.3(4) . . . . ? C59 B13 B19 B18 -98.5(3) . . . . ? B12 B13 B19 B18 -37.2(3) . . . . ? B14 B13 B19 B18 -138.0(3) . . . . ? C61 B13 B19 B22 152.8(4) . . . . ? C59 B13 B19 B22 -61.0(3) . . . . ? B12 B13 B19 B22 0.4(4) . . . . ? B18 B13 B19 B22 37.5(3) . . . . ? B14 B13 B19 B22 -100.4(3) . . . . ? C66 B18 B19 C67 -1.1(6) . . . . ? B12 B18 B19 C67 146.7(4) . . . . ? B13 B18 B19 C67 109.4(4) . . . . ? B22 B18 B19 C67 -113.0(4) . . . . ? B17 B18 B19 C67 -150.6(4) . . . . ? C66 B18 B19 B14 -148.2(4) . . . . ? B12 B18 B19 B14 -0.4(4) . . . . ? B13 B18 B19 B14 -37.7(3) . . . . ? B22 B18 B19 B14 99.8(3) . . . . ? B17 B18 B19 B14 62.2(4) . . . . ? C66 B18 B19 B13 -110.4(4) . . . . ? B12 B18 B19 B13 37.3(3) . . . . ? B22 B18 B19 B13 137.6(3) . . . . ? B17 B18 B19 B13 100.0(3) . . . . ? C66 B18 B19 B20 149.0(4) . . . . ? B12 B18 B19 B20 -63.2(4) . . . . ? B13 B18 B19 B20 -100.6(3) . . . . ? B22 B18 B19 B20 37.0(3) . . . . ? B17 B18 B19 B20 -0.6(4) . . . . ? C66 B18 B19 B22 112.0(4) . . . . ? B12 B18 B19 B22 -100.3(3) . . . . ? B13 B18 B19 B22 -137.6(3) . . . . ? B17 B18 B19 B22 -37.6(3) . . . . ? C62 B14 B20 C68 3.6(5) . . . . ? C59 B14 B20 C68 149.5(3) . . . . ? B19 B14 B20 C68 -111.5(4) . . . . ? B13 B14 B20 C68 -149.5(3) . . . . ? B15 B14 B20 C68 109.9(4) . . . . ? C62 B14 B20 B15 -106.3(4) . . . . ? C59 B14 B20 B15 39.6(2) . . . . ? B19 B14 B20 B15 138.6(3) . . . . ? B13 B14 B20 B15 100.5(3) . . . . ? C62 B14 B20 B22 152.9(3) . . . . ? C59 B14 B20 B22 -61.2(3) . . . . ? B19 B14 B20 B22 37.8(3) . . . . ? B13 B14 B20 B22 -0.2(3) . . . . ? B15 B14 B20 B22 -100.8(3) . . . . ? C62 B14 B20 B21 -143.8(3) . . . . ? C59 B14 B20 B21 2.1(3) . . . . ? B19 B14 B20 B21 101.1(3) . . . . ? B13 B14 B20 B21 63.1(3) . . . . ? B15 B14 B20 B21 -37.5(2) . . . . ? C62 B14 B20 B19 115.1(4) . . . . ? C59 B14 B20 B19 -99.0(3) . . . . ? B13 B14 B20 B19 -38.0(2) . . . . ? B15 B14 B20 B19 -138.6(3) . . . . ? C63 B15 B20 C68 -2.7(5) . . . . ? C59 B15 B20 C68 -150.2(3) . . . . ? B21 B15 B20 C68 111.5(4) . . . . ? B14 B15 B20 C68 -110.5(4) . . . . ? B16 B15 B20 C68 149.1(3) . . . . ? C63 B15 B20 B14 107.8(4) . . . . ? C59 B15 B20 B14 -39.7(2) . . . . ? B21 B15 B20 B14 -138.0(3) . . . . ? B16 B15 B20 B14 -100.4(3) . . . . ? C63 B15 B20 B22 -150.8(3) . . . . ? C59 B15 B20 B22 61.7(3) . . . . ? B21 B15 B20 B22 -36.6(2) . . . . ? B14 B15 B20 B22 101.4(3) . . . . ? B16 B15 B20 B22 0.9(3) . . . . ? C63 B15 B20 B21 -114.3(4) . . . . ? C59 B15 B20 B21 98.3(3) . . . . ? B14 B15 B20 B21 138.0(3) . . . . ? B16 B15 B20 B21 37.5(2) . . . . ? C63 B15 B20 B19 144.8(3) . . . . ? C59 B15 B20 B19 -2.6(3) . . . . ? B21 B15 B20 B19 -100.9(3) . . . . ? B14 B15 B20 B19 37.1(3) . . . . ? B16 B15 B20 B19 -63.4(3) . . . . ? C67 B19 B20 C68 1.0(5) . . . . ? B14 B19 B20 C68 109.4(4) . . . . ? B13 B19 B20 C68 147.5(3) . . . . ? B18 B19 B20 C68 -149.4(3) . . . . ? B22 B19 B20 C68 -112.4(4) . . . . ? C67 B19 B20 B14 -108.5(4) . . . . ? B13 B19 B20 B14 38.0(3) . . . . ? B18 B19 B20 B14 101.1(3) . . . . ? B22 B19 B20 B14 138.2(3) . . . . ? C67 B19 B20 B15 -146.0(3) . . . . ? B14 B19 B20 B15 -37.5(2) . . . . ? B13 B19 B20 B15 0.5(4) . . . . ? B18 B19 B20 B15 63.6(4) . . . . ? B22 B19 B20 B15 100.7(3) . . . . ? C67 B19 B20 B22 113.4(4) . . . . ? B14 B19 B20 B22 -138.2(3) . . . . ? B13 B19 B20 B22 -100.1(3) . . . . ? B18 B19 B20 B22 -37.0(3) . . . . ? C67 B19 B20 B21 150.7(3) . . . . ? B14 B19 B20 B21 -100.8(3) . . . . ? B13 B19 B20 B21 -62.8(3) . . . . ? B18 B19 B20 B21 0.3(4) . . . . ? B22 B19 B20 B21 37.3(2) . . . . ? C63 B15 B21 C69 2.2(5) . . . . ? C59 B15 B21 C69 148.8(3) . . . . ? B20 B15 B21 C69 -112.9(3) . . . . ? B14 B15 B21 C69 -150.2(3) . . . . ? B16 B15 B21 C69 109.2(3) . . . . ? C63 B15 B21 B16 -107.0(4) . . . . ? C59 B15 B21 B16 39.7(2) . . . . ? B20 B15 B21 B16 137.9(3) . . . . ? B14 B15 B21 B16 100.6(3) . . . . ? C63 B15 B21 B22 151.9(3) . . . . ? C59 B15 B21 B22 -61.4(3) . . . . ? B20 B15 B21 B22 36.8(2) . . . . ? B14 B15 B21 B22 -0.5(3) . . . . ? B16 B15 B21 B22 -101.1(3) . . . . ? C63 B15 B21 B17 -144.1(3) . . . . ? C59 B15 B21 B17 2.6(3) . . . . ? B20 B15 B21 B17 100.8(3) . . . . ? B14 B15 B21 B17 63.5(3) . . . . ? B16 B15 B21 B17 -37.1(2) . . . . ? C63 B15 B21 B20 115.1(4) . . . . ? C59 B15 B21 B20 -98.2(3) . . . . ? B14 B15 B21 B20 -37.3(2) . . . . ? B16 B15 B21 B20 -137.9(3) . . . . ? C64 B16 B21 C69 -4.3(5) . . . . ? C59 B16 B21 C69 -150.0(3) . . . . ? B17 B16 B21 C69 111.0(3) . . . . ? B12 B16 B21 C69 148.7(3) . . . . ? B15 B16 B21 C69 -110.5(3) . . . . ? C64 B16 B21 B15 106.2(4) . . . . ? C59 B16 B21 B15 -39.6(2) . . . . ? B17 B16 B21 B15 -138.5(3) . . . . ? B12 B16 B21 B15 -100.8(3) . . . . ? C64 B16 B21 B22 -152.6(3) . . . . ? C59 B16 B21 B22 61.6(3) . . . . ? B17 B16 B21 B22 -37.3(3) . . . . ? B12 B16 B21 B22 0.4(3) . . . . ? B15 B16 B21 B22 101.2(3) . . . . ? C64 B16 B21 B17 -115.3(4) . . . . ? C59 B16 B21 B17 98.9(3) . . . . ? B12 B16 B21 B17 37.7(3) . . . . ? B15 B16 B21 B17 138.5(3) . . . . ? C64 B16 B21 B20 143.8(3) . . . . ? C59 B16 B21 B20 -2.0(3) . . . . ? B17 B16 B21 B20 -100.9(3) . . . . ? B12 B16 B21 B20 -63.2(3) . . . . ? B15 B16 B21 B20 37.6(3) . . . . ? C65 B17 B21 C69 1.6(5) . . . . ? B12 B17 B21 C69 -146.8(3) . . . . ? B16 B17 B21 C69 -108.4(3) . . . . ? B22 B17 B21 C69 113.0(3) . . . . ? B18 B17 B21 C69 150.3(3) . . . . ? C65 B17 B21 B15 147.6(3) . . . . ? B12 B17 B21 B15 -0.8(4) . . . . ? B16 B17 B21 B15 37.5(2) . . . . ? B22 B17 B21 B15 -101.0(3) . . . . ? B18 B17 B21 B15 -63.8(3) . . . . ? C65 B17 B21 B16 110.0(4) . . . . ? B12 B17 B21 B16 -38.3(3) . . . . ? B22 B17 B21 B16 -138.6(3) . . . . ? B18 B17 B21 B16 -101.3(3) . . . . ? C65 B17 B21 B22 -111.4(4) . . . . ? B12 B17 B21 B22 100.2(3) . . . . ? B16 B17 B21 B22 138.6(3) . . . . ? B18 B17 B21 B22 37.3(3) . . . . ? C65 B17 B21 B20 -149.1(3) . . . . ? B12 B17 B21 B20 62.5(3) . . . . ? B16 B17 B21 B20 100.8(3) . . . . ? B22 B17 B21 B20 -37.7(3) . . . . ? B18 B17 B21 B20 -0.5(4) . . . . ? C68 B20 B21 C69 -0.3(5) . . . . ? B14 B20 B21 C69 146.7(3) . . . . ? B15 B20 B21 C69 108.7(4) . . . . ? B22 B20 B21 C69 -112.3(4) . . . . ? B19 B20 B21 C69 -150.0(3) . . . . ? C68 B20 B21 B15 -109.0(4) . . . . ? B14 B20 B21 B15 37.9(3) . . . . ? B22 B20 B21 B15 139.0(3) . . . . ? B19 B20 B21 B15 101.3(3) . . . . ? C68 B20 B21 B16 -147.0(3) . . . . ? B14 B20 B21 B16 0.0(4) . . . . ? B15 B20 B21 B16 -38.0(3) . . . . ? B22 B20 B21 B16 101.0(3) . . . . ? B19 B20 B21 B16 63.3(3) . . . . ? C68 B20 B21 B22 112.0(4) . . . . ? B14 B20 B21 B22 -101.1(3) . . . . ? B15 B20 B21 B22 -139.0(3) . . . . ? B19 B20 B21 B22 -37.7(3) . . . . ? C68 B20 B21 B17 149.8(3) . . . . ? B14 B20 B21 B17 -63.2(3) . . . . ? B15 B20 B21 B17 -101.2(3) . . . . ? B22 B20 B21 B17 37.8(3) . . . . ? B19 B20 B21 B17 0.1(4) . . . . ? C69 B21 B22 C70 1.6(5) . . . . ? B15 B21 B22 C70 -147.2(3) . . . . ? B16 B21 B22 C70 148.6(3) . . . . ? B17 B21 B22 C70 111.6(4) . . . . ? B20 B21 B22 C70 -110.5(3) . . . . ? C69 B21 B22 B20 112.1(3) . . . . ? B15 B21 B22 B20 -36.7(2) . . . . ? B16 B21 B22 B20 -100.9(3) . . . . ? B17 B21 B22 B20 -137.9(3) . . . . ? C69 B21 B22 B18 -147.6(3) . . . . ? B15 B21 B22 B18 63.6(3) . . . . ? B16 B21 B22 B18 -0.7(4) . . . . ? B17 B21 B22 B18 -37.6(3) . . . . ? B20 B21 B22 B18 100.3(3) . . . . ? C69 B21 B22 B17 -110.0(3) . . . . ? B15 B21 B22 B17 101.2(3) . . . . ? B16 B21 B22 B17 37.0(3) . . . . ? B20 B21 B22 B17 137.9(3) . . . . ? C69 B21 B22 B19 149.3(3) . . . . ? B15 B21 B22 B19 0.5(3) . . . . ? B16 B21 B22 B19 -63.8(3) . . . . ? B17 B21 B22 B19 -100.7(3) . . . . ? B20 B21 B22 B19 37.2(2) . . . . ? C68 B20 B22 C70 0.4(5) . . . . ? B14 B20 B22 C70 -148.1(3) . . . . ? B15 B20 B22 C70 147.6(3) . . . . ? B21 B20 B22 C70 111.1(4) . . . . ? B19 B20 B22 C70 -110.7(4) . . . . ? C68 B20 B22 B21 -110.6(4) . . . . ? B14 B20 B22 B21 100.9(3) . . . . ? B15 B20 B22 B21 36.6(2) . . . . ? B19 B20 B22 B21 138.2(3) . . . . ? C68 B20 B22 B18 148.2(3) . . . . ? B14 B20 B22 B18 -0.3(4) . . . . ? B15 B20 B22 B18 -64.6(3) . . . . ? B21 B20 B22 B18 -101.2(3) . . . . ? B19 B20 B22 B18 37.1(3) . . . . ? C68 B20 B22 B17 -148.1(3) . . . . ? B14 B20 B22 B17 63.4(3) . . . . ? B15 B20 B22 B17 -0.9(4) . . . . ? B21 B20 B22 B17 -37.5(3) . . . . ? B19 B20 B22 B17 100.7(3) . . . . ? C68 B20 B22 B19 111.1(4) . . . . ? B14 B20 B22 B19 -37.4(3) . . . . ? B15 B20 B22 B19 -101.7(3) . . . . ? B21 B20 B22 B19 -138.2(3) . . . . ? C66 B18 B22 C70 -1.4(5) . . . . ? B12 B18 B22 C70 -148.4(3) . . . . ? B13 B18 B22 C70 148.2(3) . . . . ? B19 B18 B22 C70 110.4(4) . . . . ? B17 B18 B22 C70 -111.6(4) . . . . ? C66 B18 B22 B21 147.7(3) . . . . ? B12 B18 B22 B21 0.7(4) . . . . ? B13 B18 B22 B21 -62.8(3) . . . . ? B19 B18 B22 B21 -100.6(3) . . . . ? B17 B18 B22 B21 37.4(3) . . . . ? C66 B18 B22 B20 -148.8(3) . . . . ? B12 B18 B22 B20 64.1(3) . . . . ? B13 B18 B22 B20 0.7(4) . . . . ? B19 B18 B22 B20 -37.1(3) . . . . ? B17 B18 B22 B20 100.9(3) . . . . ? C66 B18 B22 B17 110.2(4) . . . . ? B12 B18 B22 B17 -36.8(3) . . . . ? B13 B18 B22 B17 -100.2(3) . . . . ? B19 B18 B22 B17 -138.0(3) . . . . ? C66 B18 B22 B19 -111.7(4) . . . . ? B12 B18 B22 B19 101.2(3) . . . . ? B13 B18 B22 B19 37.8(3) . . . . ? B17 B18 B22 B19 138.0(3) . . . . ? C65 B17 B22 C70 0.8(5) . . . . ? B12 B17 B22 C70 148.4(4) . . . . ? B16 B17 B22 C70 -147.6(3) . . . . ? B21 B17 B22 C70 -110.6(4) . . . . ? B18 B17 B22 C70 111.4(4) . . . . ? C65 B17 B22 B21 111.4(4) . . . . ? B12 B17 B22 B21 -101.1(3) . . . . ? B16 B17 B22 B21 -37.1(2) . . . . ? B18 B17 B22 B21 -138.1(3) . . . . ? C65 B17 B22 B20 149.0(3) . . . . ? B12 B17 B22 B20 -63.4(3) . . . . ? B16 B17 B22 B20 0.6(4) . . . . ? B21 B17 B22 B20 37.6(3) . . . . ? B18 B17 B22 B20 -100.4(3) . . . . ? C65 B17 B22 B18 -110.5(4) . . . . ? B12 B17 B22 B18 37.0(3) . . . . ? B16 B17 B22 B18 101.0(3) . . . . ? B21 B17 B22 B18 138.1(3) . . . . ? C65 B17 B22 B19 -147.9(3) . . . . ? B12 B17 B22 B19 -0.4(4) . . . . ? B16 B17 B22 B19 63.6(3) . . . . ? B21 B17 B22 B19 100.7(3) . . . . ? B18 B17 B22 B19 -37.4(3) . . . . ? C67 B19 B22 C70 0.1(5) . . . . ? B14 B19 B22 C70 147.4(3) . . . . ? B13 B19 B22 C70 -149.0(3) . . . . ? B20 B19 B22 C70 110.4(3) . . . . ? B18 B19 B22 C70 -111.4(4) . . . . ? C67 B19 B22 B21 -147.6(3) . . . . ? B14 B19 B22 B21 -0.3(3) . . . . ? B13 B19 B22 B21 63.2(3) . . . . ? B20 B19 B22 B21 -37.4(2) . . . . ? B18 B19 B22 B21 100.9(3) . . . . ? C67 B19 B22 B20 -110.3(4) . . . . ? B14 B19 B22 B20 37.0(2) . . . . ? B13 B19 B22 B20 100.6(3) . . . . ? B18 B19 B22 B20 138.2(3) . . . . ? C67 B19 B22 B18 111.5(4) . . . . ? B14 B19 B22 B18 -101.2(3) . . . . ? B13 B19 B22 B18 -37.7(3) . . . . ? B20 B19 B22 B18 -138.2(3) . . . . ? C67 B19 B22 B17 149.1(3) . . . . ? B14 B19 B22 B17 -63.6(3) . . . . ? B13 B19 B22 B17 0.0(4) . . . . ? B20 B19 B22 B17 -100.6(3) . . . . ? B18 B19 B22 B17 37.7(3) . . . . ? _diffrn_measured_fraction_theta_max 0.996 _diffrn_reflns_theta_full 25.00 _diffrn_measured_fraction_theta_full 0.998 _refine_diff_density_max 0.388 _refine_diff_density_min -0.303 _refine_diff_density_rms 0.065 # File processed with modiCIFer (v.3-27-2007). I.A.Guzei, UW-Madison.