2-methylpentane-4a _audit_creation_date 2020-01-12 _audit_creation_method ; Olex2 1.2-beta (compiled 2015.01.26 svn.r3150 for OlexSys, GUI svn.r4998) ; _publ_contact_author_address ? _publ_contact_author_email ? _publ_contact_author_name '' _publ_contact_author_phone ? _publ_section_references ; Dolomanov, O.V., Bourhis, L.J., Gildea, R.J, Howard, J.A.K. & Puschmann, H. (2009), J. Appl. Cryst. 42, 339-341. Sheldrick, G.M. (2008). Acta Cryst. A64, 112-122. ; _chemical_name_common ? _chemical_name_systematic ? _chemical_formula_moiety 'C96 H116 B20 Ir4 N8 S4, C6 H14' _chemical_formula_sum 'C106 H138 B20 Cl8 Ir4 N8 S4' _chemical_formula_weight 2921.08 _chemical_melting_point ? loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source 'C' 'C' 0.0150 0.0070 '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' 0.0070 0.0030 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Ir' 'Ir' -5.4390 5.4710 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'N' 'N' 0.0250 0.0140 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'S' 'S' 0.2920 0.4250 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Cl' 'Cl' 0.3290 0.5400 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _shelx_space_group_comment ; The symmetry employed for this shelxl refinement is uniquely defined by the following loop, which should always be used as a source of symmetry information in preference to the above space-group names. They are only intended as comments. ; _space_group_crystal_system 'monoclinic' _space_group_IT_number 14 _space_group_name_H-M_alt 'P 1 21/c 1' _space_group_name_Hall '-P 2ybc' loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y-1/2, z-1/2' _cell_length_a 16.1760(7) _cell_length_b 20.1918(9) _cell_length_c 19.1978(8) _cell_angle_alpha 90 _cell_angle_beta 101.191(2) _cell_angle_gamma 90 _cell_volume 6151.2(5) _cell_formula_units_Z 2 _cell_measurement_reflns_used 9336 _cell_measurement_temperature 173(2) _cell_measurement_theta_max 56.83 _cell_measurement_theta_min 3.43 _shelx_estimated_absorpt_T_max 0.335 _shelx_estimated_absorpt_T_min 0.282 _exptl_absorpt_coefficient_mu 7.378 _exptl_absorpt_correction_T_max 0.7512 _exptl_absorpt_correction_T_min 0.4715 _exptl_absorpt_correction_type 'multi-scan' _exptl_absorpt_process_details ; SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.1250 before and 0.0909 after correction. The Ratio of minimum to maximum transmission is 0.6277. The \l/2 correction factor is Not present. ; _exptl_absorpt_special_details ? _exptl_crystal_colour 'red' _exptl_crystal_density_diffrn 1.577 _exptl_crystal_density_meas ? _exptl_crystal_density_method ? _exptl_crystal_description 'block' _exptl_crystal_F_000 2876 _exptl_crystal_size_max 0.23 _exptl_crystal_size_mid 0.21 _exptl_crystal_size_min 0.19 _exptl_transmission_factor_max ? _exptl_transmission_factor_min ? _diffrn_reflns_av_R_equivalents 0.0627 _diffrn_reflns_av_unetI/netI 0.0508 _diffrn_reflns_Laue_measured_fraction_full 0.999 _diffrn_reflns_Laue_measured_fraction_max 0.999 _diffrn_reflns_limit_h_max 20 _diffrn_reflns_limit_h_min -20 _diffrn_reflns_limit_k_max 25 _diffrn_reflns_limit_k_min -21 _diffrn_reflns_limit_l_max 23 _diffrn_reflns_limit_l_min -23 _diffrn_reflns_number 56534 _diffrn_reflns_point_group_measured_fraction_full 0.999 _diffrn_reflns_point_group_measured_fraction_max 0.999 _diffrn_reflns_theta_full 53.594 _diffrn_reflns_theta_max 56.499 _diffrn_reflns_theta_min 3.081 _diffrn_ambient_temperature 172.99 _diffrn_detector_area_resol_mean ? _diffrn_measured_fraction_theta_full 0.999 _diffrn_measured_fraction_theta_max 0.999 _diffrn_measurement_device_type 'Bruker APEX-II CCD' _diffrn_measurement_method '\f and \w scans' _diffrn_radiation_type GaK\a _diffrn_radiation_wavelength 1.34138 _diffrn_source ? _diffrn_standards_number 0 _reflns_Friedel_coverage 0.000 _reflns_Friedel_fraction_full . _reflns_Friedel_fraction_max . _reflns_number_gt 10251 _reflns_number_total 12376 _reflns_special_details ; Reflections were merged by SHELXL according to the crystal class for the calculation of statistics and refinement. Structure factors included contributions from the .fab file. _reflns_Friedel_fraction is defined as the number of unique Friedel pairs measured divided by the number that would be possible theoretically, ignoring centric projections and systematic absences. ; _reflns_threshold_expression 'I > 2\s(I)' _computing_cell_refinement 'Bruker SAINT' _computing_data_collection 'Bruker APEX2' _computing_data_reduction 'Bruker SAINT' _computing_molecular_graphics 'Olex2 (Dolomanov et al., 2009)' _computing_publication_material 'Olex2 (Dolomanov et al., 2009)' _computing_structure_refinement 'XL (Sheldrick, 2008)' _computing_structure_solution 'SHELXS-97 (Sheldrick 2008)' _refine_diff_density_max 4.660 _refine_diff_density_min -1.690 _refine_diff_density_rms 0.207 _refine_ls_extinction_coef . _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.034 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 662 _refine_ls_number_reflns 12376 _refine_ls_number_restraints 111 _refine_ls_R_factor_all 0.0731 _refine_ls_R_factor_gt 0.0639 _refine_ls_restrained_S_all 1.041 _refine_ls_shift/su_max 0.001 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.1253P)^2^+18.2239P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.1847 _refine_ls_wR_factor_ref 0.1952 _refine_special_details ; 17 ISOR and 9 DFIX instructions were used to restrain solvents and Cp* fragments so that there were 111 restraints in the data. ; _olex2_refinement_description ; 1. Fixed Uiso At 1.2 times of: All B(H) groups, All C(H) groups, All C(H,H) groups At 1.5 times of: All C(H,H,H) groups 2. Restrained distances C49-C54 = C50-C52 2.55 with sigma of 0.04 C49-C50 = C50-C51 = C51-C52 1.52 with sigma of 0.03 C50-C54 1.52 with sigma of 0.02 C32-C33 1.4 with sigma of 0.02 C11-C13 = C15-C16 1.4 with sigma of 0.02 3. Uiso/Uaniso restraints and constraints Uanis(C11) \\sim Ueq, Uanis(C13) \\sim Ueq, Uanis(C14) \\sim Ueq, Uanis(C15) \\sim Ueq, Uanis(C16) \\sim Ueq, Uanis(C43) \\sim Ueq, Uanis(C44) \\sim Ueq, Uanis(C45) \\sim Ueq, Uanis(C46) \\sim Ueq: with sigma of 0.02 and sigma for terminal atoms of 0.04 Uanis(C47) \\sim Ueq, Uanis(C48) \\sim Ueq, Uanis(C49) \\sim Ueq, Uanis(C50) \\sim Ueq, Uanis(C51) \\sim Ueq, Uanis(C52) \\sim Ueq, Uanis(C53) \\sim Ueq: with sigma of 0.02 and sigma for terminal atoms of 0.04 Uanis(C54) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02 4. Others Fixed Sof: C49(0.5) H49A(0.5) H49B(0.5) H49C(0.5) C50(0.5) H50(0.5) C51(0.5) H51A(0.5) H51B(0.5) C52(0.5) H52A(0.5) H52B(0.5) C53(0.5) H53A(0.5) H53B(0.5) H53C(0.5) C54(0.5) H54A(0.5) H54B(0.5) H54C(0.5) 5.a Ternary CH refined with riding coordinates: C50(H50) 5.b Secondary CH2 refined with riding coordinates: C51(H51A,H51B), C52(H52A,H52B) 5.c Aromatic/amide H refined with riding coordinates: C4(H4A), C5(H5A), C6(H6A), C7(H7A), C8(H8A), C11(H11A), C13(H13), C14(H14), C15(H15), C16(H16), C17(H17), C18(H18), C20(H20), C21(H21), C22(H22), C23(H23), C24(H24), C25(H25), C27(H27), C28(H28) 5.d Idealised Me refined as rotating group: C34(H34A,H34B,H34C), C35(H35A,H35B,H35C), C36(H36A,H36B,H36C), C37(H37A,H37B, H37C), C38(H38A,H38B,H38C), C44(H44A,H44B,H44C), C45(H45A,H45B,H45C), C46(H46A, H46B,H46C), C47(H47A,H47B,H47C), C48(H48A,H48B,H48C), C49(H49A,H49B,H49C), C53(H53A,H53B,H53C), C54(H54A,H54B,H54C) 5.e Boron cage BH refined with riding coordinates: B3(H3), B4(H4), B5(H5), B6(H6), B7(H7), B8(H8), B9(H9), B11(H11) ; _atom_sites_solution_hydrogens geom _atom_sites_solution_primary ? _atom_sites_solution_secondary ? 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_site_symmetry_order _atom_site_calc_flag _atom_site_refinement_flags_posn _atom_site_refinement_flags_adp _atom_site_refinement_flags_occupancy _atom_site_disorder_assembly _atom_site_disorder_group Ir1 Ir 0.42568(2) 0.67805(2) 0.64936(2) 0.04975(13) Uani 1 1 d . . . . . Ir2 Ir 0.83454(2) 0.77059(2) 0.91504(2) 0.04770(13) Uani 1 1 d . . . . . S1 S 0.38141(12) 0.76457(10) 0.71517(11) 0.0547(4) Uani 1 1 d . . . . . S2 S 0.88382(12) 0.68775(10) 0.84953(13) 0.0605(5) Uani 1 1 d . . . . . N1 N 0.4610(4) 0.8332(3) 0.8314(3) 0.0531(14) Uani 1 1 d . . . . . N2 N 0.8089(5) 0.6080(4) 0.7451(4) 0.074(2) Uani 1 1 d . . . . . N3 N 0.3962(4) 0.6072(3) 0.7223(3) 0.0524(14) Uani 1 1 d . . . . . N4 N 0.1955(4) 0.3006(3) 1.0140(3) 0.0492(13) Uani 1 1 d . . . . . C1 C 0.5469(4) 0.7578(3) 0.7821(4) 0.0415(13) Uani 1 1 d . . . . . B2 B 0.5438(5) 0.6950(4) 0.7161(5) 0.0478(17) Uani 1 1 d . . . . . B3 B 0.5966(5) 0.7734(4) 0.7145(4) 0.0433(16) Uani 1 1 d . . . . . H3 H 0.5723 0.8083 0.6699 0.052 Uiso 1 1 calc R . . . . B4 B 0.6373(5) 0.8042(4) 0.8031(4) 0.0439(16) Uani 1 1 d . . . . . H4 H 0.6393 0.8583 0.8162 0.053 Uiso 1 1 calc R . . . . B5 B 0.6128(5) 0.7444(4) 0.8624(4) 0.0431(15) Uani 1 1 d . . . . . H5 H 0.5978 0.7586 0.9150 0.052 Uiso 1 1 calc R . . . . B6 B 0.5589(5) 0.6779(4) 0.8118(5) 0.0457(17) Uani 1 1 d . . . . . H6 H 0.5100 0.6485 0.8325 0.055 Uiso 1 1 calc R . . . . B7 B 0.6260(5) 0.6414(4) 0.7612(5) 0.0529(19) Uani 1 1 d . . . . . H7 H 0.6238 0.5872 0.7485 0.064 Uiso 1 1 calc R . . . . B8 B 0.6503(5) 0.7010(4) 0.7003(5) 0.0520(18) Uani 1 1 d . . . . . H8 H 0.6647 0.6868 0.6475 0.062 Uiso 1 1 calc R . . . . B9 B 0.7053(5) 0.7674(4) 0.7520(4) 0.0447(16) Uani 1 1 d . . . . . H9 H 0.7545 0.7964 0.7314 0.054 Uiso 1 1 calc R . . . . B10 B 0.7198(5) 0.7512(4) 0.8479(5) 0.0468(18) Uani 1 1 d . . . . . B11 B 0.6668(5) 0.6713(4) 0.8494(5) 0.0462(17) Uani 1 1 d . . . . . H11 H 0.6910 0.6361 0.8938 0.055 Uiso 1 1 calc R . . . . C12 C 0.7164(4) 0.6883(3) 0.7814(4) 0.0478(15) Uani 1 1 d . . . . . C2 C 0.4639(4) 0.7898(4) 0.7823(4) 0.0479(15) Uani 1 1 d . . . . . C3 C 0.3835(5) 0.8630(4) 0.8385(4) 0.0532(17) Uani 1 1 d . . . . . C4 C 0.3713(6) 0.9304(5) 0.8265(6) 0.075(2) Uani 1 1 d . . . . . H4A H 0.4133 0.9554 0.8099 0.090 Uiso 1 1 calc R . . . . C5 C 0.2998(7) 0.9617(6) 0.8382(7) 0.087(3) Uani 1 1 d . . . . . H5A H 0.2919 1.0076 0.8279 0.104 Uiso 1 1 calc R . . . . C6 C 0.2404(6) 0.9274(6) 0.8643(6) 0.084(3) Uani 1 1 d . . . . . H6A H 0.1915 0.9492 0.8731 0.101 Uiso 1 1 calc R . . . . C7 C 0.2519(7) 0.8595(7) 0.8781(6) 0.089(3) Uani 1 1 d . . . . . H7A H 0.2102 0.8350 0.8958 0.107 Uiso 1 1 calc R . . . . C8 C 0.3238(6) 0.8281(5) 0.8659(5) 0.074(2) Uani 1 1 d . . . . . H8A H 0.3321 0.7823 0.8764 0.089 Uiso 1 1 calc R . . . . C9 C 0.8013(5) 0.6557(4) 0.7856(4) 0.0549(17) Uani 1 1 d . . . . . C10 C 0.8905(7) 0.5762(6) 0.7538(6) 0.091(4) Uani 1 1 d . . . . . C11 C 0.9041(9) 0.5162(7) 0.7795(10) 0.131(5) Uani 1 1 d D U . . . H11A H 0.8602 0.4949 0.7975 0.157 Uiso 1 1 calc R . . . . C13 C 0.9823(9) 0.4807(8) 0.7818(10) 0.126(5) Uani 1 1 d D U . . . H13 H 0.9891 0.4367 0.7997 0.151 Uiso 1 1 calc R . . . . C14 C 1.0446(10) 0.5116(9) 0.7582(9) 0.127(5) Uani 1 1 d . U . . . H14 H 1.0958 0.4884 0.7585 0.153 Uiso 1 1 calc R . . . . C15 C 1.0374(9) 0.5748(10) 0.7337(11) 0.138(6) Uani 1 1 d D U . . . H15 H 1.0836 0.5959 0.7191 0.165 Uiso 1 1 calc R . . . . C16 C 0.9593(8) 0.6093(8) 0.7302(8) 0.109(4) Uani 1 1 d D U . . . H16 H 0.9529 0.6534 0.7126 0.131 Uiso 1 1 calc R . . . . C17 C 0.4395(5) 0.5499(4) 0.7313(5) 0.0584(18) Uani 1 1 d . . . . . H17 H 0.4884 0.5455 0.7111 0.070 Uiso 1 1 calc R . . . . C18 C 0.4156(6) 0.4975(4) 0.7687(5) 0.063(2) Uani 1 1 d . . . . . H18 H 0.4470 0.4575 0.7729 0.076 Uiso 1 1 calc R . . . . C19 C 0.3453(5) 0.5032(4) 0.8003(5) 0.063(2) Uani 1 1 d . . . . . C20 C 0.3003(5) 0.5623(4) 0.7893(5) 0.068(2) Uani 1 1 d . . . . . H20 H 0.2509 0.5677 0.8087 0.082 Uiso 1 1 calc R . . . . C21 C 0.3267(6) 0.6136(5) 0.7503(5) 0.065(2) Uani 1 1 d . . . . . H21 H 0.2952 0.6536 0.7434 0.078 Uiso 1 1 calc R . . . . C22 C 0.3205(6) 0.4481(5) 0.8413(5) 0.070(2) Uani 1 1 d . . . . . H22 H 0.3551 0.4097 0.8452 0.084 Uiso 1 1 calc R . . . . C23 C 0.2571(6) 0.4458(5) 0.8728(6) 0.077(3) Uani 1 1 d . . . . . H23 H 0.2201 0.4828 0.8654 0.092 Uiso 1 1 calc R . . . . C24 C 0.2596(5) 0.2905(4) 0.9808(4) 0.0509(16) Uani 1 1 d . . . . . H24 H 0.2917 0.2511 0.9908 0.061 Uiso 1 1 calc R . . . . C25 C 0.2814(5) 0.3345(4) 0.9328(4) 0.0571(18) Uani 1 1 d . . . . . H25 H 0.3271 0.3252 0.9099 0.069 Uiso 1 1 calc R . . . . C26 C 0.2349(5) 0.3938(4) 0.9180(5) 0.065(2) Uani 1 1 d . . . . . C27 C 0.1674(6) 0.4016(5) 0.9524(6) 0.082(3) Uani 1 1 d . . . . . H27 H 0.1334 0.4403 0.9437 0.099 Uiso 1 1 calc R . . . . C28 C 0.1491(6) 0.3548(4) 0.9984(6) 0.070(2) Uani 1 1 d . . . . . H28 H 0.1016 0.3612 1.0200 0.083 Uiso 1 1 calc R . . . . C29 C 0.4646(6) 0.6557(5) 0.5466(4) 0.062(2) Uani 1 1 d . . . . . C30 C 0.4065(6) 0.6079(5) 0.5590(5) 0.068(2) Uani 1 1 d . . . . . C31 C 0.3275(6) 0.6406(5) 0.5575(5) 0.066(2) Uani 1 1 d . . . . . C32 C 0.3382(6) 0.7092(5) 0.5475(5) 0.070(2) Uani 1 1 d D . . . . C33 C 0.4267(6) 0.7195(4) 0.5449(4) 0.065(2) Uani 1 1 d D . . . . C34 C 0.5506(6) 0.6399(6) 0.5316(5) 0.081(3) Uani 1 1 d . . . . . H34A H 0.5780 0.6068 0.5657 0.122 Uiso 1 1 calc GR . . . . H34B H 0.5848 0.6803 0.5362 0.122 Uiso 1 1 calc GR . . . . H34C H 0.5447 0.6225 0.4833 0.122 Uiso 1 1 calc GR . . . . C35 C 0.4183(8) 0.5360(5) 0.5576(6) 0.086(3) Uani 1 1 d . . . . . H35A H 0.3897 0.5184 0.5116 0.128 Uiso 1 1 calc GR . . . . H35B H 0.3945 0.5155 0.5956 0.128 Uiso 1 1 calc GR . . . . H35C H 0.4786 0.5259 0.5647 0.128 Uiso 1 1 calc GR . . . . C36 C 0.2458(7) 0.6084(6) 0.5642(6) 0.088(3) Uani 1 1 d . . . . . H36A H 0.2077 0.6418 0.5776 0.133 Uiso 1 1 calc GR . . . . H36B H 0.2564 0.5740 0.6008 0.133 Uiso 1 1 calc GR . . . . H36C H 0.2198 0.5886 0.5187 0.133 Uiso 1 1 calc GR . . . . C37 C 0.2728(9) 0.7638(6) 0.5439(7) 0.101(4) Uani 1 1 d . . . . . H37A H 0.2394 0.7664 0.4955 0.152 Uiso 1 1 calc GR . . . . H37B H 0.3012 0.8062 0.5565 0.152 Uiso 1 1 calc GR . . . . H37C H 0.2356 0.7539 0.5772 0.152 Uiso 1 1 calc GR . . . . C38 C 0.4657(9) 0.7833(6) 0.5250(6) 0.093(4) Uani 1 1 d . . . . . H38A H 0.5270 0.7781 0.5322 0.139 Uiso 1 1 calc GR . . . . H38B H 0.4521 0.8195 0.5550 0.139 Uiso 1 1 calc GR . . . . H38C H 0.4432 0.7936 0.4751 0.139 Uiso 1 1 calc GR . . . . C39 C 0.9205(7) 0.8451(5) 0.8895(7) 0.084(3) Uani 1 1 d . . . . . C40 C 0.8435(5) 0.8769(4) 0.9003(6) 0.074(3) Uani 1 1 d . . . . . C41 C 0.8372(8) 0.8636(5) 0.9716(7) 0.089(4) Uani 1 1 d . . . . . C42 C 0.9089(9) 0.8303(5) 1.0035(6) 0.085(3) Uani 1 1 d . . . . . C43 C 0.9607(7) 0.8209(5) 0.9559(8) 0.089(3) Uani 1 1 d . U . . . C44 C 0.9612(13) 0.8442(7) 0.8274(11) 0.161(8) Uani 1 1 d . U . . . H44A H 1.0023 0.8804 0.8312 0.241 Uiso 1 1 calc GR . . . . H44B H 0.9184 0.8500 0.7840 0.241 Uiso 1 1 calc GR . . . . H44C H 0.9900 0.8018 0.8254 0.241 Uiso 1 1 calc GR . . . . C45 C 0.7898(9) 0.9219(5) 0.8456(9) 0.120(5) Uani 1 1 d . U . . . H45A H 0.7319 0.9227 0.8539 0.180 Uiso 1 1 calc GR . . . . H45B H 0.7898 0.9050 0.7978 0.180 Uiso 1 1 calc GR . . . . H45C H 0.8131 0.9668 0.8501 0.180 Uiso 1 1 calc GR . . . . C46 C 0.7702(12) 0.8935(8) 1.0078(12) 0.156(8) Uani 1 1 d . U . . . H46A H 0.7702 0.8703 1.0526 0.234 Uiso 1 1 calc GR . . . . H46B H 0.7148 0.8889 0.9767 0.234 Uiso 1 1 calc GR . . . . H46C H 0.7824 0.9405 1.0173 0.234 Uiso 1 1 calc GR . . . . C47 C 0.9318(18) 0.8080(11) 1.0815(11) 0.194(10) Uani 1 1 d . U . . . H47A H 0.9365 0.8469 1.1126 0.291 Uiso 1 1 calc GR . . . . H47B H 0.9858 0.7844 1.0895 0.291 Uiso 1 1 calc GR . . . . H47C H 0.8878 0.7785 1.0922 0.291 Uiso 1 1 calc GR . . . . C48 C 1.0446(8) 0.7895(8) 0.9651(14) 0.166(8) Uani 1 1 d . U . . . H48A H 1.0884 0.8230 0.9795 0.248 Uiso 1 1 calc GR . . . . H48B H 1.0516 0.7694 0.9201 0.248 Uiso 1 1 calc GR . . . . H48C H 1.0494 0.7551 1.0017 0.248 Uiso 1 1 calc GR . . . . C49 C 0.7359(18) 0.0350(15) 0.398(2) 0.145(12) Uani 0.5 1 d D U P A -1 H49A H 0.7528 0.0777 0.3813 0.217 Uiso 0.5 1 calc GR . P A -1 H49B H 0.7597 -0.0010 0.3743 0.217 Uiso 0.5 1 calc GR . P A -1 H49C H 0.7569 0.0317 0.4498 0.217 Uiso 0.5 1 calc GR . P A -1 C50 C 0.6404(17) 0.0298(14) 0.3828(14) 0.129(10) Uani 0.5 1 d D U P A -1 H50 H 0.6229 -0.0075 0.3489 0.155 Uiso 0.5 1 calc R . P A -1 C51 C 0.616(2) 0.014(3) 0.452(2) 0.174(16) Uani 0.5 1 d D U P A -1 H51A H 0.6384 -0.0310 0.4632 0.209 Uiso 0.5 1 calc R . P A -1 H51B H 0.6511 0.0439 0.4862 0.209 Uiso 0.5 1 calc R . P A -1 C52 C 0.534(2) 0.014(2) 0.4719(19) 0.147(12) Uani 0.5 1 d D U P A -1 H52A H 0.5401 0.0271 0.5224 0.176 Uiso 0.5 1 calc R . P A -1 H52B H 0.4962 0.0462 0.4426 0.176 Uiso 0.5 1 calc R . P A -1 C53 C 0.502(2) -0.0488(13) 0.4618(13) 0.119(9) Uani 0.5 1 d . U P A -1 H53A H 0.4912 -0.0596 0.4111 0.178 Uiso 0.5 1 calc GR . P A -1 H53B H 0.4484 -0.0510 0.4790 0.178 Uiso 0.5 1 calc GR . P A -1 H53C H 0.5417 -0.0805 0.4881 0.178 Uiso 0.5 1 calc GR . P A -1 C54 C 0.606(2) 0.0918(15) 0.3500(15) 0.146(11) Uani 0.5 1 d D U P A -1 H54A H 0.5669 0.0821 0.3054 0.219 Uiso 0.5 1 calc GR . P A -1 H54B H 0.6518 0.1197 0.3404 0.219 Uiso 0.5 1 calc GR . P A -1 H54C H 0.5756 0.1150 0.3823 0.219 Uiso 0.5 1 calc GR . P A -1 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 Ir1 0.0466(2) 0.0508(2) 0.0532(2) -0.00352(13) 0.01324(14) -0.00690(12) Ir2 0.03622(18) 0.0451(2) 0.0636(2) 0.00056(12) 0.01397(14) -0.00121(11) S1 0.0397(9) 0.0604(10) 0.0626(11) -0.0088(8) 0.0066(8) 0.0011(7) S2 0.0405(9) 0.0615(11) 0.0822(14) -0.0091(10) 0.0187(9) 0.0059(8) N1 0.042(3) 0.061(4) 0.057(4) -0.009(3) 0.011(3) 0.005(3) N2 0.056(4) 0.078(5) 0.086(5) -0.027(4) 0.011(4) 0.019(4) N3 0.049(3) 0.057(3) 0.054(3) -0.007(3) 0.016(3) -0.011(3) N4 0.040(3) 0.051(3) 0.057(3) 0.003(3) 0.010(2) 0.002(2) C1 0.035(3) 0.045(3) 0.046(3) 0.000(3) 0.012(3) -0.002(3) B2 0.039(4) 0.048(4) 0.061(5) 0.004(4) 0.019(3) 0.002(3) B3 0.039(4) 0.044(4) 0.048(4) 0.003(3) 0.013(3) -0.002(3) B4 0.037(3) 0.039(4) 0.057(4) 0.004(3) 0.014(3) -0.003(3) B5 0.042(4) 0.046(4) 0.044(4) 0.001(3) 0.014(3) -0.003(3) B6 0.042(4) 0.041(4) 0.058(5) -0.003(3) 0.019(3) -0.006(3) B7 0.050(4) 0.045(4) 0.065(5) -0.003(4) 0.012(4) 0.000(3) B8 0.046(4) 0.052(4) 0.061(5) -0.004(4) 0.019(4) 0.000(3) B9 0.039(4) 0.049(4) 0.050(4) 0.003(3) 0.018(3) -0.003(3) B10 0.045(4) 0.040(4) 0.064(5) 0.021(3) 0.031(4) 0.011(3) B11 0.048(4) 0.039(4) 0.055(4) 0.002(3) 0.018(3) 0.001(3) C12 0.043(3) 0.044(3) 0.061(4) -0.001(3) 0.021(3) 0.002(3) C2 0.038(3) 0.053(4) 0.055(4) 0.000(3) 0.015(3) -0.001(3) C3 0.043(4) 0.068(5) 0.047(4) -0.010(3) 0.007(3) 0.005(3) C4 0.060(5) 0.068(5) 0.103(7) -0.002(5) 0.032(5) 0.004(4) C5 0.076(6) 0.076(6) 0.112(8) 0.003(6) 0.031(6) 0.017(5) C6 0.066(6) 0.108(8) 0.084(6) 0.005(6) 0.029(5) 0.036(6) C7 0.066(6) 0.138(10) 0.075(6) 0.020(6) 0.038(5) 0.015(6) C8 0.064(5) 0.086(6) 0.075(6) 0.018(5) 0.023(4) 0.013(4) C9 0.050(4) 0.051(4) 0.068(5) -0.002(4) 0.020(3) 0.009(3) C10 0.066(6) 0.105(8) 0.098(7) -0.034(6) 0.002(5) 0.035(6) C11 0.100(9) 0.090(8) 0.194(14) -0.015(9) 0.005(9) 0.021(7) C13 0.099(9) 0.101(9) 0.170(13) -0.021(9) 0.006(9) 0.029(8) C14 0.100(9) 0.131(11) 0.148(11) -0.050(9) 0.016(8) 0.033(8) C15 0.093(9) 0.162(13) 0.168(13) -0.018(11) 0.048(9) 0.009(9) C16 0.077(7) 0.131(10) 0.123(9) -0.024(8) 0.028(7) 0.020(7) C17 0.056(4) 0.052(4) 0.068(5) -0.007(3) 0.012(4) -0.007(3) C18 0.062(5) 0.049(4) 0.081(5) -0.002(4) 0.020(4) -0.002(3) C19 0.059(5) 0.061(5) 0.071(5) -0.006(4) 0.013(4) -0.004(4) C20 0.056(5) 0.065(5) 0.091(6) 0.004(4) 0.033(4) -0.005(4) C21 0.060(5) 0.070(5) 0.067(5) 0.002(4) 0.018(4) -0.001(4) C22 0.073(5) 0.061(5) 0.080(6) 0.003(4) 0.024(5) 0.010(4) C23 0.060(5) 0.076(6) 0.097(7) 0.015(5) 0.022(5) 0.006(4) C24 0.047(4) 0.057(4) 0.049(4) 0.003(3) 0.011(3) 0.009(3) C25 0.053(4) 0.065(5) 0.056(4) 0.006(4) 0.018(3) 0.005(3) C26 0.058(5) 0.066(5) 0.071(5) 0.016(4) 0.017(4) 0.005(4) C27 0.067(6) 0.077(6) 0.109(8) 0.036(6) 0.031(5) 0.026(5) C28 0.054(5) 0.061(5) 0.096(7) 0.016(5) 0.021(4) 0.006(4) C29 0.063(5) 0.072(5) 0.052(4) -0.001(4) 0.013(4) -0.013(4) C30 0.084(6) 0.068(5) 0.060(5) -0.018(4) 0.036(4) -0.019(4) C31 0.059(5) 0.078(6) 0.060(5) -0.004(4) 0.006(4) -0.008(4) C32 0.064(5) 0.072(5) 0.069(5) -0.009(4) 0.000(4) -0.003(4) C33 0.076(6) 0.068(5) 0.047(4) -0.007(4) 0.006(4) -0.014(4) C34 0.069(6) 0.123(9) 0.055(5) -0.009(5) 0.022(4) 0.002(6) C35 0.114(9) 0.071(6) 0.074(6) -0.016(5) 0.022(6) 0.000(6) C36 0.074(6) 0.104(8) 0.084(7) -0.004(6) 0.007(5) -0.029(6) C37 0.097(9) 0.102(9) 0.090(8) -0.004(6) -0.021(7) 0.025(7) C38 0.123(10) 0.091(7) 0.062(6) 0.021(5) 0.012(6) -0.029(7) C39 0.072(6) 0.057(5) 0.133(10) -0.006(6) 0.044(6) -0.024(4) C40 0.050(4) 0.034(4) 0.119(8) -0.002(4) -0.028(5) -0.002(3) C41 0.096(8) 0.064(6) 0.123(9) -0.045(6) 0.059(7) -0.038(5) C42 0.102(9) 0.064(6) 0.073(6) -0.006(5) -0.025(6) -0.024(6) C43 0.052(5) 0.067(6) 0.136(10) -0.002(6) -0.009(6) -0.017(4) C44 0.203(16) 0.088(8) 0.245(19) -0.039(10) 0.174(16) -0.054(10) C45 0.102(9) 0.054(6) 0.192(15) 0.011(7) -0.002(9) -0.023(6) C46 0.162(14) 0.101(10) 0.241(19) -0.070(11) 0.126(14) -0.050(10) C47 0.27(2) 0.164(16) 0.123(13) -0.004(12) -0.037(15) -0.088(16) C48 0.056(7) 0.100(9) 0.32(2) 0.018(13) -0.022(10) -0.017(7) C49 0.17(3) 0.091(17) 0.20(3) -0.003(18) 0.08(2) 0.006(17) C50 0.129(17) 0.131(16) 0.110(15) -0.049(13) -0.021(13) 0.030(14) C51 0.16(2) 0.18(2) 0.19(2) 0.018(17) 0.043(17) 0.001(17) C52 0.16(2) 0.138(18) 0.132(18) 0.019(15) -0.006(15) -0.007(16) C53 0.20(3) 0.083(15) 0.074(13) -0.010(11) 0.031(16) 0.000(17) C54 0.181(19) 0.166(19) 0.095(15) -0.040(14) 0.032(14) -0.067(16) _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 Ir1 S1 2.348(2) . ? Ir1 N3 2.120(6) . ? Ir1 B2 2.111(9) . ? Ir1 C29 2.230(8) . ? Ir1 C30 2.215(8) . ? Ir1 C31 2.262(8) . ? Ir1 C32 2.269(9) . ? Ir1 C33 2.176(9) . ? Ir2 S2 2.325(2) . ? Ir2 N4 2.101(6) 3_667 ? Ir2 B10 2.081(9) . ? Ir2 C39 2.169(9) . ? Ir2 C40 2.173(8) . ? Ir2 C41 2.167(9) . ? Ir2 C42 2.234(9) . ? Ir2 C43 2.279(9) . ? S1 C2 1.741(8) . ? S2 C9 1.753(9) . ? N1 C2 1.294(10) . ? N1 C3 1.420(9) . ? N2 C9 1.257(10) . ? N2 C10 1.448(11) . ? N3 C17 1.346(10) . ? N3 C21 1.344(10) . ? N4 Ir2 2.101(6) 3_667 ? N4 C24 1.335(9) . ? N4 C28 1.327(11) . ? C1 B2 1.786(11) . ? C1 B3 1.682(10) . ? C1 B4 1.719(10) . ? C1 B5 1.717(10) . ? C1 B6 1.710(10) . ? C1 C2 1.491(9) . ? B2 B3 1.800(11) . ? B2 B6 1.840(12) . ? B2 B7 1.801(12) . ? B2 B8 1.810(11) . ? B3 H3 1.1200 . ? B3 B4 1.810(12) . ? B3 B8 1.749(11) . ? B3 B9 1.771(11) . ? B4 H4 1.1200 . ? B4 B5 1.757(10) . ? B4 B9 1.774(11) . ? B4 B10 1.796(11) . ? B5 H5 1.1200 . ? B5 B6 1.784(11) . ? B5 B10 1.811(10) . ? B5 B11 1.759(11) . ? B6 H6 1.1200 . ? B6 B7 1.752(12) . ? B6 B11 1.761(12) . ? B7 H7 1.1200 . ? B7 B8 1.775(13) . ? B7 B11 1.798(13) . ? B7 C12 1.722(11) . ? B8 H8 1.1200 . ? B8 B9 1.797(12) . ? B8 C12 1.728(12) . ? B9 H9 1.1200 . ? B9 B10 1.841(12) . ? B9 C12 1.693(10) . ? B10 B11 1.830(11) . ? B10 C12 1.794(12) . ? B11 H11 1.1200 . ? B11 C12 1.695(11) . ? C12 C9 1.511(10) . ? C3 C4 1.388(13) . ? C3 C8 1.380(13) . ? C4 H4A 0.9500 . ? C4 C5 1.375(13) . ? C5 H5A 0.9500 . ? C5 C6 1.357(16) . ? C6 H6A 0.9500 . ? C6 C7 1.401(17) . ? C7 H7A 0.9500 . ? C7 C8 1.385(14) . ? C8 H8A 0.9500 . ? C10 C11 1.31(2) . ? C10 C16 1.444(19) . ? C11 H11A 0.9500 . ? C11 C13 1.447(14) . ? C13 H13 0.9500 . ? C13 C14 1.34(2) . ? C14 H14 0.9500 . ? C14 C15 1.36(3) . ? C15 H15 0.9500 . ? C15 C16 1.433(14) . ? C16 H16 0.9500 . ? C17 H17 0.9500 . ? C17 C18 1.374(12) . ? C18 H18 0.9500 . ? C18 C19 1.394(12) . ? C19 C20 1.392(13) . ? C19 C22 1.462(13) . ? C20 H20 0.9500 . ? C20 C21 1.394(13) . ? C21 H21 0.9500 . ? C22 H22 0.9500 . ? C22 C23 1.289(13) . ? C23 H23 0.9500 . ? C23 C26 1.452(13) . ? C24 H24 0.9500 . ? C24 C25 1.373(11) . ? C25 H25 0.9500 . ? C25 C26 1.412(12) . ? C26 C27 1.391(13) . ? C27 H27 0.9500 . ? C27 C28 1.365(13) . ? C28 H28 0.9500 . ? C29 C30 1.401(12) . ? C29 C33 1.425(13) . ? C29 C34 1.507(13) . ? C30 C31 1.433(13) . ? C30 C35 1.465(14) . ? C31 C32 1.412(14) . ? C31 C36 1.501(13) . ? C32 C33 1.456(11) . ? C32 C37 1.521(15) . ? C33 C38 1.516(13) . ? C34 H34A 0.9800 . ? C34 H34B 0.9800 . ? C34 H34C 0.9800 . ? C35 H35A 0.9800 . ? C35 H35B 0.9800 . ? C35 H35C 0.9800 . ? C36 H36A 0.9800 . ? C36 H36B 0.9800 . ? C36 H36C 0.9800 . ? C37 H37A 0.9800 . ? C37 H37B 0.9800 . ? C37 H37C 0.9800 . ? C38 H38A 0.9800 . ? C38 H38B 0.9800 . ? C38 H38C 0.9800 . ? C39 C40 1.451(14) . ? C39 C43 1.402(18) . ? C39 C44 1.470(17) . ? C40 C41 1.418(16) . ? C40 C45 1.526(16) . ? C41 C42 1.377(17) . ? C41 C46 1.521(17) . ? C42 C43 1.367(19) . ? C42 C47 1.54(2) . ? C43 C48 1.477(18) . ? C44 H44A 0.9800 . ? C44 H44B 0.9800 . ? C44 H44C 0.9800 . ? C45 H45A 0.9800 . ? C45 H45B 0.9800 . ? C45 H45C 0.9800 . ? C46 H46A 0.9800 . ? C46 H46B 0.9800 . ? C46 H46C 0.9800 . ? C47 H47A 0.9800 . ? C47 H47B 0.9800 . ? C47 H47C 0.9800 . ? C48 H48A 0.9800 . ? C48 H48B 0.9800 . ? C48 H48C 0.9800 . ? C49 H49A 0.9800 . ? C49 H49B 0.9800 . ? C49 H49C 0.9800 . ? C49 C50 1.52(2) . ? C50 H50 1.0000 . ? C50 C51 1.48(3) . ? C50 C54 1.461(19) . ? C51 H51A 0.9900 . ? C51 H51B 0.9900 . ? C51 C52 1.45(3) . ? C52 H52A 0.9900 . ? C52 H52B 0.9900 . ? C52 C53 1.38(4) . ? C53 H53A 0.9800 . ? C53 H53B 0.9800 . ? C53 H53C 0.9800 . ? C54 H54A 0.9800 . ? C54 H54B 0.9800 . ? C54 H54C 0.9800 . ? 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 N3 Ir1 S1 90.90(18) . . ? N3 Ir1 C29 125.9(3) . . ? N3 Ir1 C30 94.0(3) . . ? N3 Ir1 C31 94.3(3) . . ? N3 Ir1 C32 125.0(3) . . ? N3 Ir1 C33 155.7(3) . . ? B2 Ir1 S1 83.5(2) . . ? B2 Ir1 N3 90.1(3) . . ? B2 Ir1 C29 101.0(3) . . ? B2 Ir1 C30 123.5(3) . . ? B2 Ir1 C31 160.5(3) . . ? B2 Ir1 C32 144.8(3) . . ? B2 Ir1 C33 109.2(3) . . ? C29 Ir1 S1 142.6(2) . . ? C29 Ir1 C31 61.2(3) . . ? C29 Ir1 C32 61.9(3) . . ? C30 Ir1 S1 152.4(3) . . ? C30 Ir1 C29 36.7(3) . . ? C30 Ir1 C31 37.3(4) . . ? C30 Ir1 C32 62.1(4) . . ? C31 Ir1 S1 115.3(2) . . ? C31 Ir1 C32 36.3(3) . . ? C32 Ir1 S1 93.1(3) . . ? C33 Ir1 S1 105.5(3) . . ? C33 Ir1 C29 37.7(3) . . ? C33 Ir1 C30 63.2(3) . . ? C33 Ir1 C31 62.6(3) . . ? C33 Ir1 C32 38.2(3) . . ? N4 Ir2 S2 90.30(18) 3_667 . ? N4 Ir2 C39 149.3(4) 3_667 . ? N4 Ir2 C40 142.1(4) 3_667 . ? N4 Ir2 C41 104.6(4) 3_667 . ? N4 Ir2 C42 92.0(4) 3_667 . ? N4 Ir2 C43 112.7(4) 3_667 . ? B10 Ir2 S2 83.6(2) . . ? B10 Ir2 N4 89.0(3) . 3_667 ? B10 Ir2 C39 121.6(4) . . ? B10 Ir2 C40 100.4(3) . . ? B10 Ir2 C41 113.7(4) . . ? B10 Ir2 C42 148.9(4) . . ? B10 Ir2 C43 158.3(4) . . ? C39 Ir2 S2 94.3(3) . . ? C39 Ir2 C40 39.0(4) . . ? C39 Ir2 C42 61.5(5) . . ? C39 Ir2 C43 36.6(5) . . ? C40 Ir2 S2 127.0(3) . . ? C40 Ir2 C42 61.7(4) . . ? C40 Ir2 C43 61.7(3) . . ? C41 Ir2 S2 156.9(3) . . ? C41 Ir2 C39 63.9(4) . . ? C41 Ir2 C40 38.1(4) . . ? C41 Ir2 C42 36.4(5) . . ? C41 Ir2 C43 60.7(4) . . ? C42 Ir2 S2 127.5(4) . . ? C42 Ir2 C43 35.2(5) . . ? C43 Ir2 S2 97.4(4) . . ? C2 S1 Ir1 110.2(2) . . ? C9 S2 Ir2 110.5(2) . . ? C2 N1 C3 120.9(6) . . ? C9 N2 C10 117.6(8) . . ? C17 N3 Ir1 119.2(5) . . ? C21 N3 Ir1 120.8(6) . . ? C21 N3 C17 119.1(7) . . ? C24 N4 Ir2 120.3(5) . 3_667 ? C28 N4 Ir2 121.2(6) . 3_667 ? C28 N4 C24 118.4(7) . . ? B3 C1 B2 62.5(4) . . ? B3 C1 B4 64.3(4) . . ? B3 C1 B5 114.5(5) . . ? B3 C1 B6 113.2(5) . . ? B4 C1 B2 117.3(5) . . ? B5 C1 B2 116.9(5) . . ? B5 C1 B4 61.5(4) . . ? B6 C1 B2 63.5(5) . . ? B6 C1 B4 113.6(5) . . ? B6 C1 B5 62.7(4) . . ? C2 C1 B2 114.1(6) . . ? C2 C1 B3 119.1(6) . . ? C2 C1 B4 119.2(6) . . ? C2 C1 B5 117.9(6) . . ? C2 C1 B6 116.9(5) . . ? C1 B2 Ir1 116.3(4) . . ? C1 B2 B3 55.9(4) . . ? C1 B2 B6 56.3(4) . . ? C1 B2 B7 99.7(6) . . ? C1 B2 B8 100.1(5) . . ? B3 B2 Ir1 120.6(5) . . ? B3 B2 B6 102.1(6) . . ? B3 B2 B7 103.2(6) . . ? B3 B2 B8 58.0(4) . . ? B6 B2 Ir1 120.3(5) . . ? B7 B2 Ir1 133.7(5) . . ? B7 B2 B6 57.5(5) . . ? B7 B2 B8 58.9(5) . . ? B8 B2 Ir1 133.5(6) . . ? B8 B2 B6 103.5(6) . . ? C1 B3 B2 61.6(4) . . ? C1 B3 H3 124.0 . . ? C1 B3 B4 58.8(4) . . ? C1 B3 B8 106.9(6) . . ? C1 B3 B9 105.1(5) . . ? B2 B3 H3 118.0 . . ? B2 B3 B4 112.0(6) . . ? B4 B3 H3 120.7 . . ? B8 B3 B2 61.3(4) . . ? B8 B3 H3 121.2 . . ? B8 B3 B4 109.4(6) . . ? B8 B3 B9 61.4(5) . . ? B9 B3 B2 111.7(5) . . ? B9 B3 H3 121.7 . . ? B9 B3 B4 59.4(4) . . ? C1 B4 B3 56.9(4) . . ? C1 B4 H4 124.9 . . ? C1 B4 B5 59.2(4) . . ? C1 B4 B9 103.4(5) . . ? C1 B4 B10 107.8(5) . . ? B3 B4 H4 122.5 . . ? B5 B4 B3 106.5(5) . . ? B5 B4 H4 121.6 . . ? B5 B4 B9 108.2(5) . . ? B5 B4 B10 61.3(4) . . ? B9 B4 B3 59.2(4) . . ? B9 B4 H4 122.7 . . ? B9 B4 B10 62.1(4) . . ? B10 B4 B3 110.2(6) . . ? B10 B4 H4 119.2 . . ? C1 B5 B4 59.3(4) . . ? C1 B5 H5 124.4 . . ? C1 B5 B6 58.4(4) . . ? C1 B5 B10 107.2(5) . . ? C1 B5 B11 104.1(5) . . ? B4 B5 H5 121.6 . . ? B4 B5 B6 108.2(6) . . ? B4 B5 B10 60.4(4) . . ? B4 B5 B11 107.7(5) . . ? B6 B5 H5 121.0 . . ? B6 B5 B10 110.7(6) . . ? B10 B5 H5 119.9 . . ? B11 B5 H5 122.8 . . ? B11 B5 B6 59.6(5) . . ? B11 B5 B10 61.6(4) . . ? C1 B6 B2 60.3(4) . . ? C1 B6 B5 58.8(4) . . ? C1 B6 H6 125.1 . . ? C1 B6 B7 104.7(6) . . ? C1 B6 B11 104.3(5) . . ? B2 B6 H6 119.2 . . ? B5 B6 B2 111.0(5) . . ? B5 B6 H6 120.6 . . ? B7 B6 B2 60.1(5) . . ? B7 B6 B5 109.2(6) . . ? B7 B6 H6 122.0 . . ? B7 B6 B11 61.6(5) . . ? B11 B6 B2 110.7(5) . . ? B11 B6 B5 59.5(4) . . ? B11 B6 H6 121.7 . . ? B2 B7 H7 119.5 . . ? B6 B7 B2 62.3(5) . . ? B6 B7 H7 122.4 . . ? B6 B7 B8 108.7(6) . . ? B6 B7 B11 59.4(5) . . ? B8 B7 B2 60.8(5) . . ? B8 B7 H7 121.3 . . ? B8 B7 B11 107.8(6) . . ? B11 B7 B2 110.7(6) . . ? B11 B7 H7 121.6 . . ? C12 B7 B2 107.0(6) . . ? C12 B7 B6 103.6(6) . . ? C12 B7 H7 125.1 . . ? C12 B7 B8 59.2(5) . . ? C12 B7 B11 57.5(4) . . ? B2 B8 H8 120.3 . . ? B3 B8 B2 60.7(4) . . ? B3 B8 B7 106.5(6) . . ? B3 B8 H8 123.5 . . ? B3 B8 B9 59.9(5) . . ? B7 B8 B2 60.3(5) . . ? B7 B8 H8 122.3 . . ? B7 B8 B9 107.0(6) . . ? B9 B8 B2 110.1(6) . . ? B9 B8 H8 121.5 . . ? C12 B8 B2 106.4(6) . . ? C12 B8 B3 102.9(6) . . ? C12 B8 B7 58.9(5) . . ? C12 B8 H8 125.2 . . ? C12 B8 B9 57.4(4) . . ? B3 B9 B4 61.4(4) . . ? B3 B9 B8 58.7(4) . . ? B3 B9 H9 122.6 . . ? B3 B9 B10 110.0(5) . . ? B4 B9 B8 108.9(5) . . ? B4 B9 H9 122.4 . . ? B4 B9 B10 59.6(4) . . ? B8 B9 H9 120.4 . . ? B8 B9 B10 111.9(6) . . ? B10 B9 H9 119.0 . . ? C12 B9 B3 103.4(5) . . ? C12 B9 B4 104.4(5) . . ? C12 B9 B8 59.3(5) . . ? C12 B9 H9 125.1 . . ? C12 B9 B10 60.9(4) . . ? B4 B10 Ir2 132.4(5) . . ? B4 B10 B5 58.3(4) . . ? B4 B10 B9 58.4(4) . . ? B4 B10 B11 103.2(6) . . ? B5 B10 Ir2 133.1(5) . . ? B5 B10 B9 103.1(6) . . ? B5 B10 B11 57.8(4) . . ? B9 B10 Ir2 120.7(4) . . ? B11 B10 Ir2 121.4(5) . . ? B11 B10 B9 101.8(6) . . ? C12 B10 Ir2 118.3(4) . . ? C12 B10 B4 99.4(6) . . ? C12 B10 B5 99.1(6) . . ? C12 B10 B9 55.5(4) . . ? C12 B10 B11 55.7(4) . . ? B5 B11 B6 60.9(4) . . ? B5 B11 B7 108.2(6) . . ? B5 B11 B10 60.6(4) . . ? B5 B11 H11 122.3 . . ? B6 B11 B7 59.0(5) . . ? B6 B11 B10 110.9(5) . . ? B6 B11 H11 122.2 . . ? B7 B11 B10 111.6(6) . . ? B7 B11 H11 120.9 . . ? B10 B11 H11 118.4 . . ? C12 B11 B5 105.1(5) . . ? C12 B11 B6 104.4(6) . . ? C12 B11 B7 59.0(5) . . ? C12 B11 B10 61.1(4) . . ? C12 B11 H11 124.6 . . ? B7 C12 B8 61.9(5) . . ? B7 C12 B10 117.2(5) . . ? B8 C12 B10 117.7(5) . . ? B9 C12 B7 114.4(6) . . ? B9 C12 B8 63.4(5) . . ? B9 C12 B10 63.6(4) . . ? B9 C12 B11 114.4(5) . . ? B11 C12 B7 63.5(5) . . ? B11 C12 B8 115.0(6) . . ? B11 C12 B10 63.2(4) . . ? C9 C12 B7 119.8(6) . . ? C9 C12 B8 120.6(6) . . ? C9 C12 B9 117.7(6) . . ? C9 C12 B10 111.6(6) . . ? C9 C12 B11 115.6(6) . . ? N1 C2 S1 127.3(5) . . ? N1 C2 C1 117.1(6) . . ? C1 C2 S1 115.6(5) . . ? C4 C3 N1 120.0(7) . . ? C8 C3 N1 121.0(8) . . ? C8 C3 C4 118.4(8) . . ? C3 C4 H4A 119.3 . . ? C5 C4 C3 121.4(9) . . ? C5 C4 H4A 119.3 . . ? C4 C5 H5A 119.9 . . ? C6 C5 C4 120.2(10) . . ? C6 C5 H5A 119.9 . . ? C5 C6 H6A 120.2 . . ? C5 C6 C7 119.5(9) . . ? C7 C6 H6A 120.2 . . ? C6 C7 H7A 120.0 . . ? C8 C7 C6 120.0(10) . . ? C8 C7 H7A 120.0 . . ? C3 C8 C7 120.3(10) . . ? C3 C8 H8A 119.9 . . ? C7 C8 H8A 119.9 . . ? N2 C9 S2 124.3(6) . . ? N2 C9 C12 119.8(7) . . ? C12 C9 S2 115.9(5) . . ? C11 C10 N2 122.4(13) . . ? C11 C10 C16 117.5(11) . . ? C16 C10 N2 120.0(12) . . ? C10 C11 H11A 118.3 . . ? C10 C11 C13 123.5(17) . . ? C13 C11 H11A 118.3 . . ? C11 C13 H13 121.0 . . ? C14 C13 C11 118.1(16) . . ? C14 C13 H13 121.0 . . ? C13 C14 H14 118.8 . . ? C13 C14 C15 122.4(15) . . ? C15 C14 H14 118.8 . . ? C14 C15 H15 120.3 . . ? C14 C15 C16 119.3(17) . . ? C16 C15 H15 120.3 . . ? C10 C16 H16 120.4 . . ? C15 C16 C10 119.1(15) . . ? C15 C16 H16 120.4 . . ? N3 C17 H17 118.8 . . ? N3 C17 C18 122.4(8) . . ? C18 C17 H17 118.8 . . ? C17 C18 H18 120.0 . . ? C17 C18 C19 120.1(8) . . ? C19 C18 H18 120.0 . . ? C18 C19 C22 120.3(8) . . ? C20 C19 C18 116.8(8) . . ? C20 C19 C22 122.9(8) . . ? C19 C20 H20 119.6 . . ? C19 C20 C21 120.9(8) . . ? C21 C20 H20 119.6 . . ? N3 C21 C20 120.7(8) . . ? N3 C21 H21 119.6 . . ? C20 C21 H21 119.6 . . ? C19 C22 H22 116.3 . . ? C23 C22 C19 127.3(9) . . ? C23 C22 H22 116.3 . . ? C22 C23 H23 115.9 . . ? C22 C23 C26 128.2(10) . . ? C26 C23 H23 115.9 . . ? N4 C24 H24 118.5 . . ? N4 C24 C25 123.1(7) . . ? C25 C24 H24 118.5 . . ? C24 C25 H25 120.4 . . ? C24 C25 C26 119.2(7) . . ? C26 C25 H25 120.4 . . ? C25 C26 C23 123.4(8) . . ? C27 C26 C23 120.6(8) . . ? C27 C26 C25 115.9(8) . . ? C26 C27 H27 119.5 . . ? C28 C27 C26 121.1(8) . . ? C28 C27 H27 119.5 . . ? N4 C28 C27 122.3(8) . . ? N4 C28 H28 118.9 . . ? C27 C28 H28 118.9 . . ? C30 C29 Ir1 71.0(5) . . ? C30 C29 C33 109.1(8) . . ? C30 C29 C34 124.2(9) . . ? C33 C29 Ir1 69.1(5) . . ? C33 C29 C34 126.6(9) . . ? C34 C29 Ir1 129.8(6) . . ? C29 C30 Ir1 72.2(5) . . ? C29 C30 C31 107.7(8) . . ? C29 C30 C35 125.9(10) . . ? C31 C30 Ir1 73.1(5) . . ? C31 C30 C35 125.1(9) . . ? C35 C30 Ir1 130.4(7) . . ? C30 C31 Ir1 69.6(5) . . ? C30 C31 C36 126.5(9) . . ? C32 C31 Ir1 72.1(5) . . ? C32 C31 C30 108.8(8) . . ? C32 C31 C36 124.7(9) . . ? C36 C31 Ir1 125.1(7) . . ? C31 C32 Ir1 71.5(5) . . ? C31 C32 C33 107.0(8) . . ? C31 C32 C37 127.9(10) . . ? C33 C32 Ir1 67.4(5) . . ? C33 C32 C37 125.0(10) . . ? C37 C32 Ir1 123.5(7) . . ? C29 C33 Ir1 73.2(5) . . ? C29 C33 C32 107.0(8) . . ? C29 C33 C38 125.1(9) . . ? C32 C33 Ir1 74.4(5) . . ? C32 C33 C38 126.2(10) . . ? C38 C33 Ir1 129.6(6) . . ? C29 C34 H34A 109.5 . . ? C29 C34 H34B 109.5 . . ? C29 C34 H34C 109.5 . . ? H34A C34 H34B 109.5 . . ? H34A C34 H34C 109.5 . . ? H34B C34 H34C 109.5 . . ? C30 C35 H35A 109.5 . . ? C30 C35 H35B 109.5 . . ? C30 C35 H35C 109.5 . . ? H35A C35 H35B 109.5 . . ? H35A C35 H35C 109.5 . . ? H35B C35 H35C 109.5 . . ? C31 C36 H36A 109.5 . . ? C31 C36 H36B 109.5 . . ? C31 C36 H36C 109.5 . . ? H36A C36 H36B 109.5 . . ? H36A C36 H36C 109.5 . . ? H36B C36 H36C 109.5 . . ? C32 C37 H37A 109.5 . . ? C32 C37 H37B 109.5 . . ? C32 C37 H37C 109.5 . . ? H37A C37 H37B 109.5 . . ? H37A C37 H37C 109.5 . . ? H37B C37 H37C 109.5 . . ? C33 C38 H38A 109.5 . . ? C33 C38 H38B 109.5 . . ? C33 C38 H38C 109.5 . . ? H38A C38 H38B 109.5 . . ? H38A C38 H38C 109.5 . . ? H38B C38 H38C 109.5 . . ? C40 C39 Ir2 70.6(5) . . ? C40 C39 C44 130.8(14) . . ? C43 C39 Ir2 75.9(6) . . ? C43 C39 C40 106.4(11) . . ? C43 C39 C44 122.1(14) . . ? C44 C39 Ir2 125.7(9) . . ? C39 C40 Ir2 70.3(5) . . ? C39 C40 C45 123.7(12) . . ? C41 C40 Ir2 70.7(5) . . ? C41 C40 C39 106.2(9) . . ? C41 C40 C45 129.7(12) . . ? C45 C40 Ir2 129.3(6) . . ? C40 C41 Ir2 71.2(5) . . ? C40 C41 C46 123.8(15) . . ? C42 C41 Ir2 74.5(6) . . ? C42 C41 C40 108.0(10) . . ? C42 C41 C46 127.2(15) . . ? C46 C41 Ir2 128.7(8) . . ? C41 C42 Ir2 69.1(5) . . ? C41 C42 C47 126.7(17) . . ? C43 C42 Ir2 74.2(6) . . ? C43 C42 C41 110.1(10) . . ? C43 C42 C47 123.1(16) . . ? C47 C42 Ir2 125.0(9) . . ? C39 C43 Ir2 67.4(5) . . ? C39 C43 C48 120.8(16) . . ? C42 C43 Ir2 70.6(6) . . ? C42 C43 C39 108.8(10) . . ? C42 C43 C48 130.4(16) . . ? C48 C43 Ir2 126.1(9) . . ? C39 C44 H44A 109.5 . . ? C39 C44 H44B 109.5 . . ? C39 C44 H44C 109.5 . . ? H44A C44 H44B 109.5 . . ? H44A C44 H44C 109.5 . . ? H44B C44 H44C 109.5 . . ? C40 C45 H45A 109.5 . . ? C40 C45 H45B 109.5 . . ? C40 C45 H45C 109.5 . . ? H45A C45 H45B 109.5 . . ? H45A C45 H45C 109.5 . . ? H45B C45 H45C 109.5 . . ? C41 C46 H46A 109.5 . . ? C41 C46 H46B 109.5 . . ? C41 C46 H46C 109.5 . . ? H46A C46 H46B 109.5 . . ? H46A C46 H46C 109.5 . . ? H46B C46 H46C 109.5 . . ? C42 C47 H47A 109.5 . . ? C42 C47 H47B 109.5 . . ? C42 C47 H47C 109.5 . . ? H47A C47 H47B 109.5 . . ? H47A C47 H47C 109.5 . . ? H47B C47 H47C 109.5 . . ? C43 C48 H48A 109.5 . . ? C43 C48 H48B 109.5 . . ? C43 C48 H48C 109.5 . . ? H48A C48 H48B 109.5 . . ? H48A C48 H48C 109.5 . . ? H48B C48 H48C 109.5 . . ? H49A C49 H49B 109.5 . . ? H49A C49 H49C 109.5 . . ? H49B C49 H49C 109.5 . . ? C50 C49 H49A 109.5 . . ? C50 C49 H49B 109.5 . . ? C50 C49 H49C 109.5 . . ? C49 C50 H50 109.1 . . ? C51 C50 C49 106(3) . . ? C51 C50 H50 109.1 . . ? C54 C50 C49 108(2) . . ? C54 C50 H50 109.1 . . ? C54 C50 C51 115(3) . . ? C50 C51 H51A 104.6 . . ? C50 C51 H51B 104.6 . . ? H51A C51 H51B 105.7 . . ? C52 C51 C50 131(3) . . ? C52 C51 H51A 104.6 . . ? C52 C51 H51B 104.6 . . ? C51 C52 H52A 110.1 . . ? C51 C52 H52B 110.1 . . ? H52A C52 H52B 108.4 . . ? C53 C52 C51 108(4) . . ? C53 C52 H52A 110.1 . . ? C53 C52 H52B 110.1 . . ? C52 C53 H53A 109.5 . . ? C52 C53 H53B 109.5 . . ? C52 C53 H53C 109.5 . . ? H53A C53 H53B 109.5 . . ? H53A C53 H53C 109.5 . . ? H53B C53 H53C 109.5 . . ? C50 C54 H54A 109.5 . . ? C50 C54 H54B 109.5 . . ? C50 C54 H54C 109.5 . . ? H54A C54 H54B 109.5 . . ? H54A C54 H54C 109.5 . . ? H54B C54 H54C 109.5 . . ? 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 Ir1 S1 C2 N1 -175.3(6) . . . . ? Ir1 S1 C2 C1 5.3(6) . . . . ? Ir1 N3 C17 C18 -169.4(6) . . . . ? Ir1 N3 C21 C20 170.0(7) . . . . ? Ir1 B2 B3 C1 102.8(6) . . . . ? Ir1 B2 B3 B4 134.2(5) . . . . ? Ir1 B2 B3 B8 -125.0(6) . . . . ? Ir1 B2 B3 B9 -161.3(5) . . . . ? Ir1 B2 B6 C1 -103.1(5) . . . . ? Ir1 B2 B6 B5 -134.1(5) . . . . ? Ir1 B2 B6 B7 125.2(6) . . . . ? Ir1 B2 B6 B11 161.8(5) . . . . ? Ir1 B2 B7 B6 -102.6(7) . . . . ? Ir1 B2 B7 B8 122.4(8) . . . . ? Ir1 B2 B7 B11 -138.3(6) . . . . ? Ir1 B2 B7 C12 160.7(6) . . . . ? Ir1 B2 B8 B3 103.5(7) . . . . ? Ir1 B2 B8 B7 -122.7(8) . . . . ? Ir1 B2 B8 B9 138.7(6) . . . . ? Ir1 B2 B8 C12 -160.7(6) . . . . ? Ir1 C29 C30 C31 65.0(6) . . . . ? Ir1 C29 C30 C35 -127.5(10) . . . . ? Ir1 C29 C33 C32 -67.3(6) . . . . ? Ir1 C29 C33 C38 127.0(9) . . . . ? Ir1 C30 C31 C32 61.8(6) . . . . ? Ir1 C30 C31 C36 -119.2(9) . . . . ? Ir1 C31 C32 C33 58.3(6) . . . . ? Ir1 C31 C32 C37 -118.5(11) . . . . ? Ir1 C32 C33 C29 66.5(6) . . . . ? Ir1 C32 C33 C38 -128.0(9) . . . . ? Ir2 S2 C9 N2 -176.2(7) . . . . ? Ir2 S2 C9 C12 2.9(7) . . . . ? Ir2 N4 C24 C25 178.8(6) 3_667 . . . ? Ir2 N4 C28 C27 -180.0(9) 3_667 . . . ? Ir2 B10 B11 B5 124.2(6) . . . . ? Ir2 B10 B11 B6 159.8(5) . . . . ? Ir2 B10 B11 B7 -136.4(5) . . . . ? Ir2 B10 B11 C12 -104.9(6) . . . . ? Ir2 B10 C12 B7 145.2(5) . . . . ? Ir2 B10 C12 B8 -144.0(5) . . . . ? Ir2 B10 C12 B9 -109.5(5) . . . . ? Ir2 B10 C12 B11 110.4(5) . . . . ? Ir2 B10 C12 C9 1.7(7) . . . . ? Ir2 C39 C40 C41 61.9(6) . . . . ? Ir2 C39 C40 C45 -124.8(8) . . . . ? Ir2 C39 C43 C42 -58.5(7) . . . . ? Ir2 C39 C43 C48 119.7(10) . . . . ? Ir2 C40 C41 C42 65.9(6) . . . . ? Ir2 C40 C41 C46 -124.6(10) . . . . ? Ir2 C41 C42 C43 63.2(7) . . . . ? Ir2 C41 C42 C47 -118.8(12) . . . . ? Ir2 C42 C43 C39 56.6(7) . . . . ? Ir2 C42 C43 C48 -121.4(12) . . . . ? N1 C3 C4 C5 -174.9(9) . . . . ? N1 C3 C8 C7 174.4(9) . . . . ? N2 C10 C11 C13 173.3(13) . . . . ? N2 C10 C16 C15 -174.7(13) . . . . ? N3 C17 C18 C19 -1.5(13) . . . . ? N4 C24 C25 C26 0.8(13) . . . . ? C1 B2 B3 B4 31.4(5) . . . . ? C1 B2 B3 B8 132.2(6) . . . . ? C1 B2 B3 B9 95.9(6) . . . . ? C1 B2 B6 B5 -31.0(5) . . . . ? C1 B2 B6 B7 -131.7(6) . . . . ? C1 B2 B6 B11 -95.1(5) . . . . ? C1 B2 B7 B6 39.0(5) . . . . ? C1 B2 B7 B8 -96.0(6) . . . . ? C1 B2 B7 B11 3.4(7) . . . . ? C1 B2 B7 C12 -57.6(6) . . . . ? C1 B2 B8 B3 -38.5(5) . . . . ? C1 B2 B8 B7 95.3(6) . . . . ? C1 B2 B8 B9 -3.3(7) . . . . ? C1 B2 B8 C12 57.3(6) . . . . ? C1 B3 B4 B5 33.7(5) . . . . ? C1 B3 B4 B9 135.4(5) . . . . ? C1 B3 B4 B10 98.6(6) . . . . ? C1 B3 B8 B2 42.9(5) . . . . ? C1 B3 B8 B7 2.1(8) . . . . ? C1 B3 B8 B9 -98.3(6) . . . . ? C1 B3 B8 C12 -58.9(7) . . . . ? C1 B3 B9 B4 -38.5(5) . . . . ? C1 B3 B9 B8 101.3(6) . . . . ? C1 B3 B9 B10 -2.8(7) . . . . ? C1 B3 B9 C12 60.7(6) . . . . ? C1 B4 B5 B6 33.2(5) . . . . ? C1 B4 B5 B10 137.1(6) . . . . ? C1 B4 B5 B11 96.2(6) . . . . ? C1 B4 B9 B3 37.2(5) . . . . ? C1 B4 B9 B8 1.5(7) . . . . ? C1 B4 B9 B10 -103.3(6) . . . . ? C1 B4 B9 C12 -60.5(7) . . . . ? C1 B4 B10 Ir2 -159.5(5) . . . . ? C1 B4 B10 B5 -37.8(5) . . . . ? C1 B4 B10 B9 96.1(6) . . . . ? C1 B4 B10 B11 0.2(7) . . . . ? C1 B4 B10 C12 57.1(6) . . . . ? C1 B5 B6 B2 31.5(5) . . . . ? C1 B5 B6 B7 96.0(6) . . . . ? C1 B5 B6 B11 133.8(5) . . . . ? C1 B5 B10 Ir2 158.3(5) . . . . ? C1 B5 B10 B4 37.7(5) . . . . ? C1 B5 B10 B9 -1.3(7) . . . . ? C1 B5 B10 B11 -97.1(6) . . . . ? C1 B5 B10 C12 -57.8(6) . . . . ? C1 B5 B11 B6 -39.4(5) . . . . ? C1 B5 B11 B7 -2.9(7) . . . . ? C1 B5 B11 B10 102.2(5) . . . . ? C1 B5 B11 C12 58.9(6) . . . . ? C1 B6 B7 B2 -42.1(5) . . . . ? C1 B6 B7 B8 -1.5(8) . . . . ? C1 B6 B7 B11 98.6(6) . . . . ? C1 B6 B7 C12 60.2(7) . . . . ? C1 B6 B11 B5 39.6(5) . . . . ? C1 B6 B11 B7 -99.2(6) . . . . ? C1 B6 B11 B10 4.1(7) . . . . ? C1 B6 B11 C12 -60.0(6) . . . . ? B2 C1 B3 B4 -145.6(5) . . . . ? B2 C1 B3 B8 -42.7(5) . . . . ? B2 C1 B3 B9 -106.9(6) . . . . ? B2 C1 B4 B3 34.3(5) . . . . ? B2 C1 B4 B5 -107.4(6) . . . . ? B2 C1 B4 B9 -4.1(7) . . . . ? B2 C1 B4 B10 -68.7(7) . . . . ? B2 C1 B5 B4 108.1(6) . . . . ? B2 C1 B5 B6 -34.3(5) . . . . ? B2 C1 B5 B10 69.8(7) . . . . ? B2 C1 B5 B11 5.6(7) . . . . ? B2 C1 B6 B5 145.8(5) . . . . ? B2 C1 B6 B7 42.0(5) . . . . ? B2 C1 B6 B11 105.9(6) . . . . ? B2 C1 C2 S1 -4.2(8) . . . . ? B2 C1 C2 N1 176.3(6) . . . . ? B2 B3 B4 C1 -32.4(5) . . . . ? B2 B3 B4 B5 1.3(7) . . . . ? B2 B3 B4 B9 103.0(6) . . . . ? B2 B3 B4 B10 66.2(7) . . . . ? B2 B3 B8 B7 -40.8(6) . . . . ? B2 B3 B8 B9 -141.2(6) . . . . ? B2 B3 B8 C12 -101.7(6) . . . . ? B2 B3 B9 B4 -103.5(6) . . . . ? B2 B3 B9 B8 36.3(6) . . . . ? B2 B3 B9 B10 -67.8(7) . . . . ? B2 B3 B9 C12 -4.2(7) . . . . ? B2 B6 B7 B8 40.7(6) . . . . ? B2 B6 B7 B11 140.7(6) . . . . ? B2 B6 B7 C12 102.3(6) . . . . ? B2 B6 B11 B5 102.8(6) . . . . ? B2 B6 B11 B7 -36.0(5) . . . . ? B2 B6 B11 B10 67.4(7) . . . . ? B2 B6 B11 C12 3.3(7) . . . . ? B2 B7 B8 B3 41.0(6) . . . . ? B2 B7 B8 B9 103.8(6) . . . . ? B2 B7 B8 C12 136.4(6) . . . . ? B2 B7 B11 B5 -0.4(8) . . . . ? B2 B7 B11 B6 36.9(5) . . . . ? B2 B7 B11 B10 -65.2(7) . . . . ? B2 B7 B11 C12 -97.5(6) . . . . ? B2 B7 C12 B8 -39.1(6) . . . . ? B2 B7 C12 B9 -2.2(8) . . . . ? B2 B7 C12 B10 69.4(8) . . . . ? B2 B7 C12 B11 104.1(6) . . . . ? B2 B7 C12 C9 -150.1(7) . . . . ? B2 B8 B9 B3 -35.6(6) . . . . ? B2 B8 B9 B4 1.2(8) . . . . ? B2 B8 B9 B10 65.2(7) . . . . ? B2 B8 B9 C12 97.1(6) . . . . ? B2 B8 C12 B7 38.7(5) . . . . ? B2 B8 C12 B9 -103.7(6) . . . . ? B2 B8 C12 B10 -69.0(7) . . . . ? B2 B8 C12 B11 2.4(8) . . . . ? B2 B8 C12 C9 148.4(6) . . . . ? B3 C1 B2 Ir1 -110.6(6) . . . . ? B3 C1 B2 B6 139.2(5) . . . . ? B3 C1 B2 B7 99.4(6) . . . . ? B3 C1 B2 B8 39.6(5) . . . . ? B3 C1 B4 B5 -141.7(5) . . . . ? B3 C1 B4 B9 -38.3(5) . . . . ? B3 C1 B4 B10 -103.0(6) . . . . ? B3 C1 B5 B4 37.8(5) . . . . ? B3 C1 B5 B6 -104.6(6) . . . . ? B3 C1 B5 B10 -0.4(7) . . . . ? B3 C1 B5 B11 -64.6(7) . . . . ? B3 C1 B6 B2 -39.1(5) . . . . ? B3 C1 B6 B5 106.7(6) . . . . ? B3 C1 B6 B7 2.9(7) . . . . ? B3 C1 B6 B11 66.8(7) . . . . ? B3 C1 C2 S1 66.5(7) . . . . ? B3 C1 C2 N1 -113.0(8) . . . . ? B3 B2 B6 C1 33.6(5) . . . . ? B3 B2 B6 B5 2.7(7) . . . . ? B3 B2 B6 B7 -98.0(6) . . . . ? B3 B2 B6 B11 -61.5(6) . . . . ? B3 B2 B7 B6 96.1(6) . . . . ? B3 B2 B7 B8 -38.9(5) . . . . ? B3 B2 B7 B11 60.4(7) . . . . ? B3 B2 B7 C12 -0.6(7) . . . . ? B3 B2 B8 B7 133.9(6) . . . . ? B3 B2 B8 B9 35.3(6) . . . . ? B3 B2 B8 C12 95.8(6) . . . . ? B3 B4 B5 C1 -32.7(5) . . . . ? B3 B4 B5 B6 0.4(7) . . . . ? B3 B4 B5 B10 104.4(6) . . . . ? B3 B4 B5 B11 63.4(7) . . . . ? B3 B4 B9 B8 -35.7(5) . . . . ? B3 B4 B9 B10 -140.5(6) . . . . ? B3 B4 B9 C12 -97.7(6) . . . . ? B3 B4 B10 Ir2 140.1(6) . . . . ? B3 B4 B10 B5 -98.3(6) . . . . ? B3 B4 B10 B9 35.6(5) . . . . ? B3 B4 B10 B11 -60.2(6) . . . . ? B3 B4 B10 C12 -3.4(6) . . . . ? B3 B8 B9 B4 36.9(5) . . . . ? B3 B8 B9 B10 100.8(6) . . . . ? B3 B8 B9 C12 132.7(6) . . . . ? B3 B8 C12 B7 101.6(6) . . . . ? B3 B8 C12 B9 -40.7(5) . . . . ? B3 B8 C12 B10 -6.1(7) . . . . ? B3 B8 C12 B11 65.3(7) . . . . ? B3 B8 C12 C9 -148.6(6) . . . . ? B3 B9 B10 Ir2 -160.3(5) . . . . ? B3 B9 B10 B4 -36.5(5) . . . . ? B3 B9 B10 B5 2.5(7) . . . . ? B3 B9 B10 B11 61.8(6) . . . . ? B3 B9 B10 C12 94.6(6) . . . . ? B3 B9 C12 B7 3.9(8) . . . . ? B3 B9 C12 B8 40.2(5) . . . . ? B3 B9 C12 B10 -105.6(5) . . . . ? B3 B9 C12 B11 -66.7(7) . . . . ? B3 B9 C12 C9 152.6(6) . . . . ? B4 C1 B2 Ir1 -145.5(5) . . . . ? B4 C1 B2 B3 -34.9(6) . . . . ? B4 C1 B2 B6 104.2(6) . . . . ? B4 C1 B2 B7 64.5(7) . . . . ? B4 C1 B2 B8 4.7(7) . . . . ? B4 C1 B3 B2 145.6(5) . . . . ? B4 C1 B3 B8 102.9(6) . . . . ? B4 C1 B3 B9 38.8(5) . . . . ? B4 C1 B5 B6 -142.4(5) . . . . ? B4 C1 B5 B10 -38.3(5) . . . . ? B4 C1 B5 B11 -102.5(6) . . . . ? B4 C1 B6 B2 -110.0(6) . . . . ? B4 C1 B6 B5 35.8(5) . . . . ? B4 C1 B6 B7 -67.9(7) . . . . ? B4 C1 B6 B11 -4.1(7) . . . . ? B4 C1 C2 S1 141.6(5) . . . . ? B4 C1 C2 N1 -37.9(9) . . . . ? B4 B3 B8 B2 105.1(6) . . . . ? B4 B3 B8 B7 64.3(7) . . . . ? B4 B3 B8 B9 -36.1(5) . . . . ? B4 B3 B8 C12 3.3(7) . . . . ? B4 B3 B9 B8 139.8(6) . . . . ? B4 B3 B9 B10 35.7(5) . . . . ? B4 B3 B9 C12 99.2(6) . . . . ? B4 B5 B6 C1 -33.5(5) . . . . ? B4 B5 B6 B2 -2.0(7) . . . . ? B4 B5 B6 B7 62.4(7) . . . . ? B4 B5 B6 B11 100.3(6) . . . . ? B4 B5 B10 Ir2 120.6(7) . . . . ? B4 B5 B10 B9 -39.0(5) . . . . ? B4 B5 B10 B11 -134.8(6) . . . . ? B4 B5 B10 C12 -95.5(6) . . . . ? B4 B5 B11 B6 -101.2(6) . . . . ? B4 B5 B11 B7 -64.7(7) . . . . ? B4 B5 B11 B10 40.4(5) . . . . ? B4 B5 B11 C12 -2.9(7) . . . . ? B4 B9 B10 Ir2 -123.8(6) . . . . ? B4 B9 B10 B5 39.0(5) . . . . ? B4 B9 B10 B11 98.3(5) . . . . ? B4 B9 B10 C12 131.1(5) . . . . ? B4 B9 C12 B7 67.4(7) . . . . ? B4 B9 C12 B8 103.7(6) . . . . ? B4 B9 C12 B10 -42.1(5) . . . . ? B4 B9 C12 B11 -3.2(8) . . . . ? B4 B9 C12 C9 -143.9(7) . . . . ? B4 B10 B11 B5 -38.3(5) . . . . ? B4 B10 B11 B6 -2.7(7) . . . . ? B4 B10 B11 B7 61.0(7) . . . . ? B4 B10 B11 C12 92.6(6) . . . . ? B4 B10 C12 B7 -64.8(7) . . . . ? B4 B10 C12 B8 6.1(7) . . . . ? B4 B10 C12 B9 40.6(5) . . . . ? B4 B10 C12 B11 -99.5(5) . . . . ? B4 B10 C12 C9 151.8(6) . . . . ? B5 C1 B2 Ir1 144.3(5) . . . . ? B5 C1 B2 B3 -105.1(6) . . . . ? B5 C1 B2 B6 34.1(5) . . . . ? B5 C1 B2 B7 -5.7(7) . . . . ? B5 C1 B2 B8 -65.5(7) . . . . ? B5 C1 B3 B2 108.9(6) . . . . ? B5 C1 B3 B4 -36.8(5) . . . . ? B5 C1 B3 B8 66.1(7) . . . . ? B5 C1 B3 B9 2.0(7) . . . . ? B5 C1 B4 B3 141.7(5) . . . . ? B5 C1 B4 B9 103.4(6) . . . . ? B5 C1 B4 B10 38.8(5) . . . . ? B5 C1 B6 B2 -145.8(5) . . . . ? B5 C1 B6 B7 -103.8(6) . . . . ? B5 C1 B6 B11 -39.9(5) . . . . ? B5 C1 C2 S1 -147.1(5) . . . . ? B5 C1 C2 N1 33.4(9) . . . . ? B5 B4 B9 B3 98.8(6) . . . . ? B5 B4 B9 B8 63.1(7) . . . . ? B5 B4 B9 B10 -41.7(5) . . . . ? B5 B4 B9 C12 1.1(7) . . . . ? B5 B4 B10 Ir2 -121.6(7) . . . . ? B5 B4 B10 B9 133.9(6) . . . . ? B5 B4 B10 B11 38.1(5) . . . . ? B5 B4 B10 C12 94.9(5) . . . . ? B5 B6 B7 B2 -103.7(6) . . . . ? B5 B6 B7 B8 -63.1(8) . . . . ? B5 B6 B7 B11 37.0(5) . . . . ? B5 B6 B7 C12 -1.4(8) . . . . ? B5 B6 B11 B7 -138.8(6) . . . . ? B5 B6 B11 B10 -35.4(5) . . . . ? B5 B6 B11 C12 -99.5(5) . . . . ? B5 B10 B11 B6 35.6(5) . . . . ? B5 B10 B11 B7 99.3(6) . . . . ? B5 B10 B11 C12 130.9(6) . . . . ? B5 B10 C12 B7 -5.6(7) . . . . ? B5 B10 C12 B8 65.2(6) . . . . ? B5 B10 C12 B9 99.7(5) . . . . ? B5 B10 C12 B11 -40.4(5) . . . . ? B5 B10 C12 C9 -149.1(6) . . . . ? B5 B11 C12 B7 -102.4(6) . . . . ? B5 B11 C12 B8 -66.8(7) . . . . ? B5 B11 C12 B9 3.9(8) . . . . ? B5 B11 C12 B10 43.0(5) . . . . ? B5 B11 C12 C9 145.5(6) . . . . ? B6 C1 B2 Ir1 110.3(5) . . . . ? B6 C1 B2 B3 -139.2(5) . . . . ? B6 C1 B2 B7 -39.7(5) . . . . ? B6 C1 B2 B8 -99.6(6) . . . . ? B6 C1 B3 B2 39.5(6) . . . . ? B6 C1 B3 B4 -106.1(6) . . . . ? B6 C1 B3 B8 -3.2(8) . . . . ? B6 C1 B3 B9 -67.4(7) . . . . ? B6 C1 B4 B3 105.4(6) . . . . ? B6 C1 B4 B5 -36.3(5) . . . . ? B6 C1 B4 B9 67.1(7) . . . . ? B6 C1 B4 B10 2.5(7) . . . . ? B6 C1 B5 B4 142.4(5) . . . . ? B6 C1 B5 B10 104.1(6) . . . . ? B6 C1 B5 B11 39.9(5) . . . . ? B6 C1 C2 S1 -75.4(7) . . . . ? B6 C1 C2 N1 105.1(8) . . . . ? B6 B2 B3 C1 -33.8(5) . . . . ? B6 B2 B3 B4 -2.4(7) . . . . ? B6 B2 B3 B8 98.4(6) . . . . ? B6 B2 B3 B9 62.1(7) . . . . ? B6 B2 B7 B8 -135.0(6) . . . . ? B6 B2 B7 B11 -35.7(5) . . . . ? B6 B2 B7 C12 -96.7(6) . . . . ? B6 B2 B8 B3 -96.0(6) . . . . ? B6 B2 B8 B7 37.8(5) . . . . ? B6 B2 B8 B9 -60.8(7) . . . . ? B6 B2 B8 C12 -0.2(7) . . . . ? B6 B5 B10 Ir2 -139.6(6) . . . . ? B6 B5 B10 B4 99.8(6) . . . . ? B6 B5 B10 B9 60.8(7) . . . . ? B6 B5 B10 B11 -35.0(6) . . . . ? B6 B5 B10 C12 4.3(7) . . . . ? B6 B5 B11 B7 36.5(5) . . . . ? B6 B5 B11 B10 141.5(6) . . . . ? B6 B5 B11 C12 98.3(6) . . . . ? B6 B7 B8 B2 -41.4(6) . . . . ? B6 B7 B8 B3 -0.4(8) . . . . ? B6 B7 B8 B9 62.4(7) . . . . ? B6 B7 B8 C12 95.0(6) . . . . ? B6 B7 B11 B5 -37.3(5) . . . . ? B6 B7 B11 B10 -102.1(6) . . . . ? B6 B7 B11 C12 -134.4(6) . . . . ? B6 B7 C12 B8 -103.9(6) . . . . ? B6 B7 C12 B9 -67.0(8) . . . . ? B6 B7 C12 B10 4.6(8) . . . . ? B6 B7 C12 B11 39.3(5) . . . . ? B6 B7 C12 C9 145.0(7) . . . . ? B6 B11 C12 B7 -39.2(5) . . . . ? B6 B11 C12 B8 -3.6(7) . . . . ? B6 B11 C12 B9 67.1(7) . . . . ? B6 B11 C12 B10 106.2(5) . . . . ? B6 B11 C12 C9 -151.3(6) . . . . ? B7 B2 B3 C1 -92.9(6) . . . . ? B7 B2 B3 B4 -61.5(7) . . . . ? B7 B2 B3 B8 39.3(6) . . . . ? B7 B2 B3 B9 3.0(8) . . . . ? B7 B2 B6 C1 131.7(6) . . . . ? B7 B2 B6 B5 100.7(6) . . . . ? B7 B2 B6 B11 36.5(5) . . . . ? B7 B2 B8 B3 -133.9(6) . . . . ? B7 B2 B8 B9 -98.6(7) . . . . ? B7 B2 B8 C12 -38.0(5) . . . . ? B7 B6 B11 B5 138.8(6) . . . . ? B7 B6 B11 B10 103.3(6) . . . . ? B7 B6 B11 C12 39.2(5) . . . . ? B7 B8 B9 B3 -99.5(6) . . . . ? B7 B8 B9 B4 -62.7(7) . . . . ? B7 B8 B9 B10 1.3(7) . . . . ? B7 B8 B9 C12 33.1(5) . . . . ? B7 B8 C12 B9 -142.3(6) . . . . ? B7 B8 C12 B10 -107.7(6) . . . . ? B7 B8 C12 B11 -36.3(6) . . . . ? B7 B8 C12 C9 109.8(7) . . . . ? B7 B11 C12 B8 35.7(6) . . . . ? B7 B11 C12 B9 106.3(7) . . . . ? B7 B11 C12 B10 145.4(6) . . . . ? B7 B11 C12 C9 -112.1(7) . . . . ? B7 C12 C9 S2 -145.3(6) . . . . ? B7 C12 C9 N2 33.8(11) . . . . ? B8 B2 B3 C1 -132.2(6) . . . . ? B8 B2 B3 B4 -100.8(6) . . . . ? B8 B2 B3 B9 -36.3(6) . . . . ? B8 B2 B6 C1 93.2(6) . . . . ? B8 B2 B6 B5 62.2(7) . . . . ? B8 B2 B6 B7 -38.5(5) . . . . ? B8 B2 B6 B11 -1.9(7) . . . . ? B8 B2 B7 B6 135.0(6) . . . . ? B8 B2 B7 B11 99.3(6) . . . . ? B8 B2 B7 C12 38.3(6) . . . . ? B8 B3 B4 C1 -98.4(6) . . . . ? B8 B3 B4 B5 -64.7(7) . . . . ? B8 B3 B4 B9 37.0(5) . . . . ? B8 B3 B4 B10 0.2(7) . . . . ? B8 B3 B9 B4 -139.8(6) . . . . ? B8 B3 B9 B10 -104.1(6) . . . . ? B8 B3 B9 C12 -40.5(5) . . . . ? B8 B7 B11 B5 64.3(7) . . . . ? B8 B7 B11 B6 101.6(6) . . . . ? B8 B7 B11 B10 -0.4(8) . . . . ? B8 B7 B11 C12 -32.7(5) . . . . ? B8 B7 C12 B9 36.9(6) . . . . ? B8 B7 C12 B10 108.5(6) . . . . ? B8 B7 C12 B11 143.2(6) . . . . ? B8 B7 C12 C9 -111.1(7) . . . . ? B8 B9 B10 Ir2 136.5(5) . . . . ? B8 B9 B10 B4 -99.8(6) . . . . ? B8 B9 B10 B5 -60.8(7) . . . . ? B8 B9 B10 B11 -1.4(7) . . . . ? B8 B9 B10 C12 31.3(5) . . . . ? B8 B9 C12 B7 -36.3(6) . . . . ? B8 B9 C12 B10 -145.8(5) . . . . ? B8 B9 C12 B11 -106.9(7) . . . . ? B8 B9 C12 C9 112.3(7) . . . . ? B8 C12 C9 S2 141.7(6) . . . . ? B8 C12 C9 N2 -39.2(11) . . . . ? B9 B3 B4 C1 -135.4(5) . . . . ? B9 B3 B4 B5 -101.7(6) . . . . ? B9 B3 B4 B10 -36.8(5) . . . . ? B9 B3 B8 B2 141.2(6) . . . . ? B9 B3 B8 B7 100.4(6) . . . . ? B9 B3 B8 C12 39.4(5) . . . . ? B9 B4 B5 C1 -95.1(6) . . . . ? B9 B4 B5 B6 -61.9(7) . . . . ? B9 B4 B5 B10 42.1(6) . . . . ? B9 B4 B5 B11 1.1(7) . . . . ? B9 B4 B10 Ir2 104.5(6) . . . . ? B9 B4 B10 B5 -133.9(6) . . . . ? B9 B4 B10 B11 -95.8(6) . . . . ? B9 B4 B10 C12 -39.0(4) . . . . ? B9 B8 C12 B7 142.3(6) . . . . ? B9 B8 C12 B10 34.6(5) . . . . ? B9 B8 C12 B11 106.1(6) . . . . ? B9 B8 C12 C9 -107.9(7) . . . . ? B9 B10 B11 B5 -98.2(5) . . . . ? B9 B10 B11 B6 -62.6(6) . . . . ? B9 B10 B11 B7 1.1(7) . . . . ? B9 B10 B11 C12 32.7(5) . . . . ? B9 B10 C12 B7 -105.3(7) . . . . ? B9 B10 C12 B8 -34.5(6) . . . . ? B9 B10 C12 B11 -140.1(6) . . . . ? B9 B10 C12 C9 111.2(6) . . . . ? B9 C12 C9 S2 67.8(8) . . . . ? B9 C12 C9 N2 -113.1(9) . . . . ? B10 B4 B5 C1 -137.1(6) . . . . ? B10 B4 B5 B6 -103.9(6) . . . . ? B10 B4 B5 B11 -41.0(6) . . . . ? B10 B4 B9 B3 140.5(6) . . . . ? B10 B4 B9 B8 104.8(6) . . . . ? B10 B4 B9 C12 42.8(5) . . . . ? B10 B5 B6 C1 -98.0(6) . . . . ? B10 B5 B6 B2 -66.5(7) . . . . ? B10 B5 B6 B7 -2.0(8) . . . . ? B10 B5 B6 B11 35.8(5) . . . . ? B10 B5 B11 B6 -141.5(6) . . . . ? B10 B5 B11 B7 -105.1(6) . . . . ? B10 B5 B11 C12 -43.3(5) . . . . ? B10 B9 C12 B7 109.5(6) . . . . ? B10 B9 C12 B8 145.8(5) . . . . ? B10 B9 C12 B11 38.9(6) . . . . ? B10 B9 C12 C9 -101.8(7) . . . . ? B10 B11 C12 B7 -145.4(6) . . . . ? B10 B11 C12 B8 -109.8(6) . . . . ? B10 B11 C12 B9 -39.1(6) . . . . ? B10 B11 C12 C9 102.5(7) . . . . ? B10 C12 C9 S2 -2.8(8) . . . . ? B10 C12 C9 N2 176.2(8) . . . . ? B11 B5 B6 C1 -133.8(5) . . . . ? B11 B5 B6 B2 -102.3(6) . . . . ? B11 B5 B6 B7 -37.8(6) . . . . ? B11 B5 B10 Ir2 -104.6(7) . . . . ? B11 B5 B10 B4 134.8(6) . . . . ? B11 B5 B10 B9 95.8(6) . . . . ? B11 B5 B10 C12 39.3(5) . . . . ? B11 B6 B7 B2 -140.7(6) . . . . ? B11 B6 B7 B8 -100.0(6) . . . . ? B11 B6 B7 C12 -38.3(5) . . . . ? B11 B7 B8 B2 -104.3(6) . . . . ? B11 B7 B8 B3 -63.3(7) . . . . ? B11 B7 B8 B9 -0.5(7) . . . . ? B11 B7 B8 C12 32.1(5) . . . . ? B11 B7 C12 B8 -143.2(6) . . . . ? B11 B7 C12 B9 -106.3(6) . . . . ? B11 B7 C12 B10 -34.7(6) . . . . ? B11 B7 C12 C9 105.7(7) . . . . ? B11 B10 C12 B7 34.8(6) . . . . ? B11 B10 C12 B8 105.6(6) . . . . ? B11 B10 C12 B9 140.1(6) . . . . ? B11 B10 C12 C9 -108.7(7) . . . . ? B11 C12 C9 S2 -72.5(7) . . . . ? B11 C12 C9 N2 106.6(9) . . . . ? C12 B7 B8 B2 -136.4(6) . . . . ? C12 B7 B8 B3 -95.4(6) . . . . ? C12 B7 B8 B9 -32.5(5) . . . . ? C12 B7 B11 B5 97.1(6) . . . . ? C12 B7 B11 B6 134.4(6) . . . . ? C12 B7 B11 B10 32.3(5) . . . . ? C12 B8 B9 B3 -132.7(6) . . . . ? C12 B8 B9 B4 -95.8(6) . . . . ? C12 B8 B9 B10 -31.9(5) . . . . ? C12 B9 B10 Ir2 105.1(5) . . . . ? C12 B9 B10 B4 -131.1(5) . . . . ? C12 B9 B10 B5 -92.1(6) . . . . ? C12 B9 B10 B11 -32.8(5) . . . . ? C12 B10 B11 B5 -130.9(6) . . . . ? C12 B10 B11 B6 -95.3(6) . . . . ? C12 B10 B11 B7 -31.5(5) . . . . ? C2 N1 C3 C4 -114.7(9) . . . . ? C2 N1 C3 C8 73.7(11) . . . . ? C2 C1 B2 Ir1 1.0(8) . . . . ? C2 C1 B2 B3 111.6(6) . . . . ? C2 C1 B2 B6 -109.3(6) . . . . ? C2 C1 B2 B7 -149.0(6) . . . . ? C2 C1 B2 B8 151.2(6) . . . . ? C2 C1 B3 B2 -103.7(7) . . . . ? C2 C1 B3 B4 110.7(7) . . . . ? C2 C1 B3 B8 -146.5(6) . . . . ? C2 C1 B3 B9 149.4(6) . . . . ? C2 C1 B4 B3 -110.4(7) . . . . ? C2 C1 B4 B5 107.8(7) . . . . ? C2 C1 B4 B9 -148.8(6) . . . . ? C2 C1 B4 B10 146.6(6) . . . . ? C2 C1 B5 B4 -110.0(7) . . . . ? C2 C1 B5 B6 107.6(6) . . . . ? C2 C1 B5 B10 -148.2(6) . . . . ? C2 C1 B5 B11 147.5(6) . . . . ? C2 C1 B6 B2 105.0(6) . . . . ? C2 C1 B6 B5 -109.2(7) . . . . ? C2 C1 B6 B7 147.0(6) . . . . ? C2 C1 B6 B11 -149.1(6) . . . . ? C3 N1 C2 S1 4.6(11) . . . . ? C3 N1 C2 C1 -175.9(7) . . . . ? C3 C4 C5 C6 2.3(18) . . . . ? C4 C3 C8 C7 2.7(15) . . . . ? C4 C5 C6 C7 -1.1(18) . . . . ? C5 C6 C7 C8 0.8(18) . . . . ? C6 C7 C8 C3 -1.6(17) . . . . ? C8 C3 C4 C5 -3.1(15) . . . . ? C9 N2 C10 C11 110.0(14) . . . . ? C9 N2 C10 C16 -73.4(14) . . . . ? C10 N2 C9 S2 2.2(14) . . . . ? C10 N2 C9 C12 -176.7(9) . . . . ? C10 C11 C13 C14 2(3) . . . . ? C11 C10 C16 C15 2(2) . . . . ? C11 C13 C14 C15 1(3) . . . . ? C13 C14 C15 C16 -3(3) . . . . ? C14 C15 C16 C10 1(2) . . . . ? C16 C10 C11 C13 -3(2) . . . . ? C17 N3 C21 C20 1.2(12) . . . . ? C17 C18 C19 C20 2.6(13) . . . . ? C17 C18 C19 C22 -178.8(8) . . . . ? C18 C19 C20 C21 -1.9(14) . . . . ? C18 C19 C22 C23 -179.3(11) . . . . ? C19 C20 C21 N3 0.0(14) . . . . ? C19 C22 C23 C26 -175.0(10) . . . . ? C20 C19 C22 C23 -0.8(17) . . . . ? C21 N3 C17 C18 -0.5(12) . . . . ? C22 C19 C20 C21 179.5(9) . . . . ? C22 C23 C26 C25 -1.9(18) . . . . ? C22 C23 C26 C27 174.9(12) . . . . ? C23 C26 C27 C28 -176.0(10) . . . . ? C24 N4 C28 C27 -3.2(14) . . . . ? C24 C25 C26 C23 174.8(9) . . . . ? C24 C25 C26 C27 -2.2(13) . . . . ? C25 C26 C27 C28 1.0(16) . . . . ? C26 C27 C28 N4 1.7(18) . . . . ? C28 N4 C24 C25 2.0(12) . . . . ? C29 C30 C31 Ir1 -64.4(6) . . . . ? C29 C30 C31 C32 -2.7(10) . . . . ? C29 C30 C31 C36 176.4(9) . . . . ? C30 C29 C33 Ir1 60.0(6) . . . . ? C30 C29 C33 C32 -7.4(10) . . . . ? C30 C29 C33 C38 -173.0(9) . . . . ? C30 C31 C32 Ir1 -60.2(6) . . . . ? C30 C31 C32 C33 -1.8(10) . . . . ? C30 C31 C32 C37 -178.7(10) . . . . ? C31 C32 C33 Ir1 -61.0(6) . . . . ? C31 C32 C33 C29 5.6(10) . . . . ? C31 C32 C33 C38 171.1(9) . . . . ? C33 C29 C30 Ir1 -58.8(6) . . . . ? C33 C29 C30 C31 6.3(10) . . . . ? C33 C29 C30 C35 173.7(9) . . . . ? C34 C29 C30 Ir1 125.8(8) . . . . ? C34 C29 C30 C31 -169.2(8) . . . . ? C34 C29 C30 C35 -1.7(15) . . . . ? C34 C29 C33 Ir1 -124.8(9) . . . . ? C34 C29 C33 C32 167.9(8) . . . . ? C34 C29 C33 C38 2.2(14) . . . . ? C35 C30 C31 Ir1 128.0(10) . . . . ? C35 C30 C31 C32 -170.2(9) . . . . ? C35 C30 C31 C36 8.8(15) . . . . ? C36 C31 C32 Ir1 120.7(9) . . . . ? C36 C31 C32 C33 179.1(9) . . . . ? C36 C31 C32 C37 2.2(16) . . . . ? C37 C32 C33 Ir1 116.0(10) . . . . ? C37 C32 C33 C29 -177.4(9) . . . . ? C37 C32 C33 C38 -11.9(15) . . . . ? C39 C40 C41 Ir2 -61.7(6) . . . . ? C39 C40 C41 C42 4.2(9) . . . . ? C39 C40 C41 C46 173.7(10) . . . . ? C40 C39 C43 Ir2 64.5(6) . . . . ? C40 C39 C43 C42 6.0(11) . . . . ? C40 C39 C43 C48 -175.8(10) . . . . ? C40 C41 C42 Ir2 -63.8(6) . . . . ? C40 C41 C42 C43 -0.6(11) . . . . ? C40 C41 C42 C47 177.4(11) . . . . ? C41 C42 C43 Ir2 -60.1(7) . . . . ? C41 C42 C43 C39 -3.5(11) . . . . ? C41 C42 C43 C48 178.5(11) . . . . ? C43 C39 C40 Ir2 -68.2(6) . . . . ? C43 C39 C40 C41 -6.2(9) . . . . ? C43 C39 C40 C45 167.1(8) . . . . ? C44 C39 C40 Ir2 120.9(13) . . . . ? C44 C39 C40 C41 -177.2(11) . . . . ? C44 C39 C40 C45 -3.9(16) . . . . ? C44 C39 C43 Ir2 -123.5(11) . . . . ? C44 C39 C43 C42 177.9(10) . . . . ? C44 C39 C43 C48 -3.8(16) . . . . ? C45 C40 C41 Ir2 125.5(9) . . . . ? C45 C40 C41 C42 -168.5(9) . . . . ? C45 C40 C41 C46 1.0(15) . . . . ? C46 C41 C42 Ir2 127.2(11) . . . . ? C46 C41 C42 C43 -169.6(10) . . . . ? C46 C41 C42 C47 8.4(18) . . . . ? C47 C42 C43 Ir2 121.8(12) . . . . ? C47 C42 C43 C39 178.4(11) . . . . ? C47 C42 C43 C48 0.4(19) . . . . ? C49 C50 C51 C52 168(5) . . . . ? C50 C51 C52 C53 93(5) . . . . ? C54 C50 C51 C52 49(6) . . . . ? _shelx_res_file ; platon_sq.res created by SHELXL-2014/7 TITL ga-200107c_a.res in P2(1)/c CELL 1.34138 16.176 20.1918 19.1978 90 101.191 90 ZERR 2 0.0007 0.0009 0.0008 0 0.002 0 LATT 1 SYMM -X,0.5+Y,0.5-Z SFAC C H B Ir N S Cl DISP B 0.007 0.003 27.196 DISP C 0.015 0.007 57.728 DISP Cl 0.329 0.54 4084.838 DISP H -0 0 0.648 DISP Ir -5.439 5.471 43412.958 DISP N 0.025 0.014 110.473 DISP S 0.292 0.425 3240.688 UNIT 212 276 40 8 16 8 16 DFIX 2.55 0.04 C49 C54 C50 C52 DFIX 1.52 0.03 C49 C50 C50 C51 C51 C52 DFIX 1.52 C50 C54 DFIX 1.4 C32 C33 DFIX 1.4 C11 C13 C15 C16 ISOR 0.02 0.04 C11 C13 C14 C15 C16 C43 C44 C45 C46 ISOR 0.02 0.04 C47 C48 C49 C50 C51 C52 C53 ISOR 0.01 0.02 C54 L.S. 8 0 86 PLAN 20 SIZE 0.19 0.21 0.23 TEMP -100.16 ABIN BOND $H fmap 2 acta MORE -1 CONF OMIT -2 113 OMIT 0 2 0 OMIT 0 1 1 OMIT 1 0 2 OMIT 11 0 4 OMIT 0 4 3 OMIT 2 0 0 REM REM REM WGHT 0.125300 18.223902 FVAR 0.13961 IR1 4 0.425683 0.678048 0.649362 11.00000 0.04664 0.05080 = 0.05322 -0.00352 0.01324 -0.00690 IR2 4 0.834536 0.770591 0.915041 11.00000 0.03622 0.04507 = 0.06355 0.00056 0.01397 -0.00121 S1 6 0.381409 0.764575 0.715174 11.00000 0.03968 0.06044 = 0.06262 -0.00875 0.00665 0.00115 S2 6 0.883816 0.687753 0.849534 11.00000 0.04049 0.06153 = 0.08222 -0.00912 0.01870 0.00592 N1 5 0.460959 0.833158 0.831410 11.00000 0.04164 0.06100 = 0.05731 -0.00922 0.01113 0.00493 N2 5 0.808854 0.608036 0.745116 11.00000 0.05604 0.07842 = 0.08573 -0.02750 0.01120 0.01888 N3 5 0.396243 0.607175 0.722306 11.00000 0.04882 0.05735 = 0.05355 -0.00744 0.01612 -0.01121 N4 5 0.195452 0.300581 1.013972 11.00000 0.03966 0.05117 = 0.05691 0.00328 0.00983 0.00209 C1 1 0.546882 0.757770 0.782063 11.00000 0.03482 0.04477 = 0.04642 0.00050 0.01189 -0.00232 B2 3 0.543812 0.695012 0.716053 11.00000 0.03890 0.04766 = 0.06059 0.00439 0.01867 0.00164 B3 3 0.596553 0.773358 0.714526 11.00000 0.03895 0.04445 = 0.04813 0.00282 0.01254 -0.00204 AFIX 153 H3 2 0.572330 0.808264 0.669886 11.00000 -1.20000 AFIX 0 B4 3 0.637300 0.804249 0.803059 11.00000 0.03681 0.03942 = 0.05722 0.00397 0.01373 -0.00290 AFIX 153 H4 2 0.639320 0.858342 0.816188 11.00000 -1.20000 AFIX 0 B5 3 0.612761 0.744447 0.862383 11.00000 0.04160 0.04646 = 0.04361 0.00111 0.01399 -0.00321 AFIX 153 H5 2 0.597843 0.758600 0.914988 11.00000 -1.20000 AFIX 0 B6 3 0.558885 0.677858 0.811800 11.00000 0.04198 0.04127 = 0.05755 -0.00328 0.01875 -0.00561 AFIX 153 H6 2 0.510049 0.648528 0.832491 11.00000 -1.20000 AFIX 0 B7 3 0.625973 0.641388 0.761246 11.00000 0.04977 0.04450 = 0.06482 -0.00315 0.01194 -0.00002 AFIX 153 H7 2 0.623831 0.587219 0.748467 11.00000 -1.20000 AFIX 0 B8 3 0.650320 0.700970 0.700328 11.00000 0.04634 0.05184 = 0.06129 -0.00361 0.01879 0.00027 AFIX 153 H8 2 0.664672 0.686767 0.647542 11.00000 -1.20000 AFIX 0 B9 3 0.705316 0.767387 0.751967 11.00000 0.03916 0.04873 = 0.05009 0.00339 0.01822 -0.00311 AFIX 153 H9 2 0.754524 0.796391 0.731404 11.00000 -1.20000 AFIX 0 B10 3 0.719786 0.751170 0.847925 11.00000 0.04454 0.03982 = 0.06447 0.02084 0.03122 0.01076 B11 3 0.666848 0.671253 0.849442 11.00000 0.04835 0.03896 = 0.05458 0.00202 0.01816 0.00091 AFIX 153 H11 2 0.691008 0.636073 0.893836 11.00000 -1.20000 AFIX 0 C12 1 0.716386 0.688257 0.781418 11.00000 0.04270 0.04416 = 0.06077 -0.00067 0.02084 0.00175 C2 1 0.463850 0.789780 0.782293 11.00000 0.03841 0.05264 = 0.05505 -0.00022 0.01516 -0.00058 C3 1 0.383546 0.862998 0.838476 11.00000 0.04344 0.06847 = 0.04715 -0.00995 0.00744 0.00532 C4 1 0.371339 0.930402 0.826506 11.00000 0.06017 0.06810 = 0.10285 -0.00182 0.03161 0.00391 AFIX 43 H4A 2 0.413326 0.955428 0.809887 11.00000 -1.20000 AFIX 0 C5 1 0.299813 0.961732 0.838177 11.00000 0.07644 0.07634 = 0.11193 0.00263 0.03054 0.01671 AFIX 43 H5A 2 0.291926 1.007587 0.827928 11.00000 -1.20000 AFIX 0 C6 1 0.240432 0.927394 0.864285 11.00000 0.06615 0.10758 = 0.08404 0.00487 0.02879 0.03580 AFIX 43 H6A 2 0.191469 0.949212 0.873137 11.00000 -1.20000 AFIX 0 C7 1 0.251860 0.859513 0.878095 11.00000 0.06578 0.13786 = 0.07459 0.02042 0.03817 0.01549 AFIX 43 H7A 2 0.210234 0.835048 0.895838 11.00000 -1.20000 AFIX 0 C8 1 0.323806 0.828081 0.865887 11.00000 0.06441 0.08649 = 0.07504 0.01816 0.02253 0.01288 AFIX 43 H8A 2 0.332074 0.782308 0.876421 11.00000 -1.20000 AFIX 0 C9 1 0.801307 0.655686 0.785565 11.00000 0.04973 0.05076 = 0.06775 -0.00199 0.02016 0.00914 C10 1 0.890454 0.576250 0.753789 11.00000 0.06586 0.10541 = 0.09771 -0.03427 0.00226 0.03522 C11 1 0.904057 0.516219 0.779481 11.00000 0.10006 0.09023 = 0.19357 -0.01453 0.00522 0.02080 AFIX 43 H11A 2 0.860250 0.494901 0.797514 11.00000 -1.20000 AFIX 0 C13 1 0.982258 0.480705 0.781831 11.00000 0.09950 0.10057 = 0.17040 -0.02098 0.00629 0.02881 AFIX 43 H13 2 0.989123 0.436747 0.799656 11.00000 -1.20000 AFIX 0 C14 1 1.044571 0.511563 0.758185 11.00000 0.10005 0.13087 = 0.14823 -0.04976 0.01638 0.03305 AFIX 43 H14 2 1.095757 0.488390 0.758517 11.00000 -1.20000 AFIX 0 C15 1 1.037377 0.574759 0.733733 11.00000 0.09270 0.16157 = 0.16812 -0.01793 0.04760 0.00921 AFIX 43 H15 2 1.083633 0.595887 0.719093 11.00000 -1.20000 AFIX 0 C16 1 0.959310 0.609300 0.730217 11.00000 0.07695 0.13101 = 0.12300 -0.02378 0.02794 0.01967 AFIX 43 H16 2 0.952916 0.653352 0.712618 11.00000 -1.20000 AFIX 0 C17 1 0.439516 0.549878 0.731306 11.00000 0.05565 0.05180 = 0.06755 -0.00650 0.01153 -0.00709 AFIX 43 H17 2 0.488387 0.545450 0.711098 11.00000 -1.20000 AFIX 0 C18 1 0.415585 0.497541 0.768663 11.00000 0.06209 0.04880 = 0.08107 -0.00232 0.02048 -0.00225 AFIX 43 H18 2 0.446981 0.457490 0.772933 11.00000 -1.20000 AFIX 0 C19 1 0.345282 0.503179 0.800290 11.00000 0.05860 0.06080 = 0.07120 -0.00610 0.01287 -0.00412 C20 1 0.300267 0.562269 0.789324 11.00000 0.05566 0.06476 = 0.09129 0.00402 0.03312 -0.00542 AFIX 43 H20 2 0.250922 0.567664 0.808695 11.00000 -1.20000 AFIX 0 C21 1 0.326668 0.613608 0.750293 11.00000 0.06037 0.06993 = 0.06701 0.00170 0.01774 -0.00142 AFIX 43 H21 2 0.295154 0.653576 0.743394 11.00000 -1.20000 AFIX 0 C22 1 0.320515 0.448128 0.841287 11.00000 0.07262 0.06107 = 0.08047 0.00282 0.02365 0.01018 AFIX 43 H22 2 0.355068 0.409743 0.845160 11.00000 -1.20000 AFIX 0 C23 1 0.257062 0.445828 0.872762 11.00000 0.06035 0.07595 = 0.09736 0.01518 0.02207 0.00574 AFIX 43 H23 2 0.220143 0.482846 0.865435 11.00000 -1.20000 AFIX 0 C24 1 0.259619 0.290520 0.980764 11.00000 0.04682 0.05722 = 0.04941 0.00332 0.01148 0.00864 AFIX 43 H24 2 0.291735 0.251070 0.990759 11.00000 -1.20000 AFIX 0 C25 1 0.281382 0.334519 0.932832 11.00000 0.05334 0.06543 = 0.05566 0.00598 0.01803 0.00480 AFIX 43 H25 2 0.327127 0.325212 0.909928 11.00000 -1.20000 AFIX 0 C26 1 0.234917 0.393779 0.918006 11.00000 0.05839 0.06572 = 0.07145 0.01621 0.01682 0.00544 C27 1 0.167375 0.401637 0.952401 11.00000 0.06651 0.07676 = 0.10930 0.03575 0.03056 0.02627 AFIX 43 H27 2 0.133390 0.440258 0.943741 11.00000 -1.20000 AFIX 0 C28 1 0.149117 0.354772 0.998391 11.00000 0.05422 0.06110 = 0.09567 0.01594 0.02060 0.00628 AFIX 43 H28 2 0.101617 0.361164 1.019984 11.00000 -1.20000 AFIX 0 C29 1 0.464629 0.655717 0.546595 11.00000 0.06318 0.07246 = 0.05223 -0.00068 0.01284 -0.01317 C30 1 0.406457 0.607871 0.558984 11.00000 0.08390 0.06809 = 0.05966 -0.01755 0.03596 -0.01880 C31 1 0.327520 0.640626 0.557515 11.00000 0.05872 0.07753 = 0.06009 -0.00386 0.00560 -0.00770 C32 1 0.338210 0.709154 0.547465 11.00000 0.06387 0.07200 = 0.06867 -0.00854 -0.00026 -0.00253 C33 1 0.426655 0.719508 0.544925 11.00000 0.07627 0.06844 = 0.04688 -0.00656 0.00636 -0.01388 C34 1 0.550557 0.639946 0.531625 11.00000 0.06886 0.12339 = 0.05504 -0.00872 0.02199 0.00236 AFIX 137 H34A 2 0.578049 0.606773 0.565652 11.00000 -1.50000 H34B 2 0.584803 0.680323 0.536204 11.00000 -1.50000 H34C 2 0.544697 0.622486 0.483284 11.00000 -1.50000 AFIX 0 C35 1 0.418286 0.535961 0.557638 11.00000 0.11362 0.07093 = 0.07352 -0.01627 0.02203 -0.00009 AFIX 137 H35A 2 0.389674 0.518429 0.511649 11.00000 -1.50000 H35B 2 0.394493 0.515488 0.595644 11.00000 -1.50000 H35C 2 0.478603 0.525875 0.564720 11.00000 -1.50000 AFIX 0 C36 1 0.245761 0.608448 0.564216 11.00000 0.07352 0.10428 = 0.08422 -0.00411 0.00718 -0.02903 AFIX 137 H36A 2 0.207713 0.641827 0.577598 11.00000 -1.50000 H36B 2 0.256429 0.573954 0.600772 11.00000 -1.50000 H36C 2 0.219769 0.588559 0.518654 11.00000 -1.50000 AFIX 0 C37 1 0.272762 0.763781 0.543855 11.00000 0.09680 0.10233 = 0.08959 -0.00393 -0.02083 0.02468 AFIX 137 H37A 2 0.239360 0.766405 0.495545 11.00000 -1.50000 H37B 2 0.301192 0.806190 0.556507 11.00000 -1.50000 H37C 2 0.235567 0.753943 0.577188 11.00000 -1.50000 AFIX 0 C38 1 0.465670 0.783322 0.525031 11.00000 0.12296 0.09085 = 0.06203 0.02089 0.01244 -0.02924 AFIX 137 H38A 2 0.526974 0.778132 0.532167 11.00000 -1.50000 H38B 2 0.452105 0.819456 0.554997 11.00000 -1.50000 H38C 2 0.443152 0.793634 0.475069 11.00000 -1.50000 AFIX 0 C39 1 0.920498 0.845128 0.889476 11.00000 0.07189 0.05728 = 0.13342 -0.00607 0.04427 -0.02443 C40 1 0.843538 0.876886 0.900317 11.00000 0.04957 0.03374 = 0.11926 -0.00245 -0.02832 -0.00174 C41 1 0.837241 0.863645 0.971633 11.00000 0.09637 0.06371 = 0.12263 -0.04503 0.05928 -0.03764 C42 1 0.908917 0.830336 1.003464 11.00000 0.10160 0.06363 = 0.07286 -0.00641 -0.02499 -0.02445 C43 1 0.960712 0.820932 0.955897 11.00000 0.05226 0.06673 = 0.13581 -0.00201 -0.00892 -0.01692 C44 1 0.961181 0.844249 0.827352 11.00000 0.20251 0.08788 = 0.24486 -0.03942 0.17428 -0.05364 AFIX 137 H44A 2 1.002297 0.880363 0.831240 11.00000 -1.50000 H44B 2 0.918400 0.850010 0.784043 11.00000 -1.50000 H44C 2 0.989971 0.801787 0.825354 11.00000 -1.50000 AFIX 0 C45 1 0.789766 0.921870 0.845636 11.00000 0.10212 0.05410 = 0.19189 0.01066 -0.00204 -0.02312 AFIX 137 H45A 2 0.731884 0.922714 0.853948 11.00000 -1.50000 H45B 2 0.789820 0.904968 0.797793 11.00000 -1.50000 H45C 2 0.813064 0.966815 0.850054 11.00000 -1.50000 AFIX 0 C46 1 0.770200 0.893491 1.007757 11.00000 0.16163 0.10069 = 0.24141 -0.07040 0.12633 -0.05020 AFIX 137 H46A 2 0.770193 0.870326 1.052614 11.00000 -1.50000 H46B 2 0.714797 0.888854 0.976678 11.00000 -1.50000 H46C 2 0.782404 0.940530 1.017263 11.00000 -1.50000 AFIX 0 C47 1 0.931823 0.808010 1.081527 11.00000 0.26584 0.16369 = 0.12298 -0.00381 -0.03656 -0.08771 AFIX 137 H47A 2 0.936470 0.846893 1.112594 11.00000 -1.50000 H47B 2 0.985788 0.784424 1.089513 11.00000 -1.50000 H47C 2 0.887789 0.778503 1.092156 11.00000 -1.50000 AFIX 0 C48 1 1.044573 0.789468 0.965083 11.00000 0.05646 0.09980 = 0.31726 0.01798 -0.02176 -0.01676 AFIX 137 H48A 2 1.088363 0.822993 0.979485 11.00000 -1.50000 H48B 2 1.051585 0.769393 0.920117 11.00000 -1.50000 H48C 2 1.049408 0.755144 1.001743 11.00000 -1.50000 AFIX 0 PART -1 C49 1 0.735947 0.035039 0.398459 10.50000 0.16584 0.09060 = 0.19800 -0.00317 0.08383 0.00644 AFIX 137 H49A 2 0.752829 0.077723 0.381328 10.50000 -1.50000 H49B 2 0.759749 -0.000970 0.374344 10.50000 -1.50000 H49C 2 0.756873 0.031710 0.449781 10.50000 -1.50000 AFIX 0 C50 1 0.640373 0.029848 0.382827 10.50000 0.12882 0.13100 = 0.11001 -0.04921 -0.02096 0.03033 AFIX 13 H50 2 0.622943 -0.007454 0.348889 10.50000 -1.20000 AFIX 0 C51 1 0.616014 0.014082 0.451525 10.50000 0.15774 0.17516 = 0.19232 0.01812 0.04327 0.00108 AFIX 23 H51A 2 0.638365 -0.031048 0.463237 10.50000 -1.20000 H51B 2 0.651078 0.043867 0.486205 10.50000 -1.20000 AFIX 0 C52 1 0.534193 0.014138 0.471947 10.50000 0.15673 0.13824 = 0.13243 0.01944 -0.00582 -0.00690 AFIX 23 H52A 2 0.540128 0.027102 0.522408 10.50000 -1.20000 H52B 2 0.496209 0.046187 0.442557 10.50000 -1.20000 AFIX 0 C53 1 0.501504 -0.048777 0.461820 10.50000 0.20046 0.08344 = 0.07357 -0.01012 0.03088 -0.00009 AFIX 137 H53A 2 0.491175 -0.059609 0.411109 10.50000 -1.50000 H53B 2 0.448373 -0.051022 0.479048 10.50000 -1.50000 H53C 2 0.541669 -0.080533 0.488088 10.50000 -1.50000 AFIX 0 C54 1 0.605828 0.091771 0.350034 10.50000 0.18051 0.16604 = 0.09459 -0.04034 0.03203 -0.06657 AFIX 137 H54A 2 0.566863 0.082088 0.305389 10.50000 -1.50000 H54B 2 0.651842 0.119742 0.340420 10.50000 -1.50000 H54C 2 0.575610 0.115012 0.382301 10.50000 -1.50000 AFIX 0 HKLF 4 REM ga-200107c_a.res in P2(1)/c REM R1 = 0.0639 for 10251 Fo > 4sig(Fo) and 0.0731 for all 12376 data REM 662 parameters refined using 111 restraints END WGHT 0.1253 18.2237 REM Highest difference peak 4.660, deepest hole -1.690, 1-sigma level 0.207 Q1 1 0.3913 0.7064 0.6425 11.00000 0.05 4.66 Q2 1 0.7702 0.7793 0.8935 11.00000 0.05 2.71 Q3 1 0.8166 0.7485 0.8733 11.00000 0.05 2.66 Q4 1 0.4036 0.6666 0.6043 11.00000 0.05 2.11 Q5 1 0.8982 0.7725 0.9200 11.00000 0.05 2.02 Q6 1 0.4974 0.6696 0.6548 11.00000 0.05 2.00 Q7 1 0.6794 0.0622 0.3516 11.00000 0.05 1.29 Q8 1 0.6393 0.0671 0.3643 11.00000 0.05 1.22 Q9 1 0.8212 0.7420 0.9386 11.00000 0.05 1.19 Q10 1 0.5842 0.0391 0.3490 11.00000 0.05 1.09 Q11 1 0.8639 0.8213 0.9605 11.00000 0.05 1.08 Q12 1 0.4275 0.7803 0.6530 11.00000 0.05 1.00 Q13 1 0.4639 0.5817 0.5801 11.00000 0.05 0.98 Q14 1 0.9160 0.5480 0.7057 11.00000 0.05 0.93 Q15 1 0.9807 0.5098 0.7152 11.00000 0.05 0.91 Q16 1 0.5757 0.0169 0.4380 11.00000 0.05 0.91 Q17 1 0.6047 0.0306 0.4594 11.00000 0.05 0.89 Q18 1 0.9381 0.7747 0.9641 11.00000 0.05 0.88 Q19 1 0.3213 0.6804 0.6027 11.00000 0.05 0.87 Q20 1 0.8199 0.8496 1.0666 11.00000 0.05 0.86 ; _shelx_res_checksum 60829 _shelx_hkl_file ; -2 0 0 7.40 1.50 2 0 0 6.10 1.20 -3 0 0 1247.58 89.29 3 0 0 1001.60 89.29 -4 0 0 2956.60 236.78 -4 0 0 2814.92 243.38 5 0 0 1632.64 127.59 5 0 0 1596.64 128.49 6 0 0 60.79 5.10 6 0 0 61.79 6.70 7 0 0 2438.96 184.08 7 0 0 2219.18 185.38 -8 0 0 1456.25 100.49 8 0 0 1059.49 99.19 9 0 0 309.57 28.10 -9 0 0 401.46 29.50 10 0 0 305.17 26.70 -10 0 0 365.86 28.20 11 0 0 23.40 2.50 11 0 0 15.30 2.90 12 0 0 492.65 36.70 12 0 0 427.36 37.20 13 0 0 3.70 1.10 13 0 0 6.50 1.50 -14 0 0 1.10 1.40 14 0 0 2.30 1.50 -15 0 0 426.36 32.80 15 0 0 390.46 32.90 -16 0 0 3.90 1.50 -17 0 0 7.10 1.90 18 0 0 49.80 5.50 19 0 0 81.79 7.00 19 0 0 69.99 6.60 -1 -1 0 613.84 48.50 -2 -1 0 7688.73 598.24 -2 1 0 7261.47 593.84 -3 -1 0 2424.06 209.08 -3 1 0 2560.04 203.28 -4 -1 0 7.90 2.10 -4 1 0 6.50 1.60 -5 -1 0 2115.49 149.19 5 -1 0 1651.13 149.19 5 1 0 1960.40 148.49 5 1 0 1791.12 149.39 6 -1 0 22.00 4.20 6 1 0 30.30 2.50 6 1 0 25.50 4.50 7 -1 0 935.71 69.99 7 -1 0 782.52 70.99 7 1 0 938.51 69.99 7 1 0 875.91 71.39 -8 -1 0 136.39 11.30 8 -1 0 109.19 9.80 8 1 0 105.59 9.80 -8 1 0 139.39 11.30 9 -1 0 191.98 16.70 9 1 0 197.78 16.70 -9 1 0 237.18 18.20 10 -1 0 1288.57 109.09 10 1 0 1283.57 109.09 -10 1 0 1568.24 110.59 -11 -1 0 13.30 3.20 11 -1 0 8.10 2.00 11 -1 0 6.30 1.20 11 1 0 7.10 1.40 11 1 0 6.20 1.60 12 -1 0 2.00 1.20 12 -1 0 3.00 1.70 -12 1 0 2.30 1.10 12 1 0 2.30 1.20 12 1 0 2.40 1.30 13 -1 0 152.08 12.50 13 1 0 150.28 12.60 -13 1 0 151.18 12.50 -14 -1 0 171.58 13.80 14 -1 0 162.88 13.90 -14 1 0 171.08 13.80 14 1 0 163.88 13.90 15 -1 0 10.20 2.10 -15 -1 0 14.00 2.10 -15 1 0 14.00 2.10 15 1 0 11.60 2.00 16 -1 0 11.30 2.10 -16 -1 0 10.20 1.90 -16 1 0 11.30 1.90 -17 -1 0 283.87 24.00 17 1 0 328.77 24.40 -17 1 0 281.37 24.00 18 -1 0 43.80 4.80 18 1 0 37.70 4.40 18 1 0 47.50 5.00 19 -1 0 6.40 1.90 19 -1 0 5.40 1.50 19 1 0 6.50 2.00 19 1 0 5.30 1.60 0 2 0 -0.10 0.40 -1 -2 0 367.26 28.10 -1 -2 0 338.57 27.90 1 2 0 387.46 28.20 1 2 0 317.77 27.90 -2 -2 0 168.08 13.40 2 2 0 151.38 12.90 2 2 0 169.68 13.40 -3 -2 0 3848.21 308.07 3 -2 0 3371.36 300.57 3 2 0 4027.10 306.97 -3 2 0 3734.13 301.67 -4 -2 0 1735.53 145.79 4 2 0 1942.81 146.09 5 -2 0 325.07 26.40 5 -2 0 344.17 27.20 5 2 0 333.47 26.40 5 2 0 328.27 27.50 -6 -2 0 132.69 13.10 6 -2 0 168.08 12.10 6 -2 0 129.69 13.10 6 2 0 147.99 13.60 6 2 0 170.28 12.10 7 -2 0 1255.27 97.79 -7 -2 0 1400.86 98.89 7 2 0 1231.98 97.79 7 2 0 1056.59 99.09 8 -2 0 360.86 29.40 8 2 0 379.16 29.50 9 -2 0 335.67 27.30 9 2 0 349.47 27.30 10 -2 0 178.18 14.00 10 2 0 160.18 14.20 10 2 0 179.98 14.00 11 -2 0 77.09 6.40 11 -2 0 60.49 7.10 11 2 0 76.19 6.30 -11 2 0 77.89 6.30 12 -2 0 225.18 20.50 12 -2 0 264.87 20.20 -12 2 0 261.97 19.70 12 2 0 227.88 19.80 13 -2 0 4.00 2.30 13 -2 0 4.60 1.40 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37.60 -9 -3 0 3.20 2.40 9 -3 0 2.60 1.10 -9 3 0 2.50 1.00 9 3 0 2.40 0.90 10 -3 0 367.06 30.10 10 -3 0 381.96 29.20 10 3 0 317.07 29.30 -10 3 0 371.06 29.20 10 3 0 394.86 29.30 -11 -3 0 186.88 15.10 11 -3 0 155.48 12.80 11 -3 0 150.48 13.80 -11 3 0 151.18 12.80 11 3 0 146.09 12.80 -12 3 0 2.50 1.30 12 3 0 -0.40 1.30 13 -3 0 164.28 13.20 13 -3 0 135.69 14.10 13 3 0 166.08 13.20 -13 3 0 171.18 13.20 14 -3 0 123.39 10.50 14 3 0 118.79 10.50 -14 3 0 126.89 10.40 15 -3 0 2.00 1.50 -15 3 0 -1.80 1.70 -16 -3 0 52.89 5.00 16 -3 0 49.90 5.20 -16 3 0 47.00 5.10 -17 -3 0 97.39 9.00 17 3 0 100.39 8.80 17 3 0 95.19 8.40 -17 3 0 95.39 8.50 18 -3 0 10.80 2.20 18 3 0 10.50 2.40 18 3 0 7.50 1.80 19 -3 0 16.80 2.80 19 -3 0 13.90 1.90 19 3 0 18.50 3.00 19 3 0 11.20 2.00 0 -4 0 842.42 66.89 -1 -4 0 58.49 4.70 -1 -4 0 54.59 5.20 1 4 0 51.59 5.10 -2 -4 0 17.20 2.70 -2 -4 0 15.00 1.60 2 4 0 12.30 2.50 -3 -4 0 8.00 1.10 -3 -4 0 7.90 2.00 3 4 0 9.40 1.00 3 4 0 12.80 2.30 -4 -4 0 71.89 6.60 4 4 0 62.19 6.30 4 4 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2.20 -12 5 0 14.40 1.90 13 -5 0 180.38 14.10 13 -5 0 150.98 15.40 -13 5 0 176.58 14.10 14 -5 0 37.20 5.80 14 -5 0 38.20 4.30 -14 5 0 42.20 4.40 15 -5 0 27.80 3.80 15 -5 0 26.30 5.30 15 5 0 25.20 4.00 -15 5 0 30.60 3.70 16 -5 0 104.69 9.80 -16 5 0 110.19 9.80 16 5 0 120.69 10.10 16 5 0 116.59 9.70 17 5 0 9.30 1.80 17 5 0 9.90 2.30 -17 5 0 9.50 2.30 18 -5 0 8.80 2.00 18 5 0 4.90 1.70 18 5 0 7.40 2.20 18 5 0 7.60 2.90 19 5 0 30.20 3.50 19 5 0 34.00 4.00 0 -6 0 319.37 25.30 0 -6 0 311.37 25.80 -1 -6 0 743.53 58.29 1 -6 0 759.42 58.49 -1 -6 0 700.03 58.69 -2 -6 0 2810.52 222.98 -2 -6 0 2856.21 223.58 2 6 0 2798.52 223.58 -3 -6 0 624.94 47.80 -3 -6 0 593.54 47.00 3 6 0 558.94 47.70 -4 -6 0 13.50 1.40 -4 -6 0 7.80 2.20 4 6 0 12.70 2.60 -5 -6 0 13.10 3.10 5 -6 0 15.20 1.50 5 6 0 14.60 1.40 5 6 0 13.40 2.90 -6 -6 0 1261.77 94.49 6 -6 0 1184.68 93.09 6 6 0 1177.18 94.49 6 6 0 1086.89 93.09 7 -6 0 134.79 9.80 -7 -6 0 117.99 11.70 7 6 0 103.69 9.70 -7 6 0 123.79 10.00 -8 -6 0 187.08 18.00 -8 6 0 222.48 16.40 -8 6 0 199.28 16.60 8 6 0 198.08 16.30 9 -6 0 1163.58 83.49 -9 6 0 1051.89 83.59 9 6 0 998.50 83.49 -9 6 0 1002.40 83.39 10 -6 0 37.60 5.20 10 -6 0 32.50 3.10 -10 -6 0 38.90 6.50 10 6 0 32.00 3.20 -10 6 0 26.80 3.40 -10 6 0 24.20 2.80 11 -6 0 110.99 10.60 11 -6 0 107.39 8.70 -11 6 0 96.69 8.50 -11 6 0 101.79 8.90 11 6 0 102.39 8.80 12 -6 0 -0.20 2.30 12 -6 0 1.00 1.30 -12 6 0 1.60 0.80 -12 6 0 1.70 1.40 13 -6 0 425.06 38.50 13 -6 0 481.75 37.10 -13 6 0 480.55 37.10 14 -6 0 229.78 19.20 -14 6 0 217.88 19.20 14 6 0 242.08 20.50 14 6 0 258.87 20.30 15 -6 0 10.80 2.50 15 -6 0 8.40 3.20 -15 6 0 10.20 2.00 15 6 0 9.40 1.90 15 6 0 9.70 2.40 16 -6 0 34.10 4.50 16 6 0 34.60 4.70 -16 6 0 44.80 4.50 16 6 0 39.80 4.40 17 6 0 3.10 1.60 17 6 0 2.50 1.90 -17 6 0 1.70 1.60 18 -6 0 83.29 7.00 -18 6 0 64.69 7.80 18 6 0 81.29 7.20 18 6 0 78.69 6.90 18 6 0 68.89 7.60 19 -6 0 2.40 1.30 19 -6 0 1.60 1.10 19 6 0 -2.60 1.90 19 6 0 1.60 1.20 19 6 0 1.20 1.60 0 -7 0 1.00 0.90 0 -7 0 1.00 1.40 -1 -7 0 810.82 64.99 1 -7 0 826.62 65.19 -1 -7 0 819.02 65.59 -2 -7 0 186.58 15.50 2 -7 0 180.78 15.10 -2 -7 0 179.08 14.80 -3 -7 0 448.26 35.50 3 -7 0 427.96 35.20 -3 -7 0 449.56 34.70 3 7 0 414.56 35.50 -4 -7 0 2517.55 196.78 -4 -7 0 2569.64 197.78 4 7 0 2384.66 197.78 5 -7 0 179.78 14.60 -5 -7 0 194.78 16.20 5 7 0 174.28 15.90 -6 -7 0 54.29 6.80 6 -7 0 50.69 4.50 6 7 0 56.09 4.60 -7 -7 0 529.65 45.30 7 -7 0 616.24 45.00 7 -7 0 573.44 43.70 -7 7 0 487.35 43.70 -7 7 0 550.24 43.80 8 -7 0 780.12 53.09 -8 -7 0 632.64 54.69 -8 7 0 628.34 53.09 -8 7 0 630.64 52.99 9 -7 0 315.47 22.70 -9 7 0 253.37 22.80 -9 7 0 280.97 22.60 10 -7 0 38.00 5.70 10 -7 0 35.10 3.50 -10 -7 0 30.70 6.70 -10 7 0 36.40 3.40 -10 7 0 35.20 3.90 11 -7 0 670.53 52.59 11 -7 0 686.93 54.09 -11 7 0 611.44 52.49 -11 7 0 679.23 52.69 12 -7 0 35.70 3.60 12 -7 0 30.20 6.00 12 7 0 34.50 3.90 -12 7 0 27.60 3.90 13 -7 0 30.20 6.00 13 -7 0 28.40 3.60 -13 7 0 24.10 3.00 13 7 0 30.10 3.80 -13 7 0 29.30 4.00 13 7 0 30.70 4.20 14 -7 0 45.70 7.80 14 -7 0 58.99 6.00 14 7 0 73.09 6.10 14 7 0 59.49 6.40 -14 7 0 76.59 6.70 15 -7 0 75.39 7.40 15 -7 0 69.49 8.80 15 7 0 80.99 7.40 15 7 0 80.99 7.00 -15 7 0 75.39 7.10 16 -7 0 171.48 14.80 16 7 0 184.28 14.70 16 7 0 157.28 15.40 16 7 0 208.28 15.10 -16 7 0 166.38 14.70 17 -7 0 2.80 1.60 17 7 0 1.00 2.20 -17 7 0 -0.40 1.40 17 7 0 2.70 2.20 17 7 0 2.50 1.80 18 -7 0 18.70 2.80 -18 7 0 12.90 2.90 18 7 0 20.90 3.50 18 7 0 19.40 2.50 18 7 0 21.40 3.70 19 -7 0 16.90 2.10 19 7 0 14.70 2.40 19 7 0 13.90 2.10 0 -8 0 63.69 5.70 0 -8 0 62.59 6.50 -1 -8 0 1030.00 85.19 1 -8 0 1114.79 84.79 -1 -8 0 1051.59 84.59 -2 -8 0 428.76 37.80 2 -8 0 491.35 37.60 -2 -8 0 475.95 37.20 -3 -8 0 97.19 9.60 -3 -8 0 101.29 8.60 3 -8 0 110.79 9.40 4 -8 0 49.80 5.70 -4 -8 0 52.39 6.10 4 8 0 50.49 5.80 5 -8 0 25.00 4.30 -5 -8 0 26.30 4.60 5 -8 0 28.00 2.50 5 8 0 22.10 5.40 6 -8 0 1018.20 84.69 6 -8 0 1100.59 83.59 -6 -8 0 1104.29 85.19 6 8 0 1066.49 83.59 -6 8 0 1127.69 83.69 6 8 0 922.51 83.59 7 -8 0 121.29 9.60 7 -8 0 122.79 11.30 -7 -8 0 119.89 11.80 -7 8 0 108.99 9.80 7 8 0 120.59 9.70 -8 -8 0 138.89 15.00 8 -8 0 178.58 14.80 8 -8 0 174.98 13.00 -8 8 0 159.38 13.20 -8 8 0 143.79 12.90 8 8 0 165.68 13.00 9 -8 0 801.62 59.29 9 -8 0 761.72 57.29 -9 8 0 685.73 57.29 9 8 0 682.13 57.29 -9 8 0 685.03 57.39 -10 8 0 16.80 2.20 10 8 0 14.50 2.10 -10 8 0 19.40 2.60 11 -8 0 67.49 8.40 11 -8 0 69.19 6.10 11 8 0 69.19 6.60 -11 8 0 66.09 6.40 -11 8 0 68.09 6.30 11 8 0 65.99 6.30 12 -8 0 0.50 1.30 12 -8 0 0.70 2.90 -12 8 0 0.90 1.50 12 8 0 2.90 1.90 -12 8 0 1.80 1.00 12 8 0 2.00 1.70 13 -8 0 352.86 33.30 13 -8 0 387.16 30.80 -13 8 0 346.27 30.60 -13 8 0 403.66 30.90 13 8 0 391.26 31.10 13 8 0 420.26 30.90 14 -8 0 109.09 12.60 14 -8 0 124.39 10.60 -14 8 0 128.39 10.70 14 8 0 132.79 11.00 14 8 0 108.99 13.80 14 8 0 133.69 10.70 15 -8 0 1.00 1.60 15 -8 0 8.30 6.00 -15 8 0 0.30 1.60 15 8 0 0.40 2.40 15 8 0 -0.10 1.90 15 8 0 1.40 1.70 16 8 0 33.50 5.10 -16 8 0 39.20 4.20 16 8 0 42.50 4.30 16 8 0 33.70 4.60 17 -8 0 0.80 1.40 17 8 0 2.70 2.20 17 8 0 0.50 1.60 17 8 0 -0.40 1.70 -17 8 0 0.40 1.40 18 8 0 45.30 4.70 18 8 0 48.20 5.10 0 -9 0 0.60 1.20 0 -9 0 0.30 1.80 1 -9 0 48.20 4.70 -1 -9 0 45.20 4.40 -1 -9 0 39.10 5.20 -2 -9 0 15.30 2.40 2 -9 0 16.40 3.20 -2 -9 0 18.90 3.70 3 -9 0 188.88 15.20 -3 -9 0 173.48 14.40 -3 -9 0 167.48 15.40 -4 -9 0 818.02 65.29 -4 -9 0 845.22 66.49 4 -9 0 833.12 66.19 -4 9 0 795.32 65.19 -5 -9 0 1.30 2.20 5 -9 0 0.60 2.40 -5 9 0 1.30 0.80 5 9 0 1.00 0.70 5 9 0 0.00 0.70 -5 9 0 -0.20 0.80 -6 -9 0 44.80 6.20 6 -9 0 45.00 3.90 6 -9 0 45.10 6.00 6 9 0 48.90 4.00 6 9 0 50.69 4.10 6 9 0 36.20 4.00 -6 9 0 50.79 4.30 7 -9 0 94.39 9.60 7 -9 0 96.49 7.50 -7 -9 0 83.39 9.80 -7 9 0 84.69 7.60 -7 9 0 97.59 7.80 7 9 0 81.29 7.70 7 9 0 102.29 7.60 -8 -9 0 251.07 23.60 8 -9 0 295.87 21.60 8 -9 0 316.57 26.00 -8 9 0 287.37 21.80 8 9 0 284.27 21.60 8 9 0 225.78 21.70 -8 9 0 251.87 21.60 8 9 0 256.97 22.10 9 -9 0 129.79 9.20 9 -9 0 132.79 11.70 -9 -9 0 92.09 11.70 -9 9 0 117.19 9.20 -9 9 0 104.59 9.50 9 9 0 96.69 9.50 9 9 0 101.69 9.60 10 -9 0 0.70 1.10 10 -9 0 3.80 3.10 10 9 0 0.20 1.40 -10 9 0 1.80 1.60 10 9 0 3.40 1.90 -10 9 0 1.10 1.00 10 9 0 1.70 1.50 11 -9 0 323.77 25.20 11 -9 0 341.17 27.30 -11 9 0 300.57 25.10 11 9 0 298.47 25.50 11 9 0 301.27 25.30 -11 9 0 320.17 25.40 12 -9 0 -1.80 2.60 12 -9 0 -0.10 1.20 12 9 0 -1.50 2.20 12 9 0 -1.80 1.70 -12 9 0 0.20 1.60 12 9 0 0.50 1.50 -12 9 0 1.40 1.00 13 -9 0 23.10 2.70 13 -9 0 21.30 5.00 13 9 0 29.80 4.80 -13 9 0 25.10 3.80 13 9 0 23.40 3.50 -13 9 0 21.20 2.80 13 9 0 13.20 3.50 14 -9 0 17.80 2.40 14 -9 0 15.00 4.00 -14 9 0 24.20 3.30 14 9 0 13.90 2.60 -14 9 0 15.60 2.60 15 -9 0 35.80 6.50 15 -9 0 42.40 4.30 15 9 0 32.40 4.80 15 9 0 44.90 4.90 15 9 0 42.40 4.50 -15 9 0 35.80 4.50 16 9 0 43.50 4.30 16 9 0 38.00 4.60 -16 9 0 34.90 4.70 -17 9 0 0.00 1.50 17 9 0 -0.80 1.40 17 9 0 0.70 1.80 18 9 0 5.50 1.60 18 9 0 5.50 1.90 0 -10 0 5.50 2.50 -1 -10 0 3.40 2.30 1 -10 0 5.80 2.00 1 -10 0 2.30 2.00 -1 -10 0 4.60 1.60 -1 10 0 4.10 0.90 2 -10 0 56.39 5.70 -2 -10 0 44.90 6.00 -2 -10 0 52.99 5.00 2 10 0 51.49 4.50 -2 10 0 49.40 4.40 -3 -10 0 37.60 3.60 -3 -10 0 33.50 5.50 -3 10 0 31.90 3.20 3 10 0 31.40 3.20 -4 -10 0 7.60 1.30 -4 -10 0 5.80 2.70 4 -10 0 6.00 2.30 4 10 0 4.70 0.80 4 10 0 6.60 1.10 5 -10 0 54.79 6.40 5 -10 0 51.19 4.40 -5 -10 0 57.69 6.50 5 10 0 50.49 4.30 -5 10 0 42.60 4.40 5 10 0 50.99 4.30 -5 10 0 52.09 4.60 -6 -10 0 74.29 8.80 6 -10 0 81.79 6.70 6 -10 0 71.19 8.70 -6 10 0 95.09 7.00 6 10 0 86.09 6.80 6 10 0 65.89 7.30 6 10 0 86.99 6.80 7 -10 0 9.10 1.10 -7 -10 0 10.80 3.50 7 -10 0 10.30 3.70 -7 10 0 6.60 1.50 -7 10 0 5.10 1.10 7 10 0 5.20 1.20 7 10 0 4.40 1.20 8 -10 0 0.00 2.90 8 -10 0 2.10 0.90 -8 -10 0 0.70 2.90 8 10 0 1.40 1.20 8 10 0 0.60 1.00 8 10 0 0.50 1.30 -8 10 0 -2.10 1.20 -8 10 0 -0.20 0.80 9 -10 0 97.69 8.10 9 -10 0 108.09 10.90 -9 10 0 97.69 8.50 9 10 0 94.59 8.30 -9 10 0 86.79 8.20 9 10 0 98.59 8.50 10 -10 0 10.20 1.60 10 -10 0 12.90 3.90 -10 10 0 9.80 1.90 10 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45.10 4.70 8 12 0 53.39 4.70 -8 12 0 52.59 5.20 9 -12 0 21.00 2.50 9 -12 0 13.50 4.50 -9 12 0 16.60 2.70 9 12 0 24.70 3.20 -9 12 0 22.40 2.90 9 12 0 21.50 2.60 10 -12 0 -0.20 3.30 10 12 0 0.30 1.40 -10 12 0 0.20 1.10 -10 12 0 2.30 1.80 10 12 0 0.70 1.50 11 -12 0 1.70 1.20 11 -12 0 -0.20 3.10 -11 12 0 3.30 1.80 11 12 0 4.20 2.00 -11 12 0 3.40 1.30 11 12 0 1.50 1.60 12 -12 0 7.20 3.70 12 -12 0 8.50 1.70 -12 12 0 7.80 1.80 -12 12 0 7.70 2.10 12 12 0 3.90 2.10 12 12 0 3.40 2.00 13 -12 0 29.40 6.00 13 12 0 30.20 4.30 -13 12 0 29.90 3.10 -13 12 0 17.50 2.90 13 12 0 19.10 2.90 14 12 0 31.50 4.40 -14 12 0 37.00 3.80 -14 12 0 32.00 4.30 14 12 0 41.30 4.70 15 12 0 21.50 2.70 15 12 0 17.30 3.00 -15 12 0 15.90 3.20 16 12 0 3.30 1.90 16 12 0 2.10 1.70 -16 12 0 0.00 1.50 17 12 0 -0.20 1.40 17 12 0 1.20 1.80 -17 12 0 1.00 1.70 0 -13 0 -1.50 1.50 0 -13 0 1.00 2.20 0 13 0 -0.50 0.70 0 13 0 -1.50 0.80 1 -13 0 78.69 8.30 1 -13 0 73.69 7.30 -1 -13 0 74.89 6.90 -1 -13 0 79.29 8.50 1 13 0 66.29 5.80 1 13 0 65.89 5.80 -1 13 0 62.29 6.00 -1 13 0 65.09 5.70 1 13 0 64.49 6.00 -1 13 0 72.39 5.90 2 -13 0 93.29 9.60 -2 -13 0 88.19 9.70 -2 -13 0 95.19 8.20 2 -13 0 107.09 9.10 -2 13 0 76.59 7.30 2 13 0 85.49 7.20 2 13 0 71.39 7.20 2 13 0 91.69 7.40 -2 13 0 86.29 7.20 -2 13 0 89.99 7.40 -3 -13 0 252.77 22.40 3 -13 0 297.37 22.10 3 -13 0 245.68 22.40 -3 -13 0 251.97 21.30 -3 13 0 255.87 20.30 3 13 0 233.98 20.20 -3 13 0 251.07 20.40 3 13 0 251.07 20.20 -3 13 0 236.38 20.40 3 13 0 263.37 20.40 -4 -13 0 281.87 25.40 -4 -13 0 270.57 23.40 4 13 0 288.27 23.10 -4 13 0 288.47 23.20 -4 13 0 294.47 23.20 4 13 0 301.97 23.20 -4 13 0 295.27 23.10 4 13 0 287.67 23.10 4 13 0 288.27 23.00 5 -13 0 44.60 6.90 -5 -13 0 30.90 5.90 5 13 0 31.00 3.40 5 13 0 40.70 3.90 5 13 0 40.80 3.50 -5 13 0 41.10 4.70 -5 13 0 40.30 4.80 -6 -13 0 0.80 4.00 6 -13 0 5.30 3.50 -6 13 0 3.10 1.20 6 13 0 4.80 1.10 -6 13 0 6.00 1.70 7 -13 0 1.00 3.40 -7 13 0 0.80 1.20 7 13 0 1.00 1.00 7 13 0 0.60 1.00 -7 13 0 1.30 1.40 8 -13 0 93.29 8.00 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13.90 -6 16 0 131.69 11.10 -6 16 0 119.79 10.80 6 16 0 139.79 10.60 6 16 0 131.39 10.70 6 16 0 124.19 10.50 -7 16 0 35.30 4.60 7 16 0 35.20 3.50 -7 16 0 27.40 4.00 7 16 0 26.50 3.30 8 -16 0 2.80 4.10 -8 16 0 2.70 1.70 8 16 0 0.30 2.30 -8 16 0 0.20 2.00 8 16 0 4.90 1.50 9 -16 0 47.40 9.60 9 16 0 65.99 6.00 -9 16 0 52.99 6.70 9 16 0 68.29 6.00 -9 16 0 64.69 6.10 10 -16 0 5.20 5.00 10 16 0 5.90 1.90 -10 16 0 5.80 1.70 -10 16 0 4.50 2.20 10 16 0 4.40 1.80 11 -16 0 7.40 4.20 -11 16 0 8.70 2.40 11 16 0 12.60 2.60 -11 16 0 14.60 2.20 11 16 0 8.80 2.20 12 16 0 5.70 2.00 -12 16 0 5.00 2.20 12 16 0 14.20 2.60 -12 16 0 9.60 1.90 13 16 0 36.90 4.90 -13 16 0 43.10 4.30 13 16 0 39.00 4.70 -13 16 0 37.70 4.90 14 16 0 16.30 2.70 -14 16 0 11.80 2.40 -14 16 0 13.20 2.00 14 16 0 18.20 2.70 -15 16 0 1.40 1.40 15 16 0 1.10 1.50 -15 16 0 0.60 1.80 15 16 0 2.60 2.20 0 -17 0 1.40 2.30 0 17 0 0.40 1.10 0 17 0 0.10 1.30 0 17 0 0.30 0.80 -1 -17 0 26.20 4.90 1 -17 0 29.80 5.10 1 17 0 29.80 3.50 -1 17 0 34.20 3.90 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10 -4 28.40 4.10 13 -10 -4 8.10 3.80 13 -10 -4 13.10 2.10 -13 10 4 4.30 2.20 13 10 -4 5.90 2.10 12 -10 -4 34.90 4.00 12 -10 -4 39.70 7.00 12 10 -4 33.50 4.30 -12 10 4 31.90 4.90 -12 10 4 33.60 3.70 11 -10 -4 53.59 5.20 -11 10 4 52.69 5.10 -11 10 4 56.49 5.80 11 10 -4 56.79 5.40 10 -10 -4 -0.10 1.20 -10 10 4 -1.10 1.00 -10 10 4 0.10 1.60 10 10 -4 1.50 1.50 9 -10 -4 9.70 1.50 -9 10 4 9.00 1.60 -9 10 4 7.10 2.00 8 -10 -4 78.39 6.70 -8 -10 4 65.79 9.20 -8 10 4 82.69 6.80 -8 10 4 77.69 9.90 8 10 -4 77.99 6.70 -8 10 4 87.39 7.30 7 -10 -4 27.80 2.70 -7 -10 4 29.00 5.30 7 10 -4 30.90 2.80 -7 10 4 25.30 2.90 -7 10 4 30.20 3.40 -7 10 4 20.00 4.00 -6 -10 4 65.89 7.80 6 -10 -4 71.69 5.60 -6 -10 4 69.29 6.40 -6 10 4 82.59 7.40 -6 10 4 53.29 6.10 5 -10 -4 23.10 2.20 -5 -10 4 23.80 4.70 -5 -10 4 23.80 3.50 5 10 -4 27.70 2.90 -5 10 4 21.30 2.60 -5 10 4 28.30 2.70 -5 10 4 33.80 4.40 -5 10 4 24.30 3.00 5 10 -4 21.20 2.30 -5 10 4 27.10 2.90 -4 -10 4 70.69 6.90 -4 -10 4 60.19 7.70 -4 10 4 72.49 6.10 4 10 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11.70 2.60 13 -12 -4 42.90 4.80 13 -12 -4 36.80 7.50 -13 12 4 36.30 5.20 13 12 -4 45.80 4.90 -13 12 4 42.10 4.40 13 12 -4 41.70 5.00 12 -12 -4 53.49 8.70 12 -12 -4 61.79 5.50 -12 12 4 59.89 5.50 -12 12 4 52.69 6.30 12 12 -4 55.99 5.80 11 -12 -4 18.40 2.20 11 -12 -4 9.40 3.80 11 12 -4 18.90 2.80 -11 12 4 21.50 2.90 11 12 -4 11.40 2.30 10 -12 -4 4.00 1.40 10 -12 -4 5.10 3.50 10 12 -4 3.50 1.60 -10 12 4 5.10 1.50 10 12 -4 2.10 1.50 -10 12 4 3.20 1.90 9 -12 -4 3.70 1.20 9 -12 -4 -0.90 3.20 9 12 -4 0.70 1.20 -9 12 4 1.00 1.20 9 12 -4 0.80 1.20 -9 12 4 3.70 1.90 8 -12 -4 26.70 3.00 8 12 -4 31.00 3.10 -8 12 4 30.00 3.40 -8 12 4 31.80 4.00 8 12 -4 26.90 3.10 -8 12 4 26.70 5.50 7 -12 -4 67.49 6.10 -7 12 4 69.29 6.40 7 12 -4 76.39 6.20 -7 12 4 78.19 6.70 7 12 -4 73.49 6.20 6 -12 -4 75.29 6.20 -6 -12 4 73.99 8.90 -6 -12 4 69.19 6.90 6 12 -4 72.19 6.20 6 12 -4 91.79 7.00 6 12 -4 79.89 6.30 -6 12 4 69.89 7.50 -6 12 4 60.09 7.00 -6 12 4 74.59 8.40 -5 -12 4 105.09 11.40 -5 -12 4 102.59 10.00 5 -12 -4 111.29 9.10 5 12 -4 123.49 9.50 5 12 -4 102.39 9.10 -5 12 4 100.49 9.40 -5 12 4 120.19 9.50 -5 12 4 121.89 9.30 -5 12 4 130.89 10.50 -4 -12 4 54.99 5.90 4 -12 -4 48.00 4.30 -4 -12 4 50.59 6.90 -4 12 4 56.69 5.80 4 12 -4 58.09 4.90 -4 12 4 51.99 4.70 -4 12 4 54.49 4.80 -4 12 4 49.99 4.80 4 12 -4 48.90 4.40 -4 12 4 51.59 4.60 3 -12 -4 36.50 5.10 -3 -12 4 30.50 5.50 -3 -12 4 29.40 4.50 -3 12 4 35.70 3.20 -3 12 4 30.20 3.10 -3 12 4 28.70 4.00 3 12 -4 34.60 3.20 3 12 -4 28.20 3.40 -3 12 4 27.40 3.30 -3 12 4 34.50 3.20 2 -12 -4 1.70 1.80 2 -12 -4 0.20 1.90 -2 -12 4 -0.10 1.80 -2 -12 4 -0.30 2.20 2 12 -4 -0.20 0.90 2 12 -4 0.10 1.00 -2 12 4 0.20 0.80 -2 12 4 0.30 0.70 -2 12 4 -0.10 0.70 -2 12 4 1.00 0.80 1 -12 -4 12.10 2.40 1 -12 -4 11.00 2.80 -1 -12 4 7.50 3.00 -1 -12 4 13.30 2.90 -1 12 4 9.80 1.90 -1 12 4 7.20 1.20 1 12 -4 9.60 1.40 -1 12 4 8.70 1.40 1 12 -4 7.50 1.30 -1 12 4 10.50 1.30 -1 12 4 10.30 1.60 0 -12 4 186.48 16.60 0 -12 -4 177.48 15.90 0 -12 -4 192.38 14.90 0 -12 4 194.88 15.50 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13 4 15.90 2.50 16 -13 -4 50.79 5.60 16 13 -4 71.09 6.10 -16 13 4 54.59 6.00 16 13 -4 63.09 5.80 -16 13 4 64.29 5.60 15 -13 -4 35.60 4.40 15 13 -4 36.50 4.50 15 13 -4 40.00 5.10 -15 13 4 38.50 4.10 -15 13 4 36.60 4.90 14 -13 -4 14.60 2.20 14 13 -4 17.80 2.80 -14 13 4 14.60 2.10 14 13 -4 14.60 2.50 -14 13 4 13.40 2.70 13 -13 -4 7.90 1.70 13 -13 -4 8.90 4.30 -13 13 4 7.70 1.60 -13 13 4 5.90 2.30 13 13 -4 9.30 2.10 13 13 -4 7.60 2.20 12 -13 -4 4.90 3.80 12 -13 -4 11.90 1.90 -12 13 4 13.60 2.10 12 13 -4 11.30 2.20 12 13 -4 12.20 2.30 -12 13 4 9.20 2.60 11 -13 -4 32.80 3.60 11 -13 -4 37.60 7.40 -11 13 4 29.60 4.80 11 13 -4 38.30 5.00 -11 13 4 34.60 4.70 11 13 -4 28.40 4.10 10 -13 -4 86.69 6.90 10 -13 -4 83.09 10.50 -10 13 4 78.09 7.80 10 13 -4 63.79 7.20 10 13 -4 82.59 7.20 -10 13 4 84.99 7.20 9 -13 -4 190.78 17.70 9 -13 -4 191.88 15.10 9 13 -4 177.78 14.80 -9 13 4 175.28 15.30 9 13 -4 169.98 14.90 -9 13 4 185.58 15.00 8 -13 -4 43.40 7.70 8 -13 -4 44.00 4.10 8 13 -4 40.90 4.20 -8 13 4 43.70 4.50 8 13 -4 45.60 4.20 -8 13 4 45.60 5.10 7 -13 -4 0.50 0.90 7 -13 -4 3.60 3.60 -7 13 4 2.50 3.90 -7 13 4 1.10 1.20 -7 13 4 -0.20 1.50 7 13 -4 3.00 0.90 6 -13 -4 3.90 0.90 6 -13 -4 1.80 2.90 -6 -13 4 3.30 1.70 -6 13 4 3.80 5.10 -6 13 4 1.40 1.30 6 13 -4 2.30 1.40 -6 13 4 2.90 1.30 6 13 -4 3.20 0.90 5 -13 -4 29.80 2.80 5 -13 -4 29.40 5.50 -5 -13 4 34.90 4.50 -5 13 4 32.50 3.60 5 13 -4 32.10 2.90 -5 13 4 32.30 5.50 5 13 -4 38.60 3.80 -5 13 4 27.80 3.40 -5 13 4 29.70 3.30 -5 13 4 29.00 3.60 4 -13 -4 82.09 11.40 -4 -13 4 90.09 8.70 -4 -13 4 88.69 10.00 4 -13 -4 91.79 9.30 4 -13 -4 86.79 7.30 -4 13 4 84.09 7.50 -4 13 4 81.19 8.60 -4 13 4 86.49 7.80 4 13 -4 102.99 8.00 4 13 -4 95.89 7.40 -4 13 4 88.49 7.70 -4 13 4 102.69 8.00 -3 -13 4 64.69 6.90 3 -13 -4 57.69 5.20 3 -13 -4 77.79 7.60 3 -13 -4 59.89 7.10 -3 -13 4 58.69 8.00 3 13 -4 60.39 5.60 -3 13 4 72.69 6.50 3 13 -4 63.09 5.30 3 13 -4 71.39 5.90 -3 13 4 66.49 5.70 -3 13 4 57.69 5.60 -3 13 4 66.89 5.50 2 -13 -4 331.27 28.50 -2 -13 4 343.97 27.90 -2 -13 4 316.77 29.90 2 -13 -4 377.46 28.10 2 13 -4 347.87 26.90 -2 13 4 335.87 26.90 -2 13 4 351.36 27.20 2 13 -4 309.87 26.80 -2 13 4 343.37 26.80 -2 13 4 324.27 27.20 -2 13 4 311.77 26.80 -1 -13 4 131.29 12.10 1 -13 -4 139.39 11.80 1 -13 -4 137.89 12.70 -1 13 4 128.79 10.90 -1 13 4 127.49 10.80 1 13 -4 132.99 10.80 1 13 -4 130.39 10.90 -1 13 4 131.39 11.20 -1 13 4 131.19 10.80 0 -13 -4 32.90 3.90 0 -13 -4 24.50 4.80 0 -13 4 34.40 5.10 0 13 4 31.80 2.80 0 13 -4 21.60 2.90 0 13 4 32.80 3.60 0 13 4 23.70 2.70 0 13 4 25.90 2.80 0 13 -4 28.30 3.20 0 13 4 27.60 3.00 -1 -13 -4 11.30 3.20 1 -13 4 15.70 3.30 1 -13 4 14.80 4.20 -1 -13 -4 15.20 2.80 1 13 4 12.00 1.60 1 13 4 15.10 2.20 1 13 4 20.00 2.50 1 13 4 15.20 1.90 -1 13 -4 16.20 2.30 1 13 4 11.80 2.00 -1 13 -4 17.30 2.50 -2 -13 -4 1.30 2.20 2 -13 4 2.90 2.70 -2 -13 -4 -0.10 1.10 2 -13 4 1.30 2.70 2 13 4 1.40 0.70 2 13 4 2.50 1.00 2 13 4 2.50 1.00 2 13 4 2.00 1.00 -2 13 -4 2.70 1.30 -2 13 -4 1.70 1.20 2 13 4 3.30 1.50 -3 -13 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13 4 51.49 5.70 10 13 4 57.79 6.50 10 13 4 48.80 6.10 11 -13 4 108.69 13.40 -11 13 -4 135.49 10.00 11 13 4 113.99 10.70 11 13 4 105.29 10.30 -11 13 -4 113.19 10.30 12 -13 4 27.00 5.80 12 13 4 35.30 4.70 12 13 4 37.60 5.00 -12 13 -4 36.00 3.90 -12 13 -4 33.70 4.50 -13 13 -4 19.20 2.80 13 13 4 16.70 2.60 13 13 4 19.80 3.40 14 13 4 10.90 2.40 14 13 4 20.90 3.20 15 13 4 -0.60 1.40 15 13 4 0.10 1.80 16 13 4 5.50 2.10 16 13 4 2.50 1.50 16 14 -4 1.90 1.50 16 14 -4 2.50 1.60 -16 14 4 2.00 1.80 -16 14 4 1.80 1.30 15 -14 -4 -2.70 1.30 -15 14 4 0.00 1.30 15 14 -4 0.70 1.70 15 14 -4 2.30 1.60 -15 14 4 1.10 1.80 14 -14 -4 46.80 4.90 -14 14 4 49.80 5.80 -14 14 4 57.69 5.30 14 14 -4 50.69 5.30 14 14 -4 54.69 6.40 13 -14 -4 54.09 5.40 13 14 -4 53.09 6.00 -13 14 4 65.89 5.70 13 14 -4 57.09 5.80 -13 14 4 62.89 6.40 12 -14 -4 36.90 10.30 -12 14 4 51.59 5.80 12 14 -4 44.20 5.20 12 14 -4 38.30 5.00 -12 14 4 53.99 4.80 11 -14 -4 119.99 13.30 11 -14 -4 125.29 9.90 -11 14 4 111.79 10.70 -11 14 4 136.09 10.10 11 14 -4 105.09 10.40 11 14 -4 106.29 10.20 10 -14 -4 8.60 4.00 10 -14 -4 10.00 1.50 10 14 -4 5.10 1.80 -10 14 4 10.00 2.60 -10 14 4 6.30 2.70 10 14 -4 9.80 1.90 9 -14 -4 7.50 1.40 9 -14 -4 5.80 4.40 -9 14 4 4.90 2.10 9 14 -4 7.90 1.70 9 14 -4 10.60 1.80 -9 14 4 7.40 1.70 8 -14 -4 5.80 4.20 8 -14 -4 4.80 1.20 8 14 -4 5.30 1.30 -8 14 4 5.30 1.90 8 14 -4 5.50 1.20 -8 14 4 3.20 1.40 7 -14 -4 135.99 16.30 7 -14 -4 170.68 13.60 -7 14 4 147.99 16.00 -7 14 4 195.18 14.20 7 14 -4 184.68 13.70 -7 14 4 159.18 13.90 6 -14 -4 231.58 18.00 6 -14 -4 187.68 20.40 -6 -14 4 214.48 18.80 -6 14 4 216.28 19.70 6 14 -4 233.88 18.10 -6 14 4 251.17 18.50 -6 14 4 230.38 18.40 5 -14 -4 31.30 5.60 -5 -14 4 28.10 4.30 5 -14 -4 22.30 4.60 -5 14 4 22.30 6.30 -5 14 4 28.50 3.20 5 14 -4 28.50 2.60 -5 14 4 35.40 3.50 -5 14 4 22.20 3.20 -5 14 4 20.10 3.60 -4 -14 4 266.37 23.20 4 -14 -4 301.37 24.40 -4 14 4 281.57 22.40 4 14 -4 257.57 22.10 4 14 -4 287.57 22.40 -4 14 4 271.47 22.40 -4 14 4 262.97 22.30 -4 14 4 292.17 23.10 3 -14 -4 82.69 9.60 3 -14 -4 108.79 11.80 -3 -14 4 89.79 9.30 -3 14 4 94.99 8.00 -3 14 4 92.79 7.80 -3 14 4 94.49 8.10 -3 14 4 93.69 7.90 -3 14 4 92.19 8.70 3 14 -4 93.39 7.70 3 14 -4 99.29 8.20 2 -14 -4 3.90 2.10 2 -14 -4 3.70 2.30 -2 -14 4 2.80 2.40 -2 -14 4 6.00 5.20 -2 14 4 4.30 1.80 -2 14 4 1.00 1.70 2 14 -4 2.20 1.40 -2 14 4 4.20 1.20 2 14 -4 2.20 1.70 -2 14 4 1.50 1.00 -2 14 4 4.90 1.20 -1 -14 4 2.10 3.40 1 -14 -4 5.80 2.50 1 -14 -4 6.90 2.30 -1 -14 4 6.10 2.60 -1 14 4 6.00 1.20 -1 14 4 5.80 1.20 1 14 -4 8.20 1.90 -1 14 4 5.40 1.30 -1 14 4 7.00 1.80 -1 14 4 6.40 1.20 0 -14 -4 188.68 15.30 0 -14 -4 164.88 16.40 0 -14 4 192.18 16.30 0 -14 4 165.18 17.50 0 14 4 155.68 14.30 0 14 4 191.78 14.40 0 14 4 193.68 14.90 0 14 4 154.78 14.40 0 14 4 204.88 14.60 0 14 -4 166.68 14.70 -1 -14 -4 574.64 49.60 -1 -14 -4 591.34 48.20 1 -14 4 629.34 49.20 -1 14 -4 574.94 47.70 -1 14 -4 641.84 47.90 1 14 4 585.14 47.70 1 14 4 620.34 47.70 1 14 4 567.34 47.60 1 14 4 586.24 47.90 1 14 4 631.24 47.90 -2 -14 -4 214.48 18.60 2 -14 4 242.78 20.20 -2 -14 -4 216.88 20.20 2 14 4 208.78 18.10 -2 14 -4 237.08 18.30 2 14 4 219.78 18.30 2 14 4 233.38 18.50 2 14 4 234.28 18.30 2 14 4 239.58 18.20 -2 14 -4 213.48 18.30 3 -14 4 138.99 13.00 3 14 4 129.99 10.40 3 14 4 132.19 10.30 -3 14 -4 132.59 10.60 -3 14 -4 121.29 10.50 3 14 4 118.29 10.20 3 14 4 111.49 10.40 3 14 4 124.79 10.70 4 -14 4 52.79 8.30 -4 -14 -4 45.20 7.30 -4 14 -4 57.89 5.20 4 14 4 64.39 4.90 4 14 4 47.50 5.30 4 14 4 46.60 5.10 -4 14 -4 50.89 5.30 4 14 4 58.29 4.70 5 -14 4 18.50 4.90 5 14 4 21.90 2.50 -5 14 -4 16.30 2.30 -5 14 -4 15.80 2.30 5 14 4 16.30 2.60 5 14 4 12.30 1.80 5 14 4 19.20 2.50 6 -14 4 17.90 5.10 6 14 4 21.20 2.90 -6 14 -4 21.40 3.20 6 14 4 18.10 2.80 -6 14 -4 21.10 2.80 6 14 4 19.40 2.70 -7 14 -4 110.49 9.10 7 14 4 95.39 8.70 7 14 4 96.29 9.00 -7 14 -4 92.79 8.70 7 14 4 105.39 8.60 8 -14 4 82.69 12.30 -8 14 -4 105.89 8.80 8 14 4 95.99 9.00 -8 14 -4 98.19 9.00 8 14 4 104.89 8.70 9 -14 4 91.69 12.90 -9 14 -4 97.79 10.70 9 14 4 123.09 10.70 9 14 4 105.09 9.20 10 -14 4 8.60 4.40 10 14 4 5.50 2.40 10 14 4 7.10 1.80 -10 14 -4 6.50 1.70 -10 14 -4 14.00 2.40 11 -14 4 12.00 4.70 -11 14 -4 5.20 1.70 11 14 4 7.00 1.90 11 14 4 4.20 2.40 -11 14 -4 6.80 2.10 12 14 4 -0.50 2.10 12 14 4 0.00 1.70 -12 14 -4 0.40 1.70 -12 14 -4 0.20 1.30 13 14 4 53.89 6.10 -13 14 -4 40.90 4.70 13 14 4 43.70 6.80 14 14 4 12.70 2.30 14 14 4 15.40 2.80 15 14 4 19.60 3.20 15 14 4 18.30 2.50 -16 15 4 31.10 4.10 -16 15 4 33.40 3.50 16 15 -4 33.10 3.70 16 15 -4 32.70 3.70 15 15 -4 13.60 2.20 -15 15 4 14.70 2.50 15 15 -4 13.20 2.30 -15 15 4 13.30 1.90 -14 15 4 6.40 1.60 14 15 -4 7.60 2.00 14 15 -4 7.90 2.00 -14 15 4 5.40 2.10 -13 15 4 10.50 1.90 13 15 -4 9.60 2.20 -13 15 4 12.00 2.50 13 15 -4 13.50 2.40 12 -15 -4 4.80 3.80 -12 15 4 2.60 2.20 -12 15 4 8.20 1.70 12 15 -4 3.00 1.80 12 15 -4 7.50 2.00 11 -15 -4 33.80 6.50 11 15 -4 24.20 3.00 11 15 -4 15.30 2.70 -11 15 4 24.10 3.50 -11 15 4 23.30 3.30 10 -15 -4 7.30 3.90 10 15 -4 5.70 1.70 -10 15 4 7.00 1.70 10 15 -4 8.70 1.80 -10 15 4 9.00 2.60 9 -15 -4 167.38 18.50 -9 15 4 224.58 16.60 -9 15 4 184.78 16.20 9 15 -4 184.48 15.60 8 -15 -4 77.89 11.40 -8 15 4 92.89 8.40 -8 15 4 105.49 8.90 8 15 -4 95.79 8.00 7 -15 -4 16.80 5.50 -7 15 4 14.00 2.50 7 15 -4 17.60 2.30 -7 15 4 16.10 2.20 6 -15 -4 29.40 6.40 -6 15 4 31.30 4.10 -6 15 4 27.50 5.40 6 15 -4 33.20 4.20 -6 15 4 34.90 3.90 6 15 -4 26.50 3.00 -5 -15 4 16.40 3.30 5 -15 -4 14.00 4.20 -5 15 4 17.50 2.30 5 15 -4 19.20 2.40 -5 15 4 17.10 4.10 -5 15 4 19.70 3.00 5 15 -4 22.00 2.20 -5 15 4 16.10 2.20 -4 -15 4 132.39 12.60 4 -15 -4 142.49 13.70 -4 15 4 136.19 11.50 4 15 -4 149.79 11.60 4 15 -4 136.99 11.10 -4 15 4 135.19 11.50 -4 15 4 141.59 13.40 -4 15 4 133.19 11.30 -4 15 4 129.99 11.50 3 -15 -4 31.30 5.90 3 -15 -4 44.10 6.40 -3 15 4 41.30 4.10 -3 15 4 48.20 5.60 3 15 -4 48.20 3.80 -3 15 4 35.30 4.20 -3 15 4 37.50 4.10 3 15 -4 48.60 4.60 -3 15 4 46.00 4.40 2 -15 -4 188.58 15.50 -2 -15 4 167.78 15.40 2 -15 -4 144.29 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8.50 1.60 -5 12 6 8.80 1.50 -5 12 6 6.80 2.40 5 12 -6 6.70 1.00 -4 -12 6 8.40 2.80 4 -12 -6 4.90 2.10 -4 -12 6 7.10 3.00 -4 12 6 4.70 1.50 -4 12 6 11.20 1.50 -4 12 6 9.60 1.50 -4 12 6 7.20 1.40 4 12 -6 7.50 1.50 -3 -12 6 100.29 9.50 -3 -12 6 82.29 13.50 3 -12 -6 97.59 12.00 3 12 -6 98.49 8.10 -3 12 6 100.89 7.90 -3 12 6 95.19 8.00 -3 12 6 85.39 7.90 -3 12 6 98.09 8.70 -3 12 6 88.99 7.90 2 -12 -6 118.59 11.50 -2 -12 6 132.09 11.80 -2 -12 6 123.99 12.70 2 12 -6 128.59 10.30 -2 12 6 112.99 10.10 -2 12 6 116.09 10.30 -2 12 6 118.99 10.20 -2 12 6 137.89 10.90 -2 12 6 130.49 10.20 -1 -12 6 267.47 21.50 1 -12 -6 238.78 21.30 -1 -12 6 250.77 22.40 1 12 -6 251.57 20.10 -1 12 6 262.17 20.00 1 12 -6 236.78 20.10 -1 12 6 226.88 19.90 -1 12 6 256.87 20.10 -1 12 6 275.57 20.50 -1 12 6 232.98 20.10 0 -12 6 91.99 9.50 0 -12 6 92.29 8.70 0 -12 -6 79.49 8.20 0 -12 -6 77.69 7.40 0 12 6 78.29 7.40 0 12 6 81.79 6.90 0 12 6 68.19 6.70 0 12 -6 75.19 6.90 0 12 -6 80.29 6.80 0 12 6 84.49 6.70 0 12 6 76.59 6.60 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6 17.00 2.90 14 13 -6 11.00 2.40 -14 13 6 16.40 2.20 13 -13 -6 61.59 5.80 13 13 -6 64.59 6.20 13 13 -6 60.09 6.00 -13 13 6 64.99 5.90 -13 13 6 53.39 6.70 12 -13 -6 112.29 9.00 12 -13 -6 89.79 11.80 -12 13 6 116.49 9.10 12 13 -6 89.49 9.10 12 13 -6 108.59 9.40 -12 13 6 104.29 9.80 11 -13 -6 77.79 6.60 11 -13 -6 72.49 9.80 -11 13 6 78.79 6.70 11 13 -6 62.49 6.70 -11 13 6 71.49 7.60 10 -13 -6 34.60 4.00 10 13 -6 38.10 4.10 -10 13 6 34.50 5.20 10 13 -6 34.90 4.10 -10 13 6 46.50 4.40 9 -13 -6 3.10 1.40 9 13 -6 3.80 1.30 -9 13 6 5.30 5.30 -9 13 6 3.60 1.50 -9 13 6 5.20 2.20 9 13 -6 3.20 1.30 8 -13 -6 44.10 4.50 -8 13 6 48.70 5.00 -8 13 6 49.90 7.40 -8 13 6 47.00 5.40 8 13 -6 54.29 4.50 7 -13 -6 75.19 6.40 -7 13 6 85.99 7.20 7 13 -6 71.59 6.30 -7 13 6 66.59 6.80 -7 13 6 85.19 9.60 6 -13 -6 211.68 16.60 -6 -13 6 197.18 17.80 -6 13 6 217.78 16.80 -6 13 6 193.78 17.10 -6 13 6 235.58 18.20 -6 13 6 187.38 16.90 6 13 -6 190.68 16.50 -6 13 6 228.28 17.00 5 -13 -6 255.17 20.30 -5 -13 6 254.57 21.70 5 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9.70 3.20 12 14 7 5.00 2.10 13 14 7 31.00 5.10 13 14 7 22.40 3.20 13 14 7 32.80 4.60 14 14 7 34.40 4.50 14 14 7 28.70 3.90 -16 15 7 50.19 4.60 16 15 -7 39.90 4.30 -16 15 7 43.70 5.00 -15 15 7 4.60 2.10 15 15 -7 4.70 1.50 -15 15 7 5.30 1.50 14 -15 -7 -2.50 1.30 -14 15 7 -1.00 2.00 14 15 -7 0.60 1.40 -14 15 7 0.00 1.30 13 -15 -7 103.69 9.30 -13 15 7 106.09 10.20 -13 15 7 120.59 9.60 12 -15 -7 12.00 1.90 -12 15 7 14.20 2.90 -12 15 7 10.20 1.90 12 15 -7 9.20 1.80 11 -15 -7 3.40 1.40 11 -15 -7 2.60 3.20 11 15 -7 3.00 1.40 -11 15 7 2.50 1.60 -11 15 7 2.30 2.30 10 -15 -7 91.49 7.70 10 -15 -7 76.59 10.60 -10 15 7 107.09 8.10 10 15 -7 80.59 7.60 -10 15 7 87.79 8.70 9 -15 -7 74.39 7.20 9 -15 -7 77.29 10.20 -9 15 7 91.29 8.30 -9 15 7 100.29 7.70 9 15 -7 77.09 7.10 8 -15 -7 5.10 3.90 8 -15 -7 9.40 1.50 -8 15 7 9.80 2.30 -8 15 7 11.20 3.30 -8 15 7 6.00 6.00 7 -15 -7 36.10 3.50 7 -15 -7 26.90 5.80 -7 15 7 47.30 6.70 -7 15 7 39.40 4.30 -6 -15 7 107.79 12.10 6 -15 -7 130.49 10.80 -6 15 7 130.79 11.00 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15 7 15.80 2.70 1 15 7 17.60 2.20 -1 15 -7 18.60 2.50 1 15 7 17.10 2.90 -1 15 -7 15.80 2.40 1 15 7 18.00 2.20 1 15 7 16.80 2.30 2 -15 7 146.89 14.90 2 15 7 150.68 12.10 2 15 7 137.89 12.70 2 15 7 142.59 11.90 -2 15 -7 149.88 12.30 2 15 7 137.29 12.00 2 15 7 145.99 12.20 -2 15 -7 161.08 12.40 3 -15 7 13.60 4.10 3 15 7 21.00 2.50 -3 15 -7 15.10 2.30 3 15 7 17.20 2.30 3 15 7 17.00 2.80 3 15 7 12.20 2.10 -3 15 -7 14.40 2.30 4 -15 7 1.90 4.80 -4 15 -7 1.00 1.70 4 15 7 1.30 1.40 4 15 7 2.00 1.10 4 15 7 3.90 2.10 -4 15 -7 2.40 1.60 4 15 7 3.40 1.00 5 -15 7 43.70 8.20 -5 15 -7 43.40 5.10 5 15 7 40.20 5.50 5 15 7 50.69 4.60 5 15 7 50.09 4.90 -5 15 -7 47.30 5.30 6 -15 7 117.09 16.00 6 15 7 159.18 12.40 -6 15 -7 148.09 13.30 6 15 7 143.59 14.30 6 15 7 150.08 13.20 -6 15 -7 157.68 12.70 7 -15 7 7.20 4.80 -7 15 -7 8.70 2.00 -7 15 -7 5.90 2.10 7 15 7 8.90 2.20 7 15 7 6.30 2.90 7 15 7 7.30 1.90 8 -15 7 9.10 4.40 8 15 7 2.80 2.10 -8 15 -7 7.50 1.90 8 15 7 4.50 1.70 -8 15 -7 2.70 1.90 8 15 7 8.10 2.90 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122.69 10.10 1 16 7 128.09 10.20 2 -16 7 3.30 5.40 -2 16 -7 0.90 1.60 -2 16 -7 -0.40 1.60 2 16 7 1.70 2.00 2 16 7 2.00 1.40 2 16 7 2.90 1.30 2 16 7 1.00 0.90 2 16 7 1.30 1.30 3 -16 7 16.20 5.30 3 16 7 19.70 2.60 3 16 7 14.90 2.00 -3 16 -7 14.60 2.40 -3 16 -7 13.30 2.30 3 16 7 12.60 2.00 3 16 7 17.30 3.00 4 -16 7 258.67 24.50 4 16 7 260.17 21.40 -4 16 -7 279.57 21.50 4 16 7 290.27 22.10 4 16 7 255.97 21.70 4 16 7 235.88 21.00 5 -16 7 1.10 4.20 -5 16 -7 3.70 1.90 5 16 7 4.30 1.70 5 16 7 4.60 2.30 5 16 7 2.30 1.40 -5 16 -7 -0.20 1.80 6 -16 7 9.30 5.10 6 16 7 1.40 2.20 6 16 7 4.40 1.70 -6 16 -7 5.20 2.00 6 16 7 4.30 1.80 -6 16 -7 4.10 2.00 -7 16 -7 105.59 9.80 7 16 7 113.39 9.90 7 16 7 97.79 10.20 7 16 7 121.59 9.60 8 -16 7 8.60 5.50 8 16 7 14.20 2.30 -8 16 -7 20.60 2.70 8 16 7 17.70 2.90 9 16 7 57.69 6.30 -9 16 -7 54.99 5.80 9 16 7 52.99 5.80 10 16 7 0.90 1.80 -10 16 -7 3.40 1.70 10 16 7 2.70 2.80 11 16 7 41.50 4.90 11 16 7 43.80 5.50 12 16 7 38.20 4.80 12 16 7 29.60 4.30 13 16 7 4.30 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10 2 9 30.20 4.20 10 2 9 41.50 6.20 10 2 9 29.10 3.50 11 -2 9 8.80 2.10 11 2 9 8.60 1.70 11 2 9 5.60 2.10 -11 2 -9 7.60 2.00 11 2 9 3.70 4.00 12 -2 9 6.80 2.10 12 2 9 7.60 3.50 12 2 9 6.90 2.20 12 2 9 9.00 1.90 -12 2 -9 10.50 2.10 -13 -2 -9 25.50 3.60 13 -2 9 21.90 3.10 13 2 9 21.90 3.30 13 2 9 15.50 2.40 -13 2 -9 20.40 2.80 13 2 9 23.20 4.90 14 -2 9 6.70 3.80 -14 -2 -9 5.30 2.10 14 -2 9 5.70 2.10 -14 2 -9 6.10 1.70 14 2 9 6.90 2.20 14 2 9 5.70 3.40 14 2 9 2.90 1.50 -15 -2 -9 33.60 4.20 15 -2 9 36.40 4.20 15 -2 9 38.60 6.00 15 2 9 32.90 3.70 15 2 9 27.80 4.90 15 2 9 44.80 4.50 16 -2 9 10.70 2.90 16 -2 9 5.70 3.40 -16 -2 -9 6.50 1.90 16 2 9 5.70 3.40 16 2 9 8.50 2.30 19 -3 -9 10.90 2.10 -19 -3 9 6.10 2.10 -19 3 9 5.90 2.00 19 3 -9 10.30 2.10 18 -3 -9 3.00 1.80 18 3 -9 3.80 2.10 -18 3 9 2.00 1.90 17 -3 -9 119.79 10.60 -17 3 9 121.19 10.80 -17 3 9 124.99 10.50 17 3 -9 128.29 10.60 16 -3 -9 24.80 2.90 -16 -3 9 17.70 2.50 16 3 -9 20.60 2.80 -16 3 9 15.90 2.70 -16 3 9 20.80 2.80 -15 -3 9 98.59 8.70 15 -3 -9 105.69 9.10 15 3 -9 98.49 9.00 -15 3 9 107.29 8.80 -15 3 9 101.59 9.20 14 -3 -9 132.49 11.70 -14 -3 9 134.09 11.60 -14 3 9 138.39 11.50 -14 3 9 152.08 12.90 14 3 -9 140.09 11.70 13 -3 -9 2.50 1.70 -13 -3 9 2.90 1.60 -13 3 9 3.10 1.40 13 3 -9 2.40 1.50 12 -3 -9 0.30 1.50 12 3 -9 3.10 1.60 -12 3 9 2.80 1.30 11 -3 -9 37.00 3.40 -11 -3 9 27.70 5.60 11 3 -9 25.90 3.40 -11 3 9 30.30 3.50 10 -3 -9 252.07 18.50 -10 -3 9 212.28 20.00 -10 3 9 208.18 20.10 10 3 -9 239.28 18.50 9 -3 -9 296.47 23.60 9 3 -9 303.77 23.70 -9 3 9 296.67 24.80 -9 3 9 287.37 23.80 8 -3 -9 144.89 14.80 -8 3 9 159.88 13.60 8 3 -9 171.18 13.40 -8 3 9 188.88 14.50 7 -3 -9 209.28 18.60 7 3 -9 178.98 20.10 -7 3 9 239.08 18.20 7 3 -9 251.27 17.80 -7 3 9 206.28 17.70 -7 3 9 224.88 18.10 6 -3 -9 3.50 1.50 -6 -3 9 3.50 2.10 6 -3 -9 3.70 0.80 6 3 -9 3.10 0.90 6 3 -9 5.00 2.10 -6 3 9 2.70 1.90 -6 3 9 2.40 1.20 -6 3 9 2.00 1.50 5 -3 -9 39.10 4.70 -5 -3 9 48.60 5.70 5 -3 -9 52.79 4.80 5 3 -9 61.39 4.70 -5 3 9 49.20 5.00 -5 3 9 58.39 5.10 -4 -3 9 88.19 9.10 4 -3 -9 93.99 8.20 -4 -3 9 103.79 9.60 -4 3 9 103.09 8.50 4 3 -9 103.29 8.30 -4 3 9 112.19 8.90 3 -3 -9 434.16 34.20 -3 -3 9 457.45 35.10 -3 -3 9 387.16 34.80 3 3 -9 443.76 34.30 -2 -3 9 1206.08 92.29 -2 -3 9 1127.39 91.99 2 -3 -9 1103.59 91.39 2 3 -9 1188.58 91.49 -1 -3 9 232.88 18.80 1 -3 -9 217.88 17.80 -1 -3 9 227.58 18.50 1 3 -9 211.58 17.80 0 -3 9 114.89 9.60 0 -3 9 98.19 9.00 0 -3 -9 96.69 8.30 0 3 -9 97.29 8.40 1 -3 9 416.96 32.30 -1 3 -9 410.96 31.40 1 3 9 346.37 31.40 1 3 9 400.96 31.60 2 -3 9 431.66 33.40 -2 3 -9 402.96 32.60 2 3 9 388.16 32.50 2 3 9 408.06 32.70 3 -3 9 171.48 14.90 3 -3 9 179.68 14.10 3 3 9 167.28 14.00 3 3 9 162.18 14.00 -3 3 -9 192.18 13.90 3 3 9 145.99 14.10 4 -3 9 187.68 15.30 4 -3 9 175.68 15.40 4 3 9 180.48 14.10 4 3 9 167.18 14.20 4 3 9 172.48 14.50 4 3 9 163.18 14.90 -4 3 -9 180.88 14.30 5 -3 9 656.03 54.39 -5 3 -9 690.33 53.39 5 3 9 694.73 53.09 5 3 9 635.84 53.29 5 3 9 593.84 54.29 5 3 9 750.42 53.59 6 -3 9 128.29 10.20 6 -3 9 110.29 11.90 6 3 9 122.79 12.40 6 3 9 132.19 10.40 6 3 9 123.59 10.90 -6 3 -9 121.69 10.40 6 3 9 125.79 10.10 7 -3 9 9.10 3.30 7 3 9 3.30 1.50 7 3 9 9.30 2.70 -7 3 -9 5.30 1.60 7 3 9 7.30 1.20 8 -3 9 18.80 2.70 8 -3 9 16.30 4.00 -8 3 -9 14.50 2.40 8 3 9 17.40 3.30 8 3 9 23.10 3.00 8 3 9 22.70 2.50 9 -3 9 37.40 6.40 9 3 9 35.40 3.70 -9 3 -9 40.10 4.10 9 3 9 30.00 4.20 9 3 9 38.50 5.90 10 -3 9 89.49 8.40 10 -3 9 91.89 9.90 10 3 9 97.79 8.20 10 3 9 99.49 8.80 10 3 9 100.69 10.20 11 -3 9 58.99 5.70 -11 3 -9 58.59 5.60 11 3 9 62.39 6.20 11 3 9 46.80 7.70 11 3 9 56.49 5.40 12 -3 9 33.50 4.40 -12 3 -9 36.90 4.20 12 3 9 38.00 4.00 12 3 9 42.50 5.00 12 3 9 51.49 7.20 13 -3 9 72.79 6.80 13 3 9 65.39 6.40 13 3 9 82.79 7.10 13 3 9 59.39 8.30 -14 -3 -9 -0.50 1.80 14 -3 9 2.30 1.80 14 3 9 -0.70 2.90 14 3 9 -1.00 1.80 -14 3 -9 4.90 1.40 14 3 9 -3.70 1.20 15 -3 9 2.80 3.30 -15 -3 -9 4.80 2.00 15 3 9 2.70 3.10 15 3 9 5.50 2.20 15 3 9 4.40 1.40 16 -3 9 0.80 3.10 -16 -3 -9 2.30 1.70 16 3 9 -0.10 1.80 16 3 9 0.90 3.00 -19 -4 9 102.79 8.40 19 -4 -9 90.79 8.30 19 4 -9 90.89 8.20 -19 4 9 93.19 8.50 18 -4 -9 1.10 1.90 -18 4 9 -1.50 1.70 -18 4 9 0.50 1.00 18 4 -9 1.00 1.60 17 -4 -9 41.00 4.50 -17 4 9 42.10 4.90 -17 4 9 40.60 4.90 17 4 -9 36.50 4.40 -16 -4 9 6.50 1.30 16 -4 -9 5.60 1.90 -16 4 9 9.60 1.60 16 4 -9 8.60 1.90 -16 4 9 9.10 2.10 -15 -4 9 69.19 6.80 15 4 -9 91.99 7.20 -15 4 9 76.99 6.90 -15 4 9 79.19 7.50 -14 -4 9 12.50 2.10 14 -4 -9 12.70 2.20 14 4 -9 16.00 2.30 -14 4 9 17.20 2.80 -14 4 9 13.20 2.40 13 -4 -9 45.50 5.00 -13 -4 9 45.10 5.00 -13 4 9 49.70 4.80 -13 4 9 57.69 5.40 13 4 -9 45.50 4.80 12 -4 -9 394.56 34.40 12 4 -9 423.76 34.50 -12 4 9 471.55 34.70 -12 4 9 435.06 34.50 11 -4 -9 104.09 8.60 -11 4 9 114.69 9.00 11 4 -9 97.49 8.60 -11 4 9 79.29 11.70 -11 4 9 103.49 8.70 10 -4 -9 34.70 3.30 10 4 -9 31.00 3.40 -10 4 9 26.10 5.20 -10 4 9 37.00 3.60 9 -4 -9 68.69 6.00 -9 4 9 76.09 6.40 9 4 -9 72.39 6.10 -9 4 9 67.79 8.30 8 -4 -9 144.59 14.20 8 4 -9 168.18 12.80 -8 4 9 152.58 13.00 -8 4 9 169.88 13.90 7 -4 -9 308.47 24.70 -7 -4 9 250.87 24.80 -7 4 9 325.07 24.20 7 4 -9 283.97 23.70 -7 4 9 308.97 24.10 -7 4 9 294.57 23.70 6 -4 -9 232.88 18.80 6 -4 -9 206.38 18.00 -6 -4 9 194.38 19.10 -6 4 9 210.88 18.20 -6 4 9 258.17 18.60 -6 4 9 254.77 18.50 6 4 -9 225.78 19.50 -5 -4 9 575.64 53.89 5 -4 -9 575.54 52.89 5 -4 -9 636.24 53.29 -5 -4 9 728.83 54.09 -5 4 9 723.83 53.49 5 4 -9 739.73 53.29 -5 4 9 710.93 53.69 -4 -4 9 1073.49 77.09 -4 -4 9 887.41 76.89 4 -4 -9 812.12 76.19 4 4 -9 1016.40 76.19 -4 4 9 990.50 76.29 -4 4 9 971.70 76.19 -4 4 9 975.30 76.09 -3 -4 9 48.10 5.80 -3 -4 9 62.89 6.60 3 -4 -9 56.19 4.80 -3 4 9 62.29 5.40 -3 4 9 52.99 5.10 3 4 -9 58.99 5.00 -2 -4 9 47.80 5.50 -2 -4 9 57.39 6.10 2 -4 -9 48.70 4.30 -2 4 9 45.40 4.90 2 4 -9 54.69 4.60 -1 -4 9 63.89 6.70 -1 -4 9 72.39 7.20 1 -4 -9 63.59 5.60 -1 4 9 66.99 5.80 1 4 -9 66.79 5.80 -1 4 9 71.69 6.20 0 -4 9 1192.48 92.99 0 -4 9 1182.78 92.99 0 4 9 1087.39 92.19 0 4 -9 1163.68 92.19 0 4 9 1196.08 92.39 1 -4 9 432.76 34.80 1 4 9 431.36 34.00 -1 4 -9 428.66 33.90 1 4 9 411.06 34.10 2 -4 9 120.59 10.40 2 -4 9 128.49 11.10 -2 4 -9 109.19 10.00 3 -4 9 926.61 70.79 -3 4 -9 932.91 69.89 3 4 9 816.02 69.79 3 4 9 851.01 69.69 3 4 9 879.11 69.99 4 -4 9 2.30 2.70 4 4 9 1.60 0.80 -4 4 -9 2.90 1.20 4 4 9 5.20 1.60 4 4 9 2.30 1.00 4 4 9 2.80 1.50 5 -4 9 67.39 8.50 5 4 9 75.39 6.30 -5 4 -9 85.29 6.70 5 4 9 79.79 7.90 5 4 9 66.69 7.10 6 -4 9 1.90 3.00 6 4 9 1.20 0.80 -6 4 -9 2.10 1.30 6 4 9 0.20 1.70 6 4 9 2.60 1.10 6 4 9 -0.30 2.60 7 -4 9 314.37 26.10 7 -4 9 306.67 27.60 7 4 9 355.16 26.60 7 4 9 333.87 25.90 -7 4 -9 293.77 26.00 7 4 9 337.07 26.40 8 -4 9 96.19 8.40 8 -4 9 108.59 11.00 -8 4 -9 91.79 8.60 8 4 9 104.99 8.80 8 4 9 95.69 9.50 9 -4 9 10.60 1.80 9 -4 9 11.20 4.00 9 4 9 11.90 1.70 -9 4 -9 7.20 1.90 9 4 9 10.30 3.10 9 4 9 8.70 2.10 10 -4 9 48.10 5.30 10 -4 9 53.39 8.00 10 4 9 66.99 7.80 10 4 9 53.69 5.80 -10 4 -9 54.49 5.40 10 4 9 55.99 5.20 11 -4 9 14.00 2.20 11 4 9 11.90 1.90 11 4 9 15.50 4.20 -11 4 -9 9.70 2.10 12 -4 9 23.10 3.50 -12 4 -9 22.90 3.30 12 4 9 25.20 3.30 12 4 9 31.20 5.20 12 4 9 30.80 4.30 13 -4 9 8.20 2.70 13 4 9 8.60 1.80 13 4 9 10.90 2.60 13 4 9 7.30 3.80 -13 4 -9 8.80 1.80 -14 -4 -9 9.60 2.30 14 4 9 12.40 2.00 14 4 9 11.40 3.70 14 4 9 9.10 2.40 15 -4 9 61.69 7.70 -15 -4 -9 61.49 6.10 15 4 9 59.19 7.50 15 4 9 72.79 6.50 15 4 9 59.89 5.70 -16 -4 -9 3.70 1.70 16 -4 9 9.30 3.40 16 4 9 2.40 2.90 16 4 9 7.30 2.10 16 4 9 6.70 1.40 -19 -5 9 16.10 2.50 19 -5 -9 18.00 2.50 19 5 -9 15.60 2.30 -19 5 9 16.10 2.70 18 -5 -9 0.40 1.80 -18 5 9 -0.80 1.00 -18 5 9 -0.20 1.80 18 5 -9 3.10 1.50 17 -5 -9 115.79 9.80 17 5 -9 113.99 9.70 -17 5 9 113.89 10.10 -17 5 9 105.99 10.00 16 -5 -9 3.10 1.70 -16 -5 9 1.00 1.10 16 5 -9 0.50 1.50 -16 5 9 -0.70 1.20 -16 5 9 -0.40 1.80 15 -5 -9 45.30 4.90 -15 -5 9 46.10 4.50 -15 5 9 47.70 4.70 -15 5 9 45.90 5.20 14 -5 -9 113.09 10.10 -14 -5 9 106.19 10.00 14 5 -9 119.79 10.00 -14 5 9 118.89 10.30 -14 5 9 126.59 10.00 13 -5 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9 245.58 20.10 -4 -5 9 30.30 4.70 -4 -5 9 38.40 5.20 4 -5 -9 30.80 2.90 -4 5 9 31.50 3.20 -4 5 9 23.50 3.50 -4 5 9 40.90 3.90 4 5 -9 37.10 3.30 -3 -5 9 134.29 11.10 -3 -5 9 107.29 10.70 3 -5 -9 121.89 9.50 -3 5 9 133.19 9.60 3 5 -9 93.99 10.30 -3 5 9 110.09 9.70 -2 -5 9 928.01 71.19 -2 -5 9 884.01 71.19 2 -5 -9 847.82 70.19 -2 5 9 912.51 70.59 2 5 -9 887.31 70.39 -2 5 9 866.81 70.39 -2 5 9 887.11 70.29 1 -5 -9 36.70 3.40 -1 -5 9 40.10 5.20 -1 -5 9 37.30 4.70 -1 5 9 36.00 3.70 1 5 -9 41.10 3.60 0 -5 9 241.38 18.70 0 -5 9 218.08 18.60 0 5 9 205.18 17.70 0 5 -9 208.78 17.80 0 5 9 187.68 17.70 0 5 9 254.87 18.00 1 -5 9 78.99 7.40 1 5 9 67.39 5.70 -1 5 -9 61.89 6.00 2 -5 9 302.17 23.40 2 5 9 280.47 22.50 2 5 9 273.67 22.10 2 5 9 248.48 22.20 -2 5 -9 283.07 22.20 3 -5 9 227.08 18.40 3 5 9 177.98 16.80 3 5 9 189.78 17.20 3 5 9 229.38 17.10 -3 5 -9 230.88 17.10 4 -5 9 39.20 5.60 4 5 9 24.80 3.20 4 5 9 26.90 3.40 -4 5 -9 35.40 3.40 4 5 9 39.30 3.00 5 -5 9 1010.50 85.09 5 5 9 1068.19 83.69 5 5 9 1033.30 83.89 -5 5 -9 1050.79 83.89 5 5 9 1125.59 84.19 6 -5 9 31.50 5.90 6 5 9 43.20 4.20 6 5 9 40.20 3.70 -6 5 -9 39.10 4.20 6 5 9 46.70 5.20 7 -5 9 10.90 4.20 7 5 9 18.60 2.50 -7 5 -9 11.30 2.00 7 5 9 11.20 2.80 7 5 9 13.80 1.70 8 -5 9 18.30 4.70 8 5 9 25.60 3.10 8 5 9 38.60 5.40 -8 5 -9 28.20 3.60 8 5 9 29.60 3.80 9 -5 9 59.49 7.80 9 5 9 43.60 4.40 -9 5 -9 46.70 4.80 9 5 9 41.90 5.00 9 5 9 44.00 6.40 10 -5 9 111.09 12.10 -10 5 -9 120.19 9.80 10 5 9 107.99 11.30 10 5 9 108.89 9.60 10 5 9 116.89 10.20 11 -5 9 7.10 6.40 11 5 9 16.10 2.90 11 5 9 12.60 2.60 -11 5 -9 16.60 2.30 11 5 9 10.80 3.60 12 5 9 49.50 4.50 -12 5 -9 31.30 4.20 12 5 9 42.00 5.30 12 5 9 52.09 7.20 13 5 9 69.59 9.10 13 5 9 84.29 7.60 13 5 9 71.39 6.80 14 5 9 0.60 1.80 14 5 9 1.30 2.90 14 5 9 -0.30 1.90 15 -5 9 -2.10 3.20 -15 -5 -9 0.00 1.80 15 5 9 2.50 3.20 15 5 9 1.50 2.00 15 5 9 -2.60 1.20 16 -5 9 0.00 2.80 -16 -5 -9 -2.40 1.40 16 5 9 0.20 2.70 16 5 9 0.30 1.70 16 5 9 1.20 1.20 19 -6 -9 36.70 4.10 -19 6 9 37.30 4.50 19 6 -9 38.90 4.00 18 -6 -9 10.80 2.20 18 6 -9 11.10 1.90 -18 6 9 8.20 2.20 -18 6 9 11.30 1.60 17 -6 -9 21.50 2.70 -17 6 9 20.10 2.80 17 6 -9 17.10 2.40 -17 6 9 17.60 3.10 16 -6 -9 33.90 3.90 -16 6 9 28.40 4.40 -16 6 9 28.30 3.40 16 6 -9 28.60 3.60 -15 -6 9 88.79 8.00 15 -6 -9 88.19 8.30 -15 6 9 94.49 8.70 15 6 -9 95.49 8.20 -15 6 9 100.19 8.10 14 -6 -9 0.00 1.50 -14 6 9 -0.40 1.20 14 6 -9 -1.30 1.40 -14 6 9 1.40 1.90 13 -6 -9 2.10 1.60 -13 6 9 0.90 1.80 -13 6 9 2.00 1.30 13 6 -9 3.30 1.50 12 -6 -9 174.58 15.30 -12 6 9 184.48 15.30 -12 6 9 205.38 15.80 12 6 -9 187.08 15.30 11 -6 -9 -0.20 1.20 -11 6 9 -0.20 4.50 -11 6 9 -0.80 1.10 -11 6 9 -1.90 1.80 11 6 -9 0.60 1.20 10 -6 -9 -0.20 1.20 -10 6 9 0.10 3.90 -10 6 9 1.60 1.70 10 6 -9 -0.90 1.00 -10 6 9 -0.30 1.10 9 -6 -9 146.39 11.10 9 6 -9 120.39 11.10 -9 6 9 148.99 11.30 -9 6 9 144.19 12.90 -9 6 9 120.19 12.00 8 -6 -9 10.90 3.20 -8 6 9 22.40 3.60 8 6 -9 15.40 2.00 -8 6 9 16.80 2.10 -8 6 9 19.80 2.40 7 -6 -9 152.18 15.50 -7 -6 9 176.18 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2.90 -16 4 10 18.90 3.00 -15 -4 10 105.89 9.40 15 -4 -10 113.39 9.60 -15 4 10 115.69 9.50 15 4 -10 110.39 9.70 -15 4 10 107.49 9.80 -14 -4 10 76.79 8.30 14 -4 -10 74.39 7.50 -14 4 10 90.79 7.90 -14 4 10 89.19 7.50 14 4 -10 86.19 7.60 13 -4 -10 36.50 4.30 -13 -4 10 35.20 4.50 13 4 -10 34.20 4.20 -13 4 10 41.70 4.20 -13 4 10 40.70 4.90 12 -4 -10 106.89 9.10 12 4 -10 101.09 9.10 -12 4 10 111.69 9.60 -12 4 10 108.89 9.20 11 -4 -10 213.98 17.50 -11 4 10 240.98 17.90 -11 4 10 175.98 19.60 -11 4 10 225.18 17.60 -10 -4 10 9.30 3.10 10 -4 -10 5.20 1.80 -10 4 10 7.90 3.80 10 4 -10 9.50 1.50 -10 4 10 10.10 1.60 9 -4 -10 14.50 2.00 -9 -4 10 9.90 3.40 -9 4 10 20.50 2.60 9 4 -10 16.70 2.10 -9 4 10 18.80 3.80 8 -4 -10 284.27 28.20 -8 4 10 328.67 27.50 -8 4 10 372.86 27.70 8 4 -10 346.87 26.90 -8 4 10 352.26 27.10 7 -4 -10 10.10 2.20 7 4 -10 12.80 1.30 -7 4 10 10.90 2.40 -7 4 10 8.90 1.70 -7 4 10 5.00 2.00 6 -4 -10 155.78 12.10 6 -4 -10 123.59 11.50 -6 4 10 163.38 12.20 -6 4 10 141.49 12.20 6 4 -10 146.39 11.80 -6 4 10 134.39 11.90 -5 -4 10 679.63 50.99 5 -4 -10 583.34 49.70 -5 -4 10 532.45 50.59 -5 4 10 679.53 50.09 -5 4 10 662.53 50.09 -5 4 10 673.63 49.90 5 4 -10 677.53 49.90 -5 4 10 537.95 49.90 4 -4 -10 9.00 1.10 -4 -4 10 8.40 2.60 -4 -4 10 5.10 2.00 -4 4 10 8.50 1.30 4 4 -10 11.50 1.60 -4 4 10 5.80 1.50 -4 4 10 3.40 1.60 -3 -4 10 100.89 9.90 -3 -4 10 118.99 10.50 3 -4 -10 108.49 9.00 -3 4 10 96.09 10.60 -3 4 10 112.49 9.00 3 4 -10 113.29 9.20 -3 4 10 118.59 9.30 -2 -4 10 311.07 25.20 2 -4 -10 302.47 24.10 -2 -4 10 288.77 24.80 2 4 -10 312.07 24.20 -2 4 10 294.37 24.00 -1 -4 10 271.27 23.40 -1 -4 10 292.37 23.70 1 -4 -10 273.07 22.60 -1 4 10 294.07 23.90 1 4 -10 284.97 22.70 0 -4 -10 321.37 25.70 0 -4 10 334.47 26.70 0 -4 10 327.47 26.90 0 4 10 303.47 26.10 0 4 10 332.67 26.00 0 4 -10 317.57 25.80 1 -4 10 46.80 6.00 1 -4 10 44.00 5.10 -1 4 -10 48.50 4.20 1 4 10 47.40 4.80 1 4 10 43.50 4.20 1 4 10 42.50 3.90 2 -4 10 169.18 14.70 2 4 10 145.09 13.40 2 4 10 163.08 13.20 -2 4 -10 158.28 13.40 2 4 10 185.68 13.80 3 -4 10 63.39 7.40 3 -4 10 54.79 5.70 3 4 10 59.09 5.90 3 4 10 67.99 5.50 -3 4 -10 65.09 5.60 3 4 10 61.99 5.20 4 -4 10 381.06 29.10 4 -4 10 362.56 30.20 4 4 10 349.17 28.90 4 4 10 358.06 29.10 -4 4 -10 369.66 28.90 4 4 10 341.47 28.70 5 -4 10 2.50 1.70 5 -4 10 3.20 3.20 5 4 10 0.10 0.80 5 4 10 -0.50 1.20 5 4 10 0.20 1.70 -5 4 -10 0.20 1.30 6 -4 10 13.30 4.60 6 -4 10 31.70 3.80 6 4 10 18.80 3.10 6 4 10 21.00 2.40 -6 4 -10 22.90 3.20 7 -4 10 108.79 9.40 7 -4 10 114.49 11.90 -7 4 -10 101.69 9.60 7 4 10 121.39 10.50 7 4 10 111.49 9.20 7 4 10 112.99 9.70 8 -4 10 16.40 4.30 8 -4 10 14.20 2.20 -8 4 -10 17.30 2.60 8 4 10 17.30 2.00 8 4 10 21.30 3.60 8 4 10 10.60 2.40 9 -4 10 15.40 2.30 9 -4 10 11.40 4.30 9 4 10 11.50 3.70 9 4 10 15.90 2.70 -9 4 -10 15.90 2.50 9 4 10 12.20 1.90 10 -4 10 84.89 9.50 10 -4 10 62.49 7.10 10 4 10 91.09 10.70 10 4 10 75.29 6.90 -10 4 -10 86.09 7.30 10 4 10 84.49 7.70 11 -4 10 13.50 4.20 11 4 10 20.10 4.20 -11 4 -10 20.40 2.80 11 4 10 19.00 3.20 11 4 10 18.10 2.40 -12 4 -10 16.20 2.50 12 4 10 8.30 4.00 12 4 10 17.20 3.00 12 4 10 13.30 2.10 13 -4 10 46.20 6.70 -13 -4 -10 42.20 4.90 13 4 10 43.20 5.10 13 4 10 41.80 6.80 13 4 10 43.10 4.30 14 -4 10 1.30 3.40 -14 -4 -10 3.30 2.00 14 4 10 3.00 3.80 14 4 10 1.80 1.30 14 4 10 1.60 2.10 15 -4 10 2.70 3.00 -15 -4 -10 4.10 1.80 15 4 10 5.30 2.00 15 4 10 3.50 3.10 15 4 10 1.10 1.50 -16 -4 -10 11.40 2.30 16 -4 10 13.20 3.40 16 4 10 16.80 2.70 16 4 10 12.60 3.40 -19 -5 10 8.90 2.10 19 -5 -10 8.50 1.90 19 5 -10 9.40 2.00 -19 5 10 9.50 2.20 18 -5 -10 87.39 7.60 18 5 -10 78.99 7.40 -18 5 10 84.89 7.80 -18 5 10 85.89 7.20 17 -5 -10 51.59 5.10 -17 5 10 41.40 5.60 -17 5 10 48.50 4.60 17 5 -10 45.10 4.80 16 -5 -10 9.40 2.20 -16 -5 10 10.20 1.70 -16 5 10 8.30 2.30 -16 5 10 11.90 1.90 16 5 -10 12.10 2.00 15 -5 -10 97.29 9.10 -15 -5 10 105.89 8.90 15 5 -10 98.09 9.00 -15 5 10 109.89 9.00 -15 5 10 106.59 9.40 -14 -5 10 0.50 1.60 14 -5 -10 -0.70 1.50 -14 5 10 1.70 1.40 -14 5 10 2.10 2.00 14 5 -10 2.40 1.60 13 -5 -10 120.39 11.30 13 5 -10 128.19 11.20 -13 5 10 160.88 12.30 -13 5 10 133.39 11.20 12 -5 -10 47.10 4.60 -12 5 10 51.19 5.40 12 5 -10 39.10 4.50 -12 5 10 45.40 4.50 11 -5 -10 12.00 1.80 -11 5 10 12.80 5.00 -11 5 10 20.70 2.70 -11 5 10 15.30 2.40 11 5 -10 11.00 2.70 10 -5 -10 288.37 22.20 10 5 -10 246.78 22.20 -10 5 10 292.57 22.60 -10 5 10 299.17 22.40 -10 5 10 254.57 23.60 9 -5 -10 30.90 2.90 -9 5 10 24.40 3.90 -9 5 10 30.90 4.70 -9 5 10 28.20 3.40 9 5 -10 28.40 2.90 -8 -5 10 1.70 2.40 -8 5 10 -0.10 1.50 8 5 -10 -0.60 0.70 -8 5 10 -0.70 1.20 -8 5 10 -1.40 2.30 -8 5 10 0.70 2.40 7 -5 -10 153.08 13.90 7 5 -10 153.38 13.00 -7 5 10 171.68 13.30 -7 5 10 170.28 13.70 -7 5 10 155.28 13.30 -7 5 10 166.28 13.80 6 -5 -10 208.88 18.70 6 -5 -10 204.08 18.30 -6 5 10 236.08 18.80 -6 5 10 257.47 18.60 -6 5 10 249.78 19.00 -6 5 10 225.18 18.60 -5 -5 10 76.09 7.60 -5 -5 10 60.29 7.00 5 -5 -10 60.99 5.40 -5 5 10 66.29 5.80 -5 5 10 67.99 5.70 -5 5 10 65.59 6.30 -5 5 10 55.49 5.90 -5 5 10 69.29 6.10 5 5 -10 70.59 5.80 -4 -5 10 48.60 5.80 -4 -5 10 37.40 5.00 4 -5 -10 38.50 3.60 -4 5 10 32.50 4.10 -4 5 10 39.10 3.80 -4 5 10 43.40 4.10 4 5 -10 47.90 4.00 -4 5 10 44.90 4.60 -3 -5 10 499.15 38.20 3 -5 -10 453.05 37.00 -3 -5 10 416.76 37.90 3 5 -10 472.45 37.10 -3 5 10 450.55 37.20 -3 5 10 503.55 37.40 -2 -5 10 50.59 5.80 -2 -5 10 53.69 6.30 2 -5 -10 52.69 4.50 -2 5 10 48.50 5.70 2 5 -10 53.99 4.70 -2 5 10 49.70 4.80 -2 5 10 55.39 4.80 -2 5 10 48.80 4.50 1 -5 -10 24.60 2.40 -1 -5 10 22.60 4.70 -1 -5 10 20.30 3.80 1 5 -10 22.10 2.70 -1 5 10 24.50 2.40 -1 5 10 24.20 2.80 -1 5 10 24.30 3.50 0 -5 10 328.47 26.50 0 -5 10 305.97 26.30 0 -5 -10 304.37 25.50 0 5 10 295.27 25.40 0 5 -10 315.77 25.40 0 5 10 351.16 25.70 0 5 10 315.07 25.20 1 -5 10 61.59 7.10 1 -5 10 75.29 7.80 1 5 10 62.59 6.10 1 5 10 71.39 5.90 -1 5 -10 70.09 6.10 1 5 10 84.69 6.70 2 -5 10 937.01 73.59 2 -5 10 986.20 73.19 -2 5 -10 908.41 72.49 2 5 10 889.31 72.69 2 5 10 881.41 72.29 2 5 10 878.61 72.49 3 -5 10 9.00 3.20 3 -5 10 11.80 1.90 3 5 10 10.10 2.20 3 5 10 15.00 2.30 -3 5 -10 15.10 2.00 3 5 10 13.10 1.50 4 -5 10 112.89 8.80 4 -5 10 103.29 10.60 -4 5 -10 95.09 8.50 4 5 10 104.69 8.90 4 5 10 87.19 8.40 4 5 10 93.29 8.10 5 -5 10 301.07 28.10 -5 5 -10 322.07 25.50 5 5 10 330.47 25.50 5 5 10 317.97 25.20 5 5 10 297.27 26.60 6 -5 10 30.90 5.60 6 5 10 41.40 4.90 -6 5 -10 33.90 4.00 6 5 10 34.70 3.40 6 5 10 31.50 3.90 7 -5 10 1.50 3.40 -7 5 -10 2.10 1.60 7 5 10 0.70 2.40 7 5 10 2.50 1.10 7 5 10 4.90 1.80 8 -5 10 6.40 3.80 8 5 10 5.20 1.90 8 5 10 4.30 1.30 8 5 10 6.80 3.00 -8 5 -10 1.40 1.60 9 -5 10 272.47 22.40 9 5 10 227.98 19.90 9 5 10 226.58 20.40 9 5 10 248.78 21.30 -9 5 -10 261.37 20.20 10 -5 10 13.60 4.50 10 5 10 12.20 4.20 10 5 10 15.50 2.20 -10 5 -10 25.20 3.30 11 5 10 5.80 3.70 11 5 10 2.50 1.40 11 5 10 4.90 2.20 -11 5 -10 4.80 1.70 12 5 10 62.99 6.70 12 5 10 58.99 5.80 12 5 10 66.29 8.50 13 -5 10 0.00 3.30 13 5 10 1.50 3.30 13 5 10 3.40 2.20 13 5 10 2.00 1.40 -14 -5 -10 8.20 2.30 14 -5 10 11.40 3.70 14 5 10 9.00 1.70 14 5 10 7.90 2.40 14 5 10 7.70 3.50 -15 -5 -10 4.40 1.90 15 -5 10 7.40 3.30 15 5 10 1.90 1.40 15 5 10 6.20 2.10 15 5 10 0.70 2.80 19 -6 -10 17.80 2.40 19 6 -10 15.10 2.10 -19 6 10 15.80 2.60 18 -6 -10 1.40 1.70 -18 6 10 0.10 1.20 -18 6 10 1.00 1.90 18 6 -10 0.90 1.40 17 -6 -10 39.90 4.40 17 6 -10 31.60 4.50 -17 6 10 34.30 4.90 -17 6 10 39.90 3.90 16 -6 -10 56.59 5.30 -16 -6 10 44.50 4.70 -16 6 10 55.19 5.00 -16 6 10 54.79 5.60 16 6 -10 49.00 5.00 -15 -6 10 167.48 15.00 15 -6 -10 184.48 15.20 -15 6 10 195.78 15.10 -15 6 10 194.78 15.50 15 6 -10 176.38 15.10 14 -6 -10 0.20 1.60 -14 -6 10 0.00 1.50 14 6 -10 0.10 1.40 -14 6 10 -0.50 1.30 -14 6 10 -1.80 1.80 13 -6 -10 127.29 11.10 13 6 -10 133.89 10.90 12 -6 -10 115.29 10.00 -12 6 10 127.99 10.10 -12 6 10 128.59 10.60 12 6 -10 105.59 9.90 11 -6 -10 9.90 1.60 11 6 -10 8.60 1.90 -11 6 10 6.40 2.10 -11 6 10 5.90 1.50 -11 6 10 6.30 4.90 10 -6 -10 9.10 1.40 -10 6 10 11.80 1.80 -10 6 10 6.30 3.80 -10 6 10 10.80 2.30 10 6 -10 7.70 1.50 -9 -6 10 13.80 4.00 9 -6 -10 17.10 2.10 -9 6 10 18.20 2.20 9 6 -10 12.50 1.70 -9 6 10 18.50 3.90 -9 6 10 11.60 2.30 8 6 -10 427.66 33.00 -8 6 10 402.86 33.50 -8 6 10 389.26 34.40 -8 6 10 436.86 33.40 -7 6 10 121.79 10.70 7 6 -10 115.19 9.80 -7 6 10 126.89 10.90 -7 6 10 121.39 10.20 -7 6 10 123.49 10.20 -6 -6 10 17.40 3.70 -6 -6 10 23.50 4.30 6 -6 -10 18.70 2.60 -6 6 10 19.90 3.40 6 6 -10 19.20 1.90 -6 6 10 18.10 2.70 -6 6 10 18.40 2.80 -6 6 10 23.30 3.80 -5 -6 10 484.35 39.20 -5 6 10 461.55 38.00 -5 6 10 490.25 38.00 -5 6 10 496.15 38.30 -5 6 10 445.76 38.10 5 6 -10 485.65 38.10 -4 -6 10 4.70 2.50 4 -6 -10 3.70 0.80 -4 -6 10 3.00 2.10 4 6 -10 6.40 1.40 -4 6 10 3.80 1.80 -4 6 10 7.20 1.60 -4 6 10 5.60 1.30 -4 6 10 3.00 0.90 -4 6 10 6.40 1.20 -3 -6 10 28.00 4.50 3 -6 -10 29.00 2.80 -3 -6 10 31.60 5.30 -3 6 10 28.50 4.10 -3 6 10 32.60 3.40 -3 6 10 29.30 3.00 -3 6 10 29.90 3.30 3 6 -10 33.10 3.30 -2 -6 10 8.70 3.00 2 -6 -10 10.60 1.50 -2 -6 10 7.40 2.20 2 6 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503.25 37.60 7 6 10 457.85 37.10 7 6 10 460.75 36.70 8 -6 10 5.70 4.20 8 6 10 17.20 2.70 8 6 10 3.70 2.90 -8 6 -10 10.10 2.20 8 6 10 11.00 1.80 9 -6 10 -2.00 3.70 9 6 10 1.70 3.40 -9 6 -10 4.20 2.00 9 6 10 1.00 2.00 9 6 10 2.20 1.40 10 -6 10 51.29 8.10 10 6 10 67.39 6.40 10 6 10 52.79 6.10 10 6 10 57.19 7.60 -10 6 -10 48.90 5.50 11 -6 10 55.69 10.40 11 6 10 47.70 7.70 11 6 10 55.69 6.10 11 6 10 52.09 5.20 -11 6 -10 53.09 5.30 12 6 10 58.19 8.30 12 6 10 59.99 6.00 12 6 10 71.79 7.00 13 -6 10 2.40 3.40 13 6 10 0.80 2.00 13 6 10 0.30 3.00 13 6 10 -1.10 1.30 14 -6 10 25.90 4.50 -14 -6 -10 20.10 4.10 14 6 10 21.90 3.00 14 6 10 25.70 4.80 14 6 10 24.90 4.00 -15 -6 -10 13.10 2.40 15 -6 10 11.30 3.50 15 6 10 15.20 2.60 15 6 10 10.00 1.90 15 6 10 8.70 3.50 18 -7 -10 88.29 7.70 -18 7 10 89.29 7.50 -18 7 10 82.89 7.90 18 7 -10 83.09 7.40 17 -7 -10 81.49 7.00 -17 7 10 78.69 6.60 17 7 -10 61.59 6.50 -17 7 10 78.29 7.20 16 -7 -10 0.30 1.60 -16 7 10 -0.90 1.90 -16 7 10 0.50 1.30 16 7 -10 -2.10 1.30 -15 -7 10 87.49 7.90 15 -7 -10 88.19 8.10 15 7 -10 80.29 7.80 -15 7 10 103.39 8.00 -15 7 10 93.49 8.50 14 -7 -10 3.40 2.10 -14 -7 10 1.60 1.60 14 7 -10 1.50 1.30 -14 7 10 2.60 1.40 -14 7 10 1.80 2.10 13 -7 -10 124.29 11.50 -13 7 10 155.18 12.10 -13 7 10 145.09 11.40 13 7 -10 121.99 11.30 12 -7 -10 8.20 1.70 12 7 -10 11.50 1.70 -12 7 10 9.10 1.80 -12 7 10 8.40 2.40 11 -7 -10 73.79 6.40 -11 7 10 59.09 10.30 -11 7 10 74.79 7.30 -11 7 10 80.89 6.60 11 7 -10 65.79 6.40 10 -7 -10 118.69 9.10 -10 7 10 100.19 9.70 10 7 -10 98.99 9.00 -10 7 10 99.89 11.60 -10 7 10 120.49 9.30 9 -7 -10 7.60 1.60 9 7 -10 7.00 1.30 -9 7 10 5.20 2.00 -9 7 10 8.20 1.60 -9 7 10 7.20 3.60 -8 -7 10 38.50 6.80 -8 7 10 55.29 6.50 -8 7 10 46.20 6.10 -8 7 10 59.29 4.80 8 7 -10 43.10 4.20 -8 7 10 46.90 5.80 -7 7 10 49.70 6.30 -7 7 10 55.89 6.00 -7 7 10 50.79 5.30 -7 7 10 61.89 5.40 -6 -7 10 198.78 17.20 6 -7 -10 172.88 15.90 -6 -7 10 156.88 17.00 -6 7 10 206.08 15.90 -6 7 10 222.98 15.70 6 7 -10 180.68 15.30 -6 7 10 218.58 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4 14 38.10 4.90 -8 4 14 45.00 6.80 7 -4 -14 67.69 6.80 -7 4 14 81.59 7.20 -7 4 14 80.69 8.40 -7 4 14 84.19 8.40 -7 4 14 93.09 7.70 6 -4 -14 47.20 4.70 -6 4 14 48.60 6.00 -6 4 14 48.10 4.70 -6 4 14 49.99 5.70 6 4 -14 53.59 5.80 -6 4 14 54.99 6.20 5 -4 -14 56.49 5.40 5 4 -14 59.79 5.90 -5 4 14 72.39 6.60 -5 4 14 56.19 6.30 -5 4 14 58.49 5.30 -5 4 14 57.59 6.70 4 -4 -14 123.19 10.80 -4 4 14 130.69 11.30 -4 4 14 132.69 11.60 4 4 -14 131.09 11.00 -3 -4 14 5.60 3.60 3 -4 -14 10.80 1.80 -3 4 14 10.40 2.60 -3 4 14 3.10 1.80 3 4 -14 10.20 2.00 -3 4 14 6.10 1.50 -3 4 14 7.00 2.00 -2 -4 14 123.39 11.00 -2 -4 14 114.79 12.80 2 -4 -14 139.99 10.80 -2 -4 14 106.89 10.90 -2 4 14 125.89 11.50 2 4 -14 130.29 11.00 -2 4 14 127.29 10.60 -2 4 14 140.49 11.00 -2 4 14 150.58 11.10 1 -4 -14 109.29 8.90 -1 -4 14 102.49 11.30 -1 -4 14 91.59 9.10 -1 -4 14 87.19 9.40 -1 4 14 119.39 9.00 -1 4 14 98.59 8.70 1 4 -14 100.19 9.40 -1 4 14 117.79 9.30 -1 4 14 110.89 9.80 0 -4 -14 31.60 3.60 0 -4 14 17.90 4.90 0 -4 14 31.20 3.80 0 4 14 26.00 3.80 0 4 14 30.90 4.70 0 4 -14 22.70 3.50 0 4 14 30.10 3.00 1 -4 14 28.30 5.90 1 -4 14 35.70 4.40 1 4 14 37.90 5.20 1 4 14 48.30 4.60 1 4 14 39.00 3.70 -1 4 -14 38.60 4.50 -2 -4 -14 126.79 10.50 2 -4 14 129.49 11.20 2 -4 14 114.89 13.30 2 4 14 119.89 11.20 -2 4 -14 122.39 10.70 2 4 14 125.89 10.60 2 4 14 120.39 10.10 3 -4 14 6.60 2.10 3 -4 14 3.90 4.30 -3 -4 -14 4.40 1.90 3 4 14 3.00 1.80 3 4 14 5.20 2.50 -3 4 -14 1.70 1.70 3 4 14 2.70 1.20 4 -4 14 2.40 4.50 4 -4 14 1.10 2.20 -4 -4 -14 3.10 2.00 4 4 14 0.20 1.00 4 4 14 -0.60 2.40 4 4 14 1.20 1.80 -4 4 -14 1.90 2.10 -5 -4 -14 119.19 10.10 5 -4 14 109.99 10.40 5 4 14 101.09 9.30 5 4 14 113.59 10.70 -5 4 -14 112.19 10.30 5 4 14 121.39 10.10 6 -4 14 28.40 4.20 -6 -4 -14 25.50 3.70 6 -4 14 12.70 5.40 -6 4 -14 27.60 3.90 6 4 14 25.00 5.10 6 4 14 24.00 3.50 6 4 14 24.10 2.90 7 -4 14 28.30 6.20 7 -4 14 37.60 6.00 -7 -4 -14 49.60 5.70 7 4 14 27.40 5.00 7 4 14 39.60 5.10 -7 4 -14 38.80 5.40 7 4 14 30.20 3.60 8 -4 14 2.20 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343.77 29.30 -3 5 14 365.36 29.30 -3 5 14 338.07 29.40 -3 5 14 361.96 29.00 -2 -5 14 1.30 3.40 2 -5 -14 1.80 1.20 2 5 -14 1.20 1.90 -2 5 14 2.00 1.70 -2 5 14 2.50 2.30 -2 5 14 1.00 1.40 -2 5 14 -1.00 1.20 1 -5 -14 7.60 1.60 -1 -5 14 3.30 3.50 -1 5 14 4.40 1.30 1 5 -14 4.40 1.60 -1 5 14 4.40 1.90 -1 5 14 5.10 1.40 -1 5 14 10.50 2.70 0 -5 -14 152.78 12.30 0 -5 14 125.19 12.30 0 -5 14 135.29 14.40 0 5 14 145.89 12.00 0 5 14 156.58 12.40 0 5 -14 141.99 12.40 0 5 14 154.08 12.90 0 5 14 157.98 12.00 -1 -5 -14 26.40 3.50 1 -5 14 22.80 3.50 1 -5 14 23.20 5.70 -1 5 -14 25.10 3.70 1 5 14 22.10 3.60 1 5 14 34.40 4.50 1 5 14 28.20 3.30 2 -5 14 13.20 5.10 2 -5 14 22.00 3.20 -2 -5 -14 28.10 3.70 2 5 14 30.30 3.70 2 5 14 18.20 3.50 2 5 14 27.90 2.90 -2 5 -14 29.30 4.00 -3 -5 -14 2.90 1.70 3 -5 14 1.40 1.80 3 -5 14 4.30 4.20 3 5 14 1.80 1.00 3 5 14 3.00 2.20 -3 5 -14 2.70 1.90 3 5 14 2.40 1.80 4 -5 14 135.59 17.10 -4 -5 -14 189.18 14.60 4 -5 14 176.98 14.70 4 5 14 178.48 14.60 4 5 14 157.98 14.00 -4 5 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6 14 1.50 1.80 6 -6 -14 81.39 7.50 -6 6 14 84.59 8.50 -6 6 14 95.59 8.80 -6 6 14 80.49 7.90 5 -6 -14 127.99 10.40 -5 6 14 116.79 10.30 -5 6 14 139.19 11.60 -5 6 14 136.39 11.30 5 6 -14 131.49 10.80 -5 6 14 107.99 10.80 -4 -6 14 3.30 3.80 4 -6 -14 3.40 1.20 -4 6 14 2.10 2.50 -4 6 14 4.10 2.20 4 6 -14 1.60 1.60 -4 6 14 0.00 1.50 -4 6 14 2.50 1.70 -3 -6 14 17.10 4.70 3 -6 -14 24.90 3.20 -3 6 14 25.00 4.20 3 6 -14 27.10 3.70 -3 6 14 24.70 3.20 -3 6 14 26.20 3.70 -3 6 14 31.10 5.00 -2 -6 14 49.70 7.90 2 -6 -14 55.09 4.90 -2 6 14 47.40 4.80 2 6 -14 45.00 5.20 -2 6 14 56.39 5.50 -2 6 14 52.49 6.20 -1 -6 14 90.39 11.50 1 -6 -14 106.19 8.80 -1 6 14 105.99 8.60 -1 6 14 99.69 8.60 1 6 -14 94.69 9.00 -1 6 14 106.49 9.20 -1 6 14 111.59 9.80 0 -6 14 31.80 6.30 0 -6 -14 34.10 5.20 0 6 -14 40.90 4.60 0 6 14 38.60 3.70 0 6 14 37.00 5.40 0 6 14 46.30 4.60 0 6 14 38.30 3.90 -1 -6 -14 1.90 1.50 1 -6 14 5.20 4.10 1 6 14 2.40 1.70 1 6 14 5.30 2.40 1 6 14 5.70 1.30 -1 6 -14 4.50 2.00 -2 -6 -14 285.17 21.70 2 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_computing_structure_solution 'SHELXT 2014/5 (Sheldrick, 2014)' ; _shelx_hkl_checksum 26369 _shelx_fab_checksum 44241 _shelx_fab_file ; 2 0 0 104.57 0.00 3 0 0 -59.54 0.00 4 0 0 -96.27 0.00 5 0 0 -44.28 0.00 6 0 0 12.15 0.00 7 0 0 23.36 0.00 8 0 0 2.79 0.00 9 0 0 -18.21 0.00 10 0 0 -20.88 0.00 11 0 0 -7.36 0.00 12 0 0 5.96 0.00 13 0 0 10.00 0.00 14 0 0 6.62 0.00 15 0 0 1.38 0.00 16 0 0 -1.48 0.00 17 0 0 -1.83 0.00 18 0 0 -0.28 0.00 19 0 0 1.20 0.00 1 1 0 145.13 0.00 2 1 0 178.78 0.00 3 1 0 103.47 0.00 4 1 0 1.37 0.00 5 1 0 -52.61 0.00 6 1 0 -42.91 0.00 7 1 0 -7.72 0.00 8 1 0 14.65 0.00 9 1 0 14.13 0.00 10 1 0 1.10 0.00 11 1 0 -8.16 0.00 12 1 0 -7.49 0.00 13 1 0 -1.85 0.00 14 1 0 2.77 0.00 15 1 0 3.91 0.00 16 1 0 2.77 0.00 17 1 0 1.09 0.00 18 1 0 -0.27 0.00 19 1 0 -0.44 0.00 0 2 0 93.37 0.00 1 2 0 95.35 0.00 2 2 0 104.57 0.00 3 2 0 108.12 0.00 4 2 0 82.59 0.00 5 2 0 34.46 0.00 6 2 0 -10.05 0.00 7 2 0 -32.59 0.00 8 2 0 -30.02 0.00 9 2 0 -14.64 0.00 10 2 0 -1.03 0.00 11 2 0 4.60 0.00 12 2 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-1.20 0.00 3 8 22 -1.82 0.00 4 8 22 -2.19 0.00 -10 9 22 0.77 0.00 -9 9 22 1.73 0.00 -8 9 22 1.52 0.00 1 9 22 0.50 0.00 2 9 22 2.23 0.00 3 9 22 2.15 0.00 -9 10 22 -0.12 0.00 -8 10 22 0.62 0.00 -7 10 22 0.85 0.00 -6 10 22 0.66 0.00 -5 10 22 0.34 0.00 -2 10 22 0.77 0.00 -1 10 22 0.03 0.00 0 10 22 -1.72 0.00 1 10 22 -3.14 0.00 2 10 22 -2.47 0.00 -8 11 22 0.07 0.00 -7 11 22 -0.05 0.00 -6 11 22 0.35 0.00 -5 11 22 0.74 0.00 -4 11 22 -0.06 0.00 -3 11 22 -1.10 0.00 -2 11 22 -1.00 0.00 -1 11 22 0.01 0.00 0 11 22 0.91 0.00 1 11 22 1.02 0.00 -6 12 22 -0.71 0.00 -5 12 22 -0.33 0.00 -4 12 22 0.69 0.00 -3 12 22 0.79 0.00 -2 12 22 0.21 0.00 -1 12 22 -0.29 0.00 -12 1 23 0.19 0.00 -11 1 23 -0.49 0.00 -10 1 23 -0.69 0.00 2 1 23 -0.78 0.00 3 1 23 -1.33 0.00 4 1 23 -1.93 0.00 -11 2 23 0.31 0.00 -10 2 23 -0.57 0.00 2 2 23 0.31 0.00 3 2 23 0.55 0.00 4 2 23 -0.20 0.00 -11 3 23 0.46 0.00 -10 3 23 0.33 0.00 -9 3 23 -0.09 0.00 2 3 23 -0.15 0.00 3 3 23 0.04 0.00 4 3 23 -1.36 0.00 -11 4 23 0.31 0.00 -10 4 23 -0.38 0.00 -9 4 23 0.11 0.00 2 4 23 -0.64 0.00 3 4 23 1.53 0.00 -11 5 23 1.66 0.00 -10 5 23 1.06 0.00 -9 5 23 -0.33 0.00 -8 5 23 -0.44 0.00 1 5 23 -1.89 0.00 2 5 23 -2.32 0.00 3 5 23 -1.58 0.00 -10 6 23 0.95 0.00 -9 6 23 1.35 0.00 -8 6 23 1.00 0.00 0 6 23 0.48 0.00 1 6 23 0.38 0.00 2 6 23 0.16 0.00 3 6 23 0.69 0.00 -9 7 23 0.26 0.00 -8 7 23 0.74 0.00 -7 7 23 0.70 0.00 -6 7 23 0.76 0.00 -2 7 23 -1.39 0.00 -1 7 23 -2.48 0.00 0 7 23 -2.26 0.00 1 7 23 -1.63 0.00 2 7 23 -1.10 0.00 -9 8 23 0.27 0.00 -8 8 23 0.31 0.00 -7 8 23 1.00 0.00 -6 8 23 1.15 0.00 -5 8 23 0.79 0.00 -4 8 23 0.59 0.00 -3 8 23 0.80 0.00 -2 8 23 1.24 0.00 -1 8 23 1.19 0.00 0 8 23 0.46 0.00 1 8 23 -0.72 0.00 -8 9 23 0.20 0.00 -7 9 23 -0.71 0.00 -6 9 23 -0.98 0.00 -5 9 23 -0.54 0.00 -4 9 23 -0.28 0.00 -3 9 23 -0.62 0.00 -2 9 23 -0.84 0.00 -1 9 23 -0.46 0.00 0 9 23 0.33 0.00 -6 10 23 1.24 0.00 -5 10 23 0.39 0.00 -4 10 23 0.52 0.00 -3 10 23 0.90 0.00 -2 10 23 0.83 0.00 -9 0 24 -0.23 0.00 -8 0 24 -1.48 0.00 -7 0 24 -1.44 0.00 -6 0 24 0.06 0.00 -5 0 24 1.71 0.00 -4 0 24 1.20 0.00 -3 0 24 0.19 0.00 -2 0 24 0.87 0.00 -1 0 24 1.74 0.00 0 0 24 1.70 0.00 1 0 24 1.04 0.00 2 0 24 0.72 0.00 -9 1 24 0.56 0.00 -8 1 24 0.18 0.00 -7 1 24 -0.37 0.00 -6 1 24 -0.46 0.00 -5 1 24 0.24 0.00 -4 1 24 0.74 0.00 -3 1 24 0.15 0.00 -2 1 24 -0.24 0.00 -1 1 24 0.29 0.00 0 1 24 0.71 0.00 1 1 24 0.33 0.00 2 1 24 -0.29 0.00 -9 2 24 0.05 0.00 -8 2 24 -0.17 0.00 -7 2 24 -0.48 0.00 -6 2 24 -0.18 0.00 -5 2 24 0.80 0.00 -4 2 24 0.79 0.00 -3 2 24 -0.16 0.00 -2 2 24 -0.52 0.00 -1 2 24 0.19 0.00 0 2 24 1.42 0.00 1 2 24 1.67 0.00 -9 3 24 -0.34 0.00 -8 3 24 -0.28 0.00 -7 3 24 0.01 0.00 -6 3 24 0.03 0.00 -5 3 24 0.93 0.00 -4 3 24 2.08 0.00 -3 3 24 1.37 0.00 -2 3 24 -0.16 0.00 -1 3 24 -0.80 0.00 0 3 24 -0.32 0.00 1 3 24 0.61 0.00 -9 4 24 0.15 0.00 -8 4 24 -0.23 0.00 -7 4 24 -0.59 0.00 -6 4 24 -0.54 0.00 -5 4 24 -0.25 0.00 -4 4 24 0.36 0.00 -3 4 24 0.43 0.00 -2 4 24 -0.37 0.00 -1 4 24 -0.84 0.00 0 4 24 -0.38 0.00 1 4 24 0.23 0.00 -8 5 24 -0.41 0.00 -7 5 24 0.00 0.00 -6 5 24 0.04 0.00 -5 5 24 0.74 0.00 -4 5 24 2.18 0.00 -3 5 24 2.76 0.00 -2 5 24 1.76 0.00 -1 5 24 0.00 0.00 0 5 24 -0.88 0.00 -7 6 24 -0.54 0.00 -6 6 24 -0.94 0.00 -5 6 24 -1.99 0.00 -4 6 24 -2.03 0.00 -3 6 24 -0.66 0.00 -2 6 24 0.72 0.00 -1 6 24 1.25 0.00 -6 7 24 1.40 0.00 -5 7 24 1.50 0.00 -4 7 24 0.72 0.00 -3 7 24 -0.18 0.00 -2 7 24 -0.67 0.00 0 0 0 0.00 0.00 # SQUEEZE RESULTS (Version = 260918) # Note: Data are Listed for all Voids in the P1 Unit Cell # i.e. Centre of Gravity, Solvent Accessible Volume, # Recovered number of Electrons in the Void and # Details about the Squeezed Material loop_ _platon_squeeze_void_nr _platon_squeeze_void_average_x _platon_squeeze_void_average_y _platon_squeeze_void_average_z _platon_squeeze_void_volume _platon_squeeze_void_count_electrons _platon_squeeze_void_content 1 0.000 0.000 0.000 131 45 ' ' 2 0.000 0.480 -0.003 1114 217 ' ' 3 0.000 0.500 0.500 129 45 ' ' # Missing Reflections Below sin(th)/lambda = 0.25 loop_ _platon_missing_refln_index_h _platon_missing_refln_index_k _platon_missing_refln_index_l _platon_missing_refln_theta 1 0 0 2.422 1 1 1 3.949 -1 0 2 4.326 2 0 4 10.323 _platon_squeeze_void_probe_radius 1.20 _platon_squeeze_details ) TITL ga-200107c_a.res in P2(1)/c CELL 16.1760 20.1918 19.1978 90.00 101.19 90.00 SPGR P21/c # Solvent Accessible Volume = 1368 # Electrons Found in S.A.V. = 307 # Note: Atoms in Void are Labelled as Cxxx and Qxxx for all Others C101 0.952 0.009 0.056 ! 6.96 eA-3 C102 0.130 0.748 0.240 ! 5.92 eA-3 C103 0.896 0.155 0.372 ! 5.80 eA-3 C104 0.161 0.907 0.429 ! 5.53 eA-3 Q105 0.611 0.296 0.358 ! 5.22 eA-3 C106 0.978 0.471 0.018 ! 4.76 eA-3 C107 0.965 0.484 0.484 ! 3.10 eA-3 Q108 0.816 0.751 0.880 ! 2.96 eA-3 C109 0.076 0.900 0.432 ! 2.96 eA-3 Q110 0.780 0.719 0.393 ! 2.70 eA-3 C111 0.154 0.688 0.196 ! 2.65 eA-3 C112 0.848 0.322 0.140 ! 2.62 eA-3 Q113 0.403 0.826 0.113 ! 2.31 eA-3 C114 0.919 0.408 0.013 ! 2.09 eA-3 Q115 0.173 0.372 0.579 ! 2.02 eA-3 Q116 0.432 0.829 0.149 ! 1.89 eA-3 Q117 0.505 0.173 0.844 ! 1.85 eA-3 Q118 0.106 0.236 0.075 ! 1.83 eA-3 Q119 0.857 0.873 0.875 ! 1.72 eA-3 Q120 0.174 0.251 0.563 ! 1.67 eA-3 Q121 0.061 0.167 0.019 ! 1.39 eA-3 Q122 0.216 0.546 0.064 ! 1.26 eA-3 Q123 0.083 0.042 0.796 ! 1.21 eA-3 Q124 0.546 0.421 0.419 ! 1.21 eA-3 Q125 0.034 0.511 0.172 ! 1.18 eA-3 Q126 0.019 0.018 0.774 ! 1.17 eA-3 Q127 0.940 0.837 0.920 ! 1.15 eA-3 Q128 0.172 0.100 0.188 ! 1.14 eA-3 Q129 0.623 0.238 0.283 ! 1.10 eA-3 Q130 0.705 0.040 0.361 ! 1.09 eA-3 Q131 0.574 0.035 0.348 ! 1.09 eA-3 Q132 0.705 0.446 0.858 ! 1.09 eA-3 Q133 0.578 0.082 0.336 ! 1.08 eA-3 Q134 0.098 0.469 0.179 ! 1.08 eA-3 Q135 0.276 0.076 0.082 ! 1.07 eA-3 Q136 0.812 0.587 0.021 ! 1.04 eA-3 Q137 0.386 0.532 0.035 ! 1.02 eA-3 Q138 0.576 1.005 0.699 ! 0.99 eA-3 Q139 0.720 0.038 0.436 ! 0.98 eA-3 Q140 0.299 0.653 0.744 ! 0.98 eA-3 Q141 0.846 0.846 0.007 ! 0.97 eA-3 Q142 0.737 0.107 0.113 ! 0.93 eA-3 Q143 0.981 0.371 0.116 ! 0.92 eA-3 Q144 0.761 0.166 0.331 ! 0.91 eA-3 Q145 0.703 0.046 0.143 ! 0.91 eA-3 Q146 0.193 0.094 0.732 ! 0.91 eA-3 Q147 0.034 0.922 0.234 ! 0.91 eA-3 Q148 0.720 0.516 0.134 ! 0.90 eA-3 Q149 0.736 0.457 0.615 ! 0.89 eA-3 Q150 0.997 0.800 0.050 ! 0.87 eA-3 Q151 0.160 0.082 0.580 ! 0.86 eA-3 Q152 0.186 0.365 0.434 ! 0.86 eA-3 Q153 0.142 0.049 0.744 ! 0.85 eA-3 Q154 0.880 0.818 0.345 ! 0.85 eA-3 Q155 0.813 0.625 0.719 ! 0.85 eA-3 Q156 0.894 0.905 0.233 ! 0.85 eA-3 Q157 0.999 0.167 0.140 ! 0.84 eA-3 Q158 0.439 0.703 0.028 ! 0.84 eA-3 Q159 0.425 0.622 0.159 ! 0.83 eA-3 Q160 0.549 0.612 0.547 ! 0.83 eA-3 Q161 0.423 0.716 0.156 ! 0.83 eA-3 Q162 0.433 0.469 0.052 ! 0.82 eA-3 Q163 0.544 0.844 0.030 ! 0.82 eA-3 Q164 0.078 0.146 0.206 ! 0.82 eA-3 Q165 0.693 0.014 0.479 ! 0.81 eA-3 Q166 0.644 0.499 0.189 ! 0.81 eA-3 Q167 0.143 0.192 0.036 ! 0.80 eA-3 Q168 0.751 0.042 0.479 ! 0.78 eA-3 Q169 0.093 0.330 0.482 ! 0.77 eA-3 Q170 0.158 0.113 0.422 ! 0.77 eA-3 Q171 0.639 0.590 0.158 ! 0.77 eA-3 Q172 0.154 0.335 0.187 ! 0.77 eA-3 Q173 0.923 0.671 0.580 ! 0.77 eA-3 Q174 0.685 0.451 0.189 ! 0.77 eA-3 Q175 0.749 0.251 0.435 ! 0.77 eA-3 Q176 0.112 0.575 0.741 ! 0.76 eA-3 Q177 0.422 0.934 0.475 ! 0.76 eA-3 Q178 0.123 0.216 0.034 ! 0.75 eA-3 Q179 0.690 0.563 0.154 ! 0.74 eA-3 Q180 0.819 0.047 0.127 ! 0.74 eA-3 Q181 0.638 0.072 0.197 ! 0.73 eA-3 Q182 0.049 0.188 0.943 ! 0.73 eA-3 Q183 0.775 0.097 0.149 ! 0.73 eA-3 Q184 0.221 0.638 0.561 ! 0.72 eA-3 Q185 0.147 0.159 0.466 ! 0.72 eA-3 Q186 0.659 0.541 0.143 ! 0.72 eA-3 Q187 0.730 0.546 0.101 ! 0.72 eA-3 Q188 0.624 0.042 0.950 ! 0.70 eA-3 Q189 0.281 0.075 0.356 ! 0.70 eA-3 Q190 0.750 0.007 0.381 ! 0.70 eA-3 Q191 0.484 0.513 0.037 ! 0.70 eA-3 Q192 0.595 0.421 0.265 ! 0.69 eA-3 Q193 0.390 0.878 0.188 ! 0.68 eA-3 Q194 0.394 0.521 0.099 ! 0.68 eA-3 Q195 0.294 0.562 0.764 ! 0.68 eA-3 Q196 0.292 0.253 0.485 ! 0.68 eA-3 Q197 0.621 0.080 0.136 ! 0.68 eA-3 Q198 0.433 0.981 0.568 ! 0.68 eA-3 Q199 0.390 0.509 0.595 ! 0.67 eA-3 ) ; _shelx_SHELXL_version_number '2014/7' _olex2_submission_special_instructions 'No special instructions were received'