#------------------------------------------------------------------------------ #$Date: 2021-04-28 04:53:10 +0300 (Wed, 28 Apr 2021) $ #$Revision: 264609 $ #$URL: file:///home/coder/svn-repositories/cod/cif/7/70/72/7707218.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/ # # All data on this site have been placed in the public domain by the # contributors. # data_7707218 loop_ _publ_author_name 'Tatarin, Sergei V.' 'Kalle, Paulina' 'Taydakov, Ilya V.' 'Varaksina, Evgenia' 'Korshunov, Vladislav M.' 'Bezzubov, Stanislav' _publ_section_title ; Sterically hindered phenanthroimidazole ligands drive structural flexibility and facile ligand exchange in cyclometalated iridium(III) complexes ; _journal_name_full 'Dalton Transactions' _journal_paper_doi 10.1039/D1DT00820J _journal_year 2021 _chemical_formula_moiety 'C122 H72 F4 Ir2 N8 O4 S, 4.5(C2 H3 N)' _chemical_formula_sum 'C131 H85.5 F4 Ir2 N12.5 O4 S' _chemical_formula_weight 2391.07 _space_group_crystal_system triclinic _space_group_IT_number 2 _space_group_name_Hall '-P 1' _space_group_name_H-M_alt 'P -1' _atom_sites_solution_hydrogens geom _audit_creation_date 2021-03-10 _audit_creation_method ; Olex2 1.3 (compiled Nov 21 2019 18:26:39 for OlexSys, GUI svn.r6003) ; _audit_update_record ; 2021-03-10 deposited with the CCDC. 2021-04-27 downloaded from the CCDC. ; _cell_angle_alpha 104.068(4) _cell_angle_beta 107.253(4) _cell_angle_gamma 93.552(4) _cell_formula_units_Z 2 _cell_length_a 17.471(2) _cell_length_b 17.750(2) _cell_length_c 18.145(2) _cell_measurement_reflns_used 9048 _cell_measurement_temperature 100.0 _cell_measurement_theta_max 28.27 _cell_measurement_theta_min 2.36 _cell_volume 5157.7(10) _computing_cell_refinement 'APEX3 v.2017.3_0 (Bruker AXS, 2017)' _computing_data_collection 'APEX3 v.2017.3_0 (Bruker AXS, 2017)' _computing_data_reduction 'SAINT v8.38A (Bruker AXS, 2016)' _computing_molecular_graphics 'Olex2 1.3 (Dolomanov et al., 2009)' _computing_publication_material 'Olex2 1.3 (Dolomanov et al., 2009)' _computing_structure_refinement 'SHELXL 2018/3 (Sheldrick, 2015)' _computing_structure_solution 'SHELXT 2014/5 (Sheldrick, 2014)' _diffrn_ambient_temperature 100.0 _diffrn_detector 'Bruker PHOTON III CMOS' _diffrn_detector_area_resol_mean 10.4 _diffrn_detector_type 'CMOS sensor' _diffrn_measured_fraction_theta_full 0.999 _diffrn_measured_fraction_theta_max 0.999 _diffrn_measurement_device '3-circle diffractometer' _diffrn_measurement_device_type 'Bruker D8 Venture' _diffrn_measurement_method \w-scan _diffrn_radiation_monochromator 'focusing mirrors' _diffrn_radiation_probe x-ray _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0329 _diffrn_reflns_av_unetI/netI 0.0299 _diffrn_reflns_Laue_measured_fraction_full 0.999 _diffrn_reflns_Laue_measured_fraction_max 0.999 _diffrn_reflns_limit_h_max 21 _diffrn_reflns_limit_h_min -21 _diffrn_reflns_limit_k_max 21 _diffrn_reflns_limit_k_min -21 _diffrn_reflns_limit_l_max 22 _diffrn_reflns_limit_l_min -22 _diffrn_reflns_number 84068 _diffrn_reflns_point_group_measured_fraction_full 0.999 _diffrn_reflns_point_group_measured_fraction_max 0.999 _diffrn_reflns_theta_full 25.242 _diffrn_reflns_theta_max 26.000 _diffrn_reflns_theta_min 1.930 _diffrn_source 'microfocus sealed X-ray tube' _diffrn_source_current 1.4 _diffrn_source_power 0.07 _diffrn_source_type 'Incoatec I\mS microsource' _diffrn_source_voltage 50.0 _diffrn_standards_number 0 _exptl_absorpt_coefficient_mu 2.671 _exptl_absorpt_correction_T_max 0.7457 _exptl_absorpt_correction_T_min 0.6349 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details ; SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.0899 before and 0.0440 after correction. The Ratio of minimum to maximum transmission is 0.8514. The \l/2 correction factor is Not present. ; _exptl_crystal_colour orange _exptl_crystal_colour_primary orange _exptl_crystal_density_diffrn 1.540 _exptl_crystal_description plate _exptl_crystal_F_000 2394 _exptl_crystal_size_max 0.12 _exptl_crystal_size_mid 0.1 _exptl_crystal_size_min 0.03 _refine_diff_density_max 1.963 _refine_diff_density_min -1.802 _refine_diff_density_rms 0.103 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.035 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 1408 _refine_ls_number_reflns 20266 _refine_ls_number_restraints 27 _refine_ls_restrained_S_all 1.039 _refine_ls_R_factor_all 0.0405 _refine_ls_R_factor_gt 0.0297 _refine_ls_shift/su_max 0.003 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0271P)^2^+16.3796P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0694 _refine_ls_wR_factor_ref 0.0748 _reflns_Friedel_coverage 0.000 _reflns_number_gt 17023 _reflns_number_total 20266 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file d1dt00820j2.cif _cod_data_source_block st39h _cod_depositor_comments ; The following automatic conversions were performed: data item '_diffrn_radiation_probe' value 'X-ray' was changed to 'x-ray' in accordance with the /home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic dictionary named 'cif_core.dic' version 2.4.2 last updated on 2011-04-26. Automatic conversion script Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas ; _cod_original_cell_volume 5157.9(10) _cod_original_formula_sum 'C131 H85.50 F4 Ir2 N12.50 O4 S' _cod_database_code 7707218 _shelx_shelxl_version_number 2018/3 _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. ; _shelx_estimated_absorpt_t_max 0.924 _shelx_estimated_absorpt_t_min 0.740 _computing.bruker_data_scaling 'SADABS V2012/1 (Bruker AXS Inc.)' _olex2_refinement_description ; 1. Fixed Uiso At 1.2 times of: All C(H) groups At 1.5 times of: All C(H,H,H) groups 2. Restrained distances N1-C2 1.15 with sigma of 0.01 C1-N2 1.15 with sigma of 0.01 C3-C2 \\sim C5-C1 with sigma of 0.02 3. Uiso/Uaniso restraints and constraints C042 \\sim C041: within 2A with sigma of 0.002 and sigma for terminal atoms of 0.004 within 2A Uanis(C049) \\sim Ueq, Uanis(C04A) \\sim Ueq, Uanis(N04B) \\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.01 Uanis(N1) = Uanis(C2) = Uanis(C3) = Uanis(N2) = Uanis(C1) = Uanis(C5) 4. Others Fixed Sof: C049(0.5) C04A(0.5) H04G(0.5) H04H(0.5) H04I(0.5) N04B(0.5) N1(0.5) C2(0.5) C3(0.5) H3A(0.5) H3B(0.5) H3C(0.5) N2(0.5) C1(0.5) C5(0.5) H5A(0.5) H5B(0.5) H5C(0.5) 5.a Aromatic/amide H refined with riding coordinates: C00S(H00S), C010(H010), C011(H011), C015(H015), C017(H017), C019(H019), C01D(H01D), C01E(H01E), C01H(H01H), C01J(H01J), C01M(H01M), C01S(H01S), C01T(H01T), C01U(H01U), C01X(H01X), C01Z(H01Z), C020(H020), C022(H022), C025(H025), C029(H029), C02A(H02A), C02B(H02B), C02C(H02C), C02E(H02E), C02F(H02F), C02H(H02H), C02J(H02J), C02L(H02L), C02M(H02M), C02N(H02N), C02P(H02P), C02Q(H02Q), C02R(H02R), C02S(H02S), C02T(H02T), C02U(H02U), C02V(H02V), C02W(H02W), C02Y(H02Y), C02Z(H02Z), C030(H030), C031(H031), C032(H032), C033(H033), C034(H034), C035(H035), C037(H037), C038(H038), C03A(H03A), C03B(H03B), C03C(H03C), C03D(H03D), C03E(H03E), C03F(H03F), C03G(H03G), C03H(H03H), C03I(H03I), C03J(H03J), C03K(H03K), C03L(H03L), C03M(H03M), C03N(H03N), C03O(H03O), C03P(H03P), C03Q(H03Q), C03R(H03R), C03T(H03T), C03U(H03U), C03W(H03W), C03X(H03X), C041(H041), C042(H042) 5.b Idealised Me refined as rotating group: C03V(H03S,H03V,H03Y), C043(H04A,H04B,H04C), C044(H04D,H04E,H04F), C04A(H04G, H04H,H04I), C3(H3A,H3B,H3C), C5(H5A,H5B,H5C) ; _shelx_res_file ; TITL st39h_a.res in P-1 st39h.res created by SHELXL-2018/3 at 12:40:41 on 10-Mar-2021 REM Old TITL ST39H in P-1 REM SHELXT solution in P-1 REM R1 0.077, Rweak 0.003, Alpha 0.154, Orientation as input REM Formula found by SHELXT: C126 N16 O4 F6 S Ir2 CELL 0.71073 17.4715 17.7501 18.145 104.068 107.253 93.552 ZERR 2 0.002 0.002 0.0021 0.004 0.004 0.004 LATT 1 SFAC C H F Ir N O S UNIT 262 171 8 4 25 8 2 DFIX 1.15 0.01 N1 C2 EADP N1 C2 C3 N2 C1 C5 ISOR 0.005 0.01 C049 C04A N04B DFIX 1.15 0.01 C1 N2 SIMU 0.002 0.004 2 C042 C041 SADI C3 C2 C5 C1 L.S. 7 PLAN 5 SIZE 0.12 0.1 0.03 TEMP -173.15 CONF list 4 MORE -1 BOND $H fmap 2 acta OMIT -2 52 OMIT 0 -1 1 OMIT 0 0 1 OMIT -1 -1 1 OMIT 1 1 0 OMIT -1 -1 2 OMIT -1 0 1 OMIT 2 1 0 REM REM REM WGHT 0.027100 16.379601 FVAR 0.17995 IR01 4 0.232243 0.227212 0.502060 11.00000 0.01112 0.01498 = 0.01802 0.00378 0.00288 0.00096 IR02 4 0.695139 0.506107 0.890250 11.00000 0.01548 0.01590 = 0.01909 0.00459 0.00471 0.00182 S003 7 0.135480 0.084577 0.724770 11.00000 0.06493 0.07540 = 0.05100 0.03358 0.00617 -0.02774 F004 3 0.197893 0.007087 0.226298 11.00000 0.02895 0.02676 = 0.03107 -0.00348 0.00980 0.01041 O005 6 0.584697 0.494339 0.923072 11.00000 0.01529 0.01915 = 0.01970 0.00307 0.00264 -0.00002 F006 3 0.302050 0.461608 0.380517 11.00000 0.02797 0.03089 = 0.04497 0.02501 0.01243 0.00913 O007 6 0.296289 0.289398 0.626361 11.00000 0.01469 0.02113 = 0.02012 0.00615 0.00327 0.00185 O008 6 0.585101 0.418577 0.807863 11.00000 0.01771 0.02129 = 0.02000 0.00403 0.00510 0.00141 F009 3 0.886572 0.588380 0.729428 11.00000 0.05371 0.03328 = 0.05505 0.02603 0.03927 0.01713 O00A 6 0.156777 0.159082 0.544902 11.00000 0.01499 0.02039 = 0.02542 0.00587 0.00503 -0.00169 F00B 3 0.947147 0.584433 1.162542 11.00000 0.03421 0.03534 = 0.03820 0.00866 -0.01171 0.00585 N00C 5 0.129397 0.280950 0.471996 11.00000 0.01387 0.01711 = 0.02027 0.00374 0.00444 0.00107 N00D 5 0.336984 0.175027 0.518881 11.00000 0.01584 0.01551 = 0.02231 0.00698 0.00484 0.00041 N00E 5 0.665842 0.614520 0.873525 11.00000 0.01715 0.01612 = 0.02238 0.00615 0.00478 0.00186 N00F 5 0.002793 0.268201 0.391388 11.00000 0.01337 0.01688 = 0.02020 0.00254 0.00346 0.00189 N00G 5 0.734040 0.403806 0.910903 11.00000 0.01880 0.01752 = 0.02194 0.00613 0.00553 0.00291 N00H 5 0.470668 0.195923 0.546376 11.00000 0.01351 0.01796 = 0.02607 0.00910 0.00481 0.00243 N00I 5 0.683417 0.743600 0.928440 11.00000 0.02492 0.01794 = 0.03003 0.00634 0.00318 0.00267 N00J 5 0.779459 0.295314 0.860861 11.00000 0.02401 0.01789 = 0.02379 0.00580 0.00848 0.00428 C00K 1 0.299210 0.297974 0.468067 11.00000 0.01516 0.01768 = 0.01447 -0.00150 0.00356 0.00123 C00L 1 0.780193 0.577375 0.983919 11.00000 0.01610 0.02221 = 0.02281 0.00579 0.00549 0.00239 C00M 1 0.099265 0.176175 0.350811 11.00000 0.01484 0.01572 = 0.01999 0.00459 0.00667 0.00185 C00N 1 0.178359 0.162649 0.389751 11.00000 0.01381 0.01589 = 0.02476 0.00777 0.00584 0.00166 C00O 1 0.538975 0.608646 0.754855 11.00000 0.02168 0.02236 = 0.02317 0.00903 0.00924 0.00052 C00P 1 0.399438 0.222504 0.517967 11.00000 0.01448 0.01654 = 0.02185 0.00382 0.00536 0.00181 C00Q 1 0.074621 0.239885 0.402214 11.00000 0.01400 0.01646 = 0.02044 0.00437 0.00622 0.00157 C00R 1 0.604153 0.645938 0.827339 11.00000 0.02174 0.02106 = 0.02472 0.01022 0.00813 0.00267 C00S 1 0.530825 0.528728 0.712998 11.00000 0.02577 0.02441 = 0.02592 0.01099 0.00978 0.00361 AFIX 43 H00S 2 0.571169 0.498067 0.731581 11.00000 -1.20000 AFIX 0 C00T 1 0.549880 0.438176 0.860068 11.00000 0.01738 0.01765 = 0.01959 0.00641 0.00279 0.00339 C00U 1 0.779718 0.659271 0.994586 11.00000 0.01842 0.02159 = 0.02380 0.00680 0.00572 0.00158 C00V 1 0.328480 0.403839 0.415152 11.00000 0.02644 0.01976 = 0.02283 0.01057 0.00670 0.00825 C00W 1 -0.070551 0.234919 0.325168 11.00000 0.01280 0.02240 = 0.02396 -0.00173 0.00285 0.00537 C00X 1 0.012508 0.331515 0.457578 11.00000 0.01965 0.01521 = 0.02284 0.00321 0.00962 0.00105 C00Y 1 0.480839 0.655469 0.724032 11.00000 0.02115 0.02584 = 0.02570 0.01111 0.00951 0.00242 C00Z 1 0.164403 0.063148 0.268030 11.00000 0.02291 0.01606 = 0.02600 0.00333 0.01190 0.00679 C010 1 0.416685 0.355517 0.775017 11.00000 0.02019 0.01697 = 0.01836 0.00490 0.00640 0.00314 AFIX 43 H010 2 0.431865 0.353464 0.728519 11.00000 -1.20000 AFIX 0 C011 1 0.273308 0.357013 0.431443 11.00000 0.01729 0.02172 = 0.02321 0.00441 0.00736 0.00464 AFIX 43 H011 2 0.218061 0.364686 0.417943 11.00000 -1.20000 AFIX 0 C012 1 0.469645 0.396640 0.850326 11.00000 0.01938 0.01716 = 0.02112 0.00385 0.00428 0.00316 C013 1 0.613469 0.725804 0.861742 11.00000 0.02423 0.02267 = 0.02935 0.01143 0.00512 0.00208 C014 1 0.712976 0.675149 0.933561 11.00000 0.01982 0.01983 = 0.02646 0.00622 0.00782 0.00216 C015 1 0.805066 0.550539 0.800549 11.00000 0.02303 0.02329 = 0.02779 0.00983 0.01069 0.00862 AFIX 43 H015 2 0.785552 0.599681 0.805061 11.00000 -1.20000 AFIX 0 C016 1 0.341801 0.317496 0.767547 11.00000 0.02046 0.02206 = 0.02310 0.00740 0.00508 0.00195 C017 1 0.465447 0.494756 0.645867 11.00000 0.02991 0.02679 = 0.02727 0.00704 0.00877 0.00191 AFIX 43 H017 2 0.459148 0.440315 0.619914 11.00000 -1.20000 AFIX 0 C018 1 0.718462 0.819443 0.984946 11.00000 0.02881 0.01787 = 0.03680 0.00620 0.00356 0.00528 C019 1 0.436498 0.337247 0.466731 11.00000 0.01606 0.02693 = 0.02702 0.01110 0.00557 0.00415 AFIX 43 H019 2 0.491677 0.329593 0.477986 11.00000 -1.20000 AFIX 0 C01A 1 0.382492 0.289297 0.485455 11.00000 0.01670 0.01850 = 0.02178 0.00536 0.00523 0.00268 C01B 1 0.548540 0.241195 0.562638 11.00000 0.01150 0.01783 = 0.02532 0.00802 0.00250 0.00212 C01C 1 0.775914 0.372703 0.862815 11.00000 0.01684 0.01858 = 0.02226 0.00449 0.00468 0.00418 C01D 1 0.409172 0.395715 0.431829 11.00000 0.01960 0.02496 = 0.03031 0.01176 0.00939 0.00092 AFIX 43 H01D 2 0.445152 0.429444 0.419652 11.00000 -1.20000 AFIX 0 C01E 1 0.664822 0.425249 1.050199 11.00000 0.02233 0.02462 = 0.01949 0.00901 0.00363 0.00488 AFIX 43 H01E 2 0.682229 0.472469 1.040229 11.00000 -1.20000 AFIX 0 C01F 1 0.675351 0.352531 1.004606 11.00000 0.01994 0.02199 = 0.01922 0.00809 0.00449 0.00628 C01G 1 0.737365 0.277364 0.910665 11.00000 0.02312 0.02055 = 0.02133 0.00695 0.00692 0.00309 C01H 1 0.629737 0.428266 1.108651 11.00000 0.03418 0.02995 = 0.02336 0.00790 0.01014 0.01183 AFIX 43 H01H 2 0.621942 0.477372 1.138641 11.00000 -1.20000 AFIX 0 C01I 1 0.286444 0.270210 0.686357 11.00000 0.01590 0.02446 = 0.02146 0.00695 0.00448 0.00475 C01J 1 0.836634 0.714236 1.060067 11.00000 0.02172 0.02031 = 0.03285 0.00611 0.00293 -0.00033 AFIX 43 H01J 2 0.835966 0.768805 1.065755 11.00000 -1.20000 AFIX 0 C01K 1 -0.046158 0.378023 0.479848 11.00000 0.02039 0.01672 = 0.02685 0.00831 0.01200 0.00472 C01L 1 0.777727 0.496015 0.833548 11.00000 0.01639 0.02319 = 0.01687 0.00574 0.00428 0.00210 C01M 1 0.515690 -0.033620 0.658136 11.00000 0.02025 0.02362 = 0.02991 0.01051 0.00525 0.00622 AFIX 43 H01M 2 0.491334 -0.074814 0.672448 11.00000 -1.20000 AFIX 0 C01N 1 0.091959 0.340448 0.506311 11.00000 0.01878 0.01484 = 0.02108 0.00481 0.00695 0.00312 C01O 1 0.113584 0.105684 0.634056 11.00000 0.02506 0.02401 = 0.03179 0.00938 0.01043 0.00153 C01P 1 0.716936 0.204040 0.926205 11.00000 0.02591 0.02197 = 0.02317 0.00807 0.00525 0.00224 C01Q 1 -0.016379 0.437401 0.554119 11.00000 0.02828 0.01851 = 0.02716 0.00921 0.01549 0.00398 C01R 1 0.377273 -0.004748 0.591447 11.00000 0.02073 0.01989 = 0.02157 0.00536 0.00790 0.00447 C01S 1 0.416753 0.618791 0.653133 11.00000 0.01874 0.03480 = 0.02953 0.01225 0.00604 0.00593 AFIX 43 H01S 2 0.378300 0.649292 0.630511 11.00000 -1.20000 AFIX 0 C01T 1 0.372942 0.363889 0.911440 11.00000 0.02897 0.03005 = 0.02610 0.00422 0.01359 -0.00307 AFIX 43 H01T 2 0.357519 0.367004 0.957967 11.00000 -1.20000 AFIX 0 C01U 1 0.055247 0.134522 0.271619 11.00000 0.01524 0.02152 = 0.02367 0.00459 0.00392 0.00485 AFIX 43 H01U 2 0.002849 0.145779 0.246822 11.00000 -1.20000 AFIX 0 C01V 1 0.808784 0.423393 0.824535 11.00000 0.02024 0.01977 = 0.02148 0.00554 0.00511 0.00218 C01W 1 0.068721 0.450879 0.602898 11.00000 0.02981 0.01772 = 0.02297 0.00659 0.01186 0.00365 C01X 1 -0.119158 0.172172 0.328198 11.00000 0.01996 0.02371 = 0.02599 0.00215 0.00706 0.00298 AFIX 43 H01X 2 -0.103503 0.150033 0.372183 11.00000 -1.20000 AFIX 0 C01Y 1 0.466116 0.012479 0.617418 11.00000 0.02171 0.01936 = 0.02180 0.00358 0.00638 0.00399 C01Z 1 0.320113 0.323438 0.837076 11.00000 0.02174 0.03248 = 0.02995 0.00720 0.01110 -0.00271 AFIX 43 H01Z 2 0.268337 0.299249 0.832779 11.00000 -1.20000 AFIX 0 C020 1 -0.072627 0.483119 0.577690 11.00000 0.03710 0.01966 = 0.03219 0.00670 0.02215 0.00582 AFIX 43 H020 2 -0.054255 0.524349 0.626153 11.00000 -1.20000 AFIX 0 C021 1 0.654103 0.282207 1.022713 11.00000 0.02502 0.02584 = 0.02263 0.00927 0.00673 0.00484 C022 1 0.448376 0.400036 0.918800 11.00000 0.02588 0.02203 = 0.02073 0.00438 0.00569 0.00121 AFIX 43 H022 2 0.485242 0.426916 0.970239 11.00000 -1.20000 AFIX 0 C023 1 0.452174 0.126304 0.564805 11.00000 0.01904 0.01613 = 0.02145 0.00347 0.00575 0.00375 C024 1 0.712130 0.346139 0.942907 11.00000 0.01820 0.02004 = 0.01986 0.00496 0.00070 -0.00043 C025 1 0.645119 0.355288 0.639210 11.00000 0.02499 0.02090 = 0.02906 0.00324 0.00047 -0.00086 AFIX 43 H025 2 0.663191 0.401228 0.683122 11.00000 -1.20000 AFIX 0 C026 1 0.169874 0.161124 0.617797 11.00000 0.01523 0.02076 = 0.02936 0.00849 0.00820 0.00265 C027 1 0.124657 0.404360 0.577836 11.00000 0.02486 0.01710 = 0.01968 0.00511 0.00646 0.00247 C028 1 0.487402 0.738634 0.766104 11.00000 0.02092 0.02514 = 0.02980 0.01379 0.00857 0.00502 C029 1 0.574777 0.306660 0.628245 11.00000 0.01905 0.02294 = 0.02392 0.00704 0.00501 0.00493 AFIX 43 H029 2 0.545344 0.318155 0.665048 11.00000 -1.20000 AFIX 0 C02A 1 0.207638 0.424105 0.620849 11.00000 0.02636 0.01941 = 0.02794 0.00481 0.00406 0.00272 AFIX 43 H02A 2 0.245144 0.395660 0.601264 11.00000 -1.20000 AFIX 0 C02B 1 0.088340 0.076751 0.229431 11.00000 0.02464 0.02123 = 0.01873 0.00214 0.00494 0.00215 AFIX 43 H02B 2 0.059381 0.047648 0.175741 11.00000 -1.20000 AFIX 0 C02C 1 -0.153050 0.469905 0.532813 11.00000 0.03192 0.02531 = 0.05011 0.01461 0.02682 0.01234 AFIX 43 H02C 2 -0.189627 0.500979 0.551051 11.00000 -1.20000 AFIX 0 C02D 1 0.328486 0.044207 0.552585 11.00000 0.01981 0.01774 = 0.02161 0.00536 0.00783 0.00378 C02E 1 0.209545 0.103275 0.345764 11.00000 0.01545 0.01947 = 0.02593 0.00555 0.00500 0.00435 AFIX 43 H02E 2 0.261642 0.090719 0.369447 11.00000 -1.20000 AFIX 0 C02F 1 0.866043 0.408151 0.785209 11.00000 0.02259 0.02219 = 0.02875 0.00788 0.00862 0.00623 AFIX 43 H02F 2 0.886635 0.359526 0.780394 11.00000 -1.20000 AFIX 0 C02G 1 0.369171 0.113743 0.546066 11.00000 0.01813 0.01714 = 0.01879 0.00564 0.00560 0.00367 C02H 1 0.893427 0.689091 1.116053 11.00000 0.02229 0.02717 = 0.02996 0.00024 -0.00109 -0.00440 AFIX 43 H02H 2 0.932859 0.725547 1.160328 11.00000 -1.20000 AFIX 0 C02I 1 0.860708 0.533023 0.761171 11.00000 0.03021 0.02509 = 0.03038 0.01366 0.01313 0.00351 C02J 1 0.589324 0.086605 0.619168 11.00000 0.02037 0.01963 = 0.03660 0.00716 0.00798 0.00105 AFIX 43 H02J 2 0.614998 0.127719 0.605807 11.00000 -1.20000 AFIX 0 C02K 1 0.504436 0.075653 0.599565 11.00000 0.01864 0.01903 = 0.02224 0.00511 0.00603 0.00571 C02L 1 0.099972 0.510278 0.676461 11.00000 0.04002 0.02427 = 0.02520 0.00305 0.01396 0.00981 AFIX 43 H02L 2 0.063763 0.540461 0.696454 11.00000 -1.20000 AFIX 0 C02M 1 -0.091199 0.267449 0.260909 11.00000 0.02684 0.02417 = 0.02830 0.00731 0.00626 0.00937 AFIX 43 H02M 2 -0.056367 0.309741 0.259077 11.00000 -1.20000 AFIX 0 C02N 1 0.207607 -0.044988 0.528281 11.00000 0.01831 0.02377 = 0.03203 0.00838 0.00700 0.00035 AFIX 43 H02N 2 0.150541 -0.059521 0.505931 11.00000 -1.20000 AFIX 0 C02O 1 0.814379 0.243440 0.810074 11.00000 0.02907 0.01552 = 0.03378 0.00538 0.01716 0.00391 C02P 1 0.408308 0.540540 0.615938 11.00000 0.02016 0.03732 = 0.02659 0.00550 0.00254 0.00089 AFIX 43 H02P 2 0.363178 0.517131 0.569336 11.00000 -1.20000 AFIX 0 C02Q 1 0.243802 0.021899 0.519579 11.00000 0.01916 0.01947 = 0.02612 0.00511 0.00461 0.00303 AFIX 43 H02Q 2 0.211525 0.053337 0.491114 11.00000 -1.20000 AFIX 0 C02R 1 0.837941 0.553430 1.042199 11.00000 0.02236 0.02102 = 0.02695 0.00574 0.00477 0.00315 AFIX 43 H02R 2 0.840117 0.499209 1.037686 11.00000 -1.20000 AFIX 0 C02S 1 0.647838 0.135979 0.994127 11.00000 0.03849 0.02452 = 0.02718 0.00984 0.01164 0.00105 AFIX 43 H02S 2 0.617152 0.136598 1.029554 11.00000 -1.20000 AFIX 0 C02T 1 -0.181075 0.411465 0.461066 11.00000 0.01859 0.02838 = 0.05150 0.01333 0.01383 0.00731 AFIX 43 H02T 2 -0.236881 0.402626 0.430303 11.00000 -1.20000 AFIX 0 C02U 1 0.254590 -0.091471 0.569867 11.00000 0.02463 0.02211 = 0.03598 0.00947 0.01268 0.00216 AFIX 43 H02U 2 0.229359 -0.136917 0.577009 11.00000 -1.20000 AFIX 0 C02V 1 0.781006 0.862937 0.974856 11.00000 0.03526 0.02144 = 0.05000 0.00747 0.00769 0.00144 AFIX 43 H02V 2 0.800280 0.843914 0.931020 11.00000 -1.20000 AFIX 0 C02W 1 0.235552 0.483570 0.690482 11.00000 0.03302 0.02654 = 0.02816 0.00153 -0.00219 0.00192 AFIX 43 H02W 2 0.291981 0.496210 0.718818 11.00000 -1.20000 AFIX 0 C02X 1 0.891358 0.609280 1.105922 11.00000 0.02137 0.03167 = 0.02636 0.00983 -0.00017 0.00614 C02Y 1 0.618056 0.288160 1.083308 11.00000 0.04124 0.03073 = 0.03830 0.01698 0.02083 0.00724 AFIX 43 H02Y 2 0.602205 0.242045 1.096073 11.00000 -1.20000 AFIX 0 C02Z 1 0.591525 0.221980 0.509787 11.00000 0.02247 0.02161 = 0.02708 0.00254 0.00917 0.00216 AFIX 43 H02Z 2 0.572953 0.176606 0.465258 11.00000 -1.20000 AFIX 0 C030 1 0.635635 0.039059 0.657175 11.00000 0.01505 0.02771 = 0.04865 0.01035 0.00594 0.01030 AFIX 43 H030 2 0.692804 0.046808 0.669401 11.00000 -1.20000 AFIX 0 C031 1 0.337293 -0.071675 0.600532 11.00000 0.02839 0.02172 = 0.02768 0.01119 0.01138 0.00780 AFIX 43 H031 2 0.368445 -0.104005 0.628668 11.00000 -1.20000 AFIX 0 C032 1 0.598256 -0.020807 0.677795 11.00000 0.02528 0.02854 = 0.03630 0.01562 0.00646 0.01251 AFIX 43 H032 2 0.630273 -0.052838 0.705620 11.00000 -1.20000 AFIX 0 C033 1 0.688981 0.337244 0.586622 11.00000 0.01801 0.02760 = 0.04034 0.01264 0.00446 -0.00116 AFIX 43 H033 2 0.736923 0.370694 0.594298 11.00000 -1.20000 AFIX 0 C034 1 0.689226 0.846306 1.047624 11.00000 0.04012 0.03642 = 0.04009 0.00650 0.00858 0.01315 AFIX 43 H034 2 0.646562 0.815313 1.053974 11.00000 -1.20000 AFIX 0 C035 1 0.431703 0.861332 0.782061 11.00000 0.03480 0.03468 = 0.04027 0.02164 0.01289 0.01540 AFIX 43 H035 2 0.388402 0.889784 0.765704 11.00000 -1.20000 AFIX 0 C036 1 0.556020 0.775540 0.833998 11.00000 0.02878 0.02026 = 0.03925 0.01240 0.00986 0.00445 C037 1 -0.128966 0.366168 0.433962 11.00000 0.02007 0.02282 = 0.03755 0.00713 0.01015 0.00482 AFIX 43 H037 2 -0.148642 0.326724 0.384195 11.00000 -1.20000 AFIX 0 C038 1 0.605518 0.359386 1.124086 11.00000 0.04222 0.03524 = 0.03487 0.01509 0.02443 0.01134 AFIX 43 H038 2 0.579731 0.361755 1.163743 11.00000 -1.20000 AFIX 0 C039 1 0.672649 0.207533 0.980796 11.00000 0.02700 0.02349 = 0.02315 0.00783 0.00457 0.00226 C03A 1 0.885314 0.215882 0.841956 11.00000 0.02791 0.02335 = 0.04777 0.00971 0.01297 0.00660 AFIX 43 H03A 2 0.912494 0.231088 0.898196 11.00000 -1.20000 AFIX 0 C03B 1 0.180963 0.525598 0.719779 11.00000 0.05062 0.02594 = 0.02398 -0.00235 0.00236 0.00814 AFIX 43 H03B 2 0.199851 0.564833 0.769724 11.00000 -1.20000 AFIX 0 C03C 1 -0.213140 0.174843 0.202736 11.00000 0.02253 0.04580 = 0.03009 -0.00185 -0.00339 0.00344 AFIX 43 H03C 2 -0.262972 0.154538 0.160748 11.00000 -1.20000 AFIX 0 C03D 1 -0.163714 0.236999 0.199381 11.00000 0.02980 0.04346 = 0.02856 0.00977 0.00076 0.01473 AFIX 43 H03D 2 -0.179334 0.258773 0.155130 11.00000 -1.20000 AFIX 0 C03E 1 0.734524 0.130730 0.888401 11.00000 0.04311 0.02221 = 0.03349 0.00738 0.01740 0.00640 AFIX 43 H03E 2 0.763668 0.128081 0.851405 11.00000 -1.20000 AFIX 0 C03F 1 -0.191318 0.141868 0.265967 11.00000 0.02224 0.03504 = 0.03600 -0.00270 0.00674 -0.00208 AFIX 43 H03F 2 -0.225459 0.098614 0.266998 11.00000 -1.20000 AFIX 0 C03G 1 0.892903 0.463836 0.753176 11.00000 0.02699 0.02901 = 0.03163 0.01439 0.01506 0.00735 AFIX 43 H03G 2 0.932195 0.454576 0.726605 11.00000 -1.20000 AFIX 0 C03H 1 0.666637 0.065986 0.957630 11.00000 0.05257 0.02077 = 0.03473 0.01140 0.01469 0.00134 AFIX 43 H03H 2 0.649966 0.019133 0.968687 11.00000 -1.20000 AFIX 0 C03I 1 0.775510 0.222763 0.727486 11.00000 0.03087 0.02583 = 0.03084 0.00397 0.01385 0.00283 AFIX 43 H03I 2 0.726755 0.242312 0.706111 11.00000 -1.20000 AFIX 0 C03J 1 0.230336 0.209528 0.684254 11.00000 0.02577 0.03321 = 0.02314 0.00892 0.00513 -0.00552 AFIX 43 H03J 2 0.233878 0.200116 0.734432 11.00000 -1.20000 AFIX 0 C03K 1 0.662729 0.270532 0.523118 11.00000 0.02285 0.03408 = 0.03667 0.01439 0.01462 0.00714 AFIX 43 H03K 2 0.693670 0.257471 0.487909 11.00000 -1.20000 AFIX 0 C03L 1 0.039892 0.065857 0.582455 11.00000 0.02911 0.03211 = 0.06013 0.01532 0.01789 -0.00443 AFIX 43 H03L 2 0.016066 0.070299 0.529626 11.00000 -1.20000 AFIX 0 C03M 1 0.500581 0.898434 0.845052 11.00000 0.04856 0.02231 = 0.05202 0.01241 0.00790 0.01181 AFIX 43 H03M 2 0.505705 0.952887 0.870398 11.00000 -1.20000 AFIX 0 C03N 1 0.916562 0.165012 0.789822 11.00000 0.02875 0.02521 = 0.08196 0.01783 0.02316 0.01145 AFIX 43 H03N 2 0.964390 0.143942 0.810827 11.00000 -1.20000 AFIX 0 C03O 1 0.709929 0.063366 0.904599 11.00000 0.06019 0.01992 = 0.03536 0.00919 0.01995 0.00815 AFIX 43 H03O 2 0.722713 0.014593 0.879229 11.00000 -1.20000 AFIX 0 C03P 1 0.425651 0.783576 0.743085 11.00000 0.02714 0.03262 = 0.02982 0.01378 0.00850 0.00716 AFIX 43 H03P 2 0.378294 0.759330 0.699190 11.00000 -1.20000 AFIX 0 C03Q 1 0.047129 0.022566 0.693619 11.00000 0.05034 0.04118 = 0.06157 0.02487 0.03000 -0.00545 AFIX 43 H03Q 2 0.030863 -0.004893 0.726618 11.00000 -1.20000 AFIX 0 C03R 1 0.561908 0.856244 0.871073 11.00000 0.04096 0.02363 = 0.04704 0.00991 -0.00365 0.00610 AFIX 43 H03R 2 0.608913 0.882015 0.914724 11.00000 -1.20000 AFIX 0 C03S 1 -0.055219 0.375634 0.069829 11.00000 0.03742 0.04884 = 0.06678 0.01997 0.01152 0.00848 C03T 1 0.815366 0.935592 1.030557 11.00000 0.04559 0.02659 = 0.06735 0.01207 0.00802 -0.00096 AFIX 43 H03T 2 0.859249 0.966125 1.025617 11.00000 -1.20000 AFIX 0 C03U 1 0.003447 0.016487 0.618865 11.00000 0.03675 0.03600 = 0.06014 0.01059 0.02050 -0.00864 AFIX 43 H03U 2 -0.046812 -0.016970 0.591867 11.00000 -1.20000 AFIX 0 C03V 1 -0.018607 -0.284329 0.334680 11.00000 0.06779 0.03609 = 0.04321 0.01141 0.01842 -0.00100 AFIX 137 H03S 2 -0.025676 -0.250931 0.298049 11.00000 -1.50000 H03V 2 -0.071047 -0.299918 0.340066 11.00000 -1.50000 H03Y 2 0.003167 -0.331279 0.313206 11.00000 -1.50000 AFIX 0 C03W 1 0.878170 0.145436 0.708195 11.00000 0.04964 0.02592 = 0.06356 0.00269 0.03668 0.00346 AFIX 43 H03W 2 0.900644 0.111879 0.673323 11.00000 -1.20000 AFIX 0 C03X 1 0.808131 0.173536 0.676451 11.00000 0.04726 0.02369 = 0.03873 -0.00522 0.02050 -0.00615 AFIX 43 H03X 2 0.782110 0.159476 0.620037 11.00000 -1.20000 AFIX 0 C03Y 1 0.036155 -0.242037 0.411190 11.00000 0.06296 0.03766 = 0.03826 0.01480 0.01463 -0.01083 N03Z 5 0.078903 -0.207470 0.472050 11.00000 0.11408 0.07133 = 0.05220 0.02530 -0.00218 -0.05120 N040 5 -0.100890 0.353785 0.095880 11.00000 0.05999 0.09568 = 0.14846 0.07660 0.04763 0.02426 C041 1 0.722779 0.919110 1.101355 11.00000 0.06715 0.03711 = 0.04791 -0.00374 0.00811 0.01284 AFIX 43 H041 2 0.702441 0.938833 1.144279 11.00000 -1.20000 AFIX 0 C042 1 0.785248 0.962571 1.092520 11.00000 0.06976 0.03468 = 0.05109 -0.00626 0.00242 0.01417 AFIX 43 H042 2 0.808224 1.012268 1.129854 11.00000 -1.20000 AFIX 0 C043 1 0.001980 0.404994 0.037120 11.00000 0.04816 0.07309 = 0.05597 0.00836 0.01771 -0.00712 AFIX 137 H04A 2 -0.026437 0.408428 -0.017071 11.00000 -1.50000 H04B 2 0.042394 0.369366 0.034768 11.00000 -1.50000 H04C 2 0.029035 0.457233 0.071332 11.00000 -1.50000 AFIX 0 C044 1 0.490277 0.819058 1.205548 11.00000 0.09882 0.06623 = 0.04721 0.00282 0.00216 0.04024 AFIX 137 H04D 2 0.473352 0.772983 1.158771 11.00000 -1.50000 H04E 2 0.442286 0.838543 1.216265 11.00000 -1.50000 H04F 2 0.523612 0.804463 1.252373 11.00000 -1.50000 AFIX 0 C046 1 0.536944 0.879923 1.189638 11.00000 0.10234 0.08041 = 0.06693 0.02810 0.03698 0.05328 N047 5 0.573827 0.929722 1.178502 11.00000 0.16527 0.11682 = 0.14913 0.07081 0.09730 0.08268 C049 1 1.035149 0.890681 0.998227 10.50000 0.05027 0.04776 = 0.03613 0.00909 0.00359 0.03049 C04A 1 1.068188 0.853628 0.942087 10.50000 0.08992 0.03481 = 0.02520 0.02151 0.01633 0.02081 AFIX 137 H04G 2 1.068865 0.885649 0.905186 10.50000 -1.50000 H04H 2 1.035666 0.802344 0.911904 10.50000 -1.50000 H04I 2 1.123688 0.846363 0.968978 10.50000 -1.50000 AFIX 0 N04B 5 1.013905 0.922366 1.043715 10.50000 0.04369 0.10394 = 0.06189 -0.02435 -0.00638 0.03105 PART 1 N1 5 0.216661 0.247857 0.229824 10.50000 0.14252 0.04336 = 0.08038 0.00436 0.07191 -0.01078 C2 1 0.154720 0.249113 0.182605 10.50000 0.14252 0.04336 = 0.08038 0.00436 0.07191 -0.01078 C3 1 0.087514 0.254392 0.118226 10.50000 0.14252 0.04336 = 0.08038 0.00436 0.07191 -0.01078 AFIX 137 H3A 2 0.104551 0.253375 0.071214 10.50000 -1.50000 H3B 2 0.066357 0.303560 0.133830 10.50000 -1.50000 H3C 2 0.045123 0.209894 0.105081 10.50000 -1.50000 AFIX 0 PART 0 PART 2 N2 5 0.312929 0.221753 0.271016 10.50000 0.14252 0.04336 = 0.08038 0.00436 0.07191 -0.01078 C1 1 0.249413 0.234934 0.231755 10.50000 0.14252 0.04336 = 0.08038 0.00436 0.07191 -0.01078 C5 1 0.170713 0.248016 0.179680 10.50000 0.14252 0.04336 = 0.08038 0.00436 0.07191 -0.01078 AFIX 137 H5A 2 0.141246 0.197836 0.142334 10.50000 -1.50000 H5B 2 0.180632 0.284163 0.149301 10.50000 -1.50000 H5C 2 0.138413 0.270666 0.213100 10.50000 -1.50000 AFIX 0 HKLF 4 REM st39h_a.res in P-1 REM wR2 = 0.0748, GooF = S = 1.035, Restrained GooF = 1.039 for all data REM R1 = 0.0297 for 17023 Fo > 4sig(Fo) and 0.0405 for all 20266 data REM 1408 parameters refined using 27 restraints END WGHT 0.0270 16.4083 REM Highest difference peak 1.963, deepest hole -1.802, 1-sigma level 0.103 Q1 1 0.7040 0.5253 0.9470 11.00000 0.05 1.96 Q2 1 0.2351 0.2315 0.4642 11.00000 0.05 1.80 Q3 1 0.0984 0.1294 0.7308 11.00000 0.05 1.37 Q4 1 0.9999 0.8660 1.0035 11.00000 0.05 1.16 Q5 1 0.8376 0.2152 0.7209 11.00000 0.05 1.14 ; _shelx_res_checksum 68031 _shelx_hkl_file ; -2 0 0 2812.42 58.49 -2 0 0 2810.32 58.59 -2 0 0 2777.62 58.29 2 0 0 2836.92 58.69 -3 0 0 27.10 2.60 -3 0 0 28.00 2.30 -3 0 0 29.40 2.30 -3 0 0 27.40 2.00 3 0 0 27.30 2.60 3 0 0 25.10 2.00 -4 0 0 188.38 6.30 -4 0 0 194.48 6.10 -4 0 0 182.18 5.40 -4 0 0 184.88 6.50 4 0 0 199.18 6.80 4 0 0 189.28 5.50 -5 0 0 85.29 4.20 -5 0 0 74.59 3.40 -5 0 0 78.99 4.20 -5 0 0 80.69 4.60 5 0 0 75.39 4.60 5 0 0 76.99 3.60 -6 0 0 73.09 4.40 -6 0 0 77.69 4.60 -6 0 0 68.79 3.60 -6 0 0 80.99 5.10 6 0 0 71.99 3.80 6 0 0 71.79 4.90 -7 0 0 11.00 3.20 -7 0 0 7.40 2.00 -7 0 0 8.60 2.40 -7 0 0 8.00 2.60 7 0 0 8.10 3.10 7 0 0 7.60 2.30 -8 0 0 224.18 9.00 -8 0 0 230.68 9.90 -8 0 0 229.98 7.70 -8 0 0 229.58 9.00 8 0 0 222.98 8.00 8 0 0 217.28 9.90 -9 0 0 747.33 21.10 -9 0 0 689.43 17.80 -9 0 0 741.03 19.80 -9 0 0 717.93 20.20 9 0 0 734.13 18.40 9 0 0 718.53 21.40 -10 0 0 383.76 11.50 -10 0 0 414.26 13.90 -10 0 0 397.36 13.40 -10 0 0 403.66 14.60 10 0 0 383.86 12.00 10 0 0 398.56 15.00 -11 0 0 916.31 22.50 -11 0 0 900.21 26.00 -11 0 0 957.50 25.70 -11 0 0 916.11 24.80 11 0 0 915.91 23.10 11 0 0 900.31 27.00 -12 0 0 37.70 4.20 -12 0 0 43.10 6.40 -12 0 0 42.30 5.60 -12 0 0 46.90 6.00 12 0 0 35.00 4.30 12 0 0 28.60 5.70 -13 0 0 867.01 22.10 -13 0 0 885.61 25.00 -13 0 0 818.62 25.00 -13 0 0 877.51 26.50 13 0 0 865.11 27.50 13 0 0 864.51 22.90 -14 0 0 -5.30 4.40 -14 0 0 -4.40 2.80 -14 0 0 -1.90 3.60 -14 0 0 0.40 3.40 14 0 0 -4.10 3.20 14 0 0 2.70 4.50 -15 0 0 497.75 18.10 -15 0 0 450.65 17.30 -15 0 0 433.96 14.40 -15 0 0 464.35 19.10 15 0 0 444.16 15.30 -16 0 0 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211.78 13.10 -14 -5 0 207.78 9.70 14 5 0 217.38 13.70 14 5 0 203.88 11.80 -15 -5 0 93.29 10.10 -15 -5 0 73.49 7.70 -15 -5 0 93.59 7.30 -15 -5 0 77.79 7.40 15 5 0 87.49 8.60 -16 -5 0 0.70 3.50 -16 -5 0 -5.70 4.20 -16 -5 0 -3.30 3.70 -16 -5 0 4.80 5.60 16 5 0 -2.90 4.40 -17 -5 0 4.50 3.90 -17 -5 0 1.20 4.10 -17 -5 0 -1.80 4.30 -17 -5 0 0.10 5.50 17 5 0 0.60 4.90 -18 -5 0 31.20 6.00 -18 -5 0 28.50 7.60 -18 -5 0 46.00 6.30 -18 -5 0 32.60 6.40 18 5 0 28.80 6.40 -19 -5 0 76.99 8.40 -19 -5 0 54.09 9.70 -19 -5 0 69.69 7.50 19 5 0 67.59 9.10 -20 -5 0 33.70 7.00 -20 -5 0 47.00 9.50 20 5 0 22.80 6.80 -21 6 0 242.98 17.20 -20 6 0 -12.10 5.50 -20 6 0 5.70 5.80 -19 6 0 272.77 16.30 -19 6 0 264.37 22.20 -18 6 0 53.89 9.60 -18 6 0 57.49 9.40 -17 6 0 72.39 9.50 -17 6 0 75.79 10.60 16 -6 0 6.80 3.30 -16 6 0 0.90 6.10 -16 6 0 6.90 5.40 15 -6 0 15.40 3.80 15 -6 0 0.80 5.40 -15 6 0 10.00 5.60 -15 6 0 15.50 4.80 -15 6 0 7.80 4.80 -14 6 0 7.90 5.80 -14 6 0 12.40 3.20 -14 6 0 6.50 5.10 -14 6 0 12.30 5.20 13 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1284.17 32.60 7 6 0 1343.77 32.00 7 6 0 1297.87 33.00 -8 -6 0 64.89 6.90 -8 -6 0 78.69 6.10 8 6 0 72.59 6.60 8 6 0 73.09 6.90 -9 -6 0 521.95 16.40 -9 -6 0 528.75 17.70 9 6 0 522.15 18.20 9 6 0 544.85 16.80 -10 -6 0 157.58 8.90 -10 -6 0 169.08 10.30 10 6 0 162.48 10.30 10 6 0 183.28 10.00 -11 -6 0 249.08 11.10 -11 -6 0 232.58 12.60 11 6 0 263.27 12.20 11 6 0 225.78 12.40 -12 -6 0 32.50 5.00 12 6 0 24.70 5.60 12 6 0 32.40 6.00 -13 -6 0 16.50 4.40 -13 -6 0 11.30 5.70 13 6 0 12.30 5.30 13 6 0 21.30 6.10 -14 -6 0 41.20 5.60 -14 -6 0 46.90 7.70 14 6 0 32.70 6.60 14 6 0 34.90 8.30 -15 -6 0 79.79 10.10 -15 -6 0 93.29 7.10 15 6 0 82.99 8.50 -16 -6 0 128.09 12.20 -16 -6 0 125.09 9.20 16 6 0 152.58 11.30 -17 -6 0 22.30 7.20 -17 -6 0 25.20 5.50 -17 -6 0 37.60 5.50 -17 -6 0 17.70 5.10 17 6 0 19.50 6.40 -18 -6 0 374.26 14.50 -18 -6 0 356.26 14.10 -18 -6 0 365.06 19.00 18 6 0 391.76 17.50 -19 -6 0 22.90 6.10 -19 -6 0 28.90 5.60 19 6 0 28.40 6.80 -20 -6 0 279.77 14.30 -20 -6 0 346.47 17.10 20 6 0 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8.70 -12 -6 3 98.79 6.60 -12 -6 3 106.09 7.90 -12 -6 3 98.59 6.50 -12 -6 3 92.99 9.10 11 6 -3 0.10 3.10 11 6 -3 -1.70 3.00 -11 -6 3 -0.80 3.70 -11 -6 3 -0.80 2.80 10 6 -3 0.00 2.10 10 6 -3 0.30 3.40 10 6 -3 -1.90 3.40 -10 -6 3 3.50 3.20 -10 -6 3 -1.70 3.40 -10 -6 3 -3.10 2.20 9 6 -3 84.09 7.30 9 6 -3 92.29 7.30 9 6 -3 84.49 5.30 -9 -6 3 82.89 5.10 -9 -6 3 88.39 6.40 -9 -6 3 89.59 7.80 8 6 -3 32.70 5.10 8 6 -3 29.00 4.60 8 6 -3 36.90 3.60 -8 -6 3 32.10 4.20 -8 -6 3 33.60 5.20 -8 -6 3 33.00 3.40 7 6 -3 127.99 7.70 7 6 -3 117.19 5.50 7 6 -3 121.89 7.60 -7 -6 3 114.99 5.30 -7 -6 3 112.19 7.90 -7 -6 3 143.99 8.50 6 6 -3 580.74 17.00 6 6 -3 564.94 16.50 -6 -6 3 550.14 16.10 -6 -6 3 587.34 17.40 -6 -6 3 564.94 14.10 5 6 -3 1983.80 42.90 5 6 -3 1989.60 45.10 5 6 -3 2044.70 45.80 -5 -6 3 2001.00 46.10 -5 -6 3 1956.40 44.90 -5 -6 3 1972.40 42.70 4 6 -3 273.97 9.70 4 6 -3 261.87 9.70 4 6 -3 261.57 7.70 -4 -6 3 274.07 9.40 -4 -6 3 250.67 10.50 -4 -6 3 272.17 7.90 3 6 -3 5475.95 114.19 3 6 -3 5407.76 112.39 3 6 -3 5483.15 114.89 -3 -6 3 5365.96 114.09 -3 -6 3 5430.06 112.69 -3 -6 3 5410.76 115.39 2 6 -3 180.58 5.90 2 6 -3 163.38 7.20 -2 -6 3 175.88 6.20 -2 -6 3 185.08 6.80 -2 -6 3 176.18 7.80 1 6 -3 3133.89 66.29 1 6 -3 3113.09 68.09 1 6 -3 3093.99 66.79 -1 -6 3 3115.79 66.89 -1 -6 3 3185.48 68.79 -1 -6 3 3178.48 66.89 0 6 -3 84.09 4.60 0 6 -3 80.49 5.30 0 6 -3 90.69 4.50 0 -6 3 91.09 5.80 0 -6 3 88.89 4.90 0 -6 3 95.39 4.50 -1 6 -3 1269.27 28.10 -1 6 -3 1263.17 30.60 -1 6 -3 1246.18 29.30 1 -6 3 1259.97 31.00 1 -6 3 1257.07 28.30 1 -6 3 1305.67 30.00 -2 6 -3 458.65 11.50 -2 6 -3 465.95 13.30 -2 6 -3 445.46 14.10 -2 6 -3 467.25 13.90 2 -6 3 462.25 11.60 2 -6 3 454.45 13.60 2 -6 3 460.25 14.60 -3 6 -3 71.99 5.70 -3 6 -3 67.09 5.00 -3 6 -3 77.09 3.60 -3 6 -3 79.99 5.70 3 -6 3 67.49 5.40 3 -6 3 74.39 3.70 -4 6 -3 2.40 3.10 -4 6 -3 1.50 2.40 -4 6 -3 2.30 2.40 4 -6 3 3.40 2.60 -5 6 -3 38.30 4.80 -5 6 -3 45.10 5.70 5 -6 3 36.90 4.60 5 -6 3 39.00 5.30 -6 6 -3 214.08 9.80 -6 6 -3 237.38 10.80 6 -6 3 227.18 10.60 6 -6 3 218.08 10.10 -7 6 -3 455.75 16.10 -7 6 -3 459.85 15.80 7 -6 3 504.05 16.70 7 -6 3 465.65 16.10 -8 6 -3 351.36 14.10 -8 6 -3 375.06 14.00 8 -6 3 333.57 13.80 8 -6 3 354.66 14.30 -9 6 -3 119.19 9.00 -9 6 -3 112.79 8.10 9 -6 3 124.79 8.60 9 -6 3 123.69 8.90 -10 6 -3 1404.36 37.00 -10 6 -3 1418.96 37.50 10 -6 3 1354.76 37.20 10 -6 3 1390.06 37.90 -11 6 -3 24.80 5.70 -11 6 -3 23.90 6.10 11 -6 3 23.20 5.70 11 -6 3 14.10 4.90 -12 6 -3 591.24 22.10 -12 6 -3 651.03 22.00 -12 6 -3 618.14 21.80 12 -6 3 613.84 22.40 -13 6 -3 6.80 4.00 -13 6 -3 -8.90 4.70 13 -6 3 9.20 5.80 -14 6 -3 453.45 20.30 -14 6 -3 512.35 20.30 -14 6 -3 528.25 20.40 -15 6 -3 2.90 4.50 -15 6 -3 -7.60 4.50 -15 6 -3 -4.80 4.70 -16 6 -3 176.08 13.40 -16 6 -3 187.68 14.40 -17 6 -3 -2.00 5.70 -17 6 -3 7.20 6.60 -18 6 -3 0.50 6.30 -18 6 -3 2.40 5.90 -19 6 -3 21.80 9.30 -19 6 -3 22.30 8.10 -20 6 -3 51.59 9.50 21 5 -3 341.47 18.00 -21 -5 3 327.17 15.50 20 5 -3 11.30 5.70 -20 -5 3 0.50 5.00 -20 -5 3 11.50 7.50 -20 -5 3 1.90 5.90 19 5 -3 550.24 21.20 -19 -5 3 526.75 19.70 -19 -5 3 498.05 22.40 18 5 -3 16.10 6.00 -18 -5 3 15.00 4.80 -18 -5 3 17.40 6.60 -18 -5 3 10.10 4.20 -18 -5 3 14.50 5.40 17 5 -3 475.65 18.80 -17 -5 3 434.86 16.40 -17 -5 3 413.56 19.40 -17 -5 3 476.75 17.40 -17 -5 3 467.35 16.70 16 5 -3 91.79 9.40 -16 -5 3 93.49 7.90 -16 -5 3 85.19 8.00 -16 -5 3 103.79 10.70 15 5 -3 13.00 5.60 -15 -5 3 14.50 4.20 -15 -5 3 15.70 5.50 -15 -5 3 6.20 3.90 -15 -5 3 8.30 3.60 14 5 -3 14.80 5.20 -14 -5 3 16.20 4.10 -14 -5 3 10.70 3.90 -14 -5 3 18.50 5.80 -14 -5 3 20.70 4.60 13 5 -3 77.79 7.80 13 5 -3 93.99 9.20 -13 -5 3 95.99 10.50 -13 -5 3 71.19 6.50 -13 -5 3 80.69 7.40 -13 -5 3 122.79 14.10 12 5 -3 104.09 9.00 12 5 -3 94.19 8.50 -12 -5 3 103.69 7.00 -12 -5 3 113.49 9.00 -12 -5 3 103.29 7.70 -12 -5 3 100.79 6.80 11 5 -3 280.47 13.10 11 5 -3 278.07 10.50 11 5 -3 301.87 12.20 -11 -5 3 284.77 10.40 -11 -5 3 269.97 12.80 -11 -5 3 302.37 11.50 10 5 -3 498.15 16.40 10 5 -3 513.75 17.60 10 5 -3 502.75 14.70 -10 -5 3 496.15 15.50 -10 -5 3 512.35 17.20 -10 -5 3 502.95 14.50 9 5 -3 125.89 6.20 9 5 -3 127.29 8.00 9 5 -3 136.09 8.40 -9 -5 3 123.39 7.10 -9 -5 3 129.49 8.40 -9 -5 3 133.19 6.30 8 5 -3 674.83 17.60 8 5 -3 700.03 19.40 8 5 -3 700.03 20.40 -8 -5 3 664.53 20.00 -8 -5 3 705.73 17.50 7 5 -3 283.67 11.00 7 5 -3 308.57 9.40 7 5 -3 294.87 11.30 -7 -5 3 291.07 9.10 -7 -5 3 303.87 11.80 -7 -5 3 303.67 10.60 6 5 -3 3295.27 72.39 6 5 -3 3358.46 70.69 6 5 -3 3355.06 73.19 -6 -5 3 3335.27 70.39 -6 -5 3 3329.77 72.09 -6 -5 3 3329.07 73.19 5 5 -3 2.80 1.70 5 5 -3 2.70 2.50 -5 -5 3 2.10 1.80 -5 -5 3 6.80 2.40 -5 -5 3 2.90 3.30 4 5 -3 438.56 12.30 4 5 -3 438.66 10.90 4 5 -3 424.56 12.60 -4 -5 3 426.16 12.10 -4 -5 3 413.06 12.80 -4 -5 3 416.76 10.80 3 5 -3 188.98 5.80 3 5 -3 184.78 7.30 3 5 -3 192.98 7.00 -3 -5 3 188.78 6.00 -3 -5 3 181.58 6.80 -3 -5 3 193.38 7.60 2 5 -3 44.10 3.50 2 5 -3 47.90 3.90 2 5 -3 43.30 2.90 -2 -5 3 42.10 3.20 -2 -5 3 45.20 4.20 -2 -5 3 43.40 3.40 1 5 -3 1975.60 42.80 1 5 -3 1979.70 43.90 1 5 -3 1929.91 42.40 -1 -5 3 2028.20 44.50 -1 -5 3 1971.00 42.90 -1 -5 3 1980.00 42.80 0 5 -3 1084.19 24.50 0 5 -3 1104.89 26.30 0 5 -3 1079.89 25.00 0 -5 3 1116.09 25.50 0 -5 3 1068.29 24.50 0 -5 3 1131.19 26.80 -1 5 -3 25.30 2.50 -1 5 -3 29.20 3.10 -1 5 -3 28.10 3.30 1 -5 3 28.80 3.30 1 -5 3 27.90 2.50 1 -5 3 26.80 3.80 -2 5 -3 568.34 16.00 -2 5 -3 558.74 15.40 -2 5 -3 561.94 15.00 -2 5 -3 555.44 12.90 2 -5 3 556.34 13.00 -3 5 -3 2919.21 64.39 -3 5 -3 2938.71 64.89 -3 5 -3 3001.10 65.79 3 -5 3 2967.40 64.99 -4 5 -3 90.99 5.60 -4 5 -3 92.79 6.10 4 -5 3 72.69 5.60 4 -5 3 87.69 5.80 -5 5 -3 2070.69 47.80 -5 5 -3 2083.49 48.10 5 -5 3 2056.89 48.00 5 -5 3 2088.79 48.40 -6 5 -3 176.48 9.00 -6 5 -3 162.88 8.50 6 -5 3 164.28 8.60 6 -5 3 165.38 8.80 -7 5 -3 2121.39 50.09 7 -5 3 2075.09 50.29 7 -5 3 2142.59 52.69 -8 5 -3 5.00 3.10 -8 5 -3 10.80 3.90 8 -5 3 6.80 3.10 8 -5 3 8.50 3.40 -9 5 -3 777.82 23.30 -9 5 -3 805.22 24.00 9 -5 3 758.82 23.70 9 -5 3 800.02 24.30 -10 5 -3 138.09 9.70 -10 5 -3 147.19 9.30 10 -5 3 119.99 9.30 10 -5 3 133.39 9.60 -11 5 -3 507.75 18.30 -11 5 -3 506.95 18.90 11 -5 3 506.75 19.20 11 -5 3 490.85 18.90 -12 5 -3 87.29 8.00 -12 5 -3 96.29 9.30 -12 5 -3 103.39 9.70 12 -5 3 88.69 9.30 -13 5 -3 -1.00 4.60 -13 5 -3 8.20 4.70 -13 5 -3 0.90 4.20 -14 5 -3 6.20 6.70 -14 5 -3 1.20 5.00 -14 5 -3 3.40 5.90 -15 5 -3 22.90 6.10 -15 5 -3 20.80 6.30 -15 5 -3 18.70 7.00 -16 5 -3 200.88 13.60 -16 5 -3 186.28 14.00 -17 5 -3 51.99 9.40 -17 5 -3 49.40 8.80 -18 5 -3 181.08 13.80 -18 5 -3 156.28 17.50 -19 5 -3 7.70 7.50 -19 5 -3 9.50 7.70 -20 5 -3 276.07 17.00 -21 5 -3 -2.50 7.50 22 4 -3 286.47 15.90 -22 -4 3 264.27 15.00 21 4 -3 42.00 7.80 -21 -4 3 47.80 7.60 20 4 -3 124.69 11.80 -20 -4 3 116.79 13.00 -20 -4 3 121.69 10.40 19 4 -3 25.20 6.50 -19 -4 3 25.40 6.30 -19 -4 3 16.20 6.70 -19 -4 3 30.90 6.40 -19 -4 3 22.20 6.00 18 4 -3 9.10 5.00 -18 -4 3 8.30 4.90 -18 -4 3 13.70 5.30 -18 -4 3 5.90 5.60 -18 -4 3 12.40 4.10 17 4 -3 0.40 4.20 -17 -4 3 -7.90 3.70 -17 -4 3 1.10 5.60 -17 -4 3 -2.10 3.60 -17 -4 3 -1.50 3.90 16 4 -3 34.10 6.40 -16 -4 3 32.50 6.00 -16 -4 3 24.00 6.50 -16 -4 3 28.00 5.50 -16 -4 3 32.80 5.60 15 4 -3 209.08 12.10 -15 -4 3 231.28 11.20 -15 -4 3 227.38 11.30 -15 -4 3 216.48 13.40 -15 -4 3 218.08 10.80 14 4 -3 141.39 10.10 14 4 -3 163.18 14.00 -14 -4 3 152.78 11.10 -14 -4 3 163.08 9.20 -14 -4 3 149.79 8.90 -14 -4 3 147.29 9.10 13 4 -3 415.06 17.50 13 4 -3 430.36 15.80 -13 -4 3 427.46 15.10 -13 -4 3 412.26 16.60 -13 -4 3 401.06 14.30 -13 -4 3 422.26 14.40 12 4 -3 -2.90 3.30 12 4 -3 -5.20 2.80 -12 -4 3 -1.60 2.50 -12 -4 3 -1.40 3.00 -12 -4 3 -1.90 3.00 -12 -4 3 2.50 4.10 11 4 -3 1235.18 31.30 11 4 -3 1218.58 30.30 11 4 -3 1262.07 33.60 -11 -4 3 1262.77 30.20 -11 -4 3 1184.18 32.30 -11 -4 3 1169.28 30.20 10 4 -3 347.67 11.60 10 4 -3 333.57 12.40 10 4 -3 348.27 13.70 -10 -4 3 345.27 13.40 -10 -4 3 346.27 12.90 -10 -4 3 338.27 11.80 9 4 -3 1479.25 36.00 9 4 -3 1497.35 35.10 9 4 -3 1477.25 37.50 -9 -4 3 1513.15 37.10 -9 -4 3 1546.95 34.90 8 4 -3 231.08 9.70 8 4 -3 233.88 8.50 -8 -4 3 242.58 9.10 -8 -4 3 232.58 8.40 -8 -4 3 229.48 10.30 7 4 -3 746.23 20.20 7 4 -3 769.62 21.00 7 4 -3 757.42 19.00 -7 -4 3 768.92 20.90 -7 -4 3 776.82 19.80 -7 -4 3 767.62 18.90 6 4 -3 642.94 15.90 6 4 -3 617.74 17.50 -6 -4 3 648.14 17.80 -6 -4 3 615.04 15.60 -6 -4 3 617.84 16.60 5 4 -3 127.39 5.10 5 4 -3 120.69 5.90 5 4 -3 123.19 6.10 -5 -4 3 123.19 5.70 -5 -4 3 123.99 4.90 -5 -4 3 130.39 6.40 4 4 -3 744.93 18.70 4 4 -3 732.93 17.30 4 4 -3 749.62 18.40 -4 -4 3 728.13 17.20 -4 -4 3 730.43 18.20 -4 -4 3 775.12 19.10 3 4 -3 1179.08 27.00 3 4 -3 1195.18 26.10 3 4 -3 1212.08 27.50 -3 -4 3 1193.38 26.10 -3 -4 3 1160.38 26.80 -3 -4 3 1171.08 27.60 2 4 -3 1999.40 43.70 2 4 -3 1989.70 43.00 2 4 -3 1993.40 42.50 -2 -4 3 1992.00 43.00 -2 -4 3 1996.40 42.60 -2 -4 3 1985.50 43.90 1 4 -3 258.97 8.20 1 4 -3 252.77 7.20 1 4 -3 248.38 7.20 -1 -4 3 241.78 7.20 -1 -4 3 255.37 8.40 -1 -4 3 248.48 7.40 0 4 -3 838.92 19.50 0 4 -3 836.62 18.80 0 4 -3 856.51 20.50 0 -4 3 850.71 20.70 0 -4 3 819.82 19.70 0 -4 3 822.02 18.80 -1 4 -3 531.95 14.20 -1 4 -3 516.15 13.30 -1 4 -3 507.05 11.80 1 -4 3 504.45 11.90 1 -4 3 512.55 14.20 1 -4 3 501.55 13.50 -2 4 -3 3532.05 76.39 -2 4 -3 3591.24 77.39 -2 4 -3 3663.53 76.89 2 -4 3 3565.34 76.79 -3 4 -3 1566.64 36.00 -3 4 -3 1616.74 36.30 3 -4 3 1546.25 36.20 3 -4 3 1563.44 36.40 -4 4 -3 3244.18 68.49 -4 4 -3 3087.29 68.09 4 -4 3 3058.79 68.49 4 -4 3 3088.39 68.29 -5 4 -3 54.59 4.80 5 -4 3 55.19 5.10 -6 4 -3 1228.98 30.70 -6 4 -3 1215.88 30.30 6 -4 3 1207.08 30.80 6 -4 3 1177.58 30.50 -7 4 -3 6.00 3.00 -7 4 -3 9.80 3.70 7 -4 3 3.10 3.00 7 -4 3 4.20 2.90 -8 4 -3 164.38 9.50 -8 4 -3 144.49 8.40 8 -4 3 164.08 9.30 8 -4 3 143.89 8.90 -9 4 -3 42.80 6.10 -9 4 -3 38.80 5.50 9 -4 3 49.60 6.40 9 -4 3 43.40 6.00 -10 4 -3 42.20 5.90 -10 4 -3 39.30 6.10 10 -4 3 44.00 6.20 10 -4 3 40.10 6.20 -11 4 -3 136.89 10.20 -11 4 -3 134.99 9.10 11 -4 3 122.29 9.50 11 -4 3 133.49 9.60 -12 4 -3 -0.40 4.70 -12 4 -3 2.20 3.60 -12 4 -3 -0.30 3.80 12 -4 3 0.30 3.90 -13 4 -3 231.88 12.90 -13 4 -3 257.27 13.40 -13 4 -3 230.98 13.50 13 -4 3 224.38 16.80 -14 4 -3 59.29 7.80 -14 4 -3 56.79 8.90 -15 4 -3 947.71 29.30 -15 4 -3 899.41 29.00 -15 4 -3 917.81 30.30 -16 4 -3 -1.30 4.90 -16 4 -3 -0.10 3.70 -16 4 -3 4.30 5.80 -17 4 -3 575.74 23.60 -17 4 -3 576.24 22.90 -18 4 -3 33.00 7.70 -19 4 -3 259.97 17.10 -19 4 -3 262.67 16.10 -20 4 -3 71.79 10.70 -21 4 -3 23.70 7.70 22 3 -3 6.90 5.80 -22 -3 3 17.70 6.10 21 3 -3 6.50 5.50 -21 -3 3 4.80 5.60 20 3 -3 24.80 6.40 -20 -3 3 22.70 6.50 -20 -3 3 16.80 6.80 19 3 -3 6.80 5.20 -19 -3 3 1.20 4.90 -19 -3 3 -0.90 5.30 -19 -3 3 0.00 4.30 18 3 -3 237.58 13.20 -18 -3 3 235.08 15.10 -18 -3 3 257.57 11.80 -18 -3 3 240.28 13.70 -18 -3 3 245.18 15.10 -17 -3 3 -2.50 4.20 -17 -3 3 5.10 5.70 -17 -3 3 -2.50 3.50 -17 -3 3 -1.80 4.10 16 3 -3 272.47 13.50 -16 -3 3 289.97 12.40 -16 -3 3 292.27 15.50 -16 -3 3 302.77 13.80 -16 -3 3 293.17 13.00 15 3 -3 22.20 5.30 15 3 -3 12.20 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8.90 -9 -10 4 156.98 10.70 8 10 -4 917.31 25.70 8 10 -4 874.21 26.20 -8 -10 4 881.11 26.80 -8 -10 4 884.31 25.20 7 10 -4 49.80 6.40 7 10 -4 46.50 6.10 -7 -10 4 44.20 5.70 -7 -10 4 54.79 7.30 6 10 -4 343.47 13.40 6 10 -4 320.47 13.00 -6 -10 4 318.57 12.50 -6 -10 4 316.97 14.00 5 10 -4 59.19 6.50 5 10 -4 52.29 6.00 -5 -10 4 49.80 6.10 -5 -10 4 37.10 4.80 4 10 -4 127.69 5.70 4 10 -4 133.69 8.10 4 10 -4 121.59 8.30 -4 -10 4 118.29 8.80 -4 -10 4 127.09 7.70 3 10 -4 221.98 9.80 3 10 -4 223.88 10.30 3 10 -4 213.68 7.70 -3 -10 4 225.38 11.30 -3 -10 4 215.78 8.50 -3 -10 4 213.58 9.60 2 10 -4 55.99 4.70 2 10 -4 60.09 6.70 2 10 -4 66.19 6.40 -2 -10 4 65.29 7.20 -2 -10 4 63.39 5.30 -2 -10 4 57.29 5.90 1 10 -4 234.48 11.00 1 10 -4 244.28 8.90 1 10 -4 244.18 9.80 -1 -10 4 227.48 9.80 -1 -10 4 232.58 11.60 -1 -10 4 237.88 9.60 0 10 -4 249.28 9.70 0 10 -4 230.48 10.90 0 10 -4 238.98 9.20 0 -10 4 248.28 12.00 0 -10 4 243.88 9.50 -1 10 -4 636.94 19.90 -1 10 -4 622.44 17.70 -1 10 -4 644.64 17.40 1 -10 4 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11 -10 4 20.80 6.40 -12 10 -4 119.09 11.70 -12 10 -4 134.99 12.50 12 -10 4 109.99 11.30 -13 10 -4 120.89 11.50 -13 10 -4 87.69 11.00 -14 10 -4 302.67 17.80 -14 10 -4 316.67 17.10 -15 10 -4 238.78 16.00 -15 10 -4 237.48 15.60 -16 10 -4 301.87 18.10 -16 10 -4 311.17 18.30 -17 10 -4 63.49 10.50 -17 10 -4 75.79 10.90 -18 10 -4 222.48 16.40 -18 10 -4 166.18 16.20 20 9 -4 5.10 6.30 19 9 -4 13.40 7.10 18 9 -4 19.80 6.70 -18 -9 4 18.40 6.60 17 9 -4 213.38 14.50 -17 -9 4 214.68 16.20 16 9 -4 35.20 7.70 -16 -9 4 49.60 8.60 15 9 -4 472.45 19.40 -15 -9 4 463.45 20.00 14 9 -4 32.10 6.90 -14 -9 4 30.80 6.90 -14 -9 4 34.30 6.10 13 9 -4 684.63 23.10 -13 -9 4 689.63 22.10 -13 -9 4 644.64 23.70 12 9 -4 9.10 4.80 12 9 -4 10.00 5.00 -12 -9 4 16.30 5.90 11 9 -4 338.87 15.20 11 9 -4 364.16 15.20 -11 -9 4 333.67 14.00 -11 -9 4 298.47 18.90 10 9 -4 -0.40 3.80 10 9 -4 0.70 4.00 -10 -9 4 4.00 3.80 -10 -9 4 -0.20 4.20 9 9 -4 181.38 10.40 9 9 -4 187.58 10.50 -9 -9 4 170.88 9.70 -9 -9 4 171.48 11.00 8 9 -4 72.29 7.40 8 9 -4 87.29 7.60 -8 -9 4 67.99 7.60 -8 -9 4 63.79 6.60 7 9 -4 2.60 3.40 7 9 -4 1.90 3.00 -7 -9 4 1.60 3.90 -7 -9 4 -0.40 2.70 6 9 -4 264.47 11.40 6 9 -4 268.27 11.20 -6 -9 4 245.68 10.70 -6 -9 4 264.87 12.20 5 9 -4 226.08 9.90 5 9 -4 212.18 10.20 -5 -9 4 214.38 10.60 -5 -9 4 199.38 9.40 4 9 -4 854.81 20.20 4 9 -4 830.22 23.50 4 9 -4 865.71 22.90 -4 -9 4 847.62 22.70 -4 -9 4 862.41 24.60 -4 -9 4 848.02 20.80 3 9 -4 260.97 8.50 3 9 -4 273.27 10.50 3 9 -4 254.27 10.80 -3 -9 4 269.37 9.30 -3 -9 4 255.77 11.90 2 9 -4 1974.10 45.50 2 9 -4 1970.50 44.00 -2 -9 4 2039.30 45.00 -2 -9 4 1986.90 45.70 -2 -9 4 2037.00 48.30 1 9 -4 25.50 3.90 1 9 -4 34.00 5.00 1 9 -4 31.20 3.80 -1 -9 4 39.20 6.30 -1 -9 4 34.60 4.40 -1 -9 4 33.60 4.20 0 9 -4 2014.90 44.80 0 9 -4 2001.10 47.10 0 9 -4 1943.31 44.70 0 -9 4 1986.10 45.00 0 -9 4 2022.90 45.90 0 -9 4 2002.00 48.30 -1 9 -4 28.40 3.80 -1 9 -4 29.30 5.10 -1 9 -4 25.50 3.90 1 -9 4 27.90 6.00 1 -9 4 23.30 4.10 1 -9 4 23.10 3.40 -2 9 -4 1043.30 24.50 -2 9 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727.93 21.50 -7 3 -5 280.47 11.90 7 -3 5 262.47 11.90 7 -3 5 269.37 11.70 -8 3 -5 1172.58 30.10 -8 3 -5 1184.78 31.10 8 -3 5 1094.19 31.00 8 -3 5 1131.99 30.90 -9 3 -5 793.52 24.40 -9 3 -5 831.32 23.70 9 -3 5 829.32 24.70 9 -3 5 802.82 24.80 -10 3 -5 205.98 11.50 -10 3 -5 200.68 10.60 10 -3 5 190.78 11.50 10 -3 5 196.78 11.30 -11 3 -5 508.35 19.00 -11 3 -5 486.15 17.70 11 -3 5 441.86 18.80 11 -3 5 463.75 18.10 -12 3 -5 254.67 12.90 12 -3 5 237.68 14.00 12 -3 5 255.77 13.60 -13 3 -5 447.36 17.40 -13 3 -5 449.76 18.90 13 -3 5 410.26 19.10 -14 3 -5 0.10 5.50 -14 3 -5 1.00 8.80 -14 3 -5 0.50 4.50 14 -3 5 -3.90 5.80 -15 3 -5 47.70 7.50 -15 3 -5 53.59 9.00 -15 3 -5 46.50 8.00 -16 3 -5 10.60 5.50 -16 3 -5 15.20 7.00 -17 3 -5 11.90 9.90 -17 3 -5 7.10 6.20 -18 3 -5 -6.80 6.30 -18 3 -5 3.10 5.70 -19 3 -5 60.19 9.50 -20 3 -5 2.60 6.50 22 2 -5 184.48 13.40 -22 -2 5 148.99 12.90 21 2 -5 124.19 11.80 -21 -2 5 102.49 11.40 -21 -2 5 128.39 13.50 20 2 -5 299.77 15.70 -20 -2 5 297.27 15.40 -20 -2 5 309.57 17.90 19 2 -5 45.20 7.30 -19 -2 5 60.79 9.10 -19 -2 5 54.99 6.50 -19 -2 5 68.49 8.80 18 2 -5 186.58 11.70 -18 -2 5 180.58 13.80 -18 -2 5 181.68 11.80 -18 -2 5 179.78 10.60 -18 -2 5 174.48 12.50 -17 -2 5 4.40 5.40 -17 -2 5 7.50 4.10 -17 -2 5 8.30 4.50 16 2 -5 137.89 12.20 16 2 -5 123.09 9.70 -16 -2 5 139.59 11.20 -16 -2 5 130.09 10.60 -16 -2 5 127.99 9.80 -16 -2 5 129.59 8.90 15 2 -5 69.19 7.50 15 2 -5 72.69 8.10 -15 -2 5 60.99 6.50 -15 -2 5 62.09 7.20 -15 -2 5 76.79 8.80 14 2 -5 8.70 4.20 14 2 -5 16.70 5.30 14 2 -5 12.80 3.90 -14 -2 5 14.50 4.20 -14 -2 5 18.00 4.90 -14 -2 5 13.70 5.30 13 2 -5 42.70 5.60 13 2 -5 37.20 5.60 13 2 -5 42.80 6.60 -13 -2 5 38.80 5.70 -13 -2 5 48.00 6.80 -13 -2 5 46.60 5.40 12 2 -5 97.29 7.40 12 2 -5 88.99 7.10 12 2 -5 110.59 8.70 -12 -2 5 95.59 8.20 -12 -2 5 100.39 7.20 -12 -2 5 95.19 7.60 11 2 -5 342.67 13.00 11 2 -5 369.06 13.00 11 2 -5 352.76 14.00 -11 -2 5 356.36 13.60 -11 -2 5 351.26 12.90 -11 -2 5 349.67 12.30 10 2 -5 145.69 7.90 10 2 -5 145.59 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1431.76 34.30 8 1 -5 1377.56 34.10 8 1 -5 1448.56 34.00 -8 -1 5 1416.56 33.30 -8 -1 5 1417.46 34.00 -8 -1 5 1442.06 33.90 7 1 -5 72.09 6.50 7 1 -5 63.29 5.40 7 1 -5 65.79 5.50 -7 -1 5 70.69 6.30 -7 -1 5 58.59 5.10 -7 -1 5 71.09 5.40 6 1 -5 449.06 12.70 6 1 -5 443.26 13.10 6 1 -5 448.36 13.00 -6 -1 5 458.25 12.60 -6 -1 5 428.66 12.60 -6 -1 5 451.05 13.00 5 1 -5 699.53 18.00 5 1 -5 700.23 17.30 5 1 -5 699.23 17.80 -5 -1 5 691.33 17.10 -5 -1 5 704.03 17.80 -5 -1 5 694.43 17.50 4 1 -5 202.18 7.20 4 1 -5 197.68 6.50 4 1 -5 198.88 7.20 -4 -1 5 195.58 6.50 -4 -1 5 204.68 7.10 -4 -1 5 209.18 7.20 3 1 -5 82.79 4.40 3 1 -5 79.39 4.30 3 1 -5 76.49 3.60 -3 -1 5 72.59 4.10 -3 -1 5 80.29 4.30 -3 -1 5 79.69 3.70 2 1 -5 28.60 2.50 2 1 -5 28.80 3.10 2 1 -5 28.40 2.90 -2 -1 5 35.00 3.20 -2 -1 5 29.70 2.60 -2 -1 5 35.40 3.00 1 1 -5 140.59 5.20 1 1 -5 139.29 5.50 1 1 -5 140.19 4.90 -1 -1 5 138.09 5.10 -1 -1 5 146.29 5.50 -1 -1 5 144.59 5.10 0 1 -5 872.31 20.80 0 1 -5 917.21 20.30 0 1 -5 895.81 20.30 0 1 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117.09 12.90 13 17 -14 29.20 7.20 -13 -17 14 64.09 8.30 12 17 -14 205.88 13.00 -12 -17 14 265.17 14.70 11 17 -14 3.30 7.00 11 17 -14 11.00 5.40 -11 -17 14 13.40 7.60 -11 -17 14 18.80 7.10 10 17 -14 143.19 11.60 10 17 -14 162.28 14.60 -10 -17 14 114.39 13.60 -10 -17 14 150.78 13.10 9 17 -14 -8.30 5.30 9 17 -14 14.40 8.00 -9 -17 14 2.60 8.50 -9 -17 14 6.80 6.20 8 17 -14 44.90 7.60 8 17 -14 43.80 8.20 -8 -17 14 35.60 8.10 -8 -17 14 42.10 10.20 7 17 -14 2.40 6.10 7 17 -14 1.80 5.60 -7 -17 14 1.90 6.40 6 17 -14 3.60 6.00 6 17 -14 9.00 6.00 -6 -17 14 4.70 6.60 -6 -17 14 6.80 7.80 5 17 -14 -4.70 5.20 5 17 -14 4.10 6.60 -5 -17 14 1.40 8.20 -5 -17 14 -12.70 5.30 4 17 -14 105.89 11.60 4 17 -14 111.89 15.40 -4 -17 14 131.89 12.80 -4 -17 14 70.19 12.10 3 17 -14 196.98 13.00 -3 -17 14 149.99 16.90 -3 -17 14 211.98 15.10 2 17 -14 304.47 14.90 -2 -17 14 327.37 15.40 -2 -17 14 269.47 19.90 -2 -17 14 284.07 18.10 1 17 -14 262.07 13.50 -1 -17 14 239.88 19.10 -1 -17 14 250.17 17.10 -1 -17 14 241.28 21.00 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8.20 -8 -16 14 49.50 10.90 7 16 -14 25.60 5.70 7 16 -14 29.00 7.30 -7 -16 14 24.70 7.60 -7 -16 14 26.80 9.10 6 16 -14 202.48 13.60 6 16 -14 188.68 12.40 -6 -16 14 195.58 17.30 -6 -16 14 202.68 14.10 5 16 -14 141.89 11.20 5 16 -14 152.88 12.40 -5 -16 14 176.18 13.40 -5 -16 14 174.38 16.40 4 16 -14 425.36 17.70 4 16 -14 427.46 17.40 -4 -16 14 412.46 19.90 -4 -16 14 420.56 22.90 3 16 -14 47.40 7.70 3 16 -14 35.90 6.80 -3 -16 14 36.60 8.20 -3 -16 14 49.80 7.80 -3 -16 14 43.80 10.40 2 16 -14 425.46 16.80 -2 -16 14 426.66 20.20 -2 -16 14 392.56 22.40 1 16 -14 13.50 5.30 -1 -16 14 1.00 6.40 -1 -16 14 3.80 5.80 -1 -16 14 14.40 7.60 0 16 -14 249.48 12.50 0 16 -14 219.08 16.80 0 -16 14 192.38 15.50 0 -16 14 228.38 12.60 -1 16 -14 9.70 5.00 -1 16 -14 5.40 7.70 1 -16 14 5.40 5.10 1 -16 14 12.80 7.10 -2 16 -14 58.09 6.70 -2 16 -14 49.20 9.40 2 -16 14 66.79 7.30 2 -16 14 56.79 10.00 -3 16 -14 2.70 6.50 3 -16 14 12.30 7.30 3 -16 14 1.60 4.60 -4 16 -14 5.10 6.70 4 -16 14 0.00 5.90 -6 16 -14 48.20 9.90 6 -16 14 34.20 9.30 -7 16 -14 131.09 14.60 7 -16 14 171.78 17.20 -8 16 -14 26.20 8.40 8 -16 14 20.50 8.50 -16 -15 14 32.10 7.50 15 15 -14 5.80 7.20 -15 -15 14 2.50 6.60 14 15 -14 -11.00 5.20 -14 -15 14 -5.90 8.70 -14 -15 14 3.50 6.10 13 15 -14 3.80 5.70 13 15 -14 10.70 6.90 -13 -15 14 2.50 5.90 -13 -15 14 8.20 8.60 12 15 -14 16.00 7.30 12 15 -14 13.70 5.50 -12 -15 14 25.60 6.90 -12 -15 14 20.10 8.20 11 15 -14 132.39 18.20 11 15 -14 157.98 11.90 -11 -15 14 177.08 13.00 -11 -15 14 165.88 23.50 10 15 -14 15.20 6.70 10 15 -14 20.60 5.70 -10 -15 14 22.20 6.80 -10 -15 14 22.90 8.50 9 15 -14 388.96 18.70 9 15 -14 386.86 16.40 -9 -15 14 376.26 21.10 -9 -15 14 408.66 17.80 8 15 -14 21.30 6.10 8 15 -14 20.80 6.30 -8 -15 14 29.20 7.30 -8 -15 14 9.40 7.90 7 15 -14 306.87 16.10 7 15 -14 307.67 14.70 -7 -15 14 314.67 16.00 -7 -15 14 295.07 19.30 6 15 -14 -7.70 4.80 6 15 -14 6.80 5.70 -6 -15 14 -1.90 6.20 -6 -15 14 5.20 6.60 5 15 -14 339.27 16.30 5 15 -14 342.17 15.40 -5 -15 14 357.26 17.70 -5 -15 14 315.87 15.00 -5 -15 14 324.97 19.50 4 15 -14 12.80 5.80 4 15 -14 22.90 6.50 -4 -15 14 17.50 7.60 -4 -15 14 15.00 6.80 -4 -15 14 11.90 6.10 3 15 -14 48.30 7.60 3 15 -14 68.19 8.30 -3 -15 14 60.79 11.00 -3 -15 14 62.99 9.50 -3 -15 14 57.69 10.40 2 15 -14 17.60 6.70 2 15 -14 26.00 6.30 -2 -15 14 18.60 7.50 -2 -15 14 22.80 5.90 -2 -15 14 34.90 8.90 1 15 -14 -3.40 4.30 1 15 -14 -27.70 9.50 -1 -15 14 5.70 5.30 -1 -15 14 -3.00 5.90 -1 -15 14 7.60 6.40 0 15 -14 -0.30 6.60 0 15 -14 1.30 4.70 0 -15 14 -6.80 4.70 0 -15 14 -11.70 6.10 -1 15 -14 18.80 5.40 -1 15 -14 13.20 7.30 1 -15 14 29.70 8.80 1 -15 14 16.10 5.40 -2 15 -14 31.60 5.70 -2 15 -14 25.00 7.60 2 -15 14 34.90 6.00 2 -15 14 27.60 8.50 -3 15 -14 57.99 10.20 3 -15 14 76.09 10.90 3 -15 14 61.99 6.60 -4 15 -14 394.06 21.30 4 -15 14 394.86 20.90 -5 15 -14 -3.30 5.70 5 -15 14 -0.10 6.40 -6 15 -14 351.56 20.50 -7 15 -14 -4.70 7.10 7 -15 14 6.00 7.00 -8 15 -14 398.16 22.50 8 -15 14 388.36 22.10 -9 15 -14 27.80 9.50 -17 -14 14 26.30 7.30 -16 -14 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14 -1.90 7.30 -16 -13 14 -7.10 5.70 15 13 -14 272.87 16.70 15 13 -14 264.27 16.70 -15 -13 14 314.47 19.90 -15 -13 14 292.67 15.50 14 13 -14 119.49 12.70 14 13 -14 104.59 11.40 -14 -13 14 107.49 11.10 -14 -13 14 165.18 16.20 13 13 -14 161.98 11.70 -13 -13 14 165.28 12.40 -13 -13 14 144.79 15.40 12 13 -14 181.98 12.00 12 13 -14 206.08 14.60 -12 -13 14 202.88 12.90 -12 -13 14 197.48 16.40 11 13 -14 141.09 10.60 11 13 -14 133.59 12.70 -11 -13 14 145.39 14.40 -11 -13 14 157.68 12.30 10 13 -14 75.29 8.50 10 13 -14 69.19 9.10 -10 -13 14 85.89 12.90 -10 -13 14 95.19 10.40 9 13 -14 13.40 5.50 9 13 -14 12.80 6.50 -9 -13 14 9.00 6.50 -9 -13 14 2.60 5.90 8 13 -14 -3.90 5.60 8 13 -14 1.40 5.30 -8 -13 14 3.40 6.50 -8 -13 14 3.00 6.40 7 13 -14 -2.00 5.50 7 13 -14 -2.80 4.50 -7 -13 14 -2.00 6.70 -7 -13 14 -4.30 4.80 -7 -13 14 -5.30 5.60 6 13 -14 59.59 7.90 6 13 -14 42.70 7.30 6 13 -14 38.70 7.60 -6 -13 14 50.59 8.50 -6 -13 14 73.89 12.10 -6 -13 14 46.60 7.20 5 13 -14 17.80 6.70 5 13 -14 26.40 6.60 5 13 -14 27.60 6.50 -5 -13 14 21.60 7.00 -5 -13 14 36.50 10.60 -5 -13 14 26.50 8.70 4 13 -14 394.56 16.30 4 13 -14 415.06 18.70 4 13 -14 380.86 16.40 -4 -13 14 417.76 16.20 -4 -13 14 423.96 18.60 -4 -13 14 382.56 20.20 3 13 -14 -0.10 6.40 3 13 -14 -1.40 4.50 3 13 -14 0.70 5.10 -3 -13 14 0.20 4.80 -3 -13 14 6.50 4.90 -3 -13 14 1.10 6.80 2 13 -14 611.94 19.60 2 13 -14 595.34 23.10 2 13 -14 540.55 19.90 -2 -13 14 587.04 23.20 -2 -13 14 564.14 18.80 -2 -13 14 541.45 24.30 1 13 -14 127.19 13.20 1 13 -14 114.29 11.10 1 13 -14 143.89 10.30 -1 -13 14 138.79 9.80 -1 -13 14 137.29 12.60 -1 -13 14 121.99 13.70 0 13 -14 359.36 13.90 0 13 -14 340.17 17.60 0 13 -14 345.97 18.50 0 13 -14 318.87 15.10 0 -13 14 325.47 13.10 0 -13 14 304.07 17.30 -1 13 -14 196.18 13.60 -1 13 -14 213.38 15.30 -1 13 -14 208.48 10.70 1 -13 14 200.08 10.10 1 -13 14 204.08 14.50 -2 13 -14 135.39 8.60 -2 13 -14 126.39 13.10 2 -13 14 147.99 9.20 2 -13 14 127.69 13.60 -3 13 -14 78.19 9.80 3 -13 14 79.89 10.30 -4 13 -14 39.30 9.40 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12 -14 91.89 9.50 8 12 -14 106.69 11.80 -8 -12 14 75.99 10.50 -8 -12 14 97.59 10.00 -8 -12 14 92.99 9.50 7 12 -14 248.88 14.60 7 12 -14 214.18 20.00 7 12 -14 225.98 13.70 -7 -12 14 235.28 12.60 -7 -12 14 214.28 15.40 -7 -12 14 237.38 14.20 6 12 -14 164.88 12.90 6 12 -14 179.68 12.10 -6 -12 14 161.48 12.40 -6 -12 14 162.68 13.90 5 12 -14 90.49 9.90 5 12 -14 107.39 10.40 5 12 -14 76.39 14.10 -5 -12 14 92.99 9.20 -5 -12 14 85.79 9.70 -5 -12 14 77.49 10.40 4 12 -14 412.06 18.60 4 12 -14 411.46 16.20 4 12 -14 392.76 18.50 -4 -12 14 352.16 19.10 -4 -12 14 400.36 15.50 -4 -12 14 372.06 17.50 3 12 -14 198.98 11.70 3 12 -14 230.28 16.90 3 12 -14 166.78 11.50 -3 -12 14 210.08 15.50 -3 -12 14 191.18 13.90 -3 -12 14 200.78 10.90 2 12 -14 118.09 9.60 2 12 -14 123.39 10.50 2 12 -14 120.69 12.60 -2 -12 14 113.09 8.70 -2 -12 14 118.49 11.80 -2 -12 14 109.99 11.80 1 12 -14 94.99 11.30 1 12 -14 91.49 9.60 1 12 -14 87.69 8.70 1 12 -14 86.79 10.00 -1 -12 14 90.69 11.30 -1 -12 14 84.69 8.00 -1 -12 14 92.69 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10 -21 27.30 7.90 -11 -10 21 31.60 9.30 -11 -10 21 43.10 8.90 10 10 -21 31.10 8.30 -10 -10 21 32.70 9.50 -10 -10 21 26.00 8.70 9 10 -21 1.70 13.00 -9 -10 21 20.20 8.80 -9 -10 21 10.90 7.40 8 10 -21 5.80 6.20 -8 -10 21 13.20 7.20 -8 -10 21 12.50 7.00 7 10 -21 45.70 8.50 -7 -10 21 50.49 9.90 -7 -10 21 27.90 9.30 6 10 -21 6.00 5.80 6 10 -21 0.10 7.60 -6 -10 21 13.00 8.40 5 10 -21 62.09 8.40 5 10 -21 62.99 9.90 -5 -10 21 57.99 9.60 4 10 -21 -2.70 6.60 4 10 -21 8.70 5.80 -4 -10 21 -3.90 7.30 3 10 -21 204.98 13.80 3 10 -21 158.08 14.60 -3 -10 21 172.38 15.50 2 10 -21 10.40 7.70 2 10 -21 18.10 6.80 -2 -10 21 6.70 7.90 -2 -10 21 3.90 6.60 1 10 -21 274.07 14.80 1 10 -21 298.67 18.50 -1 -10 21 266.87 19.00 -1 -10 21 290.87 15.50 0 10 -21 145.09 15.80 0 -10 21 142.59 11.70 0 -10 21 108.99 23.30 -1 10 -21 146.49 15.70 -1 10 -21 107.59 10.60 1 -10 21 116.59 11.50 -2 10 -21 57.89 10.70 -3 10 -21 6.10 7.80 -4 10 -21 16.40 9.70 -15 -9 21 40.10 9.50 -14 -9 21 94.89 13.20 -13 -9 21 6.20 7.40 12 9 -21 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160.78 14.10 8 7 -21 8.90 6.60 8 7 -21 1.90 6.20 8 7 -21 5.50 6.50 -8 -7 21 -15.90 6.20 7 7 -21 44.60 7.70 7 7 -21 39.70 7.80 7 7 -21 51.79 7.40 -7 -7 21 44.20 9.30 6 7 -21 10.90 6.40 6 7 -21 -5.50 5.60 6 7 -21 8.90 6.30 -6 -7 21 9.50 7.00 5 7 -21 4.20 5.90 5 7 -21 -3.90 5.10 5 7 -21 3.10 5.50 -5 -7 21 6.90 6.70 4 7 -21 0.50 5.50 4 7 -21 21.30 6.60 4 7 -21 0.60 5.90 -4 -7 21 13.90 7.30 3 7 -21 72.79 9.00 3 7 -21 52.09 8.10 3 7 -21 109.19 11.50 -3 -7 21 68.99 11.30 2 7 -21 51.29 8.30 2 7 -21 50.89 8.70 2 7 -21 47.00 7.40 -2 -7 21 45.60 9.90 1 7 -21 262.07 19.00 1 7 -21 219.68 14.00 1 7 -21 276.87 17.50 -1 -7 21 217.08 13.60 -1 -7 21 236.58 17.80 0 7 -21 225.08 13.20 0 7 -21 212.48 20.50 0 7 -21 233.58 15.50 0 -7 21 232.08 17.70 0 -7 21 291.27 20.50 -1 7 -21 26.90 9.20 -1 7 -21 20.50 7.30 1 -7 21 39.60 10.30 1 -7 21 25.70 7.10 -2 7 -21 249.97 16.40 -2 7 -21 250.77 13.00 2 -7 21 250.47 24.20 2 -7 21 267.47 14.30 -3 7 -21 14.70 8.10 -3 7 -21 17.70 5.60 3 -7 21 10.30 6.70 -4 7 -21 207.78 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6.70 1 4 -21 7.20 5.50 1 4 -21 10.70 5.80 -1 -4 21 5.00 7.30 0 4 -21 89.89 9.30 0 4 -21 126.89 12.20 0 4 -21 118.89 11.10 0 -4 21 85.59 11.60 -1 4 -21 -6.40 5.70 -1 4 -21 -3.50 5.00 -1 4 -21 6.00 7.80 1 -4 21 -3.40 6.60 1 -4 21 -1.90 7.80 -2 4 -21 240.58 13.80 -2 4 -21 282.07 16.60 -2 4 -21 284.67 15.00 2 -4 21 309.87 15.70 2 -4 21 270.17 18.80 -3 4 -21 14.40 14.40 -3 4 -21 17.50 9.20 3 -4 21 4.70 7.50 3 -4 21 -7.00 13.60 -4 4 -21 339.77 21.70 -4 4 -21 315.17 17.40 4 -4 21 328.27 15.90 4 -4 21 383.76 19.20 -17 -3 21 21.90 7.20 16 3 -21 100.09 11.40 15 3 -21 9.80 7.00 -15 -3 21 5.40 6.30 14 3 -21 117.29 12.10 -14 -3 21 170.08 12.40 13 3 -21 68.19 10.90 13 3 -21 63.89 7.50 -13 -3 21 60.79 14.00 -13 -3 21 67.49 8.40 12 3 -21 23.60 7.40 -12 -3 21 39.40 6.80 -12 -3 21 46.20 9.30 11 3 -21 220.98 16.20 -11 -3 21 240.28 15.40 10 3 -21 57.09 9.40 -10 -3 21 55.49 9.70 9 3 -21 112.59 12.90 -9 -3 21 83.59 10.30 8 3 -21 30.70 7.40 -8 -3 21 28.60 8.00 7 3 -21 16.10 6.90 -7 -3 21 14.00 7.30 6 3 -21 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145.99 13.40 4 -1 -21 15.90 7.40 -4 1 21 -3.70 7.50 3 -1 -21 278.47 16.70 -3 1 21 258.97 18.00 2 -1 -21 10.60 5.90 -2 1 21 -13.20 7.20 1 -1 -21 251.37 15.80 -1 1 21 262.47 17.00 0 -1 -21 5.10 5.90 0 1 21 9.50 6.60 1 1 21 192.58 14.30 1 1 21 209.68 16.80 2 1 21 3.40 6.00 2 1 21 9.30 8.60 -11 2 21 6.50 8.10 10 -2 -21 10.20 6.60 -10 2 21 -5.50 6.50 9 -2 -21 5.10 6.00 -9 2 21 8.70 6.90 8 -2 -21 50.09 8.90 -8 2 21 57.19 10.30 7 -2 -21 -1.70 5.90 -7 2 21 5.60 7.70 6 -2 -21 313.87 17.70 -6 2 21 283.27 17.40 5 -2 -21 35.00 8.20 -5 2 21 22.60 8.00 4 -2 -21 231.68 15.70 -4 2 21 196.38 15.70 3 -2 -21 77.49 10.70 -3 2 21 76.69 10.40 2 -2 -21 116.69 14.20 -2 2 21 110.09 13.90 -1 2 21 54.09 9.80 0 2 21 48.10 9.60 0 2 21 40.90 8.80 1 2 21 26.20 8.30 1 2 21 44.60 9.30 -10 3 21 -5.80 7.00 9 -3 -21 198.08 17.20 -9 3 21 237.38 16.10 8 -3 -21 74.49 10.70 -8 3 21 67.59 10.30 7 -3 -21 79.89 10.90 -7 3 21 90.09 11.90 6 -3 -21 71.99 9.60 -6 3 21 100.79 11.90 5 -3 -21 55.69 8.90 -5 3 21 70.19 11.20 4 -3 -21 43.80 7.90 -4 3 21 59.49 10.20 3 -3 -21 7.70 6.60 -3 3 21 19.20 6.90 2 -3 -21 -0.70 6.10 -2 3 21 3.20 7.90 1 -3 -21 4.30 6.70 -1 3 21 2.40 7.10 0 3 21 31.30 8.80 0 3 21 14.50 7.60 -10 4 21 46.60 13.40 -9 4 21 220.98 16.00 -8 4 21 -1.80 6.90 -7 4 21 51.49 9.90 6 -4 -21 4.00 6.80 -6 4 21 13.40 6.90 5 -4 -21 0.60 6.10 -5 4 21 -7.70 6.70 4 -4 -21 2.50 6.80 -4 4 21 9.30 7.70 3 -4 -21 28.30 7.60 -3 4 21 44.20 9.10 2 -4 -21 17.70 6.30 -2 4 21 5.90 7.20 -1 4 21 53.49 9.20 -1 4 21 65.59 10.20 -9 5 21 19.10 8.80 -8 5 21 -4.50 6.70 -7 5 21 1.30 6.70 -6 5 21 15.70 7.60 -5 5 21 51.39 9.20 -4 5 21 56.99 9.90 -3 5 21 181.68 15.10 -8 6 21 62.99 10.10 -7 6 21 4.80 7.20 -6 6 21 127.59 13.50 -5 6 21 20.90 8.30 8 14 -22 89.09 11.30 -8 -14 22 93.39 14.40 7 14 -22 53.09 9.90 -7 -14 22 35.10 11.30 6 14 -22 76.59 14.00 6 14 -22 50.39 10.50 5 14 -22 16.70 9.70 5 14 -22 42.40 8.50 4 14 -22 6.40 9.50 4 14 -22 18.50 7.20 3 14 -22 -3.30 9.00 3 14 -22 12.40 6.60 2 14 -22 2.20 5.90 2 14 -22 4.90 7.60 -10 -13 22 28.50 10.30 9 13 -22 28.50 7.90 -9 -13 22 37.50 11.30 8 13 -22 16.00 8.00 -8 -13 22 29.30 17.80 7 13 -22 11.70 7.10 7 13 -22 -4.40 9.30 6 13 -22 8.10 7.70 6 13 -22 3.70 9.30 5 13 -22 -4.30 6.70 5 13 -22 -7.80 7.90 4 13 -22 21.60 9.70 4 13 -22 31.70 7.60 3 13 -22 -5.50 5.80 3 13 -22 -1.10 8.60 2 13 -22 177.28 14.30 1 13 -22 10.20 6.30 1 13 -22 -5.30 10.60 -1 -13 22 2.70 7.20 0 13 -22 209.08 19.40 0 13 -22 202.48 13.30 -11 -12 22 25.70 17.20 10 12 -22 7.10 9.20 -10 -12 22 6.80 8.60 9 12 -22 -13.20 5.90 -9 -12 22 3.80 8.40 8 12 -22 2.70 6.70 -8 -12 22 0.10 8.30 7 12 -22 19.60 11.30 7 12 -22 12.40 10.00 6 12 -22 21.40 8.10 6 12 -22 16.00 9.40 5 12 -22 161.38 13.70 5 12 -22 110.39 13.10 4 12 -22 42.10 9.70 4 12 -22 49.40 7.30 3 12 -22 224.58 14.70 3 12 -22 227.48 17.60 2 12 -22 95.19 13.10 2 12 -22 155.48 13.80 1 12 -22 55.99 8.20 1 12 -22 52.09 11.10 0 12 -22 45.90 7.90 0 12 -22 61.79 12.40 -1 12 -22 4.70 5.70 -1 12 -22 -6.00 11.10 -12 -11 22 53.89 11.10 -11 -11 22 20.20 9.20 10 11 -22 26.70 8.20 -10 -11 22 32.00 9.20 9 11 -22 79.19 10.10 -9 -11 22 72.79 11.90 8 11 -22 76.19 9.80 -8 -11 22 72.19 11.10 7 11 -22 106.49 13.60 7 11 -22 101.49 13.70 6 11 -22 38.40 8.00 6 11 -22 36.00 9.70 5 11 -22 161.78 16.50 5 11 -22 174.18 14.10 4 11 -22 35.40 9.50 4 11 -22 66.19 8.00 3 11 -22 127.99 12.90 3 11 -22 116.59 13.40 2 11 -22 -1.90 6.80 2 11 -22 5.60 8.70 1 11 -22 54.99 10.80 1 11 -22 61.99 8.30 -1 -11 22 25.00 7.70 0 11 -22 -1.10 8.10 0 11 -22 -1.20 6.20 0 -11 22 -3.30 9.00 -1 11 -22 -7.30 5.60 -1 11 -22 7.70 8.80 -13 -10 22 39.90 10.60 -12 -10 22 44.90 9.90 11 10 -22 35.50 14.50 -11 -10 22 30.90 9.00 10 10 -22 193.28 15.20 -10 -10 22 145.99 15.70 9 10 -22 14.40 7.30 -9 -10 22 10.10 8.00 8 10 -22 268.97 18.90 7 10 -22 -9.50 8.20 7 10 -22 8.90 6.70 6 10 -22 80.69 9.70 6 10 -22 62.99 10.40 5 10 -22 10.20 7.80 5 10 -22 22.40 7.00 4 10 -22 -1.60 7.30 4 10 -22 1.80 5.70 3 10 -22 -10.90 7.00 3 10 -22 7.80 6.20 2 10 -22 6.80 8.20 2 10 -22 -9.20 5.70 1 10 -22 1.60 6.00 1 10 -22 0.40 7.80 -1 -10 22 -1.20 6.80 0 10 -22 33.00 6.60 0 10 -22 46.20 10.40 0 -10 22 33.90 9.50 -1 10 -22 151.48 16.20 1 -10 22 170.78 14.10 -2 10 -22 29.70 9.40 -14 -9 22 12.70 9.10 -13 -9 22 275.27 18.20 -12 -9 22 -3.50 8.10 11 9 -22 216.08 16.60 -11 -9 22 255.27 17.80 10 9 -22 5.30 7.00 -10 -9 22 17.40 8.50 8 9 -22 16.60 8.20 8 9 -22 -2.00 6.90 -8 -9 22 32.70 12.70 7 9 -22 1.80 6.70 7 9 -22 1.80 7.70 7 9 -22 6.40 7.60 -7 -9 22 0.60 7.00 6 9 -22 -1.10 7.50 6 9 -22 16.80 6.50 6 9 -22 4.20 7.20 -6 -9 22 9.00 9.30 5 9 -22 -9.10 5.90 5 9 -22 11.60 7.90 5 9 -22 -5.80 5.90 -5 -9 22 0.60 10.30 4 9 -22 26.80 8.10 4 9 -22 28.20 7.90 4 9 -22 35.90 7.70 3 9 -22 12.00 7.30 3 9 -22 5.60 7.00 3 9 -22 12.40 6.60 2 9 -22 54.69 9.50 2 9 -22 69.09 9.10 1 9 -22 0.40 7.70 1 9 -22 0.00 6.00 -1 -9 22 -8.80 6.60 0 9 -22 325.97 18.80 0 9 -22 315.07 15.80 0 -9 22 344.97 17.30 -1 9 -22 5.30 8.30 -1 9 -22 6.70 5.60 1 -9 22 -7.50 7.10 -2 9 -22 195.98 12.00 -2 9 -22 187.38 16.20 -14 -8 22 95.19 11.70 -13 -8 22 51.49 10.60 -12 -8 22 16.10 8.70 11 8 -22 4.80 7.10 11 8 -22 3.00 6.70 -11 -8 22 2.40 7.00 10 8 -22 -7.20 6.10 10 8 -22 0.20 7.50 -10 -8 22 9.00 7.20 9 8 -22 20.30 7.30 9 8 -22 6.30 7.40 -9 -8 22 14.30 9.50 -9 -8 22 17.60 7.30 8 8 -22 11.80 9.50 8 8 -22 10.10 8.30 -8 -8 22 14.70 8.50 7 8 -22 316.07 23.50 7 8 -22 261.27 16.60 7 8 -22 237.08 17.20 -7 -8 22 243.48 16.80 6 8 -22 -8.00 7.80 6 8 -22 1.70 5.50 -6 -8 22 10.40 8.40 5 8 -22 238.58 19.40 5 8 -22 306.27 23.70 5 8 -22 258.17 15.70 -5 -8 22 240.88 17.30 4 8 -22 27.80 11.20 4 8 -22 38.30 7.30 4 8 -22 32.10 8.60 -4 -8 22 42.70 9.60 3 8 -22 153.98 13.50 3 8 -22 158.78 14.10 3 8 -22 162.58 14.00 -3 -8 22 97.29 14.70 2 8 -22 45.00 7.80 2 8 -22 32.60 9.00 2 8 -22 41.10 8.80 1 8 -22 193.08 16.00 1 8 -22 207.18 13.40 1 8 -22 225.68 15.90 0 8 -22 57.49 7.60 0 8 -22 9.60 12.10 0 -8 22 62.69 9.80 -1 8 -22 50.79 7.40 -1 8 -22 52.59 10.20 1 -8 22 28.30 15.90 -2 8 -22 -7.00 7.80 -2 8 -22 -3.40 5.60 2 -8 22 -17.30 9.90 -15 -7 22 4.60 7.20 -14 -7 22 14.30 7.90 -13 -7 22 28.40 8.50 12 7 -22 41.40 9.10 -12 -7 22 42.50 9.20 11 7 -22 -5.80 10.60 11 7 -22 -1.20 6.30 -11 -7 22 10.00 7.40 10 7 -22 192.98 14.90 10 7 -22 198.68 15.50 -10 -7 22 231.58 18.90 9 7 -22 18.00 8.10 9 7 -22 4.10 7.30 9 7 -22 19.10 7.10 -9 -7 22 25.10 8.40 8 7 -22 273.87 28.60 8 7 -22 264.57 14.40 8 7 -22 252.87 15.30 -8 -7 22 252.07 17.10 7 7 -22 53.49 9.00 7 7 -22 69.99 8.80 7 7 -22 72.99 9.40 -7 -7 22 78.69 11.20 6 7 -22 87.49 9.40 6 7 -22 116.39 12.00 6 7 -22 127.09 13.00 -6 -7 22 85.99 12.10 5 7 -22 110.19 12.50 5 7 -22 127.19 12.50 5 7 -22 88.09 9.30 -5 -7 22 138.19 13.90 4 7 -22 58.99 8.70 4 7 -22 49.30 8.40 4 7 -22 53.29 8.90 -4 -7 22 45.90 10.00 3 7 -22 114.89 12.40 3 7 -22 146.19 13.40 3 7 -22 135.29 13.20 -3 -7 22 111.29 14.60 2 7 -22 -0.10 5.70 2 7 -22 2.40 7.90 2 7 -22 27.00 9.10 -2 -7 22 12.10 9.90 1 7 -22 1.90 5.80 1 7 -22 9.70 7.00 1 7 -22 46.80 16.10 -1 -7 22 -2.90 7.10 0 7 -22 20.00 9.50 0 7 -22 5.10 5.80 0 7 -22 11.60 7.50 0 -7 22 -11.10 7.00 -1 7 -22 16.60 7.50 -1 7 -22 1.70 5.60 -1 7 -22 1.90 9.00 1 -7 22 2.20 8.00 -2 7 -22 2.20 5.70 -2 7 -22 -13.10 7.50 2 -7 22 -7.00 8.40 -15 -6 22 54.39 10.20 14 6 -22 3.40 8.20 -14 -6 22 15.80 7.50 13 6 -22 94.89 14.60 -13 -6 22 124.09 14.00 12 6 -22 37.40 8.90 12 6 -22 69.09 13.60 11 6 -22 155.78 13.10 11 6 -22 135.39 13.90 -11 -6 22 162.78 13.80 10 6 -22 213.98 16.10 10 6 -22 206.08 13.80 -10 -6 22 218.28 19.90 9 6 -22 10.10 7.10 9 6 -22 8.60 7.60 9 6 -22 18.50 7.50 -9 -6 22 25.50 8.60 8 6 -22 134.39 11.90 8 6 -22 159.08 12.50 8 6 -22 124.29 19.30 -8 -6 22 179.08 14.80 7 6 -22 -0.40 6.60 7 6 -22 4.10 6.70 7 6 -22 15.60 5.70 -7 -6 22 -1.40 7.20 6 6 -22 101.89 10.80 6 6 -22 106.49 11.40 6 6 -22 80.19 10.00 -6 -6 22 81.39 10.90 5 6 -22 13.30 7.10 5 6 -22 6.70 6.00 5 6 -22 13.80 6.70 -5 -6 22 8.20 7.60 4 6 -22 19.40 7.00 4 6 -22 0.20 6.20 4 6 -22 7.10 6.30 -4 -6 22 9.90 8.40 3 6 -22 -6.70 5.60 3 6 -22 11.20 7.20 3 6 -22 3.30 6.80 -3 -6 22 4.50 8.10 2 6 -22 57.79 9.20 2 6 -22 28.70 7.70 2 6 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-5 -5 22 -1.20 7.30 4 5 -22 44.00 6.90 4 5 -22 40.70 7.80 4 5 -22 45.50 7.20 -4 -5 22 53.69 10.70 3 5 -22 86.49 10.00 3 5 -22 82.89 8.60 3 5 -22 109.89 11.20 -3 -5 22 66.99 10.80 2 5 -22 294.57 15.00 2 5 -22 275.27 14.40 2 5 -22 293.47 16.20 -2 -5 22 265.57 18.80 1 5 -22 140.19 12.40 1 5 -22 109.49 10.90 1 5 -22 106.59 11.80 -1 -5 22 92.49 13.40 0 5 -22 274.07 16.30 0 5 -22 222.28 14.60 0 5 -22 228.48 14.40 -1 5 -22 13.90 7.30 -1 5 -22 21.90 6.60 -1 5 -22 9.60 9.00 1 -5 22 -6.40 6.60 -2 5 -22 215.38 24.60 -2 5 -22 200.28 15.60 -2 5 -22 186.58 12.40 2 -5 22 158.08 15.60 14 4 -22 56.39 9.50 -14 -4 22 69.19 9.00 13 4 -22 -6.90 6.60 -13 -4 22 19.40 6.70 -12 -4 22 37.30 7.20 11 4 -22 4.00 6.70 10 4 -22 7.80 6.60 -10 -4 22 -2.60 8.20 9 4 -22 31.80 7.60 -9 -4 22 32.60 9.00 8 4 -22 19.00 8.10 -8 -4 22 10.00 7.80 7 4 -22 151.68 15.60 -7 -4 22 177.18 15.60 6 4 -22 143.59 14.30 -6 -4 22 122.39 14.10 5 4 -22 213.28 15.10 -5 -4 22 209.48 15.90 4 4 -22 69.59 9.20 -4 -4 22 70.89 11.10 3 4 -22 381.06 18.10 -3 -4 22 394.16 21.20 2 4 -22 1.80 6.40 2 4 -22 -0.40 5.80 -2 -4 22 11.70 7.20 1 4 -22 179.48 13.00 -1 -4 22 148.29 15.40 0 4 -22 27.90 7.10 0 4 -22 55.89 9.30 0 4 -22 49.70 7.40 0 -4 22 53.29 16.30 -1 4 -22 28.10 9.90 -1 4 -22 24.00 7.00 -1 4 -22 20.00 6.80 -2 4 -22 -3.70 7.30 -2 4 -22 1.50 5.40 2 -4 22 15.40 10.90 -15 -3 22 -1.60 6.30 11 3 -22 6.40 6.60 10 3 -22 251.27 17.10 -10 -3 22 255.77 24.10 9 3 -22 3.00 7.00 -9 -3 22 3.60 7.30 8 3 -22 379.96 19.60 -8 -3 22 362.16 19.60 -7 -3 22 -12.60 7.30 6 3 -22 196.08 15.30 -6 -3 22 220.28 16.50 5 3 -22 -6.00 5.70 -5 -3 22 6.00 7.60 4 3 -22 79.79 9.90 -4 -3 22 70.39 10.90 3 3 -22 10.10 6.70 -3 -3 22 13.20 8.10 2 3 -22 -5.00 5.60 -2 -3 22 8.00 7.90 1 3 -22 6.20 5.60 -1 -3 22 8.60 7.50 0 3 -22 11.60 6.00 0 -3 22 22.10 9.00 -1 3 -22 52.89 8.20 -1 3 -22 35.20 7.70 -2 3 -22 7.00 6.90 11 2 -22 151.18 15.40 10 2 -22 43.10 8.90 9 2 -22 102.89 12.00 -9 -2 22 134.09 14.40 8 2 -22 79.99 11.60 -8 -2 22 62.39 10.30 7 2 -22 85.59 11.30 -7 -2 22 88.09 12.50 6 2 -22 -8.30 12.90 -6 -2 22 10.80 7.60 5 2 -22 9.90 6.40 -5 -2 22 15.70 7.50 4 2 -22 15.30 6.60 -4 -2 22 22.80 8.90 3 2 -22 -6.60 5.60 -3 -2 22 10.30 7.50 2 2 -22 52.79 8.60 -2 -2 22 37.40 9.30 1 2 -22 1.50 5.60 -1 -2 22 6.10 8.00 0 2 -22 207.88 14.40 0 -2 22 213.68 17.50 -1 2 -22 31.00 7.00 10 1 -22 -0.10 7.20 9 1 -22 2.70 6.20 -9 -1 22 -3.40 8.00 8 1 -22 -4.80 5.70 -8 -1 22 7.50 7.70 7 1 -22 18.40 7.10 -7 -1 22 24.30 8.30 6 1 -22 -4.80 5.70 -6 -1 22 2.90 6.70 4 1 -22 3.10 9.00 -4 -1 22 1.20 8.10 3 1 -22 123.39 12.60 -3 -1 22 82.19 11.40 2 1 -22 71.19 9.40 -2 -1 22 52.49 9.90 -1 -1 22 148.99 15.30 0 1 -22 96.09 10.00 0 -1 22 89.29 12.10 -1 1 -22 56.49 8.60 1 -1 22 63.19 16.00 10 0 -22 53.49 15.70 9 0 -22 9.90 7.10 -9 0 22 6.60 9.60 8 0 -22 94.39 11.60 -8 0 22 127.89 13.70 7 0 -22 143.09 14.30 -7 0 22 111.49 13.50 6 0 -22 134.89 13.30 -6 0 22 129.29 13.80 5 0 -22 211.98 15.50 -5 0 22 228.98 16.70 4 0 -22 35.40 8.20 -4 0 22 39.40 8.90 3 0 -22 122.19 14.10 -3 0 22 161.08 14.80 -2 0 22 48.60 10.50 1 0 -22 61.79 12.40 -1 0 22 94.19 12.60 0 0 -22 9.00 6.50 0 0 22 6.70 7.50 8 -1 -22 249.97 16.80 -8 1 22 244.58 19.90 7 -1 -22 14.90 7.00 -7 1 22 19.40 8.20 6 -1 -22 179.08 14.70 -6 1 22 188.68 15.50 5 -1 -22 3.40 6.90 -5 1 22 2.50 8.00 4 -1 -22 57.39 9.20 -4 1 22 65.89 10.80 3 -1 -22 18.20 7.00 -3 1 22 1.30 7.10 2 -1 -22 -3.70 6.70 -2 1 22 10.60 7.60 1 -1 -22 -6.10 5.90 -1 1 22 11.80 7.80 -7 2 22 53.79 10.60 6 -2 -22 2.00 6.10 -6 2 22 5.00 7.20 5 -2 -22 6.90 7.60 -5 2 22 13.20 8.50 4 -2 -22 17.40 7.10 -4 2 22 16.00 8.30 3 -2 -22 13.80 7.90 -3 2 22 32.90 8.70 2 -2 -22 62.09 9.50 -2 2 22 61.19 10.60 -6 3 22 1.80 7.80 -5 3 22 154.68 14.90 -4 3 22 3.30 6.80 -3 3 22 302.67 18.70 8 12 -23 89.79 12.40 8 12 -23 89.29 11.40 7 12 -23 27.90 8.40 7 12 -23 33.00 10.30 6 12 -23 14.30 7.00 6 12 -23 11.10 8.30 5 12 -23 3.20 8.00 5 12 -23 5.40 6.80 4 12 -23 26.50 7.40 4 12 -23 18.50 8.50 3 12 -23 -7.70 6.30 -10 -11 23 16.00 9.00 9 11 -23 -1.40 7.10 -9 -11 23 10.30 8.10 8 11 -23 -11.30 8.60 8 11 -23 3.40 7.40 7 11 -23 1.10 7.90 7 11 -23 21.30 7.50 6 11 -23 13.10 8.60 6 11 -23 27.50 10.50 5 11 -23 1.40 6.40 5 11 -23 -4.20 7.20 4 11 -23 48.60 10.20 4 11 -23 46.40 7.90 3 11 -23 18.30 7.30 3 11 -23 -3.00 8.20 2 11 -23 258.07 18.10 2 11 -23 230.38 15.00 -11 -10 23 -15.50 8.10 -10 -10 23 -6.00 8.00 9 10 -23 23.20 7.90 9 10 -23 22.00 9.30 8 10 -23 18.40 9.90 8 10 -23 6.70 5.80 7 10 -23 90.99 11.00 7 10 -23 107.79 12.90 6 10 -23 19.80 8.80 6 10 -23 38.50 15.10 5 10 -23 87.79 11.80 5 10 -23 83.69 10.80 4 10 -23 33.00 9.90 3 10 -23 180.38 16.90 3 10 -23 147.59 13.30 2 10 -23 70.29 9.10 2 10 -23 55.19 11.30 1 10 -23 31.90 7.30 1 10 -23 51.59 11.10 -11 -9 23 2.20 7.60 -10 -9 23 154.88 16.50 9 9 -23 170.68 14.90 9 9 -23 147.49 16.30 8 9 -23 164.18 14.50 8 9 -23 98.99 12.00 7 9 -23 190.88 16.30 7 9 -23 240.38 16.20 6 9 -23 4.20 9.20 6 9 -23 13.90 7.80 6 9 -23 40.30 10.60 5 9 -23 156.78 15.50 5 9 -23 193.88 15.30 4 9 -23 14.10 6.90 4 9 -23 -13.80 7.20 3 9 -23 9.10 8.50 3 9 -23 14.30 6.40 2 9 -23 4.50 6.40 2 9 -23 6.80 8.30 1 9 -23 3.20 6.00 1 9 -23 -2.60 8.10 -12 -8 23 92.79 11.40 11 8 -23 -7.10 8.90 -11 -8 23 7.90 7.50 10 8 -23 130.19 14.60 9 8 -23 -13.20 7.80 9 8 -23 15.70 6.80 9 8 -23 -22.10 8.20 8 8 -23 105.39 11.60 8 8 -23 138.79 14.20 8 8 -23 159.78 14.70 7 8 -23 4.00 8.70 7 8 -23 0.70 6.70 7 8 -23 0.80 6.20 6 8 -23 19.20 7.90 6 8 -23 38.70 10.50 6 8 -23 26.30 9.40 5 8 -23 1.60 6.30 5 8 -23 7.00 7.40 5 8 -23 11.30 8.80 4 8 -23 -8.40 6.20 4 8 -23 -16.90 8.40 4 8 -23 -1.80 7.30 3 8 -23 -5.80 6.30 3 8 -23 6.90 8.70 3 8 -23 -3.40 6.80 2 8 -23 67.69 10.10 2 8 -23 42.70 8.10 2 8 -23 52.89 10.40 1 8 -23 74.99 10.30 1 8 -23 83.69 9.50 0 8 -23 3.30 8.10 0 8 -23 11.70 6.20 -13 -7 23 174.08 15.90 12 7 -23 -5.00 9.00 -12 -7 23 -1.50 7.40 11 7 -23 1.20 9.90 -11 -7 23 19.10 8.30 10 7 -23 -5.30 11.50 10 7 -23 3.60 6.00 10 7 -23 -4.70 8.80 9 7 -23 1.80 7.50 9 7 -23 -3.80 8.00 9 7 -23 6.30 7.20 8 7 -23 3.20 6.50 8 7 -23 -1.20 6.60 8 7 -23 -6.60 7.70 7 7 -23 23.20 6.70 7 7 -23 14.50 8.00 7 7 -23 21.70 6.70 6 7 -23 7.60 10.40 6 7 -23 8.80 7.00 6 7 -23 7.80 7.80 5 7 -23 20.90 7.30 5 7 -23 34.70 9.00 5 7 -23 23.00 7.90 4 7 -23 95.99 10.60 4 7 -23 98.49 10.80 4 7 -23 91.29 10.80 3 7 -23 7.50 8.80 3 7 -23 23.80 8.90 3 7 -23 18.30 7.20 2 7 -23 315.77 24.40 2 7 -23 270.37 15.80 2 7 -23 251.87 21.10 1 7 -23 12.10 10.70 1 7 -23 1.40 7.70 1 7 -23 -11.20 5.90 0 7 -23 218.98 14.10 0 7 -23 182.98 19.40 0 7 -23 218.78 16.40 -13 -6 23 27.10 8.10 12 6 -23 0.30 8.80 -12 -6 23 8.90 12.00 11 6 -23 8.40 8.00 11 6 -23 -0.90 8.40 10 6 -23 -5.80 8.00 10 6 -23 16.80 7.30 10 6 -23 -8.30 7.80 9 6 -23 73.09 10.20 9 6 -23 83.49 9.30 9 6 -23 77.79 8.90 8 6 -23 3.20 5.70 8 6 -23 -9.90 7.40 8 6 -23 6.80 6.60 7 6 -23 206.68 14.10 7 6 -23 218.98 14.10 7 6 -23 257.07 16.70 6 6 -23 -13.20 7.20 6 6 -23 -9.70 6.20 5 6 -23 173.08 14.70 5 6 -23 153.38 13.00 5 6 -23 153.98 13.00 4 6 -23 12.70 7.70 4 6 -23 5.10 6.60 4 6 -23 11.40 7.70 3 6 -23 200.28 14.60 3 6 -23 182.28 14.30 3 6 -23 174.68 14.00 2 6 -23 38.00 8.20 2 6 -23 43.20 9.80 2 6 -23 34.50 7.50 1 6 -23 12.10 6.30 1 6 -23 19.30 8.10 1 6 -23 28.00 11.10 0 6 -23 20.90 6.80 0 6 -23 5.20 12.70 -13 -5 23 -4.30 6.40 11 5 -23 4.00 8.00 11 5 -23 19.80 7.10 10 5 -23 281.77 21.60 9 5 -23 52.49 9.10 8 5 -23 198.08 15.60 7 5 -23 81.29 10.60 6 5 -23 25.50 8.40 5 5 -23 34.70 10.50 4 5 -23 63.49 9.00 3 5 -23 27.00 7.30 2 5 -23 4.90 9.70 2 5 -23 -10.00 5.90 2 5 -23 -0.20 6.30 1 5 -23 42.20 7.80 1 5 -23 45.70 7.20 0 5 -23 3.20 5.70 0 5 -23 -7.70 7.60 9 4 -23 12.40 6.80 8 4 -23 53.69 9.10 7 4 -23 -10.30 6.00 6 4 -23 6.00 5.90 5 4 -23 12.90 10.40 4 4 -23 3.40 6.80 3 4 -23 -3.00 6.50 2 4 -23 155.78 13.00 1 4 -23 28.60 7.50 9 3 -23 -1.80 7.00 8 3 -23 2.10 6.50 7 3 -23 37.10 8.50 6 3 -23 30.60 8.10 5 3 -23 77.79 10.30 4 3 -23 50.69 14.10 3 3 -23 33.50 9.10 2 3 -23 194.08 14.80 1 3 -23 18.40 6.40 8 2 -23 21.70 7.70 7 2 -23 222.38 16.90 6 2 -23 28.40 7.80 5 2 -23 192.98 14.90 4 2 -23 3.60 6.60 3 2 -23 80.69 10.70 7 1 -23 23.40 8.10 6 1 -23 63.39 10.10 5 1 -23 9.40 7.50 4 1 -23 9.60 6.80 3 1 -23 -4.90 6.60 2 1 -23 7.00 6.80 6 0 -23 -6.90 8.10 5 0 -23 33.20 8.10 4 0 -23 68.09 9.90 3 0 -23 0.10 6.70 8 8 -24 34.30 8.90 7 8 -24 256.37 17.60 7 8 -24 258.17 16.90 7 8 -24 147.59 24.20 6 8 -24 49.60 20.10 6 8 -24 96.49 11.20 6 8 -24 90.19 10.90 5 8 -24 64.99 9.90 8 7 -24 53.29 9.50 8 7 -24 66.69 11.10 7 7 -24 100.69 11.80 7 7 -24 101.19 11.40 6 7 -24 3.40 8.50 6 7 -24 9.30 7.90 5 7 -24 140.69 14.50 5 7 -24 96.39 11.50 9 6 -24 10.80 7.40 8 6 -24 20.80 7.20 8 6 -24 29.10 11.10 7 6 -24 2.40 7.00 7 6 -24 4.10 7.10 6 6 -24 1.40 7.10 6 6 -24 -5.40 7.60 5 6 -24 0.20 6.60 5 6 -24 6.70 6.80 7 5 -24 8.00 7.70 6 5 -24 38.90 8.40 5 5 -24 32.50 8.80 7 4 -24 144.99 16.10 6 4 -24 3.10 7.10 5 4 -24 69.69 11.00 0 0 0 0.00 0.00 _computing_structure_solution 'SHELXT 2014/5 (Sheldrick, 2014)' ; _shelx_hkl_checksum 37074 _olex2_submission_special_instructions 'No special instructions were received' loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, -y, -z' 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 Ir01 Ir 0.23224(2) 0.22721(2) 0.50206(2) 0.01530(4) Uani 1 1 d . . . . . Ir02 Ir 0.69514(2) 0.50611(2) 0.89025(2) 0.01708(4) Uani 1 1 d . . . . . S003 S 0.13548(10) 0.08458(10) 0.72477(9) 0.0654(5) Uani 1 1 d . . . . . F004 F 0.19789(14) 0.00709(13) 0.22630(14) 0.0307(5) Uani 1 1 d . . . . . O005 O 0.58470(15) 0.49434(15) 0.92307(15) 0.0193(5) Uani 1 1 d . . . . . F006 F 0.30205(14) 0.46161(14) 0.38052(15) 0.0315(5) Uani 1 1 d . . . . . O007 O 0.29629(14) 0.28940(15) 0.62636(15) 0.0191(5) Uani 1 1 d . . . . . O008 O 0.58510(15) 0.41858(15) 0.80786(15) 0.0202(5) Uani 1 1 d . . . . . F009 F 0.88657(17) 0.58838(15) 0.72943(17) 0.0393(6) Uani 1 1 d . . . . . O00A O 0.15678(15) 0.15908(15) 0.54490(16) 0.0209(6) Uani 1 1 d . . . . . F00B F 0.94715(16) 0.58443(15) 1.16254(16) 0.0415(7) Uani 1 1 d . . . . . N00C N 0.12940(18) 0.28095(17) 0.47200(18) 0.0176(6) Uani 1 1 d . . . . . N00D N 0.33698(18) 0.17503(17) 0.51888(18) 0.0179(6) Uani 1 1 d . . . . . N00E N 0.66584(18) 0.61452(17) 0.87352(19) 0.0188(6) Uani 1 1 d . . . . . N00F N 0.00279(17) 0.26820(17) 0.39139(18) 0.0177(6) Uani 1 1 d . . . . . N00G N 0.73404(18) 0.40381(18) 0.91090(19) 0.0195(7) Uani 1 1 d . . . . . N00H N 0.47067(18) 0.19592(18) 0.54638(19) 0.0190(6) Uani 1 1 d . . . . . N00I N 0.6834(2) 0.74360(19) 0.9284(2) 0.0256(7) Uani 1 1 d . . . . . N00J N 0.77946(19) 0.29531(18) 0.86086(19) 0.0216(7) Uani 1 1 d . . . . . C00K C 0.2992(2) 0.2980(2) 0.4681(2) 0.0172(7) Uani 1 1 d . . . . . C00L C 0.7802(2) 0.5774(2) 0.9839(2) 0.0206(8) Uani 1 1 d . . . . . C00M C 0.0993(2) 0.1762(2) 0.3508(2) 0.0167(7) Uani 1 1 d . . . . . C00N C 0.1784(2) 0.1626(2) 0.3898(2) 0.0179(7) Uani 1 1 d . . . . . C00O C 0.5390(2) 0.6086(2) 0.7549(2) 0.0216(8) Uani 1 1 d . . . . . C00P C 0.3994(2) 0.2225(2) 0.5180(2) 0.0180(7) Uani 1 1 d . . . . . C00Q C 0.0746(2) 0.2399(2) 0.4022(2) 0.0170(7) Uani 1 1 d . . . . . C00R C 0.6042(2) 0.6459(2) 0.8273(2) 0.0217(8) Uani 1 1 d . . . . . C00S C 0.5308(2) 0.5287(2) 0.7130(2) 0.0243(8) Uani 1 1 d . . . . . H00S H 0.571169 0.498067 0.731581 0.029 Uiso 1 1 calc R U . . . C00T C 0.5499(2) 0.4382(2) 0.8601(2) 0.0186(8) Uani 1 1 d . . . . . C00U C 0.7797(2) 0.6593(2) 0.9946(2) 0.0215(8) Uani 1 1 d . . . . . C00V C 0.3285(2) 0.4038(2) 0.4152(2) 0.0222(8) Uani 1 1 d . . . . . C00W C -0.0706(2) 0.2349(2) 0.3252(2) 0.0218(8) Uani 1 1 d . . . . . C00X C 0.0125(2) 0.3315(2) 0.4576(2) 0.0190(8) Uani 1 1 d . . . . . C00Y C 0.4808(2) 0.6555(2) 0.7240(2) 0.0231(8) Uani 1 1 d . . . . . C00Z C 0.1644(2) 0.0631(2) 0.2680(2) 0.0210(8) Uani 1 1 d . . . . . C010 C 0.4167(2) 0.3555(2) 0.7750(2) 0.0184(7) Uani 1 1 d . . . . . H010 H 0.431865 0.353464 0.728519 0.022 Uiso 1 1 calc R U . . . C011 C 0.2733(2) 0.3570(2) 0.4314(2) 0.0208(8) Uani 1 1 d . . . . . H011 H 0.218061 0.364686 0.417943 0.025 Uiso 1 1 calc R U . . . C012 C 0.4696(2) 0.3966(2) 0.8503(2) 0.0200(8) Uani 1 1 d . . . . . C013 C 0.6135(2) 0.7258(2) 0.8617(2) 0.0255(9) Uani 1 1 d . . . . . C014 C 0.7130(2) 0.6751(2) 0.9336(2) 0.0220(8) Uani 1 1 d . . . . . C015 C 0.8051(2) 0.5505(2) 0.8005(2) 0.0234(8) Uani 1 1 d . . . . . H015 H 0.785552 0.599681 0.805061 0.028 Uiso 1 1 calc R U . . . C016 C 0.3418(2) 0.3175(2) 0.7675(2) 0.0221(8) Uani 1 1 d . . . . . C017 C 0.4654(3) 0.4948(3) 0.6459(2) 0.0283(9) Uani 1 1 d . . . . . H017 H 0.459148 0.440315 0.619914 0.034 Uiso 1 1 calc R U . . . C018 C 0.7185(3) 0.8194(2) 0.9849(3) 0.0296(9) Uani 1 1 d . . . . . C019 C 0.4365(2) 0.3372(2) 0.4667(2) 0.0229(8) Uani 1 1 d . . . . . H019 H 0.491677 0.329593 0.477986 0.028 Uiso 1 1 calc R U . . . C01A C 0.3825(2) 0.2893(2) 0.4855(2) 0.0192(8) Uani 1 1 d . . . . . C01B C 0.5485(2) 0.2412(2) 0.5626(2) 0.0186(8) Uani 1 1 d . . . . . C01C C 0.7759(2) 0.3727(2) 0.8628(2) 0.0197(8) Uani 1 1 d . . . . . C01D C 0.4092(2) 0.3957(2) 0.4318(2) 0.0240(8) Uani 1 1 d . . . . . H01D H 0.445152 0.429444 0.419652 0.029 Uiso 1 1 calc R U . . . C01E C 0.6648(2) 0.4252(2) 1.0502(2) 0.0222(8) Uani 1 1 d . . . . . H01E H 0.682229 0.472469 1.040229 0.027 Uiso 1 1 calc R U . . . C01F C 0.6754(2) 0.3525(2) 1.0046(2) 0.0202(8) Uani 1 1 d . . . . . C01G C 0.7374(2) 0.2774(2) 0.9107(2) 0.0215(8) Uani 1 1 d . . . . . C01H C 0.6297(3) 0.4283(3) 1.1087(2) 0.0285(9) Uani 1 1 d . . . . . H01H H 0.621942 0.477372 1.138641 0.034 Uiso 1 1 calc R U . . . C01I C 0.2864(2) 0.2702(2) 0.6864(2) 0.0208(8) Uani 1 1 d . . . . . C01J C 0.8366(2) 0.7142(2) 1.0601(2) 0.0267(9) Uani 1 1 d . . . . . H01J H 0.835966 0.768805 1.065755 0.032 Uiso 1 1 calc R U . . . C01K C -0.0462(2) 0.3780(2) 0.4798(2) 0.0198(8) Uani 1 1 d . . . . . C01L C 0.7777(2) 0.4960(2) 0.8335(2) 0.0191(8) Uani 1 1 d . . . . . C01M C 0.5157(2) -0.0336(2) 0.6581(2) 0.0245(8) Uani 1 1 d . . . . . H01M H 0.491334 -0.074814 0.672448 0.029 Uiso 1 1 calc R U . . . C01N C 0.0920(2) 0.3404(2) 0.5063(2) 0.0181(7) Uani 1 1 d . . . . . C01O C 0.1136(2) 0.1057(2) 0.6341(3) 0.0264(9) Uani 1 1 d . . . . . C01P C 0.7169(2) 0.2040(2) 0.9262(2) 0.0240(8) Uani 1 1 d . . . . . C01Q C -0.0164(2) 0.4374(2) 0.5541(2) 0.0226(8) Uani 1 1 d . . . . . C01R C 0.3773(2) -0.0047(2) 0.5914(2) 0.0205(8) Uani 1 1 d . . . . . C01S C 0.4168(2) 0.6188(3) 0.6531(2) 0.0274(9) Uani 1 1 d . . . . . H01S H 0.378300 0.649292 0.630511 0.033 Uiso 1 1 calc R U . . . C01T C 0.3729(2) 0.3639(2) 0.9114(2) 0.0283(9) Uani 1 1 d . . . . . H01T H 0.357519 0.367004 0.957967 0.034 Uiso 1 1 calc R U . . . C01U C 0.0552(2) 0.1345(2) 0.2716(2) 0.0209(8) Uani 1 1 d . . . . . H01U H 0.002849 0.145779 0.246822 0.025 Uiso 1 1 calc R U . . . C01V C 0.8088(2) 0.4234(2) 0.8245(2) 0.0209(8) Uani 1 1 d . . . . . C01W C 0.0687(2) 0.4509(2) 0.6029(2) 0.0225(8) Uani 1 1 d . . . . . C01X C -0.1192(2) 0.1722(2) 0.3282(2) 0.0242(8) Uani 1 1 d . . . . . H01X H -0.103503 0.150033 0.372183 0.029 Uiso 1 1 calc R U . . . C01Y C 0.4661(2) 0.0125(2) 0.6174(2) 0.0214(8) Uani 1 1 d . . . . . C01Z C 0.3201(2) 0.3234(2) 0.8371(2) 0.0280(9) Uani 1 1 d . . . . . H01Z H 0.268337 0.299249 0.832779 0.034 Uiso 1 1 calc R U . . . C020 C -0.0726(3) 0.4831(2) 0.5777(3) 0.0271(9) Uani 1 1 d . . . . . H020 H -0.054255 0.524349 0.626153 0.033 Uiso 1 1 calc R U . . . C021 C 0.6541(2) 0.2822(2) 1.0227(2) 0.0242(8) Uani 1 1 d . . . . . C022 C 0.4484(2) 0.4000(2) 0.9188(2) 0.0237(8) Uani 1 1 d . . . . . H022 H 0.485242 0.426916 0.970239 0.028 Uiso 1 1 calc R U . . . C023 C 0.4522(2) 0.1263(2) 0.5648(2) 0.0193(8) Uani 1 1 d . . . . . C024 C 0.7121(2) 0.3461(2) 0.9429(2) 0.0208(8) Uani 1 1 d . . . . . C025 C 0.6451(2) 0.3553(2) 0.6392(3) 0.0277(9) Uani 1 1 d . . . . . H025 H 0.663191 0.401228 0.683122 0.033 Uiso 1 1 calc R U . . . C026 C 0.1699(2) 0.1611(2) 0.6178(2) 0.0213(8) Uani 1 1 d . . . . . C027 C 0.1247(2) 0.4044(2) 0.5778(2) 0.0207(8) Uani 1 1 d . . . . . C028 C 0.4874(2) 0.7386(2) 0.7661(2) 0.0240(8) Uani 1 1 d . . . . . C029 C 0.5748(2) 0.3067(2) 0.6282(2) 0.0222(8) Uani 1 1 d . . . . . H029 H 0.545344 0.318155 0.665048 0.027 Uiso 1 1 calc R U . . . C02A C 0.2076(2) 0.4241(2) 0.6208(2) 0.0260(9) Uani 1 1 d . . . . . H02A H 0.245144 0.395660 0.601264 0.031 Uiso 1 1 calc R U . . . C02B C 0.0883(2) 0.0768(2) 0.2294(2) 0.0227(8) Uani 1 1 d . . . . . H02B H 0.059381 0.047648 0.175741 0.027 Uiso 1 1 calc R U . . . C02C C -0.1531(3) 0.4699(2) 0.5328(3) 0.0315(10) Uani 1 1 d . . . . . H02C H -0.189627 0.500979 0.551051 0.038 Uiso 1 1 calc R U . . . C02D C 0.3285(2) 0.0442(2) 0.5526(2) 0.0194(8) Uani 1 1 d . . . . . C02E C 0.2095(2) 0.1033(2) 0.3458(2) 0.0207(8) Uani 1 1 d . . . . . H02E H 0.261642 0.090719 0.369447 0.025 Uiso 1 1 calc R U . . . C02F C 0.8660(2) 0.4082(2) 0.7852(2) 0.0241(8) Uani 1 1 d . . . . . H02F H 0.886635 0.359526 0.780394 0.029 Uiso 1 1 calc R U . . . C02G C 0.3692(2) 0.1137(2) 0.5461(2) 0.0179(7) Uani 1 1 d . . . . . C02H C 0.8934(2) 0.6891(2) 1.1161(3) 0.0304(9) Uani 1 1 d . . . . . H02H H 0.932859 0.725547 1.160328 0.036 Uiso 1 1 calc R U . . . C02I C 0.8607(3) 0.5330(2) 0.7612(3) 0.0267(9) Uani 1 1 d . . . . . C02J C 0.5893(2) 0.0866(2) 0.6192(3) 0.0260(9) Uani 1 1 d . . . . . H02J H 0.614998 0.127719 0.605807 0.031 Uiso 1 1 calc R U . . . C02K C 0.5044(2) 0.0757(2) 0.5996(2) 0.0201(8) Uani 1 1 d . . . . . C02L C 0.1000(3) 0.5103(2) 0.6765(2) 0.0295(9) Uani 1 1 d . . . . . H02L H 0.063763 0.540461 0.696454 0.035 Uiso 1 1 calc R U . . . C02M C -0.0912(2) 0.2674(2) 0.2609(2) 0.0268(9) Uani 1 1 d . . . . . H02M H -0.056367 0.309741 0.259077 0.032 Uiso 1 1 calc R U . . . C02N C 0.2076(2) -0.0450(2) 0.5283(2) 0.0249(8) Uani 1 1 d . . . . . H02N H 0.150541 -0.059521 0.505931 0.030 Uiso 1 1 calc R U . . . C02O C 0.8144(2) 0.2434(2) 0.8101(3) 0.0247(9) Uani 1 1 d . . . . . C02P C 0.4083(2) 0.5405(3) 0.6159(3) 0.0299(9) Uani 1 1 d . . . . . H02P H 0.363178 0.517131 0.569336 0.036 Uiso 1 1 calc R U . . . C02Q C 0.2438(2) 0.0219(2) 0.5196(2) 0.0224(8) Uani 1 1 d . . . . . H02Q H 0.211525 0.053337 0.491114 0.027 Uiso 1 1 calc R U . . . C02R C 0.8379(2) 0.5534(2) 1.0422(2) 0.0243(8) Uani 1 1 d . . . . . H02R H 0.840117 0.499209 1.037686 0.029 Uiso 1 1 calc R U . . . C02S C 0.6478(3) 0.1360(2) 0.9941(3) 0.0295(9) Uani 1 1 d . . . . . H02S H 0.617152 0.136598 1.029554 0.035 Uiso 1 1 calc R U . . . C02T C -0.1811(2) 0.4115(2) 0.4611(3) 0.0316(10) Uani 1 1 d . . . . . H02T H -0.236881 0.402626 0.430303 0.038 Uiso 1 1 calc R U . . . C02U C 0.2546(2) -0.0915(2) 0.5699(3) 0.0267(9) Uani 1 1 d . . . . . H02U H 0.229359 -0.136917 0.577009 0.032 Uiso 1 1 calc R U . . . C02V C 0.7810(3) 0.8629(3) 0.9749(3) 0.0375(11) Uani 1 1 d . . . . . H02V H 0.800280 0.843914 0.931020 0.045 Uiso 1 1 calc R U . . . C02W C 0.2356(3) 0.4836(2) 0.6905(3) 0.0332(10) Uani 1 1 d . . . . . H02W H 0.291981 0.496210 0.718818 0.040 Uiso 1 1 calc R U . . . C02X C 0.8914(2) 0.6093(2) 1.1059(2) 0.0278(9) Uani 1 1 d . . . . . C02Y C 0.6181(3) 0.2882(3) 1.0833(3) 0.0335(10) Uani 1 1 d . . . . . H02Y H 0.602205 0.242045 1.096073 0.040 Uiso 1 1 calc R U . . . C02Z C 0.5915(2) 0.2220(2) 0.5098(2) 0.0243(8) Uani 1 1 d . . . . . H02Z H 0.572953 0.176606 0.465258 0.029 Uiso 1 1 calc R U . . . C030 C 0.6356(2) 0.0391(2) 0.6572(3) 0.0311(10) Uani 1 1 d . . . . . H030 H 0.692804 0.046808 0.669401 0.037 Uiso 1 1 calc R U . . . C031 C 0.3373(2) -0.0717(2) 0.6005(2) 0.0244(8) Uani 1 1 d . . . . . H031 H 0.368445 -0.104005 0.628668 0.029 Uiso 1 1 calc R U . . . C032 C 0.5983(2) -0.0208(2) 0.6778(3) 0.0292(9) Uani 1 1 d . . . . . H032 H 0.630273 -0.052838 0.705620 0.035 Uiso 1 1 calc R U . . . C033 C 0.6890(2) 0.3372(2) 0.5866(3) 0.0294(9) Uani 1 1 d . . . . . H033 H 0.736923 0.370694 0.594298 0.035 Uiso 1 1 calc R U . . . C034 C 0.6892(3) 0.8463(3) 1.0476(3) 0.0403(11) Uani 1 1 d . . . . . H034 H 0.646562 0.815313 1.053974 0.048 Uiso 1 1 calc R U . . . C035 C 0.4317(3) 0.8613(3) 0.7821(3) 0.0338(10) Uani 1 1 d . . . . . H035 H 0.388402 0.889784 0.765704 0.041 Uiso 1 1 calc R U . . . C036 C 0.5560(3) 0.7755(2) 0.8340(3) 0.0289(9) Uani 1 1 d . . . . . C037 C -0.1290(2) 0.3662(2) 0.4340(3) 0.0268(9) Uani 1 1 d . . . . . H037 H -0.148642 0.326724 0.384195 0.032 Uiso 1 1 calc R U . . . C038 C 0.6055(3) 0.3594(3) 1.1241(3) 0.0334(10) Uani 1 1 d . . . . . H038 H 0.579731 0.361755 1.163743 0.040 Uiso 1 1 calc R U . . . C039 C 0.6726(2) 0.2075(2) 0.9808(2) 0.0251(9) Uani 1 1 d . . . . . C03A C 0.8853(3) 0.2159(2) 0.8420(3) 0.0327(10) Uani 1 1 d . . . . . H03A H 0.912494 0.231088 0.898196 0.039 Uiso 1 1 calc R U . . . C03B C 0.1810(3) 0.5256(3) 0.7198(3) 0.0373(11) Uani 1 1 d . . . . . H03B H 0.199851 0.564833 0.769724 0.045 Uiso 1 1 calc R U . . . C03C C -0.2131(3) 0.1748(3) 0.2027(3) 0.0378(11) Uani 1 1 d . . . . . H03C H -0.262972 0.154538 0.160748 0.045 Uiso 1 1 calc R U . . . C03D C -0.1637(3) 0.2370(3) 0.1994(3) 0.0355(10) Uani 1 1 d . . . . . H03D H -0.179334 0.258773 0.155130 0.043 Uiso 1 1 calc R U . . . C03E C 0.7345(3) 0.1307(2) 0.8884(3) 0.0317(10) Uani 1 1 d . . . . . H03E H 0.763668 0.128081 0.851405 0.038 Uiso 1 1 calc R U . . . C03F C -0.1913(3) 0.1419(3) 0.2660(3) 0.0343(10) Uani 1 1 d . . . . . H03F H -0.225459 0.098614 0.266998 0.041 Uiso 1 1 calc R U . . . C03G C 0.8929(2) 0.4638(2) 0.7532(3) 0.0267(9) Uani 1 1 d . . . . . H03G H 0.932195 0.454576 0.726605 0.032 Uiso 1 1 calc R U . . . C03H C 0.6666(3) 0.0660(3) 0.9576(3) 0.0354(10) Uani 1 1 d . . . . . H03H H 0.649966 0.019133 0.968687 0.042 Uiso 1 1 calc R U . . . C03I C 0.7755(3) 0.2228(2) 0.7275(3) 0.0290(9) Uani 1 1 d . . . . . H03I H 0.726755 0.242312 0.706111 0.035 Uiso 1 1 calc R U . . . C03J C 0.2303(2) 0.2095(2) 0.6843(2) 0.0282(9) Uani 1 1 d . . . . . H03J H 0.233878 0.200116 0.734432 0.034 Uiso 1 1 calc R U . . . C03K C 0.6627(2) 0.2705(3) 0.5231(3) 0.0291(9) Uani 1 1 d . . . . . H03K H 0.693670 0.257471 0.487909 0.035 Uiso 1 1 calc R U . . . C03L C 0.0399(3) 0.0659(3) 0.5825(3) 0.0396(11) Uani 1 1 d . . . . . H03L H 0.016066 0.070299 0.529626 0.047 Uiso 1 1 calc R U . . . C03M C 0.5006(3) 0.8984(3) 0.8451(3) 0.0421(12) Uani 1 1 d . . . . . H03M H 0.505705 0.952887 0.870398 0.051 Uiso 1 1 calc R U . . . C03N C 0.9166(3) 0.1650(3) 0.7898(4) 0.0432(13) Uani 1 1 d . . . . . H03N H 0.964390 0.143942 0.810827 0.052 Uiso 1 1 calc R U . . . C03O C 0.7099(3) 0.0634(3) 0.9046(3) 0.0370(11) Uani 1 1 d . . . . . H03O H 0.722713 0.014593 0.879229 0.044 Uiso 1 1 calc R U . . . C03P C 0.4257(3) 0.7836(3) 0.7431(3) 0.0289(9) Uani 1 1 d . . . . . H03P H 0.378294 0.759330 0.699190 0.035 Uiso 1 1 calc R U . . . C03Q C 0.0471(3) 0.0226(3) 0.6936(3) 0.0469(13) Uani 1 1 d . . . . . H03Q H 0.030863 -0.004893 0.726618 0.056 Uiso 1 1 calc R U . . . C03R C 0.5619(3) 0.8562(3) 0.8711(3) 0.0412(12) Uani 1 1 d . . . . . H03R H 0.608913 0.882015 0.914724 0.049 Uiso 1 1 calc R U . . . C03S C -0.0552(3) 0.3756(3) 0.0698(4) 0.0514(14) Uani 1 1 d . . . . . C03T C 0.8154(3) 0.9356(3) 1.0306(3) 0.0493(13) Uani 1 1 d . . . . . H03T H 0.859249 0.966125 1.025617 0.059 Uiso 1 1 calc R U . . . C03U C 0.0034(3) 0.0165(3) 0.6189(3) 0.0443(12) Uani 1 1 d . . . . . H03U H -0.046812 -0.016970 0.591867 0.053 Uiso 1 1 calc R U . . . C03V C -0.0186(4) -0.2843(3) 0.3347(3) 0.0492(13) Uani 1 1 d . . . . . H03S H -0.025676 -0.250931 0.298049 0.074 Uiso 1 1 calc R U . . . H03V H -0.071047 -0.299918 0.340066 0.074 Uiso 1 1 calc R U . . . H03Y H 0.003167 -0.331279 0.313206 0.074 Uiso 1 1 calc R U . . . C03W C 0.8782(3) 0.1454(3) 0.7082(3) 0.0440(13) Uani 1 1 d . . . . . H03W H 0.900644 0.111879 0.673323 0.053 Uiso 1 1 calc R U . . . C03X C 0.8081(3) 0.1735(3) 0.6765(3) 0.0381(11) Uani 1 1 d . . . . . H03X H 0.782110 0.159476 0.620037 0.046 Uiso 1 1 calc R U . . . C03Y C 0.0362(4) -0.2420(3) 0.4112(3) 0.0467(13) Uani 1 1 d . . . . . N03Z N 0.0789(4) -0.2075(3) 0.4720(3) 0.087(2) Uani 1 1 d . . . . . N040 N -0.1009(4) 0.3538(4) 0.0959(5) 0.090(2) Uani 1 1 d . . . . . C041 C 0.7228(4) 0.9191(3) 1.1014(3) 0.0557(12) Uani 1 1 d . U . . . H041 H 0.702441 0.938833 1.144279 0.067 Uiso 1 1 calc R U . . . C042 C 0.7852(4) 0.9626(3) 1.0925(3) 0.0587(13) Uani 1 1 d . U . . . H042 H 0.808224 1.012268 1.129854 0.070 Uiso 1 1 calc R U . . . C043 C 0.0020(4) 0.4050(4) 0.0371(4) 0.0613(16) Uani 1 1 d . . . . . H04A H -0.026437 0.408428 -0.017071 0.092 Uiso 1 1 calc R U . . . H04B H 0.042394 0.369366 0.034768 0.092 Uiso 1 1 calc R U . . . H04C H 0.029035 0.457233 0.071332 0.092 Uiso 1 1 calc R U . . . C044 C 0.4903(5) 0.8191(4) 1.2055(4) 0.077(2) Uani 1 1 d . . . . . H04D H 0.473352 0.772983 1.158771 0.115 Uiso 1 1 calc R U . . . H04E H 0.442286 0.838543 1.216265 0.115 Uiso 1 1 calc R U . . . H04F H 0.523612 0.804463 1.252373 0.115 Uiso 1 1 calc R U . . . C046 C 0.5369(5) 0.8799(5) 1.1896(4) 0.078(2) Uani 1 1 d . . . . . N047 N 0.5738(6) 0.9297(5) 1.1785(6) 0.124(3) Uani 1 1 d . . . . . C049 C 1.0351(7) 0.8907(6) 0.9982(6) 0.046(2) Uani 0.5 1 d . U P . . C04A C 1.0682(7) 0.8536(6) 0.9421(5) 0.047(3) Uani 0.5 1 d . U P . . H04G H 1.068865 0.885649 0.905186 0.071 Uiso 0.5 1 calc R U P . . H04H H 1.035666 0.802344 0.911904 0.071 Uiso 0.5 1 calc R U P . . H04I H 1.123688 0.846363 0.968978 0.071 Uiso 0.5 1 calc R U P . . N04B N 1.0139(6) 0.9224(7) 1.0437(7) 0.083(4) Uani 0.5 1 d . U P . . N1 N 0.2167(11) 0.2479(8) 0.2298(10) 0.084(2) Uani 0.5 1 d D . P A 1 C2 C 0.1547(13) 0.2491(19) 0.1826(14) 0.084(2) Uani 0.5 1 d D . P A 1 C3 C 0.0875(10) 0.2544(7) 0.1182(9) 0.084(2) Uani 0.5 1 d D . P A 1 H3A H 0.104551 0.253375 0.071214 0.126 Uiso 0.5 1 calc R U P A 1 H3B H 0.066357 0.303560 0.133830 0.126 Uiso 0.5 1 calc R U P A 1 H3C H 0.045123 0.209894 0.105081 0.126 Uiso 0.5 1 calc R U P A 1 N2 N 0.3129(9) 0.2218(6) 0.2710(7) 0.084(2) Uani 0.5 1 d D . P B 2 C1 C 0.2494(10) 0.2349(10) 0.2318(10) 0.084(2) Uani 0.5 1 d D . P B 2 C5 C 0.1707(13) 0.2480(19) 0.1797(14) 0.084(2) Uani 0.5 1 d D . P B 2 H5A H 0.141246 0.197836 0.142334 0.126 Uiso 0.5 1 calc R U P B 2 H5B H 0.180632 0.284163 0.149301 0.126 Uiso 0.5 1 calc R U P B 2 H5C H 0.138413 0.270666 0.213100 0.126 Uiso 0.5 1 calc R U P B 2 loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 Ir01 0.01112(7) 0.01498(7) 0.01802(8) 0.00378(6) 0.00288(5) 0.00096(5) Ir02 0.01548(7) 0.01590(8) 0.01909(8) 0.00459(6) 0.00471(6) 0.00182(6) S003 0.0649(10) 0.0754(11) 0.0510(8) 0.0336(8) 0.0062(7) -0.0277(8) F004 0.0289(13) 0.0268(13) 0.0311(13) -0.0035(10) 0.0098(10) 0.0104(10) O005 0.0153(12) 0.0192(13) 0.0197(13) 0.0031(11) 0.0026(10) 0.0000(10) F006 0.0280(13) 0.0309(13) 0.0450(15) 0.0250(12) 0.0124(11) 0.0091(10) O007 0.0147(12) 0.0211(13) 0.0201(13) 0.0061(11) 0.0033(10) 0.0018(10) O008 0.0177(13) 0.0213(14) 0.0200(13) 0.0040(11) 0.0051(11) 0.0014(11) F009 0.0537(17) 0.0333(14) 0.0550(17) 0.0260(13) 0.0393(14) 0.0171(12) O00A 0.0150(12) 0.0204(13) 0.0254(14) 0.0059(11) 0.0050(11) -0.0017(10) F00B 0.0342(14) 0.0353(15) 0.0382(15) 0.0087(12) -0.0117(12) 0.0058(12) N00C 0.0139(15) 0.0171(15) 0.0203(16) 0.0037(13) 0.0044(12) 0.0011(12) N00D 0.0158(15) 0.0155(15) 0.0223(16) 0.0070(13) 0.0048(13) 0.0004(12) N00E 0.0171(15) 0.0161(15) 0.0224(16) 0.0061(13) 0.0048(13) 0.0019(12) N00F 0.0134(14) 0.0169(15) 0.0202(16) 0.0025(13) 0.0035(12) 0.0019(12) N00G 0.0188(16) 0.0175(16) 0.0219(16) 0.0061(13) 0.0055(13) 0.0029(13) N00H 0.0135(15) 0.0180(16) 0.0261(17) 0.0091(13) 0.0048(13) 0.0024(12) N00I 0.0249(17) 0.0179(17) 0.0300(19) 0.0063(14) 0.0032(15) 0.0027(14) N00J 0.0240(17) 0.0179(16) 0.0238(17) 0.0058(13) 0.0085(14) 0.0043(13) C00K 0.0152(17) 0.0177(18) 0.0145(17) -0.0015(14) 0.0036(14) 0.0012(14) C00L 0.0161(18) 0.022(2) 0.023(2) 0.0058(16) 0.0055(15) 0.0024(15) C00M 0.0148(17) 0.0157(18) 0.0200(18) 0.0046(15) 0.0067(15) 0.0019(14) C00N 0.0138(17) 0.0159(18) 0.0248(19) 0.0078(15) 0.0058(15) 0.0017(14) C00O 0.0217(19) 0.022(2) 0.023(2) 0.0090(16) 0.0092(16) 0.0005(16) C00P 0.0145(17) 0.0165(18) 0.0218(19) 0.0038(15) 0.0054(15) 0.0018(14) C00Q 0.0140(17) 0.0165(18) 0.0204(18) 0.0044(15) 0.0062(15) 0.0016(14) C00R 0.0217(19) 0.021(2) 0.025(2) 0.0102(16) 0.0081(16) 0.0027(16) C00S 0.026(2) 0.024(2) 0.026(2) 0.0110(17) 0.0098(17) 0.0036(17) C00T 0.0174(18) 0.0176(18) 0.0196(19) 0.0064(15) 0.0028(15) 0.0034(15) C00U 0.0184(18) 0.022(2) 0.024(2) 0.0068(16) 0.0057(16) 0.0016(15) C00V 0.026(2) 0.0198(19) 0.023(2) 0.0106(16) 0.0067(16) 0.0083(16) C00W 0.0128(17) 0.022(2) 0.024(2) -0.0017(16) 0.0029(15) 0.0054(15) C00X 0.0197(18) 0.0152(18) 0.0228(19) 0.0032(15) 0.0096(16) 0.0011(15) C00Y 0.0211(19) 0.026(2) 0.026(2) 0.0111(17) 0.0095(16) 0.0024(16) C00Z 0.0229(19) 0.0161(18) 0.026(2) 0.0033(16) 0.0119(16) 0.0068(15) C010 0.0202(18) 0.0170(18) 0.0184(18) 0.0049(15) 0.0064(15) 0.0031(15) C011 0.0173(18) 0.0217(19) 0.023(2) 0.0044(16) 0.0074(15) 0.0046(15) C012 0.0194(18) 0.0172(18) 0.0211(19) 0.0038(15) 0.0043(15) 0.0032(15) C013 0.024(2) 0.023(2) 0.029(2) 0.0114(17) 0.0051(17) 0.0021(16) C014 0.0198(19) 0.0198(19) 0.026(2) 0.0062(16) 0.0078(16) 0.0022(15) C015 0.023(2) 0.023(2) 0.028(2) 0.0098(17) 0.0107(17) 0.0086(16) C016 0.0205(19) 0.022(2) 0.023(2) 0.0074(16) 0.0051(16) 0.0019(16) C017 0.030(2) 0.027(2) 0.027(2) 0.0070(18) 0.0088(18) 0.0019(18) C018 0.029(2) 0.018(2) 0.037(2) 0.0062(18) 0.0036(19) 0.0053(17) C019 0.0161(18) 0.027(2) 0.027(2) 0.0111(17) 0.0056(16) 0.0041(16) C01A 0.0167(18) 0.0185(19) 0.0218(19) 0.0054(15) 0.0052(15) 0.0027(15) C01B 0.0115(17) 0.0178(18) 0.025(2) 0.0080(15) 0.0025(15) 0.0021(14) C01C 0.0168(18) 0.0186(19) 0.0223(19) 0.0045(15) 0.0047(15) 0.0042(15) C01D 0.0196(19) 0.025(2) 0.030(2) 0.0118(17) 0.0094(17) 0.0009(16) C01E 0.0223(19) 0.025(2) 0.0195(19) 0.0090(16) 0.0036(16) 0.0049(16) C01F 0.0199(18) 0.0220(19) 0.0192(19) 0.0081(16) 0.0045(15) 0.0063(15) C01G 0.0231(19) 0.0205(19) 0.0213(19) 0.0070(16) 0.0069(16) 0.0031(16) C01H 0.034(2) 0.030(2) 0.023(2) 0.0079(18) 0.0101(18) 0.0118(19) C01I 0.0159(18) 0.024(2) 0.0215(19) 0.0070(16) 0.0045(15) 0.0048(15) C01J 0.022(2) 0.020(2) 0.033(2) 0.0061(17) 0.0029(17) -0.0003(16) C01K 0.0204(19) 0.0167(18) 0.027(2) 0.0083(16) 0.0120(16) 0.0047(15) C01L 0.0164(18) 0.0232(19) 0.0169(18) 0.0057(15) 0.0043(15) 0.0021(15) C01M 0.0202(19) 0.024(2) 0.030(2) 0.0105(17) 0.0053(17) 0.0062(16) C01N 0.0188(18) 0.0148(18) 0.0211(19) 0.0048(15) 0.0070(15) 0.0031(14) C01O 0.025(2) 0.024(2) 0.032(2) 0.0094(18) 0.0104(18) 0.0015(17) C01P 0.026(2) 0.022(2) 0.023(2) 0.0081(16) 0.0052(17) 0.0022(16) C01Q 0.028(2) 0.0185(19) 0.027(2) 0.0092(16) 0.0155(17) 0.0040(16) C01R 0.0207(19) 0.0199(19) 0.0216(19) 0.0054(16) 0.0079(16) 0.0045(15) C01S 0.0187(19) 0.035(2) 0.030(2) 0.0123(19) 0.0060(17) 0.0059(17) C01T 0.029(2) 0.030(2) 0.026(2) 0.0042(18) 0.0136(18) -0.0031(18) C01U 0.0152(18) 0.0215(19) 0.024(2) 0.0046(16) 0.0039(15) 0.0049(15) C01V 0.0202(19) 0.0198(19) 0.0215(19) 0.0055(16) 0.0051(15) 0.0022(15) C01W 0.030(2) 0.0177(19) 0.023(2) 0.0066(16) 0.0119(17) 0.0036(16) C01X 0.0200(19) 0.024(2) 0.026(2) 0.0022(17) 0.0071(16) 0.0030(16) C01Y 0.0217(19) 0.0194(19) 0.022(2) 0.0036(16) 0.0064(16) 0.0040(15) C01Z 0.022(2) 0.032(2) 0.030(2) 0.0072(19) 0.0111(17) -0.0027(17) C020 0.037(2) 0.020(2) 0.032(2) 0.0067(17) 0.0222(19) 0.0058(18) C021 0.025(2) 0.026(2) 0.023(2) 0.0093(17) 0.0067(16) 0.0048(17) C022 0.026(2) 0.022(2) 0.021(2) 0.0044(16) 0.0057(16) 0.0012(16) C023 0.0190(18) 0.0161(18) 0.0214(19) 0.0035(15) 0.0058(15) 0.0037(15) C024 0.0182(18) 0.0200(19) 0.0199(19) 0.0050(16) 0.0007(15) -0.0004(15) C025 0.025(2) 0.021(2) 0.029(2) 0.0032(17) 0.0005(17) -0.0009(17) C026 0.0152(18) 0.0208(19) 0.029(2) 0.0085(16) 0.0082(16) 0.0027(15) C027 0.025(2) 0.0171(19) 0.0197(19) 0.0051(15) 0.0065(16) 0.0025(15) C028 0.0209(19) 0.025(2) 0.030(2) 0.0138(17) 0.0086(17) 0.0050(16) C029 0.0190(19) 0.023(2) 0.024(2) 0.0070(16) 0.0050(16) 0.0049(16) C02A 0.026(2) 0.019(2) 0.028(2) 0.0048(17) 0.0041(17) 0.0027(16) C02B 0.025(2) 0.021(2) 0.0187(19) 0.0021(16) 0.0049(16) 0.0021(16) C02C 0.032(2) 0.025(2) 0.050(3) 0.015(2) 0.027(2) 0.0123(18) C02D 0.0198(18) 0.0177(18) 0.0216(19) 0.0054(15) 0.0078(15) 0.0038(15) C02E 0.0154(18) 0.0195(19) 0.026(2) 0.0056(16) 0.0050(15) 0.0044(15) C02F 0.023(2) 0.022(2) 0.029(2) 0.0079(17) 0.0086(17) 0.0062(16) C02G 0.0181(18) 0.0171(18) 0.0188(18) 0.0056(15) 0.0056(15) 0.0037(15) C02H 0.022(2) 0.027(2) 0.030(2) 0.0002(18) -0.0011(17) -0.0044(17) C02I 0.030(2) 0.025(2) 0.030(2) 0.0137(18) 0.0131(18) 0.0035(17) C02J 0.0204(19) 0.020(2) 0.037(2) 0.0072(18) 0.0080(17) 0.0011(16) C02K 0.0186(18) 0.0190(19) 0.0222(19) 0.0051(16) 0.0060(15) 0.0057(15) C02L 0.040(2) 0.024(2) 0.025(2) 0.0031(17) 0.0140(19) 0.0098(19) C02M 0.027(2) 0.024(2) 0.028(2) 0.0073(17) 0.0063(17) 0.0094(17) C02N 0.0183(19) 0.024(2) 0.032(2) 0.0084(17) 0.0070(17) 0.0004(16) C02O 0.029(2) 0.0155(19) 0.034(2) 0.0054(17) 0.0172(18) 0.0039(16) C02P 0.020(2) 0.037(2) 0.027(2) 0.0055(19) 0.0025(17) 0.0009(18) C02Q 0.0192(19) 0.0195(19) 0.026(2) 0.0051(16) 0.0046(16) 0.0030(15) C02R 0.022(2) 0.021(2) 0.027(2) 0.0057(17) 0.0048(17) 0.0031(16) C02S 0.038(2) 0.025(2) 0.027(2) 0.0098(18) 0.0116(19) 0.0011(18) C02T 0.019(2) 0.028(2) 0.052(3) 0.013(2) 0.0138(19) 0.0073(17) C02U 0.025(2) 0.022(2) 0.036(2) 0.0095(18) 0.0127(18) 0.0022(17) C02V 0.035(2) 0.021(2) 0.050(3) 0.007(2) 0.008(2) 0.0014(19) C02W 0.033(2) 0.027(2) 0.028(2) 0.0015(18) -0.0022(19) 0.0019(19) C02X 0.021(2) 0.032(2) 0.026(2) 0.0098(18) -0.0002(17) 0.0061(17) C02Y 0.041(3) 0.031(2) 0.038(3) 0.017(2) 0.021(2) 0.007(2) C02Z 0.022(2) 0.022(2) 0.027(2) 0.0025(17) 0.0092(17) 0.0022(16) C030 0.0151(19) 0.028(2) 0.049(3) 0.010(2) 0.0059(18) 0.0103(17) C031 0.028(2) 0.022(2) 0.028(2) 0.0112(17) 0.0114(17) 0.0078(17) C032 0.025(2) 0.029(2) 0.036(2) 0.0156(19) 0.0065(18) 0.0125(18) C033 0.0180(19) 0.028(2) 0.040(2) 0.0126(19) 0.0045(18) -0.0012(17) C034 0.040(3) 0.036(3) 0.040(3) 0.006(2) 0.009(2) 0.013(2) C035 0.035(2) 0.035(2) 0.040(3) 0.022(2) 0.013(2) 0.015(2) C036 0.029(2) 0.020(2) 0.039(2) 0.0124(18) 0.0099(19) 0.0045(17) C037 0.020(2) 0.023(2) 0.038(2) 0.0071(18) 0.0101(18) 0.0048(16) C038 0.042(3) 0.035(2) 0.035(2) 0.015(2) 0.024(2) 0.011(2) C039 0.027(2) 0.023(2) 0.023(2) 0.0078(17) 0.0046(17) 0.0023(17) C03A 0.028(2) 0.023(2) 0.048(3) 0.010(2) 0.013(2) 0.0066(18) C03B 0.051(3) 0.026(2) 0.024(2) -0.0023(18) 0.002(2) 0.008(2) C03C 0.023(2) 0.046(3) 0.030(2) -0.002(2) -0.0034(18) 0.003(2) C03D 0.030(2) 0.043(3) 0.029(2) 0.010(2) 0.0008(19) 0.015(2) C03E 0.043(3) 0.022(2) 0.033(2) 0.0074(18) 0.017(2) 0.0064(19) C03F 0.022(2) 0.035(2) 0.036(3) -0.003(2) 0.0067(19) -0.0021(18) C03G 0.027(2) 0.029(2) 0.032(2) 0.0144(18) 0.0151(18) 0.0073(17) C03H 0.053(3) 0.021(2) 0.035(2) 0.0114(19) 0.015(2) 0.001(2) C03I 0.031(2) 0.026(2) 0.031(2) 0.0040(18) 0.0138(19) 0.0028(18) C03J 0.026(2) 0.033(2) 0.023(2) 0.0089(18) 0.0051(17) -0.0055(18) C03K 0.023(2) 0.034(2) 0.037(2) 0.014(2) 0.0146(18) 0.0071(18) C03L 0.029(2) 0.032(2) 0.060(3) 0.015(2) 0.018(2) -0.004(2) C03M 0.049(3) 0.022(2) 0.052(3) 0.012(2) 0.008(2) 0.012(2) C03N 0.029(2) 0.025(2) 0.082(4) 0.018(2) 0.023(3) 0.0114(19) C03O 0.060(3) 0.020(2) 0.035(3) 0.0092(19) 0.020(2) 0.008(2) C03P 0.027(2) 0.033(2) 0.030(2) 0.0138(19) 0.0085(18) 0.0072(18) C03Q 0.050(3) 0.041(3) 0.062(4) 0.025(3) 0.030(3) -0.005(2) C03R 0.041(3) 0.024(2) 0.047(3) 0.010(2) -0.004(2) 0.006(2) C03S 0.037(3) 0.049(3) 0.067(4) 0.020(3) 0.012(3) 0.008(2) C03T 0.046(3) 0.027(3) 0.067(4) 0.012(2) 0.008(3) -0.001(2) C03U 0.037(3) 0.036(3) 0.060(3) 0.011(2) 0.020(3) -0.009(2) C03V 0.068(4) 0.036(3) 0.043(3) 0.011(2) 0.018(3) -0.001(3) C03W 0.050(3) 0.026(2) 0.064(4) 0.003(2) 0.037(3) 0.003(2) C03X 0.047(3) 0.024(2) 0.039(3) -0.005(2) 0.021(2) -0.006(2) C03Y 0.063(3) 0.038(3) 0.038(3) 0.015(2) 0.015(3) -0.011(3) N03Z 0.114(5) 0.071(4) 0.052(3) 0.025(3) -0.002(3) -0.051(4) N040 0.060(4) 0.096(5) 0.148(6) 0.077(5) 0.048(4) 0.024(3) C041 0.067(3) 0.037(2) 0.048(2) -0.004(2) 0.008(2) 0.013(2) C042 0.070(3) 0.035(2) 0.051(2) -0.006(2) 0.002(2) 0.014(2) C043 0.048(3) 0.073(4) 0.056(4) 0.008(3) 0.018(3) -0.007(3) C044 0.099(5) 0.066(4) 0.047(4) 0.003(3) 0.002(4) 0.040(4) C046 0.102(6) 0.080(5) 0.067(5) 0.028(4) 0.037(4) 0.053(5) N047 0.165(8) 0.117(7) 0.149(8) 0.071(6) 0.097(7) 0.083(6) C049 0.050(4) 0.048(4) 0.036(4) 0.009(3) 0.004(3) 0.030(4) C04A 0.090(7) 0.035(5) 0.025(4) 0.022(4) 0.016(4) 0.021(5) N04B 0.044(5) 0.104(7) 0.062(6) -0.024(5) -0.006(4) 0.031(5) N1 0.143(8) 0.043(2) 0.080(4) 0.004(3) 0.072(4) -0.011(4) C2 0.143(8) 0.043(2) 0.080(4) 0.004(3) 0.072(4) -0.011(4) C3 0.143(8) 0.043(2) 0.080(4) 0.004(3) 0.072(4) -0.011(4) N2 0.143(8) 0.043(2) 0.080(4) 0.004(3) 0.072(4) -0.011(4) C1 0.143(8) 0.043(2) 0.080(4) 0.004(3) 0.072(4) -0.011(4) C5 0.143(8) 0.043(2) 0.080(4) 0.004(3) 0.072(4) -0.011(4) loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Ir Ir -1.4442 7.9887 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 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 O00A Ir01 O007 87.61(9) . . ? N00C Ir01 O007 104.46(11) . . ? N00C Ir01 O00A 82.39(11) . . ? N00D Ir01 O007 80.37(11) . . ? N00D Ir01 O00A 103.28(11) . . ? N00D Ir01 N00C 172.84(12) . . ? C00K Ir01 O007 89.52(12) . . ? C00K Ir01 O00A 175.13(12) . . ? C00K Ir01 N00C 94.54(13) . . ? C00K Ir01 N00D 80.08(13) . . ? C00N Ir01 O007 175.19(12) . . ? C00N Ir01 O00A 91.11(12) . . ? C00N Ir01 N00C 79.95(13) . . ? C00N Ir01 N00D 95.42(13) . . ? C00N Ir01 C00K 92.07(14) . . ? O005 Ir02 O008 58.94(9) . . ? O005 Ir02 C00T 29.59(10) . . ? O008 Ir02 C00T 29.41(10) . . ? N00E Ir02 O005 86.86(11) . . ? N00E Ir02 O008 104.51(11) . . ? N00E Ir02 C00T 97.82(12) . . ? N00G Ir02 O005 96.88(11) . . ? N00G Ir02 O008 80.12(11) . . ? N00G Ir02 N00E 175.15(12) . . ? N00G Ir02 C00T 86.92(12) . . ? C00L Ir02 O005 107.90(12) . . ? C00L Ir02 O008 165.16(13) . . ? C00L Ir02 N00E 80.11(14) . . ? C00L Ir02 N00G 95.76(14) . . ? C00L Ir02 C00T 136.84(13) . . ? C00L Ir02 C01L 87.27(15) . . ? C01L Ir02 O005 164.80(12) . . ? C01L Ir02 O008 105.89(12) . . ? C01L Ir02 N00E 96.97(14) . . ? C01L Ir02 N00G 80.21(14) . . ? C01L Ir02 C00T 135.28(13) . . ? C03Q S003 C01O 91.7(2) . . ? C00T O005 Ir02 92.3(2) . . ? C01I O007 Ir01 124.8(2) . . ? C00T O008 Ir02 89.2(2) . . ? C026 O00A Ir01 124.5(2) . . ? C00Q N00C Ir01 112.3(2) . . ? C00Q N00C C01N 106.6(3) . . ? C01N N00C Ir01 140.1(2) . . ? C00P N00D Ir01 111.5(2) . . ? C00P N00D C02G 106.5(3) . . ? C02G N00D Ir01 140.4(2) . . ? C00R N00E Ir02 140.1(3) . . ? C014 N00E Ir02 112.2(2) . . ? C014 N00E C00R 106.5(3) . . ? C00Q N00F C00W 125.5(3) . . ? C00Q N00F C00X 107.3(3) . . ? C00X N00F C00W 127.1(3) . . ? C01C N00G Ir02 112.1(2) . . ? C01C N00G C024 107.4(3) . . ? C024 N00G Ir02 137.5(3) . . ? C00P N00H C01B 122.6(3) . . ? C00P N00H C023 107.1(3) . . ? C023 N00H C01B 129.8(3) . . ? C013 N00I C018 127.7(3) . . ? C014 N00I C013 107.5(3) . . ? C014 N00I C018 124.7(3) . . ? C01C N00J C01G 107.4(3) . . ? C01C N00J C02O 123.9(3) . . ? C01G N00J C02O 128.5(3) . . ? C011 C00K Ir01 126.7(3) . . ? C011 C00K C01A 117.0(3) . . ? C01A C00K Ir01 116.3(3) . . ? C00U C00L Ir02 117.1(3) . . ? C02R C00L Ir02 125.2(3) . . ? C02R C00L C00U 117.7(3) . . ? C00N C00M C00Q 111.1(3) . . ? C01U C00M C00N 122.1(3) . . ? C01U C00M C00Q 126.7(3) . . ? C00M C00N Ir01 116.8(3) . . ? C02E C00N Ir01 126.6(3) . . ? C02E C00N C00M 116.5(3) . . ? C00S C00O C00R 123.1(4) . . ? C00S C00O C00Y 119.2(4) . . ? C00Y C00O C00R 117.7(3) . . ? N00D C00P N00H 110.9(3) . . ? N00D C00P C01A 118.6(3) . . ? N00H C00P C01A 130.5(3) . . ? N00C C00Q N00F 110.9(3) . . ? N00C C00Q C00M 118.4(3) . . ? N00F C00Q C00M 130.7(3) . . ? N00E C00R C00O 130.4(3) . . ? C013 C00R N00E 109.0(3) . . ? C013 C00R C00O 120.6(4) . . ? C00O C00S H00S 119.5 . . ? C017 C00S C00O 120.9(4) . . ? C017 C00S H00S 119.5 . . ? O005 C00T Ir02 58.09(18) . . ? O005 C00T C012 119.1(3) . . ? O008 C00T Ir02 61.38(18) . . ? O008 C00T O005 119.3(3) . . ? O008 C00T C012 121.6(3) . . ? C012 C00T Ir02 174.2(3) . . ? C00L C00U C014 111.5(3) . . ? C01J C00U C00L 121.2(4) . . ? C01J C00U C014 127.3(4) . . ? F006 C00V C011 118.5(3) . . ? F006 C00V C01D 117.8(3) . . ? C01D C00V C011 123.7(3) . . ? C01X C00W N00F 118.9(4) . . ? C01X C00W C02M 121.7(4) . . ? C02M C00W N00F 119.4(4) . . ? N00F C00X C01K 130.2(3) . . ? C01N C00X N00F 106.7(3) . . ? C01N C00X C01K 123.0(3) . . ? C00O C00Y C028 120.7(4) . . ? C01S C00Y C00O 117.7(4) . . ? C01S C00Y C028 121.7(4) . . ? F004 C00Z C02B 117.9(3) . . ? F004 C00Z C02E 118.1(3) . . ? C02B C00Z C02E 124.0(3) . . ? C012 C010 H010 119.8 . . ? C016 C010 H010 119.8 . . ? C016 C010 C012 120.3(3) . . ? C00K C011 H011 120.2 . . ? C00V C011 C00K 119.6(3) . . ? C00V C011 H011 120.2 . . ? C010 C012 C00T 121.5(3) . . ? C022 C012 C00T 118.0(3) . . ? C022 C012 C010 120.5(3) . . ? N00I C013 C036 129.7(4) . . ? C00R C013 N00I 106.3(3) . . ? C00R C013 C036 123.7(4) . . ? N00E C014 N00I 110.6(3) . . ? N00E C014 C00U 118.8(3) . . ? N00I C014 C00U 130.4(4) . . ? C01L C015 H015 120.2 . . ? C02I C015 H015 120.2 . . ? C02I C015 C01L 119.5(4) . . ? C010 C016 C01I 120.0(3) . . ? C010 C016 C01Z 118.5(4) . . ? C01Z C016 C01I 121.5(3) . . ? C00S C017 H017 120.2 . . ? C00S C017 C02P 119.7(4) . . ? C02P C017 H017 120.2 . . ? C02V C018 N00I 119.0(4) . . ? C034 C018 N00I 119.4(4) . . ? C034 C018 C02V 121.6(4) . . ? C01A C019 H019 120.2 . . ? C01D C019 H019 120.2 . . ? C01D C019 C01A 119.7(3) . . ? C00K C01A C00P 110.9(3) . . ? C019 C01A C00K 121.7(3) . . ? C019 C01A C00P 127.1(3) . . ? C029 C01B N00H 118.4(3) . . ? C02Z C01B N00H 119.7(3) . . ? C02Z C01B C029 121.7(3) . . ? N00G C01C N00J 109.9(3) . . ? N00G C01C C01V 117.8(3) . . ? N00J C01C C01V 132.3(3) . . ? C00V C01D C019 118.3(4) . . ? C00V C01D H01D 120.9 . . ? C019 C01D H01D 120.9 . . ? C01F C01E H01E 119.8 . . ? C01H C01E H01E 119.8 . . ? C01H C01E C01F 120.4(4) . . ? C01E C01F C021 119.9(3) . . ? C01E C01F C024 122.6(3) . . ? C021 C01F C024 117.3(3) . . ? N00J C01G C01P 131.2(3) . . ? C024 C01G N00J 106.0(3) . . ? C024 C01G C01P 122.7(4) . . ? C01E C01H H01H 120.1 . . ? C01E C01H C038 119.8(4) . . ? C038 C01H H01H 120.1 . . ? O007 C01I C016 116.2(3) . . ? O007 C01I C03J 126.6(4) . . ? C03J C01I C016 117.2(3) . . ? C00U C01J H01J 120.0 . . ? C02H C01J C00U 120.0(4) . . ? C02H C01J H01J 120.0 . . ? C01Q C01K C00X 115.8(3) . . ? C037 C01K C00X 124.1(4) . . ? C037 C01K C01Q 120.1(3) . . ? C015 C01L Ir02 127.1(3) . . ? C015 C01L C01V 117.7(3) . . ? C01V C01L Ir02 115.2(3) . . ? C01Y C01M H01M 119.1 . . ? C032 C01M H01M 119.1 . . ? C032 C01M C01Y 121.7(4) . . ? N00C C01N C027 129.9(3) . . ? C00X C01N N00C 108.5(3) . . ? C00X C01N C027 121.6(3) . . ? C026 C01O S003 121.8(3) . . ? C03L C01O S003 111.2(3) . . ? C03L C01O C026 127.0(4) . . ? C039 C01P C01G 115.8(4) . . ? C03E C01P C01G 124.7(4) . . ? C03E C01P C039 119.4(4) . . ? C01K C01Q C01W 121.3(3) . . ? C020 C01Q C01K 117.0(4) . . ? C020 C01Q C01W 121.7(4) . . ? C02D C01R C01Y 120.6(3) . . ? C031 C01R C01Y 121.9(3) . . ? C031 C01R C02D 117.4(3) . . ? C00Y C01S H01S 119.1 . . ? C02P C01S C00Y 121.8(4) . . ? C02P C01S H01S 119.1 . . ? C01Z C01T H01T 119.8 . . ? C01Z C01T C022 120.4(4) . . ? C022 C01T H01T 119.8 . . ? C00M C01U H01U 120.1 . . ? C02B C01U C00M 119.8(3) . . ? C02B C01U H01U 120.1 . . ? C01L C01V C01C 111.7(3) . . ? C02F C01V C01C 127.1(4) . . ? C02F C01V C01L 121.2(3) . . ? C027 C01W C01Q 120.8(3) . . ? C02L C01W C01Q 122.4(4) . . ? C02L C01W C027 116.8(4) . . ? C00W C01X H01X 120.5 . . ? C00W C01X C03F 119.0(4) . . ? C03F C01X H01X 120.5 . . ? C01M C01Y C01R 121.6(4) . . ? C01M C01Y C02K 117.9(3) . . ? C02K C01Y C01R 120.5(3) . . ? C016 C01Z H01Z 119.6 . . ? C01T C01Z C016 120.8(4) . . ? C01T C01Z H01Z 119.6 . . ? C01Q C020 H020 119.0 . . ? C02C C020 C01Q 122.0(4) . . ? C02C C020 H020 119.0 . . ? C01F C021 C039 119.9(3) . . ? C02Y C021 C01F 117.6(4) . . ? C02Y C021 C039 122.5(4) . . ? C012 C022 H022 120.3 . . ? C01T C022 C012 119.4(4) . . ? C01T C022 H022 120.3 . . ? N00H C023 C02K 130.6(3) . . ? C02G C023 N00H 106.3(3) . . ? C02G C023 C02K 123.1(3) . . ? N00G C024 C01F 128.9(3) . . ? C01G C024 N00G 109.2(3) . . ? C01G C024 C01F 121.7(3) . . ? C029 C025 H025 119.8 . . ? C033 C025 H025 119.8 . . ? C033 C025 C029 120.5(4) . . ? O00A C026 C01O 116.0(3) . . ? O00A C026 C03J 127.5(3) . . ? C03J C026 C01O 116.5(4) . . ? C01W C027 C01N 116.8(3) . . ? C02A C027 C01N 123.4(3) . . ? C02A C027 C01W 119.8(4) . . ? C036 C028 C00Y 120.4(4) . . ? C03P C028 C00Y 121.8(4) . . ? C03P C028 C036 117.8(4) . . ? C01B C029 C025 118.7(4) . . ? C01B C029 H029 120.7 . . ? C025 C029 H029 120.7 . . ? C027 C02A H02A 119.4 . . ? C02W C02A C027 121.2(4) . . ? C02W C02A H02A 119.4 . . ? C00Z C02B C01U 117.6(3) . . ? C00Z C02B H02B 121.2 . . ? C01U C02B H02B 121.2 . . ? C020 C02C H02C 119.9 . . ? C020 C02C C02T 120.2(4) . . ? C02T C02C H02C 119.9 . . ? C01R C02D C02G 117.3(3) . . ? C02Q C02D C01R 119.8(3) . . ? C02Q C02D C02G 122.8(3) . . ? C00N C02E H02E 120.1 . . ? C00Z C02E C00N 119.8(3) . . ? C00Z C02E H02E 120.1 . . ? C01V C02F H02F 120.0 . . ? C03G C02F C01V 120.1(4) . . ? C03G C02F H02F 120.0 . . ? N00D C02G C02D 129.4(3) . . ? C023 C02G N00D 109.1(3) . . ? C023 C02G C02D 121.4(3) . . ? C01J C02H H02H 121.0 . . ? C01J C02H C02X 118.0(4) . . ? C02X C02H H02H 121.0 . . ? F009 C02I C015 118.0(4) . . ? F009 C02I C03G 118.2(3) . . ? C03G C02I C015 123.8(4) . . ? C02K C02J H02J 119.4 . . ? C030 C02J H02J 119.4 . . ? C030 C02J C02K 121.2(4) . . ? C01Y C02K C023 116.3(3) . . ? C02J C02K C01Y 119.1(3) . . ? C02J C02K C023 124.5(4) . . ? C01W C02L H02L 119.0 . . ? C03B C02L C01W 122.0(4) . . ? C03B C02L H02L 119.0 . . ? C00W C02M H02M 120.6 . . ? C03D C02M C00W 118.7(4) . . ? C03D C02M H02M 120.6 . . ? C02Q C02N H02N 120.0 . . ? C02Q C02N C02U 120.1(4) . . ? C02U C02N H02N 120.0 . . ? C03A C02O N00J 120.9(4) . . ? C03A C02O C03I 120.7(4) . . ? C03I C02O N00J 118.3(4) . . ? C017 C02P H02P 119.8 . . ? C01S C02P C017 120.5(4) . . ? C01S C02P H02P 119.8 . . ? C02D C02Q H02Q 119.7 . . ? C02N C02Q C02D 120.5(4) . . ? C02N C02Q H02Q 119.7 . . ? C00L C02R H02R 120.5 . . ? C02X C02R C00L 119.1(4) . . ? C02X C02R H02R 120.5 . . ? C039 C02S H02S 119.0 . . ? C03H C02S H02S 119.0 . . ? C03H C02S C039 122.1(4) . . ? C02C C02T H02T 119.7 . . ? C037 C02T C02C 120.6(4) . . ? C037 C02T H02T 119.7 . . ? C02N C02U H02U 119.9 . . ? C031 C02U C02N 120.1(4) . . ? C031 C02U H02U 119.9 . . ? C018 C02V H02V 120.7 . . ? C018 C02V C03T 118.6(5) . . ? C03T C02V H02V 120.7 . . ? C02A C02W H02W 120.1 . . ? C02A C02W C03B 119.8(4) . . ? C03B C02W H02W 120.1 . . ? F00B C02X C02H 117.8(4) . . ? C02R C02X F00B 118.1(4) . . ? C02R C02X C02H 124.1(4) . . ? C021 C02Y H02Y 119.5 . . ? C038 C02Y C021 120.9(4) . . ? C038 C02Y H02Y 119.5 . . ? C01B C02Z H02Z 120.7 . . ? C01B C02Z C03K 118.5(4) . . ? C03K C02Z H02Z 120.7 . . ? C02J C030 H030 120.2 . . ? C02J C030 C032 119.6(4) . . ? C032 C030 H030 120.2 . . ? C01R C031 H031 119.1 . . ? C02U C031 C01R 121.9(4) . . ? C02U C031 H031 119.1 . . ? C01M C032 C030 120.4(4) . . ? C01M C032 H032 119.8 . . ? C030 C032 H032 119.8 . . ? C025 C033 H033 120.2 . . ? C03K C033 C025 119.6(4) . . ? C03K C033 H033 120.2 . . ? C018 C034 H034 120.4 . . ? C018 C034 C041 119.2(5) . . ? C041 C034 H034 120.4 . . ? C03M C035 H035 119.9 . . ? C03P C035 H035 119.9 . . ? C03P C035 C03M 120.2(4) . . ? C028 C036 C013 116.4(4) . . ? C03R C036 C013 124.7(4) . . ? C03R C036 C028 118.9(4) . . ? C01K C037 H037 119.9 . . ? C02T C037 C01K 120.2(4) . . ? C02T C037 H037 119.9 . . ? C01H C038 H038 119.4 . . ? C02Y C038 C01H 121.3(4) . . ? C02Y C038 H038 119.4 . . ? C01P C039 C021 121.6(4) . . ? C02S C039 C01P 117.3(4) . . ? C02S C039 C021 121.1(4) . . ? C02O C03A H03A 120.7 . . ? C02O C03A C03N 118.7(5) . . ? C03N C03A H03A 120.7 . . ? C02L C03B C02W 120.0(4) . . ? C02L C03B H03B 120.0 . . ? C02W C03B H03B 120.0 . . ? C03D C03C H03C 119.4 . . ? C03F C03C H03C 119.4 . . ? C03F C03C C03D 121.1(4) . . ? C02M C03D H03D 120.1 . . ? C03C C03D C02M 119.8(4) . . ? C03C C03D H03D 120.1 . . ? C01P C03E H03E 119.7 . . ? C03O C03E C01P 120.7(4) . . ? C03O C03E H03E 119.7 . . ? C01X C03F H03F 120.2 . . ? C03C C03F C01X 119.7(4) . . ? C03C C03F H03F 120.2 . . ? C02F C03G H03G 121.2 . . ? C02I C03G C02F 117.7(4) . . ? C02I C03G H03G 121.2 . . ? C02S C03H H03H 120.0 . . ? C02S C03H C03O 120.0(4) . . ? C03O C03H H03H 120.0 . . ? C02O C03I H03I 120.1 . . ? C03X C03I C02O 119.9(4) . . ? C03X C03I H03I 120.1 . . ? C01I C03J H03J 116.0 . . ? C026 C03J C01I 128.1(4) . . ? C026 C03J H03J 116.0 . . ? C02Z C03K H03K 119.5 . . ? C033 C03K C02Z 120.9(4) . . ? C033 C03K H03K 119.5 . . ? C01O C03L H03L 124.4 . . ? C01O C03L C03U 111.1(5) . . ? C03U C03L H03L 124.4 . . ? C035 C03M H03M 120.1 . . ? C03R C03M C035 119.9(4) . . ? C03R C03M H03M 120.1 . . ? C03A C03N H03N 119.9 . . ? C03W C03N C03A 120.2(4) . . ? C03W C03N H03N 119.9 . . ? C03E C03O C03H 120.5(4) . . ? C03E C03O H03O 119.8 . . ? C03H C03O H03O 119.8 . . ? C028 C03P H03P 119.0 . . ? C035 C03P C028 122.0(4) . . ? C035 C03P H03P 119.0 . . ? S003 C03Q H03Q 123.5 . . ? C03U C03Q S003 113.0(4) . . ? C03U C03Q H03Q 123.5 . . ? C036 C03R H03R 119.4 . . ? C03M C03R C036 121.1(4) . . ? C03M C03R H03R 119.4 . . ? N040 C03S C043 178.7(7) . . ? C02V C03T H03T 120.2 . . ? C042 C03T C02V 119.6(5) . . ? C042 C03T H03T 120.2 . . ? C03L C03U H03U 123.5 . . ? C03Q C03U C03L 112.9(4) . . ? C03Q C03U H03U 123.5 . . ? H03S C03V H03V 109.5 . . ? H03S C03V H03Y 109.5 . . ? H03V C03V H03Y 109.5 . . ? C03Y C03V H03S 109.5 . . ? C03Y C03V H03V 109.5 . . ? C03Y C03V H03Y 109.5 . . ? C03N C03W H03W 119.5 . . ? C03X C03W C03N 121.1(4) . . ? C03X C03W H03W 119.5 . . ? C03I C03X H03X 120.3 . . ? C03W C03X C03I 119.4(5) . . ? C03W C03X H03X 120.3 . . ? N03Z C03Y C03V 178.9(8) . . ? C034 C041 H041 120.0 . . ? C042 C041 C034 119.9(6) . . ? C042 C041 H041 120.0 . . ? C03T C042 H042 119.4 . . ? C041 C042 C03T 121.2(5) . . ? C041 C042 H042 119.4 . . ? C03S C043 H04A 109.5 . . ? C03S C043 H04B 109.5 . . ? C03S C043 H04C 109.5 . . ? H04A C043 H04B 109.5 . . ? H04A C043 H04C 109.5 . . ? H04B C043 H04C 109.5 . . ? H04D C044 H04E 109.5 . . ? H04D C044 H04F 109.5 . . ? H04E C044 H04F 109.5 . . ? C046 C044 H04D 109.5 . . ? C046 C044 H04E 109.5 . . ? C046 C044 H04F 109.5 . . ? N047 C046 C044 178.3(9) . . ? N04B C049 C04A 175.5(14) . . ? C049 C04A H04G 109.5 . . ? C049 C04A H04H 109.5 . . ? C049 C04A H04I 109.5 . . ? H04G C04A H04H 109.5 . . ? H04G C04A H04I 109.5 . . ? H04H C04A H04I 109.5 . . ? N1 C2 C3 171(2) . . ? C2 C3 H3A 109.5 . . ? C2 C3 H3B 109.5 . . ? C2 C3 H3C 109.5 . . ? H3A C3 H3B 109.5 . . ? H3A C3 H3C 109.5 . . ? H3B C3 H3C 109.5 . . ? N2 C1 C5 177.2(19) . . ? C1 C5 H5A 109.5 . . ? C1 C5 H5B 109.5 . . ? C1 C5 H5C 109.5 . . ? H5A C5 H5B 109.5 . . ? H5A C5 H5C 109.5 . . ? H5B C5 H5C 109.5 . . ? 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 Ir01 O007 2.167(3) . ? Ir01 O00A 2.162(2) . ? Ir01 N00C 2.078(3) . ? Ir01 N00D 2.078(3) . ? Ir01 C00K 1.987(4) . ? Ir01 C00N 1.986(4) . ? Ir02 O005 2.194(2) . ? Ir02 O008 2.267(3) . ? Ir02 N00E 2.091(3) . ? Ir02 N00G 2.057(3) . ? Ir02 C00L 1.980(4) . ? Ir02 C00T 2.583(4) . ? Ir02 C01L 1.999(4) . ? S003 C01O 1.715(4) . ? S003 C03Q 1.698(5) . ? F004 C00Z 1.369(4) . ? O005 C00T 1.276(4) . ? F006 C00V 1.364(4) . ? O007 C01I 1.271(4) . ? O008 C00T 1.268(4) . ? F009 C02I 1.370(4) . ? O00A C026 1.265(5) . ? F00B C02X 1.371(5) . ? N00C C00Q 1.340(5) . ? N00C C01N 1.392(5) . ? N00D C00P 1.343(5) . ? N00D C02G 1.384(5) . ? N00E C00R 1.393(5) . ? N00E C014 1.346(5) . ? N00F C00Q 1.359(5) . ? N00F C00W 1.443(5) . ? N00F C00X 1.391(5) . ? N00G C01C 1.340(5) . ? N00G C024 1.380(5) . ? N00H C00P 1.359(5) . ? N00H C01B 1.447(4) . ? N00H C023 1.400(5) . ? N00I C013 1.395(5) . ? N00I C014 1.362(5) . ? N00I C018 1.447(5) . ? N00J C01C 1.371(5) . ? N00J C01G 1.402(5) . ? N00J C02O 1.435(5) . ? C00K C011 1.401(5) . ? C00K C01A 1.421(5) . ? C00L C00U 1.420(5) . ? C00L C02R 1.398(5) . ? C00M C00N 1.418(5) . ? C00M C00Q 1.456(5) . ? C00M C01U 1.400(5) . ? C00N C02E 1.402(5) . ? C00O C00R 1.435(5) . ? C00O C00S 1.413(5) . ? C00O C00Y 1.424(5) . ? C00P C01A 1.456(5) . ? C00R C013 1.381(6) . ? C00S H00S 0.9500 . ? C00S C017 1.373(6) . ? C00T C012 1.484(5) . ? C00U C014 1.446(5) . ? C00U C01J 1.403(5) . ? C00V C011 1.377(5) . ? C00V C01D 1.376(5) . ? C00W C01X 1.380(6) . ? C00W C02M 1.388(6) . ? C00X C01K 1.444(5) . ? C00X C01N 1.382(5) . ? C00Y C01S 1.407(6) . ? C00Y C028 1.468(6) . ? C00Z C02B 1.373(5) . ? C00Z C02E 1.379(5) . ? C010 H010 0.9500 . ? C010 C012 1.392(5) . ? C010 C016 1.388(5) . ? C011 H011 0.9500 . ? C012 C022 1.388(5) . ? C013 C036 1.437(6) . ? C015 H015 0.9500 . ? C015 C01L 1.385(5) . ? C015 C02I 1.376(5) . ? C016 C01I 1.504(5) . ? C016 C01Z 1.404(6) . ? C017 H017 0.9500 . ? C017 C02P 1.395(6) . ? C018 C02V 1.381(6) . ? C018 C034 1.376(6) . ? C019 H019 0.9500 . ? C019 C01A 1.400(5) . ? C019 C01D 1.381(5) . ? C01B C029 1.384(5) . ? C01B C02Z 1.378(5) . ? C01C C01V 1.449(5) . ? C01D H01D 0.9500 . ? C01E H01E 0.9500 . ? C01E C01F 1.409(5) . ? C01E C01H 1.366(6) . ? C01F C021 1.421(5) . ? C01F C024 1.433(5) . ? C01G C01P 1.443(5) . ? C01G C024 1.378(5) . ? C01H H01H 0.9500 . ? C01H C038 1.387(6) . ? C01I C03J 1.396(5) . ? C01J H01J 0.9500 . ? C01J C02H 1.376(6) . ? C01K C01Q 1.422(5) . ? C01K C037 1.412(5) . ? C01L C01V 1.421(5) . ? C01M H01M 0.9500 . ? C01M C01Y 1.403(5) . ? C01M C032 1.369(6) . ? C01N C027 1.436(5) . ? C01O C026 1.489(5) . ? C01O C03L 1.373(6) . ? C01P C039 1.419(6) . ? C01P C03E 1.414(6) . ? C01Q C01W 1.457(6) . ? C01Q C020 1.409(5) . ? C01R C01Y 1.470(5) . ? C01R C02D 1.418(5) . ? C01R C031 1.410(5) . ? C01S H01S 0.9500 . ? C01S C02P 1.366(6) . ? C01T H01T 0.9500 . ? C01T C01Z 1.377(6) . ? C01T C022 1.384(5) . ? C01U H01U 0.9500 . ? C01U C02B 1.388(5) . ? C01V C02F 1.395(5) . ? C01W C027 1.423(5) . ? C01W C02L 1.415(6) . ? C01X H01X 0.9500 . ? C01X C03F 1.389(6) . ? C01Y C02K 1.422(5) . ? C01Z H01Z 0.9500 . ? C020 H020 0.9500 . ? C020 C02C 1.371(6) . ? C021 C02Y 1.407(6) . ? C021 C039 1.466(6) . ? C022 H022 0.9500 . ? C023 C02G 1.378(5) . ? C023 C02K 1.441(5) . ? C025 H025 0.9500 . ? C025 C029 1.391(5) . ? C025 C033 1.384(6) . ? C026 C03J 1.392(5) . ? C027 C02A 1.402(5) . ? C028 C036 1.421(6) . ? C028 C03P 1.406(6) . ? C029 H029 0.9500 . ? C02A H02A 0.9500 . ? C02A C02W 1.368(6) . ? C02B H02B 0.9500 . ? C02C H02C 0.9500 . ? C02C C02T 1.383(6) . ? C02D C02G 1.433(5) . ? C02D C02Q 1.411(5) . ? C02E H02E 0.9500 . ? C02F H02F 0.9500 . ? C02F C03G 1.385(5) . ? C02H H02H 0.9500 . ? C02H C02X 1.380(6) . ? C02I C03G 1.376(6) . ? C02J H02J 0.9500 . ? C02J C02K 1.408(5) . ? C02J C030 1.371(6) . ? C02L H02L 0.9500 . ? C02L C03B 1.372(6) . ? C02M H02M 0.9500 . ? C02M C03D 1.388(6) . ? C02N H02N 0.9500 . ? C02N C02Q 1.375(5) . ? C02N C02U 1.394(6) . ? C02O C03A 1.377(6) . ? C02O C03I 1.393(6) . ? C02P H02P 0.9500 . ? C02Q H02Q 0.9500 . ? C02R H02R 0.9500 . ? C02R C02X 1.371(6) . ? C02S H02S 0.9500 . ? C02S C039 1.415(6) . ? C02S C03H 1.367(6) . ? C02T H02T 0.9500 . ? C02T C037 1.372(6) . ? C02U H02U 0.9500 . ? C02U C031 1.373(6) . ? C02V H02V 0.9500 . ? C02V C03T 1.398(7) . ? C02W H02W 0.9500 . ? C02W C03B 1.395(6) . ? C02Y H02Y 0.9500 . ? C02Y C038 1.367(6) . ? C02Z H02Z 0.9500 . ? C02Z C03K 1.391(6) . ? C030 H030 0.9500 . ? C030 C032 1.396(6) . ? C031 H031 0.9500 . ? C032 H032 0.9500 . ? C033 H033 0.9500 . ? C033 C03K 1.377(6) . ? C034 H034 0.9500 . ? C034 C041 1.385(7) . ? C035 H035 0.9500 . ? C035 C03M 1.381(7) . ? C035 C03P 1.371(6) . ? C036 C03R 1.410(6) . ? C037 H037 0.9500 . ? C038 H038 0.9500 . ? C03A H03A 0.9500 . ? C03A C03N 1.400(6) . ? C03B H03B 0.9500 . ? C03C H03C 0.9500 . ? C03C C03D 1.383(7) . ? C03C C03F 1.378(7) . ? C03D H03D 0.9500 . ? C03E H03E 0.9500 . ? C03E C03O 1.372(6) . ? C03F H03F 0.9500 . ? C03G H03G 0.9500 . ? C03H H03H 0.9500 . ? C03H C03O 1.384(6) . ? C03I H03I 0.9500 . ? C03I C03X 1.388(6) . ? C03J H03J 0.9500 . ? C03K H03K 0.9500 . ? C03L H03L 0.9500 . ? C03L C03U 1.439(6) . ? C03M H03M 0.9500 . ? C03M C03R 1.380(6) . ? C03N H03N 0.9500 . ? C03N C03W 1.377(8) . ? C03O H03O 0.9500 . ? C03P H03P 0.9500 . ? C03Q H03Q 0.9500 . ? C03Q C03U 1.319(7) . ? C03R H03R 0.9500 . ? C03S N040 1.134(7) . ? C03S C043 1.435(8) . ? C03T H03T 0.9500 . ? C03T C042 1.375(8) . ? C03U H03U 0.9500 . ? C03V H03S 0.9800 . ? C03V H03V 0.9800 . ? C03V H03Y 0.9800 . ? C03V C03Y 1.422(7) . ? C03W H03W 0.9500 . ? C03W C03X 1.369(7) . ? C03X H03X 0.9500 . ? C03Y N03Z 1.131(7) . ? C041 H041 0.9500 . ? C041 C042 1.368(9) . ? C042 H042 0.9500 . ? C043 H04A 0.9800 . ? C043 H04B 0.9800 . ? C043 H04C 0.9800 . ? C044 H04D 0.9800 . ? C044 H04E 0.9800 . ? C044 H04F 0.9800 . ? C044 C046 1.448(11) . ? C046 N047 1.154(11) . ? C049 C04A 1.369(14) . ? C049 N04B 1.057(13) . ? C04A H04G 0.9800 . ? C04A H04H 0.9800 . ? C04A H04I 0.9800 . ? N1 C2 1.170(10) . ? C2 C3 1.42(2) . ? C3 H3A 0.9800 . ? C3 H3B 0.9800 . ? C3 H3C 0.9800 . ? N2 C1 1.199(9) . ? C1 C5 1.49(2) . ? C5 H5A 0.9800 . ? C5 H5B 0.9800 . ? C5 H5C 0.9800 . ? 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 Ir01 O007 C01I C016 175.3(2) . . . . ? Ir01 O007 C01I C03J -4.0(5) . . . . ? Ir01 O00A C026 C01O -176.1(2) . . . . ? Ir01 O00A C026 C03J 4.4(6) . . . . ? Ir01 N00C C00Q N00F 168.7(2) . . . . ? Ir01 N00C C00Q C00M -12.5(4) . . . . ? Ir01 N00C C01N C00X -164.0(3) . . . . ? Ir01 N00C C01N C027 18.0(6) . . . . ? Ir01 N00D C00P N00H 166.4(2) . . . . ? Ir01 N00D C00P C01A -16.1(4) . . . . ? Ir01 N00D C02G C023 -161.1(3) . . . . ? Ir01 N00D C02G C02D 21.7(6) . . . . ? Ir01 C00K C011 C00V 176.7(3) . . . . ? Ir01 C00K C01A C00P 6.2(4) . . . . ? Ir01 C00K C01A C019 -178.1(3) . . . . ? Ir01 C00N C02E C00Z 179.6(3) . . . . ? Ir02 O005 C00T O008 -5.0(3) . . . . ? Ir02 O005 C00T C012 174.1(3) . . . . ? Ir02 O008 C00T O005 4.9(3) . . . . ? Ir02 O008 C00T C012 -174.2(3) . . . . ? Ir02 N00E C00R C00O -16.7(7) . . . . ? Ir02 N00E C00R C013 163.9(3) . . . . ? Ir02 N00E C014 N00I -169.2(2) . . . . ? Ir02 N00E C014 C00U 6.0(4) . . . . ? Ir02 N00G C01C N00J -161.9(2) . . . . ? Ir02 N00G C01C C01V 18.7(4) . . . . ? Ir02 N00G C024 C01F -30.6(6) . . . . ? Ir02 N00G C024 C01G 154.5(3) . . . . ? Ir02 C00L C00U C014 1.7(4) . . . . ? Ir02 C00L C00U C01J 178.8(3) . . . . ? Ir02 C00L C02R C02X -177.3(3) . . . . ? Ir02 C01L C01V C01C -2.9(4) . . . . ? Ir02 C01L C01V C02F 179.2(3) . . . . ? S003 C01O C026 O00A 164.9(3) . . . . ? S003 C01O C026 C03J -15.6(5) . . . . ? S003 C01O C03L C03U -1.5(5) . . . . ? S003 C03Q C03U C03L -1.9(6) . . . . ? F004 C00Z C02B C01U -179.0(3) . . . . ? F004 C00Z C02E C00N 178.2(3) . . . . ? O005 C00T C012 C010 157.4(3) . . . . ? O005 C00T C012 C022 -22.4(5) . . . . ? F006 C00V C011 C00K -179.1(3) . . . . ? F006 C00V C01D C019 -179.8(3) . . . . ? O007 C01I C03J C026 -5.1(7) . . . . ? O008 C00T C012 C010 -23.5(5) . . . . ? O008 C00T C012 C022 156.7(4) . . . . ? F009 C02I C03G C02F -179.7(4) . . . . ? O00A C026 C03J C01I 4.9(7) . . . . ? N00C C01N C027 C01W -172.8(4) . . . . ? N00C C01N C027 C02A 9.9(6) . . . . ? N00D C00P C01A C00K 7.1(5) . . . . ? N00D C00P C01A C019 -168.3(4) . . . . ? N00E C00R C013 N00I 1.9(4) . . . . ? N00E C00R C013 C036 -173.9(4) . . . . ? N00F C00W C01X C03F 177.6(3) . . . . ? N00F C00W C02M C03D -177.2(4) . . . . ? N00F C00X C01K C01Q 177.5(4) . . . . ? N00F C00X C01K C037 -0.7(6) . . . . ? N00F C00X C01N N00C -2.6(4) . . . . ? N00F C00X C01N C027 175.6(3) . . . . ? N00G C01C C01V C01L -10.8(5) . . . . ? N00G C01C C01V C02F 166.9(4) . . . . ? N00H C00P C01A C00K -176.0(4) . . . . ? N00H C00P C01A C019 8.6(7) . . . . ? N00H C01B C029 C025 -173.0(3) . . . . ? N00H C01B C02Z C03K 174.4(3) . . . . ? N00H C023 C02G N00D -1.7(4) . . . . ? N00H C023 C02G C02D 175.8(3) . . . . ? N00H C023 C02K C01Y 174.4(4) . . . . ? N00H C023 C02K C02J -3.1(7) . . . . ? N00I C013 C036 C028 -176.1(4) . . . . ? N00I C013 C036 C03R 1.4(7) . . . . ? N00I C018 C02V C03T -179.0(4) . . . . ? N00I C018 C034 C041 -179.7(4) . . . . ? N00J C01C C01V C01L 170.0(4) . . . . ? N00J C01C C01V C02F -12.2(7) . . . . ? N00J C01G C01P C039 -179.7(4) . . . . ? N00J C01G C01P C03E -2.8(7) . . . . ? N00J C01G C024 N00G 3.1(4) . . . . ? N00J C01G C024 C01F -172.3(3) . . . . ? N00J C02O C03A C03N 179.6(4) . . . . ? N00J C02O C03I C03X 179.1(4) . . . . ? C00L C00U C014 N00E -5.2(5) . . . . ? C00L C00U C014 N00I 168.9(4) . . . . ? C00L C00U C01J C02H -1.0(6) . . . . ? C00L C02R C02X F00B 179.6(4) . . . . ? C00L C02R C02X C02H -1.5(7) . . . . ? C00M C00N C02E C00Z 1.8(5) . . . . ? C00M C01U C02B C00Z -0.3(6) . . . . ? C00N C00M C00Q N00C 6.8(5) . . . . ? C00N C00M C00Q N00F -174.8(4) . . . . ? C00N C00M C01U C02B 1.4(6) . . . . ? C00O C00R C013 N00I -177.5(3) . . . . ? C00O C00R C013 C036 6.7(6) . . . . ? C00O C00S C017 C02P 3.4(6) . . . . ? C00O C00Y C01S C02P 2.1(6) . . . . ? C00O C00Y C028 C036 6.0(6) . . . . ? C00O C00Y C028 C03P -171.6(4) . . . . ? C00P N00D C02G C023 2.5(4) . . . . ? C00P N00D C02G C02D -174.8(4) . . . . ? C00P N00H C01B C029 71.6(5) . . . . ? C00P N00H C01B C02Z -103.5(4) . . . . ? C00P N00H C023 C02G 0.2(4) . . . . ? C00P N00H C023 C02K -177.2(4) . . . . ? C00Q N00C C01N C00X 3.1(4) . . . . ? C00Q N00C C01N C027 -174.9(4) . . . . ? C00Q N00F C00W C01X 82.3(5) . . . . ? C00Q N00F C00W C02M -98.8(4) . . . . ? C00Q N00F C00X C01K -173.8(4) . . . . ? C00Q N00F C00X C01N 1.2(4) . . . . ? C00Q C00M C00N Ir01 2.8(4) . . . . ? C00Q C00M C00N C02E -179.1(3) . . . . ? C00Q C00M C01U C02B 177.9(4) . . . . ? C00R N00E C014 N00I 0.9(4) . . . . ? C00R N00E C014 C00U 176.1(3) . . . . ? C00R C00O C00S C017 177.0(4) . . . . ? C00R C00O C00Y C01S -179.7(3) . . . . ? C00R C00O C00Y C028 -0.8(5) . . . . ? C00R C013 C036 C028 -1.4(6) . . . . ? C00R C013 C036 C03R 176.1(4) . . . . ? C00S C00O C00R N00E -5.4(6) . . . . ? C00S C00O C00R C013 173.9(4) . . . . ? C00S C00O C00Y C01S 0.9(5) . . . . ? C00S C00O C00Y C028 179.9(3) . . . . ? C00S C017 C02P C01S -0.3(6) . . . . ? C00T C012 C022 C01T 178.0(4) . . . . ? C00U C00L C02R C02X -0.5(6) . . . . ? C00U C01J C02H C02X -0.9(6) . . . . ? C00W N00F C00Q N00C -176.1(3) . . . . ? C00W N00F C00Q C00M 5.4(6) . . . . ? C00W N00F C00X C01K 2.9(6) . . . . ? C00W N00F C00X C01N 177.9(3) . . . . ? C00W C01X C03F C03C -0.1(6) . . . . ? C00W C02M C03D C03C -0.7(6) . . . . ? C00X N00F C00Q N00C 0.7(4) . . . . ? C00X N00F C00Q C00M -177.8(4) . . . . ? C00X N00F C00W C01X -93.8(5) . . . . ? C00X N00F C00W C02M 85.0(5) . . . . ? C00X C01K C01Q C01W 1.5(5) . . . . ? C00X C01K C01Q C020 -179.3(3) . . . . ? C00X C01K C037 C02T 177.8(4) . . . . ? C00X C01N C027 C01W 9.4(5) . . . . ? C00X C01N C027 C02A -167.9(4) . . . . ? C00Y C00O C00R N00E 175.4(4) . . . . ? C00Y C00O C00R C013 -5.3(5) . . . . ? C00Y C00O C00S C017 -3.7(6) . . . . ? C00Y C01S C02P C017 -2.5(6) . . . . ? C00Y C028 C036 C013 -4.8(6) . . . . ? C00Y C028 C036 C03R 177.5(4) . . . . ? C00Y C028 C03P C035 -179.8(4) . . . . ? C010 C012 C022 C01T -1.8(6) . . . . ? C010 C016 C01I O007 -24.8(5) . . . . ? C010 C016 C01I C03J 154.5(4) . . . . ? C010 C016 C01Z C01T -2.1(6) . . . . ? C011 C00K C01A C00P -175.9(3) . . . . ? C011 C00K C01A C019 -0.2(5) . . . . ? C011 C00V C01D C019 0.1(6) . . . . ? C012 C010 C016 C01I -177.3(3) . . . . ? C012 C010 C016 C01Z 1.8(6) . . . . ? C013 N00I C014 N00E 0.2(4) . . . . ? C013 N00I C014 C00U -174.2(4) . . . . ? C013 N00I C018 C02V -97.2(5) . . . . ? C013 N00I C018 C034 83.2(6) . . . . ? C013 C036 C03R C03M -174.1(5) . . . . ? C014 N00E C00R C00O 177.6(4) . . . . ? C014 N00E C00R C013 -1.8(4) . . . . ? C014 N00I C013 C00R -1.3(4) . . . . ? C014 N00I C013 C036 174.1(4) . . . . ? C014 N00I C018 C02V 85.2(5) . . . . ? C014 N00I C018 C034 -94.4(5) . . . . ? C014 C00U C01J C02H 175.5(4) . . . . ? C015 C01L C01V C01C 179.2(3) . . . . ? C015 C01L C01V C02F 1.3(6) . . . . ? C015 C02I C03G C02F 1.5(7) . . . . ? C016 C010 C012 C00T -179.7(3) . . . . ? C016 C010 C012 C022 0.1(6) . . . . ? C016 C01I C03J C026 175.7(4) . . . . ? C018 N00I C013 C00R -179.2(4) . . . . ? C018 N00I C013 C036 -3.8(7) . . . . ? C018 N00I C014 N00E 178.2(4) . . . . ? C018 N00I C014 C00U 3.8(7) . . . . ? C018 C02V C03T C042 -1.4(7) . . . . ? C018 C034 C041 C042 -1.3(8) . . . . ? C01A C00K C011 C00V -0.9(5) . . . . ? C01A C019 C01D C00V -1.2(6) . . . . ? C01B N00H C00P N00D -171.1(3) . . . . ? C01B N00H C00P C01A 11.8(6) . . . . ? C01B N00H C023 C02G 172.0(4) . . . . ? C01B N00H C023 C02K -5.4(7) . . . . ? C01B C02Z C03K C033 -1.4(6) . . . . ? C01C N00G C024 C01F 171.8(4) . . . . ? C01C N00G C024 C01G -3.1(4) . . . . ? C01C N00J C01G C01P 174.8(4) . . . . ? C01C N00J C01G C024 -1.9(4) . . . . ? C01C N00J C02O C03A 111.1(5) . . . . ? C01C N00J C02O C03I -67.7(5) . . . . ? C01C C01V C02F C03G -178.4(4) . . . . ? C01D C00V C011 C00K 0.9(6) . . . . ? C01D C019 C01A C00K 1.3(6) . . . . ? C01D C019 C01A C00P 176.3(4) . . . . ? C01E C01F C021 C02Y 4.0(6) . . . . ? C01E C01F C021 C039 -173.8(4) . . . . ? C01E C01F C024 N00G -8.2(6) . . . . ? C01E C01F C024 C01G 166.2(4) . . . . ? C01E C01H C038 C02Y 1.8(7) . . . . ? C01F C01E C01H C038 1.0(6) . . . . ? C01F C021 C02Y C038 -1.2(6) . . . . ? C01F C021 C039 C01P 4.7(6) . . . . ? C01F C021 C039 C02S -176.2(4) . . . . ? C01G N00J C01C N00G 0.0(4) . . . . ? C01G N00J C01C C01V 179.2(4) . . . . ? C01G N00J C02O C03A -75.1(5) . . . . ? C01G N00J C02O C03I 106.1(5) . . . . ? C01G C01P C039 C021 -4.1(6) . . . . ? C01G C01P C039 C02S 176.7(4) . . . . ? C01G C01P C03E C03O -177.4(4) . . . . ? C01H C01E C01F C021 -4.0(6) . . . . ? C01H C01E C01F C024 -179.7(4) . . . . ? C01I C016 C01Z C01T 176.9(4) . . . . ? C01J C00U C014 N00E 178.0(4) . . . . ? C01J C00U C014 N00I -8.0(7) . . . . ? C01J C02H C02X F00B -178.9(4) . . . . ? C01J C02H C02X C02R 2.2(7) . . . . ? C01K C00X C01N N00C 172.9(3) . . . . ? C01K C00X C01N C027 -8.9(6) . . . . ? C01K C01Q C01W C027 -0.5(6) . . . . ? C01K C01Q C01W C02L 179.1(4) . . . . ? C01K C01Q C020 C02C 2.0(6) . . . . ? C01L C015 C02I F009 -179.8(4) . . . . ? C01L C015 C02I C03G -1.1(7) . . . . ? C01L C01V C02F C03G -0.8(6) . . . . ? C01M C01Y C02K C023 -174.1(3) . . . . ? C01M C01Y C02K C02J 3.5(6) . . . . ? C01N N00C C00Q N00F -2.3(4) . . . . ? C01N N00C C00Q C00M 176.4(3) . . . . ? C01N C00X C01K C01Q 3.2(5) . . . . ? C01N C00X C01K C037 -175.1(4) . . . . ? C01N C027 C02A C02W -177.3(4) . . . . ? C01O S003 C03Q C03U 0.9(5) . . . . ? C01O C026 C03J C01I -174.6(4) . . . . ? C01O C03L C03U C03Q 2.2(6) . . . . ? C01P C01G C024 N00G -174.0(3) . . . . ? C01P C01G C024 C01F 10.6(6) . . . . ? C01P C03E C03O C03H 0.7(7) . . . . ? C01Q C01K C037 C02T -0.4(6) . . . . ? C01Q C01W C027 C01N -4.8(5) . . . . ? C01Q C01W C027 C02A 172.7(4) . . . . ? C01Q C01W C02L C03B -176.2(4) . . . . ? C01Q C020 C02C C02T -1.5(6) . . . . ? C01R C01Y C02K C023 7.7(5) . . . . ? C01R C01Y C02K C02J -174.7(4) . . . . ? C01R C02D C02G N00D -172.8(4) . . . . ? C01R C02D C02G C023 10.2(5) . . . . ? C01R C02D C02Q C02N 3.3(6) . . . . ? C01S C00Y C028 C036 -175.1(4) . . . . ? C01S C00Y C028 C03P 7.3(6) . . . . ? C01U C00M C00N Ir01 179.8(3) . . . . ? C01U C00M C00N C02E -2.1(5) . . . . ? C01U C00M C00Q N00C -170.0(4) . . . . ? C01U C00M C00Q N00F 8.4(6) . . . . ? C01V C02F C03G C02I -0.5(6) . . . . ? C01W C01Q C020 C02C -178.8(4) . . . . ? C01W C027 C02A C02W 5.4(6) . . . . ? C01W C02L C03B C02W 1.8(7) . . . . ? C01X C00W C02M C03D 1.7(6) . . . . ? C01Y C01M C032 C030 -0.3(7) . . . . ? C01Y C01R C02D C02G -5.1(5) . . . . ? C01Y C01R C02D C02Q 172.5(3) . . . . ? C01Y C01R C031 C02U -174.1(4) . . . . ? C01Z C016 C01I O007 156.1(4) . . . . ? C01Z C016 C01I C03J -24.5(6) . . . . ? C01Z C01T C022 C012 1.4(6) . . . . ? C020 C01Q C01W C027 -179.6(4) . . . . ? C020 C01Q C01W C02L 0.0(6) . . . . ? C020 C02C C02T C037 0.0(6) . . . . ? C021 C01F C024 N00G 175.9(4) . . . . ? C021 C01F C024 C01G -9.7(5) . . . . ? C021 C02Y C038 C01H -1.7(7) . . . . ? C022 C01T C01Z C016 0.5(7) . . . . ? C023 N00H C00P N00D 1.4(4) . . . . ? C023 N00H C00P C01A -175.7(4) . . . . ? C023 N00H C01B C029 -99.1(5) . . . . ? C023 N00H C01B C02Z 85.8(5) . . . . ? C024 N00G C01C N00J 1.9(4) . . . . ? C024 N00G C01C C01V -177.4(3) . . . . ? C024 C01F C021 C02Y 179.9(4) . . . . ? C024 C01F C021 C039 2.1(5) . . . . ? C024 C01G C01P C039 -3.4(6) . . . . ? C024 C01G C01P C03E 173.4(4) . . . . ? C025 C033 C03K C02Z 1.7(6) . . . . ? C026 C01O C03L C03U 179.0(4) . . . . ? C027 C01W C02L C03B 3.5(6) . . . . ? C027 C02A C02W C03B 0.1(7) . . . . ? C028 C00Y C01S C02P -176.8(4) . . . . ? C028 C036 C03R C03M 3.3(7) . . . . ? C029 C01B C02Z C03K -0.5(6) . . . . ? C029 C025 C033 C03K -0.1(6) . . . . ? C02A C02W C03B C02L -3.7(7) . . . . ? C02B C00Z C02E C00N -0.8(6) . . . . ? C02C C02T C037 C01K 1.0(6) . . . . ? C02D C01R C01Y C01M 178.0(4) . . . . ? C02D C01R C01Y C02K -3.9(6) . . . . ? C02D C01R C031 C02U 3.1(6) . . . . ? C02E C00Z C02B C01U 0.0(6) . . . . ? C02G N00D C00P N00H -2.4(4) . . . . ? C02G N00D C00P C01A 175.1(3) . . . . ? C02G C023 C02K C01Y -2.7(5) . . . . ? C02G C023 C02K C02J 179.8(4) . . . . ? C02G C02D C02Q C02N -179.3(4) . . . . ? C02I C015 C01L Ir02 -178.0(3) . . . . ? C02I C015 C01L C01V -0.3(6) . . . . ? C02J C030 C032 C01M 1.9(7) . . . . ? C02K C023 C02G N00D 176.0(3) . . . . ? C02K C023 C02G C02D -6.5(6) . . . . ? C02K C02J C030 C032 -0.8(7) . . . . ? C02L C01W C027 C01N 175.6(3) . . . . ? C02L C01W C027 C02A -7.0(5) . . . . ? C02M C00W C01X C03F -1.2(6) . . . . ? C02N C02U C031 C01R 0.1(6) . . . . ? C02O N00J C01C N00G 174.9(3) . . . . ? C02O N00J C01C C01V -5.9(7) . . . . ? C02O N00J C01G C01P 0.3(7) . . . . ? C02O N00J C01G C024 -176.5(4) . . . . ? C02O C03A C03N C03W 2.2(7) . . . . ? C02O C03I C03X C03W 0.4(6) . . . . ? C02Q C02D C02G N00D 9.7(6) . . . . ? C02Q C02D C02G C023 -167.3(4) . . . . ? C02Q C02N C02U C031 -1.6(6) . . . . ? C02R C00L C00U C014 -175.3(3) . . . . ? C02R C00L C00U C01J 1.8(6) . . . . ? C02S C03H C03O C03E 0.2(7) . . . . ? C02U C02N C02Q C02D -0.1(6) . . . . ? C02V C018 C034 C041 0.7(7) . . . . ? C02V C03T C042 C041 0.8(9) . . . . ? C02Y C021 C039 C01P -173.0(4) . . . . ? C02Y C021 C039 C02S 6.2(6) . . . . ? C02Z C01B C029 C025 2.0(6) . . . . ? C030 C02J C02K C01Y -2.0(6) . . . . ? C030 C02J C02K C023 175.5(4) . . . . ? C031 C01R C01Y C01M -4.9(6) . . . . ? C031 C01R C01Y C02K 173.1(4) . . . . ? C031 C01R C02D C02G 177.8(3) . . . . ? C031 C01R C02D C02Q -4.7(5) . . . . ? C032 C01M C01Y C01R 175.7(4) . . . . ? C032 C01M C01Y C02K -2.4(6) . . . . ? C033 C025 C029 C01B -1.7(6) . . . . ? C034 C018 C02V C03T 0.6(7) . . . . ? C034 C041 C042 C03T 0.5(9) . . . . ? C035 C03M C03R C036 0.5(8) . . . . ? C036 C028 C03P C035 2.6(6) . . . . ? C037 C01K C01Q C01W 179.8(4) . . . . ? C037 C01K C01Q C020 -1.0(5) . . . . ? C039 C01P C03E C03O -0.6(7) . . . . ? C039 C021 C02Y C038 176.5(4) . . . . ? C039 C02S C03H C03O -1.2(7) . . . . ? C03A C02O C03I C03X 0.3(6) . . . . ? C03A C03N C03W C03X -1.5(7) . . . . ? C03D C03C C03F C01X 1.1(7) . . . . ? C03E C01P C039 C021 178.9(4) . . . . ? C03E C01P C039 C02S -0.3(6) . . . . ? C03F C03C C03D C02M -0.6(7) . . . . ? C03H C02S C039 C01P 1.3(6) . . . . ? C03H C02S C039 C021 -177.9(4) . . . . ? C03I C02O C03A C03N -1.6(6) . . . . ? C03L C01O C026 O00A -15.6(6) . . . . ? C03L C01O C026 C03J 163.9(4) . . . . ? C03M C035 C03P C028 1.3(7) . . . . ? C03N C03W C03X C03I 0.2(7) . . . . ? C03P C028 C036 C013 172.9(4) . . . . ? C03P C028 C036 C03R -4.8(6) . . . . ? C03P C035 C03M C03R -2.9(7) . . . . ? C03Q S003 C01O C026 180.0(4) . . . . ? C03Q S003 C01O C03L 0.4(4) . . . . ?