#------------------------------------------------------------------------------ #$Date: 2024-12-06 19:46:11 +0200 (Fri, 06 Dec 2024) $ #$Revision: 296485 $ #$URL: file:///home/coder/svn-repositories/cod/cif/7/24/93/7249342.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_7249342 loop_ _publ_author_name 'Li, Ying-Yu' 'Qiu, Qi-Ming' 'Fan, Si-Jie' 'Xu, Jian-Jie' 'Mou, Wen-Long' 'Hou, Chuan-Bing' 'Liu, Min' 'Yang, Yu-Ping' 'Dai, Li-Xiong' 'Han, Hong-Liang' 'Jin, Qiong-Hua' _publ_section_title ; A series of rare-earth phosphine-oxygen complexes containing [PW12O40]3− with highly efficient photocatalytic degradation of MB ; _journal_issue 40 _journal_name_full CrystEngComm _journal_page_first 5809 _journal_page_last 5819 _journal_paper_doi 10.1039/D4CE00851K _journal_volume 26 _journal_year 2024 _chemical_formula_sum 'C42 H100 Nd O60 P7 W12' _chemical_formula_weight 4132.44 _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 mixed _audit_creation_method SHELXL-2019/2 _audit_update_record ; 2023-03-10 deposited with the CCDC. 2024-09-12 downloaded from the CCDC. ; _cell_angle_alpha 79.3280(10) _cell_angle_beta 83.149(2) _cell_angle_gamma 89.207(3) _cell_formula_units_Z 2 _cell_length_a 15.6938(15) _cell_length_b 16.0627(14) _cell_length_c 20.983(2) _cell_measurement_reflns_used 5488 _cell_measurement_temperature 293(2) _cell_measurement_theta_max 27.943 _cell_measurement_theta_min 2.407 _cell_volume 5160.7(8) _computing_structure_refinement 'SHELXL-2019/2 (Sheldrick, 2019)' _diffrn_ambient_temperature 293(2) _diffrn_measured_fraction_theta_full 0.977 _diffrn_measured_fraction_theta_max 0.977 _diffrn_measurement_device_type 'CCD area detector' _diffrn_measurement_method 'phi and omega scans' _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0939 _diffrn_reflns_av_unetI/netI 0.1244 _diffrn_reflns_Laue_measured_fraction_full 0.977 _diffrn_reflns_Laue_measured_fraction_max 0.977 _diffrn_reflns_limit_h_max 17 _diffrn_reflns_limit_h_min -18 _diffrn_reflns_limit_k_max 19 _diffrn_reflns_limit_k_min -19 _diffrn_reflns_limit_l_max 24 _diffrn_reflns_limit_l_min -13 _diffrn_reflns_number 25737 _diffrn_reflns_point_group_measured_fraction_full 0.977 _diffrn_reflns_point_group_measured_fraction_max 0.977 _diffrn_reflns_theta_full 25.020 _diffrn_reflns_theta_max 25.020 _diffrn_reflns_theta_min 1.899 _exptl_absorpt_coefficient_mu 14.000 _exptl_absorpt_correction_T_max 0.3081 _exptl_absorpt_correction_T_min 0.1217 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details sadabs _exptl_crystal_density_diffrn 2.659 _exptl_crystal_F_000 3770 _exptl_crystal_size_max 0.260 _exptl_crystal_size_mid 0.170 _exptl_crystal_size_min 0.110 _refine_diff_density_max 3.377 _refine_diff_density_min -4.831 _refine_diff_density_rms 0.454 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 0.853 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 1029 _refine_ls_number_reflns 17806 _refine_ls_number_restraints 4510 _refine_ls_restrained_S_all 0.777 _refine_ls_R_factor_all 0.1417 _refine_ls_R_factor_gt 0.0830 _refine_ls_shift/su_max 0.000 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0002P)^2^+986.4260P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.1705 _refine_ls_wR_factor_ref 0.1950 _reflns_Friedel_coverage 0.000 _reflns_number_gt 9838 _reflns_number_total 17806 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file d4ce00851k21.cif _cod_data_source_block 221122e_sq _cod_depositor_comments 'Adding full bibliography for 7249339--7249349.cif.' _cod_original_cell_volume 5160.8(8) _cod_database_code 7249342 _shelx_shelxl_version_number 2019/2 _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_min 0.122 _shelx_estimated_absorpt_t_max 0.308 _shelx_res_file ; TITL 221122e in P-1 221122e_sq.res created by SHELXL-2019/2 at 11:52:37 on 01-Mar-2023 CELL 0.71073 15.6938 16.0627 20.9832 79.328 83.149 89.207 ZERR 2.00 0.0015 0.0014 0.0021 0.001 0.002 0.003 LATT 1 SFAC C H O P Nd W UNIT 84 200 120 14 2 24 OMIT -1.00 50.04 L.S. 16 0 140 Omit -2 -1 1 omit 3 18 2 omit 2 0 3 omit 2 1 0 omit 2 0 2 omit -2 4 4 omit 2 -7 2 omit 0 3 2 omit -1 3 1 omit -3 5 5 omit 7 17 7 omit 5 -2 2 omit 3 2 1 omit -7 12 7 omit -3 3 3 omit -4 10 7 omit -1 -1 2 omit 1 -8 2 omit 1 2 0 omit -7 13 7 omit 0 5 3 omit -4 6 6 omit -2 3 3 omit -1 1 4 omit 2 19 4 omit -2 4 9 omit -2 0 4 omit -2 5 4 omit -1 4 2 omit -6 12 7 omit 5 1 0 omit 4 3 4 omit 5 -2 1 omit 1 1 3 omit -4 1 6 omit -3 8 6 omit 0 1 3 omit 0 2 4 omit 2 -1 7 omit -2 7 5 omit 4 18 3 omit -4 2 3 omit 2 2 0 omit 11 2 4 omit 7 -1 3 omit -6 -3 2 omit 3 18 4 omit -2 18 0 omit -3 9 6 omit -6 3 12 ACTA BOND $h FMAP 2 PLAN 20 CONF SIZE 0.26 0.17 0.11 dfix 3.25 0.02 c16 c24 dfix 2.16 0.01 h13c h35c h33b h35b h16a h24b h22b h24b DFIX 2.43 0.02 o54 c33 o55 c35 o55 c36 o57 c38 o57 c39 o58 c41 o58 c42 DFIX 2.43 0.02 o51 c24 o51 c25 o52 c27 o52 c28 o54 c32 DFIX 2.43 0.02 o46 c14 o48 c18 o48 c19 o49 c21 o49 c22 DFIX 2.43 0.02 o42 c4 o42 c5 o43 c7 o43 c8 o45 c10 o45 c11 o46 c13 DFIX 2.54 0.02 c24 c25 c27 c28 c32 c33 c35 c36 c38 c39 c41 c42 DFIX 2.54 0.02 c4 c5 c7 c8 c10 c11 c13 c14 c18 c19 c21 c22 DFIX 1.53 0.01 c31 c33 c34 c35 c34 c36 c37 c38 c37 c39 c40 c41 c40 c42 DFIX 1.53 0.01 c23 c24 c23 c25 c26 c27 c26 c28 c29 c30 c31 c32 DFIX 1.53 0.01 c12 c14 c15 c16 c17 c18 c17 c19 c20 c21 c20 c22 DFIX 1.53 0.01 c1 c2 c3 c4 c3 c5 c6 c7 c6 c8 c9 c10 c9 c11 c12 c13 DFIX 1.58 0.01 p1 o1 p1 o2 p1 o3 p1 o4 SADI 0.02 o1 o2 o1 o3 o1 o4 o2 o3 o2 o4 o3 o4 DFIX 1.58 0.01 p1 o1' p1 o2' p1 o3' p1 o4' SADI 0.02 o1' o2' o1' o3' o1' o4' o2' o3' o2' o4' o3' o4' SIMU 0.02 0.04 3.8 ISOR 0.01 o30 o40 c5 c8 c13 c14 c28 c23 c25 c32 c42 ISOR 0.005 p1 o37 o38 o39 c27 c41 HTAB BIND O7 W4 FREE O23 C12 ABIN WGHT 0.000160 986.426025 FVAR 0.04223 0.43746 W1 6 0.114749 0.410950 0.329910 11.00000 0.03755 0.03030 = 0.03386 -0.01451 -0.00405 -0.00352 W2 6 0.237767 0.262482 0.427882 11.00000 0.04731 0.04719 = 0.02202 -0.01212 -0.00505 -0.01387 W3 6 0.301379 0.071939 0.376805 11.00000 0.03515 0.04437 = 0.02502 -0.00428 -0.00343 0.00764 W4 6 0.233312 0.022775 0.232260 11.00000 0.03016 0.03464 = 0.03551 -0.01551 -0.00084 0.00343 W5 6 0.110841 0.169545 0.135661 11.00000 0.04060 0.03646 = 0.01795 -0.01027 0.00022 -0.00751 W6 6 0.048628 0.362594 0.186071 11.00000 0.03527 0.03483 = 0.02285 -0.00223 0.00194 0.00532 W7 6 0.265038 0.410124 0.191650 11.00000 0.03219 0.03405 = 0.03477 -0.00077 0.00327 -0.01781 W8 6 0.391036 0.264596 0.290414 11.00000 0.02131 0.05500 = 0.04289 -0.01413 0.00082 -0.01503 W9 6 0.327633 0.215039 0.144971 11.00000 0.02303 0.05272 = 0.02369 -0.00905 0.00863 -0.00515 W10 6 0.018616 0.218219 0.418527 11.00000 0.02734 0.04382 = 0.01900 -0.00944 0.00779 -0.00530 W11 6 0.081512 0.025214 0.371414 11.00000 0.02935 0.02914 = 0.02659 -0.00141 0.00259 -0.00881 W12 6 -0.043000 0.167692 0.274132 11.00000 0.01758 0.03760 = 0.03273 -0.01304 0.00548 -0.00838 ND1 5 0.679646 0.714381 0.268928 11.00000 0.02153 0.02911 = 0.02035 -0.00835 0.00175 -0.00274 PART 1 O1 3 0.146156 0.260593 0.341908 21.00000 0.03653 0.04473 = 0.03569 -0.00613 0.00272 -0.00980 O2 3 0.193595 0.120431 0.306929 21.00000 0.03665 0.04574 = 0.03537 -0.00606 0.00301 -0.00589 O3 3 0.099771 0.223738 0.236623 21.00000 0.03550 0.04280 = 0.03410 -0.00638 0.00467 -0.00794 O4 3 0.257775 0.261895 0.241147 21.00000 0.03631 0.04614 = 0.03808 -0.00720 0.00463 -0.00754 PART 2 O1' 3 0.091476 0.170529 0.321738 -21.00000 0.03492 0.04450 = 0.03409 -0.00640 0.00526 -0.00512 O2' 3 0.201595 0.173437 0.220714 -21.00000 0.03449 0.04466 = 0.03494 -0.00429 0.00472 -0.00912 O3' 3 0.249958 0.207525 0.325754 -21.00000 0.03656 0.04543 = 0.03590 -0.00681 0.00205 -0.00919 O4' 3 0.155840 0.312989 0.257339 -21.00000 0.03627 0.04255 = 0.03366 -0.00678 0.00284 -0.00789 PART 0 O5 3 0.197971 0.366384 0.388430 11.00000 0.04431 0.04580 = 0.04516 -0.00242 0.00191 -0.00961 O6 3 0.268997 0.147430 0.434419 11.00000 0.04533 0.04966 = 0.04188 -0.00382 0.01186 -0.00866 O7 3 0.302088 0.028789 0.300950 11.00000 0.03403 0.05274 = 0.03911 -0.00880 0.00440 -0.00844 O8 3 0.153844 0.066121 0.170919 11.00000 0.04023 0.04817 = 0.04487 -0.00167 0.00164 -0.00721 O9 3 0.082163 0.282701 0.132226 11.00000 0.04399 0.04326 = 0.03971 -0.00399 0.01702 -0.00823 O10 3 0.045196 0.409561 0.260421 11.00000 0.03764 0.04931 = 0.03657 -0.00748 0.00506 -0.01137 O11 3 0.208680 0.449941 0.263282 11.00000 0.04399 0.05094 = 0.04084 -0.01201 0.00241 -0.00665 O12 3 0.347245 0.292775 0.368117 11.00000 0.04730 0.04959 = 0.04678 -0.00871 0.00894 -0.01081 O13 3 0.389266 0.154778 0.333227 11.00000 0.04463 0.05161 = 0.04598 -0.00868 0.01066 -0.01212 O14 3 0.316917 0.103614 0.177986 11.00000 0.03758 0.05180 = 0.04559 -0.00184 0.00187 -0.01057 O15 3 0.226239 0.209219 0.107702 11.00000 0.04353 0.05150 = 0.04426 0.00220 -0.00293 -0.00686 O16 3 0.160910 0.412424 0.158806 11.00000 0.04080 0.05224 = 0.03990 -0.00843 0.00465 -0.00975 O17 3 0.349391 0.364476 0.247000 11.00000 0.04385 0.04945 = 0.04384 -0.01371 0.00466 -0.00422 O18 3 0.397317 0.228131 0.212141 11.00000 0.03943 0.05397 = 0.04557 -0.00471 0.00185 -0.00567 O19 3 0.303538 0.332637 0.139251 11.00000 0.04243 0.04853 = 0.04326 -0.00520 0.00024 -0.00486 O20 3 0.030037 0.328277 0.380364 11.00000 0.04050 0.04837 = 0.04506 -0.00140 -0.00143 -0.01084 O21 3 0.124273 0.224431 0.451080 11.00000 0.04126 0.05006 = 0.04280 0.00207 -0.00557 -0.01002 O22 3 0.186816 0.030307 0.401918 11.00000 0.03893 0.05476 = 0.03697 -0.01115 0.00167 -0.00498 O23 3 0.140472 -0.011461 0.295847 11.00000 0.03806 0.05316 = 0.03669 -0.01174 0.00359 -0.00445 O24 3 0.011049 0.139339 0.199713 11.00000 0.05023 0.04611 = 0.04019 -0.00586 0.01195 -0.00471 O25 3 -0.034725 0.280039 0.233770 11.00000 0.04540 0.04406 = 0.03925 -0.00595 0.01689 -0.00805 O26 3 0.044204 0.098023 0.425224 11.00000 0.04090 0.04785 = 0.03945 -0.00630 -0.00249 -0.00268 O27 3 -0.009452 0.064441 0.319340 11.00000 0.04316 0.04693 = 0.03644 -0.01092 0.00324 -0.00234 O28 3 -0.055937 0.203774 0.353246 11.00000 0.03897 0.04507 = 0.03866 -0.00407 -0.00141 -0.00727 O29 3 0.083888 0.499912 0.353492 11.00000 0.04622 0.04310 = 0.07511 -0.03535 0.00767 0.01357 O30 3 0.264273 0.287055 0.496752 11.00000 0.06101 0.03426 = 0.03446 -0.01683 -0.00341 -0.01010 O31 3 0.354564 0.002439 0.422590 11.00000 0.04040 0.07305 = 0.04288 -0.00839 0.01013 0.00127 O32 3 0.267154 -0.064216 0.208922 11.00000 0.02625 0.05295 = 0.06536 -0.03075 -0.00477 0.01370 O33 3 0.080702 0.148994 0.066483 11.00000 0.05907 0.03456 = 0.02453 -0.01430 0.00830 -0.00782 O34 3 -0.012871 0.425257 0.141456 11.00000 0.05085 0.05024 = 0.03530 -0.02234 0.00957 -0.00732 O35 3 0.305064 0.501082 0.149121 11.00000 0.07481 0.03017 = 0.06443 -0.00531 0.00292 -0.02066 O36 3 0.495751 0.286329 0.294116 11.00000 0.04347 0.07533 = 0.06383 -0.01575 -0.00463 -0.01433 O37 3 0.400064 0.220371 0.080709 11.00000 0.03042 0.05209 = 0.03017 -0.00174 0.01732 0.00724 O38 3 -0.053927 0.221812 0.483161 11.00000 0.04057 0.05154 = 0.02476 -0.00991 0.01763 0.00596 O39 3 0.045518 -0.066241 0.413602 11.00000 0.05784 0.03611 = 0.05313 -0.01324 -0.00669 -0.00283 O40 3 -0.143750 0.145469 0.269387 11.00000 0.05196 0.05503 = 0.05109 -0.00861 -0.00587 -0.00684 O41 3 0.699363 0.822453 0.171785 11.00000 0.04410 0.04494 = 0.03786 -0.01086 0.00254 -0.00413 O42 3 0.835084 0.893591 0.107130 11.00000 0.05844 0.05499 = 0.05290 -0.00770 0.00393 -0.00893 O43 3 0.688221 0.911940 0.068962 11.00000 0.04993 0.04860 = 0.04120 -0.00965 0.00561 -0.00079 O44 3 0.701086 0.627270 0.185363 11.00000 0.04369 0.04006 = 0.03404 -0.01421 -0.00006 0.00160 O45 3 0.780615 0.566769 0.099047 11.00000 0.05052 0.04705 = 0.03623 -0.01234 0.00311 -0.00118 O46 3 0.619139 0.569716 0.105696 11.00000 0.05329 0.05355 = 0.04073 -0.01332 -0.00806 -0.00371 O47 3 0.833114 0.718944 0.239052 11.00000 0.03988 0.04489 = 0.04695 -0.01302 0.00073 -0.00095 O48 3 0.955937 0.702018 0.159293 11.00000 0.04329 0.05329 = 0.04970 -0.01058 0.01043 -0.00617 O49 3 0.977666 0.683827 0.277772 11.00000 0.04684 0.05393 = 0.05927 -0.02019 -0.00257 -0.00398 O50 3 0.718433 0.582058 0.327169 11.00000 0.03821 0.03621 = 0.03678 -0.01300 0.00123 0.00099 O51 3 0.765984 0.456533 0.411533 11.00000 0.05164 0.04879 = 0.04746 -0.00876 -0.00221 0.00057 O52 3 0.726171 0.435876 0.306173 11.00000 0.04258 0.04427 = 0.04353 -0.01353 -0.00594 0.00028 O53 3 0.541316 0.710946 0.233135 11.00000 0.03670 0.04526 = 0.03906 -0.01482 0.00189 -0.00759 O54 3 0.470044 0.724814 0.133946 11.00000 0.04348 0.05058 = 0.04249 -0.01549 -0.00505 -0.00766 O55 3 0.381273 0.724576 0.241353 11.00000 0.03641 0.04905 = 0.04820 -0.01482 0.00707 -0.01335 O56 3 0.614831 0.842988 0.294236 11.00000 0.03477 0.04336 = 0.03436 -0.01303 0.00062 -0.00094 O57 3 0.529614 0.953720 0.342182 11.00000 0.03565 0.05036 = 0.03733 -0.02269 0.00404 0.00109 O58 3 0.606653 0.986174 0.229573 11.00000 0.04215 0.04082 = 0.04381 -0.01088 0.00220 -0.00249 O59 3 0.743699 0.751246 0.364569 11.00000 0.04858 0.05815 = 0.03163 -0.02244 -0.00326 0.00198 AFIX 3 H59A 2 0.718538 0.729886 0.402259 11.00000 -1.20000 H59B 2 0.795077 0.734946 0.355809 11.00000 -1.20000 AFIX 0 O60 3 0.572512 0.668600 0.370568 11.00000 0.05237 0.05642 = 0.03405 -0.01013 0.00921 -0.00217 AFIX 3 H60A 2 0.527453 0.649441 0.358638 11.00000 -1.50000 H60C 2 0.559473 0.711501 0.388298 11.00000 -1.50000 AFIX 0 P1 4 0.174469 0.216634 0.281616 11.00000 0.01289 0.01852 = 0.01398 -0.00877 0.00076 -0.00712 P2 4 0.746914 0.850522 0.107313 11.00000 0.04381 0.04072 = 0.03343 -0.00644 0.00590 -0.00636 P4 4 0.913339 0.672960 0.231337 11.00000 0.03096 0.03996 = 0.04057 -0.01419 0.00455 -0.00594 P5 4 0.768422 0.500657 0.338307 11.00000 0.03644 0.03756 = 0.03779 -0.01116 -0.00249 -0.00034 P6 4 0.469472 0.749685 0.201142 11.00000 0.02596 0.03669 = 0.03376 -0.01425 -0.00093 -0.00901 P3 4 0.699558 0.616078 0.117365 11.00000 0.03641 0.03891 = 0.02678 -0.01626 0.00102 -0.00137 P7 4 0.559677 0.916861 0.280949 11.00000 0.03026 0.03630 = 0.02993 -0.01676 -0.00003 -0.00198 AFIX 9 C1 1 0.776067 0.770151 0.064915 11.00000 0.04619 0.04498 = 0.03420 -0.01299 0.00612 -0.00292 AFIX 23 H1A 2 0.799312 0.794188 0.020480 11.00000 -1.20000 H1B 2 0.820208 0.735954 0.085484 11.00000 -1.20000 AFIX 5 C2 1 0.697841 0.714526 0.064156 11.00000 0.04963 0.04564 = 0.03684 -0.01262 0.00023 -0.00338 AFIX 23 H2A 2 0.695793 0.704899 0.020070 11.00000 -1.20000 H2B 2 0.646141 0.744391 0.076522 11.00000 -1.20000 AFIX 5 C3 1 0.844860 0.971465 0.138027 11.00000 0.06395 0.06715 = 0.06214 -0.00922 0.00785 -0.00792 AFIX 13 H3 2 0.797928 1.011561 0.130278 11.00000 -1.20000 AFIX 5 C4 1 0.931824 1.010115 0.106084 11.00000 0.09874 0.10870 = 0.10966 -0.01877 0.01606 -0.01639 AFIX 33 H4A 2 0.928737 1.031651 0.060589 11.00000 -1.50000 H4B 2 0.945990 1.055490 0.127084 11.00000 -1.50000 H4C 2 0.975223 0.967416 0.110569 11.00000 -1.50000 AFIX 5 C5 1 0.845809 0.936056 0.210612 11.00000 0.08218 0.07966 = 0.08356 -0.01224 0.00038 -0.00582 AFIX 33 H5A 2 0.851843 0.981780 0.233468 11.00000 -1.50000 H5B 2 0.793041 0.906102 0.227621 11.00000 -1.50000 H5C 2 0.893141 0.898007 0.216418 11.00000 -1.50000 AFIX 5 C6 1 0.700142 0.944028 -0.001724 11.00000 0.06075 0.05789 = 0.04397 -0.00818 0.00109 -0.00086 AFIX 13 H6 2 0.723406 0.898551 -0.023857 11.00000 -1.20000 AFIX 5 C7 1 0.765107 1.017216 -0.015957 11.00000 0.08698 0.07590 = 0.05722 0.00217 -0.00018 0.00713 AFIX 33 H7A 2 0.773608 1.038925 -0.062082 11.00000 -1.50000 H7B 2 0.743769 1.061409 0.006663 11.00000 -1.50000 H7C 2 0.818703 0.997235 -0.001382 11.00000 -1.50000 AFIX 5 C8 1 0.612822 0.969328 -0.023949 11.00000 0.08695 0.08287 = 0.06561 -0.01930 -0.00502 0.00531 AFIX 33 H8A 2 0.619635 0.990472 -0.070167 11.00000 -1.50000 H8B 2 0.575283 0.920792 -0.014160 11.00000 -1.50000 H8C 2 0.588601 1.012638 -0.001504 11.00000 -1.50000 AFIX 5 C9 1 0.803985 0.543628 0.032599 11.00000 0.05838 0.05544 = 0.04184 -0.01338 0.00387 0.00220 AFIX 13 H9 2 0.765527 0.570938 0.001602 11.00000 -1.20000 AFIX 5 C10 1 0.896862 0.573618 0.010586 11.00000 0.09992 0.09464 = 0.06130 -0.00907 0.01271 0.01362 AFIX 33 H10A 2 0.915059 0.560367 -0.031690 11.00000 -1.50000 H10B 2 0.900408 0.633742 0.008271 11.00000 -1.50000 H10C 2 0.933327 0.545540 0.041382 11.00000 -1.50000 AFIX 5 C11 1 0.795192 0.447067 0.043801 11.00000 0.09677 0.08364 = 0.07366 -0.01807 0.00202 -0.00103 AFIX 33 H11A 2 0.809282 0.428084 0.003078 11.00000 -1.50000 H11B 2 0.833558 0.421798 0.074142 11.00000 -1.50000 H11C 2 0.737221 0.430761 0.061208 11.00000 -1.50000 AFIX 5 C12 1 0.590521 0.486619 0.143312 11.00000 0.05786 0.04903 = 0.04908 -0.01487 -0.00679 -0.00397 AFIX 13 H12 2 0.640898 0.453591 0.155698 11.00000 -1.20000 AFIX 5 C13 1 0.533795 0.499064 0.205330 11.00000 0.06137 0.06707 = 0.06329 -0.00900 0.00016 -0.00864 AFIX 137 H13A 2 0.506521 0.553280 0.197709 11.00000 -1.50000 H13B 2 0.568471 0.496535 0.240352 11.00000 -1.50000 H13C 2 0.490802 0.455185 0.216840 11.00000 -1.50000 AFIX 5 C14 1 0.542699 0.439988 0.100955 11.00000 0.08600 0.08676 = 0.08427 -0.02384 -0.00937 -0.01312 AFIX 33 H14A 2 0.523887 0.385528 0.125496 11.00000 -1.50000 H14B 2 0.493829 0.472464 0.087892 11.00000 -1.50000 H14C 2 0.580340 0.432679 0.062870 11.00000 -1.50000 AFIX 5 C15 1 0.900335 0.560310 0.239215 11.00000 0.04332 0.04657 = 0.04584 -0.01510 0.00150 0.00078 AFIX 23 H15A 2 0.854843 0.549480 0.214246 11.00000 -1.20000 H15B 2 0.952906 0.537348 0.220367 11.00000 -1.20000 AFIX 5 C16 1 0.879023 0.513828 0.309529 11.00000 0.04210 0.04555 = 0.04684 -0.01112 0.00027 0.00145 AFIX 3 H16A 2 0.904060 0.547296 0.336703 11.00000 -1.20000 H16B 2 0.906649 0.458981 0.315371 11.00000 -1.20000 AFIX 5 C17 1 1.047538 0.717001 0.137599 11.00000 0.04767 0.06182 = 0.05818 -0.01604 0.00920 -0.00180 AFIX 13 H17 2 1.074400 0.737286 0.171769 11.00000 -1.20000 AFIX 5 C18 1 1.088597 0.633464 0.126261 11.00000 0.06717 0.07134 = 0.09488 -0.02289 0.01903 0.00206 AFIX 33 H18A 2 1.148742 0.642416 0.112001 11.00000 -1.50000 H18B 2 1.081138 0.592686 0.166239 11.00000 -1.50000 H18C 2 1.061733 0.612754 0.093414 11.00000 -1.50000 AFIX 5 C19 1 1.056306 0.785451 0.075830 11.00000 0.10092 0.09133 = 0.10500 -0.00475 0.02279 -0.00562 AFIX 33 H19A 2 1.115995 0.796306 0.060722 11.00000 -1.50000 H19B 2 1.028820 0.766456 0.042539 11.00000 -1.50000 H19C 2 1.029604 0.836533 0.085478 11.00000 -1.50000 AFIX 5 C20 1 0.976122 0.745130 0.318751 11.00000 0.04737 0.05234 = 0.05953 -0.02327 0.00262 -0.00548 AFIX 13 H20 2 0.921754 0.775616 0.316168 11.00000 -1.20000 AFIX 5 C21 1 1.048923 0.809422 0.293945 11.00000 0.08858 0.06570 = 0.08960 -0.02978 0.00497 -0.00291 AFIX 33 H21A 2 1.047359 0.850557 0.321923 11.00000 -1.50000 H21B 2 1.102972 0.780699 0.294034 11.00000 -1.50000 H21C 2 1.042181 0.837408 0.250292 11.00000 -1.50000 AFIX 5 C22 1 0.979034 0.702476 0.389763 11.00000 0.09233 0.07828 = 0.08928 -0.02237 -0.00723 0.00386 AFIX 137 H22A 2 1.016253 0.734243 0.409676 11.00000 -1.50000 H22B 2 1.000371 0.645918 0.391348 11.00000 -1.50000 H22C 2 0.922310 0.700434 0.412934 11.00000 -1.50000 AFIX 5 C23 1 0.787820 0.494882 0.466579 11.00000 0.04963 0.04630 = 0.04654 -0.01096 0.00088 0.00006 AFIX 13 H23 2 0.834225 0.463635 0.487547 11.00000 -1.20000 AFIX 5 C24 1 0.814188 0.587512 0.440101 11.00000 0.08910 0.09786 = 0.07986 -0.00600 0.00741 0.00388 AFIX 137 H24A 2 0.785684 0.608676 0.402416 11.00000 -1.50000 H24B 2 0.875187 0.591103 0.428142 11.00000 -1.50000 H24C 2 0.798206 0.620768 0.473164 11.00000 -1.50000 AFIX 5 C25 1 0.705963 0.491996 0.515143 11.00000 0.07357 0.08523 = 0.07009 -0.00931 0.00781 -0.01144 AFIX 33 H25A 2 0.717667 0.516424 0.551656 11.00000 -1.50000 H25B 2 0.661562 0.523535 0.493899 11.00000 -1.50000 H25C 2 0.687535 0.434226 0.530206 11.00000 -1.50000 AFIX 5 C26 1 0.761513 0.348205 0.303060 11.00000 0.04414 0.04710 = 0.05269 -0.01737 -0.00174 0.00404 AFIX 13 H26 2 0.822195 0.345058 0.310066 11.00000 -1.20000 AFIX 5 C27 1 0.749747 0.335404 0.234307 11.00000 0.06550 0.05793 = 0.06021 -0.01352 -0.01083 -0.00318 AFIX 33 H27A 2 0.770810 0.280656 0.228296 11.00000 -1.50000 H27B 2 0.689920 0.339012 0.228643 11.00000 -1.50000 H27C 2 0.781115 0.378497 0.202761 11.00000 -1.50000 AFIX 5 C28 1 0.706979 0.287012 0.356209 11.00000 0.07280 0.06067 = 0.06879 -0.01526 0.00099 0.00201 AFIX 33 H28A 2 0.726937 0.230241 0.356239 11.00000 -1.50000 H28B 2 0.711614 0.301718 0.397978 11.00000 -1.50000 H28C 2 0.648103 0.290608 0.347824 11.00000 -1.50000 AFIX 5 C29 1 0.468890 0.858327 0.191068 11.00000 0.03944 0.04549 = 0.04137 -0.01209 -0.00084 -0.00509 AFIX 23 H29A 2 0.520795 0.879949 0.163436 11.00000 -1.20000 H29B 2 0.420685 0.878991 0.167851 11.00000 -1.20000 AFIX 5 C30 1 0.463194 0.895741 0.253308 11.00000 0.03563 0.04307 = 0.03839 -0.01420 0.00055 -0.00511 AFIX 23 H30A 2 0.429879 0.856927 0.287948 11.00000 -1.20000 H30B 2 0.431394 0.948190 0.246090 11.00000 -1.20000 AFIX 5 C31 1 0.423889 0.743516 0.082409 11.00000 0.04759 0.05488 = 0.05265 -0.01473 -0.00151 -0.00770 AFIX 13 H31 2 0.447888 0.797941 0.058419 11.00000 -1.20000 AFIX 9 C32 1 0.440296 0.684165 0.033204 11.00000 0.07490 0.07838 = 0.07488 -0.01298 -0.00985 -0.00402 AFIX 33 H32A 2 0.405746 0.701015 -0.001722 11.00000 -1.50000 H32B 2 0.499842 0.687039 0.015872 11.00000 -1.50000 H32C 2 0.425604 0.627157 0.054552 11.00000 -1.50000 AFIX 5 C33 1 0.328870 0.761594 0.097782 11.00000 0.06742 0.07954 = 0.07788 -0.00328 -0.00787 0.00160 AFIX 137 H33A 2 0.322154 0.818192 0.106229 11.00000 -1.50000 H33B 2 0.305142 0.722004 0.135588 11.00000 -1.50000 H33C 2 0.299427 0.755979 0.061220 11.00000 -1.50000 AFIX 5 C34 1 0.335452 0.639313 0.257677 11.00000 0.04586 0.05313 = 0.05019 -0.01301 0.00154 -0.01113 AFIX 13 H34 2 0.273262 0.644539 0.267966 11.00000 -1.20000 AFIX 5 C35 1 0.359727 0.599217 0.196685 11.00000 0.07722 0.07374 = 0.07770 -0.00103 0.00480 -0.00774 AFIX 137 H35A 2 0.397086 0.637098 0.165072 11.00000 -1.50000 H35B 2 0.308663 0.589023 0.178163 11.00000 -1.50000 H35C 2 0.388539 0.546580 0.208867 11.00000 -1.50000 AFIX 5 C36 1 0.376994 0.586253 0.314184 11.00000 0.06555 0.06530 = 0.06622 -0.00283 0.00320 -0.01465 AFIX 33 H36A 2 0.349758 0.531521 0.326103 11.00000 -1.50000 H36B 2 0.436977 0.579665 0.300778 11.00000 -1.50000 H36C 2 0.370249 0.614359 0.351041 11.00000 -1.50000 AFIX 5 C37 1 0.592774 0.962326 0.389886 11.00000 0.04102 0.04770 = 0.03971 -0.01908 0.00036 0.00413 AFIX 13 H37 2 0.651967 0.963206 0.368694 11.00000 -1.20000 AFIX 5 C38 1 0.576692 0.885128 0.444825 11.00000 0.06198 0.06980 = 0.05950 -0.02289 0.00037 0.01371 AFIX 33 H38A 2 0.615135 0.887012 0.476862 11.00000 -1.50000 H38B 2 0.518484 0.885604 0.464931 11.00000 -1.50000 H38C 2 0.586365 0.834322 0.427161 11.00000 -1.50000 AFIX 5 C39 1 0.570632 1.046379 0.412376 11.00000 0.05458 0.06825 = 0.05739 -0.03098 -0.00840 -0.01115 AFIX 33 H39A 2 0.608663 1.055766 0.442995 11.00000 -1.50000 H39B 2 0.576903 1.091860 0.375310 11.00000 -1.50000 H39C 2 0.512463 1.044146 0.432908 11.00000 -1.50000 AFIX 5 C40 1 0.572186 1.072694 0.213369 11.00000 0.03959 0.04340 = 0.04309 -0.01787 0.00255 0.00408 AFIX 13 H40 2 0.518572 1.078406 0.241320 11.00000 -1.20000 AFIX 5 C41 1 0.640896 1.132824 0.225067 11.00000 0.06466 0.06009 = 0.06167 -0.01096 -0.00376 -0.00190 AFIX 33 H41A 2 0.621469 1.190190 0.215172 11.00000 -1.50000 H41B 2 0.651420 1.119664 0.269957 11.00000 -1.50000 H41C 2 0.692959 1.126390 0.197421 11.00000 -1.50000 AFIX 5 C42 1 0.557245 1.090351 0.141535 11.00000 0.05662 0.06271 = 0.05826 -0.00859 -0.01663 -0.00274 AFIX 33 H42A 2 0.534848 1.146417 0.130503 11.00000 -1.50000 H42B 2 0.610582 1.085960 0.114788 11.00000 -1.50000 H42C 2 0.516911 1.049778 0.134153 11.00000 -1.50000 AFIX 0 HKLF 4 REM 221122e in P-1 REM wR2 = 0.1950, GooF = S = 0.853, Restrained GooF = 0.777 for all data REM R1 = 0.0830 for 9838 Fo > 4sig(Fo) and 0.1417 for all 17806 data REM 1029 parameters refined using 4510 restraints END WGHT 0.1353 0.0000 REM Instructions for potential hydrogen bonds EQIV $1 -x+1, -y+1, -z+1 HTAB O59 O30_$1 HTAB O59 O47 HTAB C16 O49 EQIV $2 x+1, y, z HTAB C16 O10_$2 REM Highest difference peak 3.377, deepest hole -4.831, 1-sigma level 0.454 Q1 1 0.1340 0.3826 0.2926 11.00000 0.05 3.38 Q2 1 -0.0057 0.2484 0.4539 11.00000 0.05 3.20 Q3 1 -0.0614 0.1945 0.3079 11.00000 0.05 3.12 Q4 1 0.0377 0.1894 0.3837 11.00000 0.05 2.88 Q5 1 0.0637 0.0546 0.4032 11.00000 0.05 2.87 Q6 1 0.2881 0.3814 0.1571 11.00000 0.05 2.78 Q7 1 -0.0239 0.1406 0.2364 11.00000 0.05 2.71 Q8 1 0.0687 0.3351 0.1485 11.00000 0.05 2.67 Q9 1 0.0988 -0.0015 0.3320 11.00000 0.05 2.65 Q10 1 0.2171 0.0469 0.2719 11.00000 0.05 2.59 Q11 1 0.3463 0.1894 0.1108 11.00000 0.05 2.57 Q12 1 0.2813 0.0990 0.4097 11.00000 0.05 2.54 Q13 1 0.0948 0.4379 0.3680 11.00000 0.05 2.52 Q14 1 0.3341 0.1535 0.3188 11.00000 0.05 2.48 Q15 1 0.0971 0.1954 0.1720 11.00000 0.05 2.41 Q16 1 0.0406 0.2822 0.1182 11.00000 0.05 2.39 Q17 1 0.3757 0.2879 0.3265 11.00000 0.05 2.39 Q18 1 -0.0599 0.1045 0.2920 11.00000 0.05 2.35 Q19 1 -0.0016 0.1498 0.4343 11.00000 0.05 2.29 Q20 1 0.2577 0.2365 0.3966 11.00000 0.05 2.27 ; _shelx_res_checksum 87526 _shelx_hkl_file ; 0 0 3 3.64 0.62 0 0 4 196.11 3.88 0 0 5 93.64 2.98 0 0 6 56.15 2.57 0 0 7 283.60 6.38 0 0 8 9.50 1.73 0 0 9 55.38 3.40 0 0 10 1.46 1.28 0 0 11 5.47 2.24 0 0 12 19.54 3.15 0 0 13 100.51 5.44 0 0 14 165.59 7.24 0 0 15 7.66 2.81 0 0 16 38.89 3.97 0 0 17 15.83 3.67 0 0 18 24.32 4.18 0 0 19 -0.84 2.17 0 0 20 154.97 9.33 0 0 21 266.86 12.44 0 0 22 46.83 5.90 0 0 23 60.15 7.10 0 0 24 3.64 4.55 0 0 25 22.38 5.44 0 0 26 6.53 4.42 0 -1 25 1.88 4.73 0 -1 24 20.47 5.37 0 -1 23 -0.24 3.56 0 -1 22 111.96 8.09 0 -1 21 27.02 5.14 0 -1 20 187.80 9.80 0 -1 19 8.33 2.91 0 -1 18 1.46 2.44 0 -1 17 75.48 5.80 0 -1 16 -1.45 2.01 0 -1 15 6.50 2.37 0 -1 14 24.92 3.20 0 -1 13 15.98 2.96 0 -1 12 99.37 5.27 0 -1 11 21.55 2.70 0 -1 10 3.07 1.69 0 -1 9 139.25 5.10 0 -1 8 1090.39 14.11 0 -1 7 52.19 2.82 0 -1 6 652.73 9.41 0 -1 5 0.51 0.72 0 -1 4 456.44 6.86 0 -1 3 277.51 4.75 0 -1 2 38.88 1.60 0 1 4 58.38 2.11 0 1 5 238.40 4.76 0 1 6 26.24 1.72 0 1 7 23.98 1.80 0 1 8 25.89 2.16 0 1 9 2.66 1.15 0 1 10 122.33 5.09 0 1 11 0.72 1.65 0 1 12 134.39 6.08 0 1 13 581.82 13.28 0 1 15 373.25 11.94 0 1 16 1.64 2.21 0 1 17 138.98 8.13 0 1 18 4.24 3.41 0 1 19 20.96 3.62 0 1 20 14.24 4.40 0 1 21 39.47 5.37 0 1 22 57.41 6.90 0 1 24 -1.66 4.60 0 1 25 -4.41 4.93 0 1 26 4.15 5.14 0 1 27 5.09 5.33 0 -2 24 13.55 4.97 0 -2 23 0.16 4.22 0 -2 22 -0.42 4.08 0 -2 21 44.32 6.17 0 -2 20 11.51 4.14 0 -2 19 5.28 3.38 0 -2 18 1.52 2.82 0 -2 17 5.90 3.17 0 -2 16 45.63 4.42 0 -2 15 5.24 2.96 0 -2 14 94.26 5.96 0 -2 13 3.45 2.49 0 -2 12 113.04 5.81 0 -2 11 9.20 2.47 0 -2 10 8.21 2.18 0 -2 9 667.85 12.19 0 -2 8 258.29 7.13 0 -2 7 2407.24 23.05 0 -2 6 34.11 2.63 0 -2 5 308.60 6.62 0 -2 4 2.62 1.41 0 -2 3 272.35 5.80 0 -2 2 0.69 0.86 0 -2 1 9.51 1.32 0 -2 0 223.97 3.94 0 2 7 118.52 4.13 0 2 8 4.97 1.19 0 2 9 110.68 4.56 0 2 10 2.06 1.09 0 2 11 13.44 2.04 0 2 12 14.22 2.81 0 2 13 665.62 14.45 0 2 14 489.25 12.62 0 2 15 207.49 8.68 0 2 16 19.77 3.74 0 2 17 -3.05 3.05 0 2 18 140.67 8.98 0 2 19 23.84 4.41 0 2 20 7.25 4.17 0 2 21 11.44 4.58 0 2 22 -0.77 3.86 0 2 23 9.79 4.01 0 2 24 -3.95 4.36 0 2 25 -4.38 4.69 0 2 26 4.61 4.28 0 2 27 8.59 6.39 0 -3 22 -4.82 3.29 0 -3 21 -1.65 3.40 0 -3 20 10.38 3.98 0 -3 19 8.04 3.92 0 -3 18 -1.04 3.15 0 -3 17 23.85 4.74 0 -3 16 210.21 9.46 0 -3 15 593.40 15.92 0 -3 14 60.38 5.73 0 -3 13 91.19 6.25 0 -3 12 0.10 2.55 0 -3 11 177.49 7.68 0 -3 10 69.78 4.65 0 -3 9 17.03 2.75 0 -3 8 83.39 4.60 0 -3 7 183.71 6.50 0 -3 6 447.47 9.39 0 -3 5 41.24 3.21 0 -3 4 36.51 2.79 0 -3 3 33.33 2.69 0 -3 2 74.50 4.21 0 -3 1 20.03 1.99 0 -3 0 35.46 1.79 0 -3 -1 169.43 3.24 0 3 9 32.55 2.77 0 3 10 307.85 8.08 0 3 11 11.01 2.07 0 3 12 18.58 2.86 0 3 13 -2.39 2.24 0 3 14 79.22 5.52 0 3 15 26.89 3.83 0 3 16 3.73 2.95 0 3 17 11.35 3.56 0 3 18 9.96 4.14 0 3 19 26.20 5.20 0 3 20 7.09 4.48 0 3 21 18.94 5.58 0 3 22 -0.87 3.08 0 3 23 29.96 5.24 0 3 24 15.44 5.50 0 3 25 -4.01 4.76 0 3 26 17.73 6.30 0 3 27 3.51 4.35 0 -4 21 5.93 4.41 0 -4 20 -1.11 3.91 0 -4 19 53.18 6.27 0 -4 18 -3.10 3.29 0 -4 17 4.02 3.70 0 -4 16 207.47 9.99 0 -4 15 302.73 11.63 0 -4 14 826.35 18.32 0 -4 13 27.89 4.41 0 -4 12 0.61 3.11 0 -4 11 0.03 2.79 0 -4 10 149.51 7.12 0 -4 9 0.63 2.37 0 -4 8 10.82 2.88 0 -4 7 33.07 3.46 0 -4 6 -3.23 1.82 0 -4 4 4.94 2.06 0 -4 3 152.72 6.95 0 -4 2 14.77 2.43 0 -4 1 785.66 12.20 0 -4 0 258.00 5.63 0 -4 -1 4.83 0.84 0 4 11 457.80 10.75 0 4 12 7.76 2.07 0 4 13 45.17 4.10 0 4 14 11.75 3.28 0 4 15 4.70 2.18 0 4 16 57.08 5.32 0 4 17 -2.23 2.31 0 4 18 12.47 3.52 0 4 19 8.11 3.38 0 4 20 21.82 5.18 0 4 21 9.34 4.87 0 4 22 7.20 5.23 0 4 23 32.41 7.11 0 4 24 6.66 4.37 0 4 25 9.00 4.42 0 4 26 -1.25 5.19 0 4 27 0.46 5.89 0 -5 20 -3.10 3.96 0 -5 19 -7.51 3.67 0 -5 18 59.56 6.68 0 -5 17 4.19 3.90 0 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4.16 2 -6 4 18.71 1.96 2 -6 5 171.97 5.65 2 -6 6 4.88 1.34 2 -6 7 61.43 3.70 2 -6 8 24.09 2.81 2 -6 9 564.35 11.65 2 -6 10 129.19 5.90 2 -6 11 43.34 4.05 2 -6 12 5.93 1.95 2 -6 13 0.67 2.38 2 -6 14 68.85 5.49 2 -6 15 4.44 3.08 2 -6 16 25.13 4.24 2 -6 17 12.27 3.90 2 -6 18 -2.98 3.14 2 -6 19 14.93 4.30 2 -6 20 4.89 3.72 2 -6 21 8.41 3.30 2 -6 22 12.97 4.76 -2 5 15 111.40 6.13 -2 5 14 -1.96 2.13 -2 5 13 111.17 5.51 -2 5 12 149.86 5.96 -2 5 11 134.46 5.45 -2 5 10 11.44 2.03 -2 5 9 23.06 2.55 -2 5 8 16.06 2.32 -2 5 7 1.78 1.73 -2 5 6 10.58 2.39 -2 5 5 17.05 3.52 2 -5 -4 27.62 2.45 2 -5 -3 192.71 5.83 2 -5 -2 36.23 2.75 2 -5 -1 8.73 1.32 2 -5 0 18.90 1.71 2 -5 1 1375.88 14.83 2 -5 2 185.19 5.10 2 -5 3 231.13 5.80 2 -5 4 3.90 1.32 2 -5 5 88.03 3.81 2 -5 6 205.64 5.95 2 -5 7 8.71 1.59 2 -5 8 27.61 2.68 2 -5 9 1.42 1.76 2 -5 10 17.34 2.75 2 -5 11 0.53 1.56 2 -5 12 26.53 3.35 2 -5 13 37.17 3.85 2 -5 14 2.69 2.56 2 -5 15 12.61 3.39 2 -5 16 3.92 2.29 2 -5 17 38.53 4.72 2 -5 18 -0.02 2.21 2 -5 19 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499.43 9.94 4 1 7 88.34 4.46 4 1 8 29.04 2.82 4 1 9 219.96 7.24 4 1 10 1.48 1.86 4 1 11 3.03 2.35 4 1 12 -2.12 2.26 4 1 13 37.09 3.72 4 1 14 23.37 3.29 4 1 15 64.04 4.82 4 1 16 10.30 2.44 4 1 17 9.85 2.75 4 1 18 556.76 14.68 4 1 19 26.70 4.89 4 1 20 85.12 6.68 4 1 21 5.10 2.61 4 1 22 47.80 5.08 4 1 23 22.68 4.68 4 1 24 -2.41 3.69 4 1 25 63.05 7.55 -4 -2 12 12.92 1.82 -4 -2 11 82.15 3.42 -4 -2 10 42.62 2.46 -4 -2 9 9.35 1.34 -4 -2 8 1.87 0.89 -4 -2 7 34.89 2.05 -4 -2 6 44.58 2.38 -4 -2 5 2.97 1.36 -4 -2 4 1427.39 16.07 -4 -2 3 155.08 5.32 4 2 -2 3242.40 32.81 4 2 -1 566.72 10.82 4 2 0 62.60 3.51 4 2 1 48.60 2.96 4 2 2 34.76 2.45 4 2 3 11.01 1.72 4 2 4 13.58 2.04 4 2 5 316.99 7.61 4 2 6 8.33 1.86 4 2 7 8.73 1.64 4 2 8 1.50 1.30 4 2 9 4.31 1.61 4 2 10 248.68 7.98 4 2 11 11.95 2.61 4 2 12 234.51 8.58 4 2 13 3.05 1.76 4 2 14 45.61 3.98 4 2 15 55.88 4.70 4 2 16 16.30 3.20 4 2 17 167.57 7.81 4 2 18 142.52 7.75 4 2 19 678.35 16.43 4 2 20 9.15 3.62 4 2 21 12.72 4.01 4 2 22 17.01 4.46 4 2 23 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406.46 10.86 4 4 4 106.10 5.50 4 4 5 282.27 8.53 4 4 6 7.31 1.80 4 4 7 89.23 4.77 4 4 8 6.75 2.24 4 4 9 45.63 3.76 4 4 10 461.17 11.02 4 4 11 448.34 11.23 4 4 12 1141.70 18.42 4 4 13 4.43 2.65 4 4 14 6.59 2.30 4 4 15 0.56 2.02 4 4 16 55.47 5.48 4 4 17 24.00 3.53 4 4 18 -3.66 2.83 4 4 19 9.15 3.16 4 4 20 0.43 3.29 4 4 21 24.47 4.42 4 4 22 5.48 2.88 4 4 23 3.82 3.87 4 4 24 0.83 4.05 4 4 25 18.74 5.64 -4 -5 12 7.67 2.06 -4 -5 11 69.55 4.04 -4 -5 10 430.99 9.32 -4 -5 9 1.95 2.17 -4 -5 8 99.29 4.82 -4 -5 7 14.62 2.52 -4 -5 6 50.77 3.80 -4 -5 5 106.96 5.52 -4 -5 4 5.96 2.11 -4 -5 3 51.69 4.24 -4 -5 2 0.62 2.29 -4 -5 1 270.07 9.74 4 5 0 20.78 3.70 4 5 1 5.45 2.34 4 5 2 152.69 7.83 4 5 3 404.32 11.77 4 5 4 711.81 15.39 4 5 5 15.31 3.13 4 5 6 8.50 2.01 4 5 7 16.54 2.86 4 5 8 413.83 10.86 4 5 9 10.24 2.16 4 5 10 7.52 2.70 4 5 11 149.08 6.80 4 5 12 30.49 3.82 4 5 13 51.47 4.66 4 5 14 2.51 2.54 4 5 15 37.22 4.42 4 5 16 0.48 2.84 4 5 17 12.93 4.02 4 5 18 1.69 2.76 4 5 19 15.85 4.31 4 5 20 18.73 3.76 4 5 21 14.57 4.46 4 5 22 2.52 2.74 4 5 23 2.36 3.79 4 5 24 107.66 8.75 4 5 25 25.85 5.03 -4 -6 12 25.24 2.99 -4 -6 11 3.42 2.15 -4 -6 10 4.29 1.97 -4 -6 9 20.73 2.86 -4 -6 8 -0.98 1.71 -4 -6 7 -0.41 1.82 -4 -6 6 31.09 3.52 -4 -6 5 466.10 11.92 -4 -6 4 381.52 10.59 -4 -6 3 214.45 8.30 -4 -6 2 37.93 4.60 -4 -6 1 -0.61 1.55 4 6 1 2.47 2.40 4 6 2 121.20 7.33 4 6 3 214.16 9.59 4 6 4 443.03 13.12 4 6 5 302.58 10.61 4 6 6 20.42 3.57 4 6 7 56.74 4.52 4 6 8 8.36 2.31 4 6 9 53.25 4.38 4 6 10 15.56 2.66 4 6 11 -1.20 2.46 4 6 12 59.82 4.77 4 6 13 4.25 3.08 4 6 14 45.72 4.78 4 6 15 13.61 3.51 4 6 16 88.34 6.43 4 6 17 5.35 3.51 4 6 18 134.53 8.53 4 6 19 1.38 2.98 4 6 20 3.75 4.18 4 6 21 45.69 5.87 4 6 22 -0.89 2.76 4 6 23 4.21 4.38 4 6 24 4.90 4.61 4 6 25 29.09 6.07 -4 -7 12 11.83 2.82 -4 -7 11 26.02 3.49 -4 -7 10 13.85 2.79 -4 -7 9 0.00 2.04 -4 -7 8 243.46 8.35 -4 -7 7 0.21 2.24 -4 -7 6 9.49 3.05 -4 -7 5 73.04 5.39 -4 -7 4 880.23 17.40 -4 -7 3 608.11 14.80 -4 -7 2 107.63 7.43 -4 -7 1 -0.93 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16 3.43 2.72 4 8 17 19.12 4.49 4 8 18 25.79 5.07 4 8 19 6.41 3.39 4 8 20 -2.26 2.78 4 8 21 17.91 5.31 4 8 22 14.03 5.48 4 8 23 35.60 6.71 4 8 24 -3.91 3.10 4 8 25 47.16 7.76 -4 -9 13 22.28 3.82 -4 -9 12 7.71 3.11 -4 -9 11 380.16 12.01 -4 -9 10 16.55 3.90 -4 -9 9 2.02 3.25 -4 -9 8 67.01 6.01 -4 -9 7 37.02 4.75 -4 -9 6 152.70 8.08 -4 -9 5 -1.25 2.49 -4 -9 4 2.15 2.70 -4 -9 3 6.61 3.40 -4 -9 2 4.78 3.76 -4 -9 1 22.87 4.99 -4 -9 0 24.73 4.29 4 9 2 1.85 2.89 4 9 3 32.40 4.92 4 9 4 -1.07 2.37 4 9 5 181.40 10.50 4 9 6 61.40 6.78 4 9 7 79.66 6.43 4 9 8 10.52 3.38 4 9 9 0.36 3.57 4 9 10 131.97 8.47 4 9 11 0.16 2.50 4 9 12 6.98 3.53 4 9 13 3.33 3.33 4 9 14 41.92 5.01 4 9 15 8.83 4.17 4 9 16 31.55 5.31 4 9 17 25.76 5.32 4 9 18 4.67 4.25 4 9 19 55.11 6.94 4 9 20 3.16 4.37 4 9 21 33.50 6.30 4 9 22 -0.28 3.37 4 9 23 -2.26 3.66 4 9 24 12.32 6.43 4 9 25 2.07 5.44 -4 -10 13 5.63 3.15 -4 -10 12 51.45 5.28 -4 -10 11 5.23 2.88 -4 -10 10 119.29 8.04 -4 -10 9 7.97 4.24 -4 -10 8 -0.94 3.38 -4 -10 7 18.36 3.46 -4 -10 6 5.57 2.49 -4 -10 5 5.65 2.53 -4 -10 4 6.57 3.25 -4 -10 3 58.18 5.80 -4 -10 2 20.70 4.47 -4 -10 1 125.70 8.36 -4 -10 0 9.71 3.58 -4 -10 -1 1.01 2.56 4 10 2 47.17 5.98 4 10 3 32.16 6.08 4 10 4 79.93 7.23 4 10 5 1.44 3.09 4 10 6 27.96 5.66 4 10 7 17.58 4.11 4 10 8 1.01 3.53 4 10 9 2.80 2.84 4 10 10 20.33 4.73 4 10 11 0.43 2.54 4 10 12 7.17 4.03 4 10 13 43.51 6.05 4 10 14 19.42 4.23 4 10 15 22.55 4.42 4 10 16 57.96 6.57 4 10 17 13.00 4.87 4 10 18 69.31 7.81 4 10 19 -0.99 4.16 4 10 20 40.67 6.64 4 10 21 6.72 3.88 4 10 22 -0.38 3.69 4 10 23 -1.24 5.35 4 10 24 -5.94 5.25 -4 -11 13 45.51 5.67 -4 -11 12 1.39 3.28 -4 -11 11 2.74 3.53 -4 -11 10 3.32 3.84 -4 -11 9 20.80 4.84 -4 -11 8 26.96 4.17 -4 -11 7 39.88 5.25 -4 -11 6 13.92 3.95 -4 -11 5 1.20 2.90 -4 -11 4 3.80 3.33 -4 -11 3 0.96 2.80 -4 -11 2 130.31 9.51 -4 -11 1 6.60 3.22 -4 -11 0 54.50 6.40 -4 -11 -1 -0.57 2.38 4 11 2 12.70 4.77 4 11 3 44.88 5.91 4 11 4 0.41 2.90 4 11 5 10.95 4.61 4 11 6 1.32 4.12 4 11 7 131.19 9.33 4 11 8 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3.62 5 -11 19 -1.31 4.65 5 -11 20 -1.84 4.99 -5 10 10 74.16 7.56 -5 10 9 -4.18 3.48 -5 10 8 125.16 10.43 5 -10 -7 2.50 2.62 5 -10 -6 160.33 9.24 5 -10 -5 24.11 3.85 5 -10 -4 135.58 7.72 5 -10 -3 29.55 4.04 5 -10 -2 5.86 2.48 5 -10 -1 4.02 2.00 5 -10 0 0.45 2.21 5 -10 1 11.66 2.63 5 -10 2 0.74 1.98 5 -10 3 42.73 3.76 5 -10 4 23.13 3.18 5 -10 5 2.40 2.23 5 -10 6 21.66 3.08 5 -10 7 12.86 3.30 5 -10 8 56.98 4.85 5 -10 9 2.46 2.21 5 -10 10 31.66 4.10 5 -10 11 4.81 2.70 5 -10 12 59.79 5.94 5 -10 13 3.19 2.51 5 -10 14 9.35 3.04 5 -10 15 0.90 3.29 5 -10 16 0.66 3.53 5 -10 17 15.31 4.67 5 -10 18 -4.22 3.73 5 -10 19 -3.16 2.96 5 -10 20 17.74 5.79 5 -10 21 11.13 5.56 -5 9 10 84.27 7.42 -5 9 9 31.11 5.16 -5 9 8 29.22 6.08 5 -9 -7 23.69 3.79 5 -9 -6 6.69 3.04 5 -9 -5 61.51 4.97 5 -9 -4 5.51 2.82 5 -9 -3 -5.17 2.46 5 -9 -2 17.31 3.21 5 -9 -1 70.87 5.05 5 -9 0 299.14 8.90 5 -9 1 16.03 2.39 5 -9 2 0.80 1.34 5 -9 3 1.56 1.42 5 -9 4 104.90 5.45 5 -9 5 -1.19 1.98 5 -9 6 10.27 2.33 5 -9 7 24.51 3.23 5 -9 8 22.28 3.17 5 -9 9 3.51 2.06 5 -9 10 -1.16 1.77 5 -9 11 -0.61 2.11 5 -9 12 -6.89 2.88 5 -9 13 9.97 3.18 5 -9 15 -0.68 2.10 5 -9 16 36.42 5.38 5 -9 17 1.58 2.66 5 -9 18 0.84 2.85 5 -9 19 11.79 4.83 5 -9 20 126.88 9.91 5 -9 21 36.74 6.60 5 -9 22 37.01 6.73 -5 8 10 6.86 3.59 -5 8 9 -1.55 2.76 -5 8 8 -0.75 4.52 5 -8 -7 4.56 2.19 5 -8 -6 19.41 3.31 5 -8 -5 -0.84 1.66 5 -8 -4 105.92 5.99 5 -8 -3 1.04 2.08 5 -8 -2 11.46 2.51 5 -8 -1 79.05 4.62 5 -8 0 97.73 4.80 5 -8 1 96.39 4.72 5 -8 2 0.62 1.19 5 -8 3 91.09 4.86 5 -8 4 -0.11 2.04 5 -8 5 131.04 6.21 5 -8 6 8.76 2.47 5 -8 7 54.96 4.20 5 -8 8 34.34 3.87 5 -8 9 54.88 4.71 5 -8 10 44.99 4.45 5 -8 11 3.65 2.33 5 -8 12 35.63 4.78 5 -8 13 48.88 4.99 5 -8 14 49.14 4.96 5 -8 15 12.84 3.10 5 -8 16 14.32 3.35 5 -8 17 51.90 5.47 5 -8 18 3.59 3.76 5 -8 19 -1.56 3.56 5 -8 20 6.91 3.70 5 -8 21 88.30 8.43 5 -8 22 35.10 6.47 5 -8 23 2.40 3.64 -5 7 10 32.91 3.73 -5 7 9 193.88 8.87 -5 7 8 418.04 13.38 -5 7 7 315.78 13.19 5 -7 -6 1.88 1.94 5 -7 -5 1.55 1.52 5 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2 212.57 5.55 5 -4 3 66.30 3.31 5 -4 4 -0.19 1.16 5 -4 5 158.65 5.63 5 -4 6 61.48 3.72 5 -4 7 610.48 12.12 5 -4 8 11.56 2.44 5 -4 9 1.14 1.53 5 -4 10 -0.63 2.16 5 -4 11 57.10 4.84 5 -4 12 -0.29 2.57 5 -4 13 13.93 2.84 5 -4 14 14.57 3.41 5 -4 15 6.40 2.45 5 -4 16 49.51 5.18 5 -4 17 8.63 2.75 5 -4 18 96.51 7.13 5 -4 19 190.91 9.82 5 -4 20 138.94 8.75 5 -4 21 112.83 8.30 5 -4 22 0.27 3.89 5 -4 23 31.58 5.75 5 -4 24 5.40 4.72 5 -4 25 2.18 4.38 -5 3 7 7.39 0.90 -5 3 6 156.42 3.42 5 -3 -4 17.63 1.60 5 -3 -3 290.38 5.08 5 -3 -2 585.42 7.73 5 -3 -1 1869.54 16.33 5 -3 0 26.28 1.76 5 -3 1 205.46 4.94 5 -3 2 2.13 0.82 5 -3 3 164.56 5.13 5 -3 4 39.86 2.79 5 -3 5 2.33 1.62 5 -3 6 66.78 4.04 5 -3 7 9.06 1.96 5 -3 8 3.84 2.02 5 -3 9 4.58 2.21 5 -3 10 60.25 4.57 5 -3 11 33.94 4.04 5 -3 12 375.46 11.15 5 -3 13 125.69 7.00 5 -3 14 16.85 3.04 5 -3 15 55.31 5.25 5 -3 16 1.46 3.04 5 -3 17 11.02 3.67 5 -3 18 -0.55 2.33 5 -3 19 290.11 11.75 5 -3 20 131.84 8.85 5 -3 21 119.96 8.59 5 -3 22 21.46 4.89 5 -3 23 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10 140.76 6.08 5 1 11 6.66 2.49 5 1 12 16.32 3.00 5 1 13 4.07 1.83 5 1 14 29.66 3.29 5 1 15 28.27 3.70 5 1 16 4.44 2.66 5 1 17 4.81 2.38 5 1 18 46.02 4.63 5 1 19 100.15 7.01 5 1 20 15.79 3.94 5 1 21 5.69 2.69 5 1 22 5.51 2.78 5 1 23 31.92 4.98 5 1 24 5.91 3.88 5 1 26 11.03 5.36 -5 -2 10 50.57 2.75 -5 -2 9 5.26 1.57 -5 -2 8 52.31 2.90 -5 -2 7 54.48 3.43 -5 -2 5 8.43 2.12 5 2 -4 117.74 6.39 5 2 -3 1678.13 21.32 5 2 -2 26.51 2.91 5 2 -1 688.38 12.27 5 2 0 6.15 1.63 5 2 1 307.49 7.64 5 2 2 209.78 6.25 5 2 3 154.50 5.58 5 2 4 3.35 1.41 5 2 5 6.25 1.92 5 2 6 6.06 2.00 5 2 7 3.13 1.72 5 2 8 178.20 6.57 5 2 9 28.84 3.02 5 2 10 23.28 2.97 5 2 11 -1.23 2.43 5 2 12 6.70 2.09 5 2 13 56.57 4.23 5 2 14 17.71 2.92 5 2 15 137.50 6.78 5 2 16 1.73 1.82 5 2 17 7.99 2.42 5 2 18 62.82 5.08 5 2 19 35.02 4.16 5 2 20 43.19 4.73 5 2 21 1.97 3.17 5 2 22 35.96 5.30 5 2 23 4.23 3.76 5 2 24 31.01 5.35 5 2 25 2.07 3.97 5 2 26 2.90 4.36 -5 -3 10 22.98 2.56 -5 -3 9 567.16 10.30 -5 -3 8 8.68 1.97 -5 -3 7 83.11 4.56 -5 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113.89 6.23 6 -10 1 3.93 2.20 6 -10 2 9.75 2.52 6 -10 3 1.54 1.47 6 -10 4 19.94 2.81 6 -10 5 7.41 2.26 6 -10 6 399.92 12.08 6 -10 7 267.62 10.41 6 -10 8 290.72 11.08 6 -10 9 109.44 6.98 6 -10 10 1.40 2.81 6 -10 11 33.72 4.68 6 -10 12 0.33 2.31 6 -10 13 7.81 3.55 6 -10 14 -1.27 3.04 6 -10 15 5.86 2.87 6 -10 16 1.31 2.64 6 -10 17 -2.37 2.39 6 -10 18 0.09 3.68 6 -10 19 2.92 4.42 6 -10 20 36.44 6.68 6 -10 21 0.54 4.92 -6 9 8 18.09 5.88 6 -9 -7 1.26 2.14 6 -9 -6 51.76 4.95 6 -9 -5 6.24 2.41 6 -9 -4 112.56 6.94 6 -9 -3 -0.52 1.79 6 -9 -2 178.26 7.58 6 -9 -1 64.34 4.66 6 -9 0 483.18 11.57 6 -9 1 143.75 6.32 6 -9 2 0.42 1.30 6 -9 3 63.19 4.34 6 -9 4 5.96 2.00 6 -9 5 33.79 3.91 6 -9 6 8.27 2.36 6 -9 7 121.89 6.79 6 -9 8 94.87 6.00 6 -9 9 31.86 3.92 6 -9 10 1.27 2.03 6 -9 11 -0.31 2.82 6 -9 12 6.48 2.87 6 -9 13 4.73 3.57 6 -9 14 6.87 3.55 6 -9 15 2.40 3.39 6 -9 16 26.76 5.00 6 -9 17 16.79 4.66 6 -9 19 26.43 4.89 6 -9 20 10.84 5.13 6 -9 21 163.89 11.37 6 -9 22 17.16 5.94 -6 8 8 215.03 11.29 6 -8 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10.05 3.09 6 -7 16 -1.75 2.79 6 -7 17 2.66 3.29 6 -7 18 67.38 6.34 6 -7 19 5.61 4.02 6 -7 20 4.40 3.30 6 -7 21 20.14 5.65 6 -7 22 0.78 4.79 6 -7 23 4.96 3.85 -6 6 8 2014.44 25.70 -6 6 7 56.37 6.08 6 -6 -6 229.33 7.68 6 -6 -5 16.30 2.39 6 -6 -4 40.78 3.16 6 -6 -3 38.55 2.94 6 -6 -2 2.70 1.29 6 -6 -1 10.44 1.70 6 -6 0 6.83 1.65 6 -6 1 2.34 1.33 6 -6 2 1.57 1.42 6 -6 3 13.95 2.19 6 -6 4 180.88 6.45 6 -6 5 282.97 8.45 6 -6 6 757.22 14.11 6 -6 7 21.45 2.77 6 -6 8 79.78 4.85 6 -6 9 0.95 1.63 6 -6 10 75.14 5.35 6 -6 11 10.89 2.47 6 -6 12 47.42 4.84 6 -6 13 237.75 9.91 6 -6 14 106.61 7.35 6 -6 15 229.92 10.05 6 -6 16 4.38 2.61 6 -6 17 -0.53 2.99 6 -6 18 4.20 2.79 6 -6 19 9.53 4.19 6 -6 20 4.74 3.07 6 -6 21 3.08 3.29 6 -6 22 -2.17 4.16 6 -6 23 -3.79 4.11 6 -6 24 -4.58 4.11 -6 5 7 380.07 9.79 6 -5 -6 2.07 1.34 6 -5 -5 6.57 1.51 6 -5 -4 39.64 2.85 6 -5 -3 16.12 1.84 6 -5 -2 2.87 1.27 6 -5 -1 1.73 1.10 6 -5 0 8.48 1.51 6 -5 1 1.49 0.89 6 -5 2 199.45 6.10 6 -5 3 34.88 2.67 6 -5 4 55.14 3.63 6 -5 5 317.00 8.64 6 -5 6 386.56 9.82 6 -5 7 835.28 15.11 6 -5 8 14.24 2.46 6 -5 9 13.33 2.76 6 -5 10 4.86 1.88 6 -5 11 183.83 7.70 6 -5 12 1.33 2.39 6 -5 13 8.96 2.56 6 -5 14 29.43 3.86 6 -5 15 -1.32 3.09 6 -5 16 -3.77 2.72 6 -5 17 1.39 2.17 6 -5 18 0.94 2.53 6 -5 19 2.59 3.52 6 -5 20 1.54 3.77 6 -5 21 -1.73 2.69 6 -5 22 7.61 3.61 6 -5 23 21.01 4.56 6 -5 24 2.41 3.16 6 -5 25 0.23 3.11 -6 4 6 6.92 2.73 6 -4 -5 4.12 1.12 6 -4 -4 6.86 1.30 6 -4 -3 100.79 3.54 6 -4 -2 423.58 7.42 6 -4 -1 486.02 8.16 6 -4 0 42.43 2.51 6 -4 1 4.20 1.20 6 -4 2 2.20 1.22 6 -4 3 127.72 4.81 6 -4 4 4.62 1.61 6 -4 5 282.84 7.81 6 -4 6 471.86 10.95 6 -4 7 527.38 12.04 6 -4 8 296.51 9.15 6 -4 9 4.94 2.41 6 -4 10 32.34 3.51 6 -4 11 2.38 1.96 6 -4 12 16.35 3.45 6 -4 13 6.56 3.07 6 -4 14 5.90 2.50 6 -4 15 19.99 4.25 6 -4 16 -1.94 2.00 6 -4 17 2.29 2.29 6 -4 18 8.01 3.58 6 -4 19 77.49 6.80 6 -4 20 2.97 2.73 6 -4 21 24.55 4.29 6 -4 22 0.40 2.85 6 -4 23 -1.91 3.88 6 -4 24 33.41 6.07 6 -4 25 1.27 4.75 6 -3 -4 3.51 0.95 6 -3 -3 85.21 2.80 6 -3 -2 181.39 4.20 6 -3 -1 650.10 8.78 6 -3 0 345.84 6.53 6 -3 1 39.21 2.39 6 -3 2 45.82 2.88 6 -3 3 12.95 1.95 6 -3 4 277.29 7.67 6 -3 5 13.65 2.02 6 -3 6 35.47 3.11 6 -3 7 0.13 1.94 6 -3 8 15.66 2.44 6 -3 9 33.24 3.31 6 -3 10 12.76 2.40 6 -3 11 7.88 2.75 6 -3 12 8.03 2.47 6 -3 13 -1.37 2.45 6 -3 14 -0.84 1.88 6 -3 15 59.80 5.52 6 -3 16 36.79 4.83 6 -3 17 15.97 3.40 6 -3 18 18.35 3.67 6 -3 19 1.40 2.76 6 -3 20 104.29 7.54 6 -3 21 13.18 3.81 6 -3 22 6.36 4.22 6 -3 23 -0.68 3.90 6 -3 24 13.37 4.76 6 -3 25 5.10 3.55 6 -3 26 0.95 4.63 6 -2 -3 5.14 0.75 6 -2 -2 410.24 5.83 6 -2 -1 184.77 4.24 6 -2 0 323.16 6.39 6 -2 1 92.81 3.56 6 -2 2 2.58 0.89 6 -2 3 23.30 2.17 6 -2 4 0.52 0.88 6 -2 5 47.46 3.36 6 -2 6 3.78 1.39 6 -2 7 21.77 2.51 6 -2 8 58.02 3.92 6 -2 9 7.28 2.36 6 -2 10 -1.13 1.28 6 -2 11 29.26 3.49 6 -2 12 274.82 8.98 6 -2 13 4.20 2.02 6 -2 14 49.23 4.51 6 -2 15 17.01 3.38 6 -2 16 4.22 2.90 6 -2 17 22.51 4.04 6 -2 18 0.00 2.93 6 -2 19 1.48 3.37 6 -2 20 6.26 3.20 6 -2 21 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2 3 22.61 2.58 6 2 4 5.57 1.66 6 2 5 23.78 2.66 6 2 6 1.99 1.83 6 2 7 40.98 3.57 6 2 8 13.25 2.73 6 2 9 130.44 6.41 6 2 10 30.37 3.53 6 2 11 68.58 5.05 6 2 12 74.81 5.01 6 2 13 6.65 2.21 6 2 14 75.28 5.29 6 2 15 8.93 2.48 6 2 16 -0.33 1.69 6 2 17 0.41 1.81 6 2 18 -0.46 2.53 6 2 19 5.79 3.21 6 2 20 4.72 3.23 6 2 21 2.51 2.53 6 2 22 2.25 2.80 6 2 23 7.53 3.31 6 2 24 5.57 4.12 6 2 25 2.62 4.00 6 2 26 7.52 4.34 6 2 27 15.69 5.35 -6 -3 8 -0.65 2.08 -6 -3 7 0.42 2.75 -6 -3 6 87.03 5.41 6 3 -5 2.70 3.01 6 3 -4 36.41 4.45 6 3 -3 20.81 3.76 6 3 -2 8.07 2.78 6 3 -1 29.20 3.62 6 3 0 39.67 3.62 6 3 1 319.65 9.54 6 3 2 3.25 1.99 6 3 3 446.45 10.81 6 3 4 126.26 6.06 6 3 5 424.16 10.88 6 3 6 296.02 9.33 6 3 7 169.51 7.17 6 3 8 295.47 9.28 6 3 9 13.07 2.42 6 3 10 113.93 6.23 6 3 11 -1.32 1.66 6 3 12 69.79 5.19 6 3 13 10.31 3.37 6 3 14 14.10 3.76 6 3 15 41.87 4.13 6 3 16 1.61 2.05 6 3 17 6.91 2.67 6 3 18 5.05 2.38 6 3 19 23.98 3.59 6 3 20 4.82 2.56 6 3 21 9.89 3.10 6 3 22 3.34 2.84 6 3 23 5.01 3.18 6 3 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60.95 6.30 6 8 12 4.44 2.64 6 8 13 144.26 8.81 6 8 14 63.07 6.66 6 8 15 477.64 16.12 6 8 16 3.45 3.16 6 8 17 0.81 2.88 6 8 18 16.18 4.49 6 8 19 9.16 3.59 6 8 20 -1.50 3.95 6 8 21 16.52 5.62 6 8 23 4.21 5.54 6 8 24 6.31 5.08 6 8 25 5.42 4.23 6 8 26 11.86 5.71 -6 -9 9 -3.43 3.14 -6 -9 8 -2.26 3.54 -6 -9 7 233.80 12.23 -6 -9 6 21.80 5.58 -6 -9 5 51.38 6.98 -6 -9 4 25.36 5.30 -6 -9 3 61.16 7.08 6 9 -1 0.85 5.29 6 9 0 107.32 9.76 6 9 1 4.27 3.57 6 9 2 82.23 7.32 6 9 3 20.32 5.41 6 9 4 101.02 8.27 6 9 5 0.53 2.55 6 9 6 1.17 3.53 6 9 7 85.83 8.09 6 9 8 -1.25 2.36 6 9 9 5.00 2.99 6 9 10 1.67 2.88 6 9 11 50.71 6.10 6 9 12 1.11 2.67 6 9 13 35.34 5.08 6 9 14 391.47 15.26 6 9 15 8.83 3.87 6 9 16 227.34 11.73 6 9 17 13.21 4.70 6 9 18 39.70 5.66 6 9 19 9.78 3.68 6 9 20 17.95 5.40 6 9 21 -1.72 3.37 6 9 23 -1.15 4.31 6 9 24 3.26 6.06 6 9 25 10.06 4.58 6 9 26 1.86 5.52 -6 -10 9 4.23 3.87 -6 -10 8 8.07 4.72 -6 -10 7 0.27 3.66 -6 -10 6 130.62 9.93 -6 -10 5 29.81 5.39 -6 -10 4 2.11 3.97 -6 -10 3 2.89 4.65 6 10 -1 9.52 4.71 6 10 0 2.98 4.37 6 10 1 4.36 4.28 6 10 2 6.58 4.67 6 10 3 28.76 5.68 6 10 4 1.13 4.25 6 10 5 100.85 8.36 6 10 6 353.50 14.21 6 10 7 207.67 11.85 6 10 8 526.64 18.21 6 10 9 5.72 3.11 6 10 10 0.02 3.75 6 10 11 6.81 4.47 6 10 12 7.76 4.45 6 10 13 9.42 3.94 6 10 14 58.70 6.62 6 10 15 157.99 10.46 6 10 16 7.12 3.74 6 10 17 11.45 5.16 6 10 18 -1.75 3.09 6 10 19 2.96 3.36 6 10 20 -0.64 4.65 6 10 21 11.79 4.66 6 10 22 -6.16 5.28 6 10 23 -4.55 5.58 6 10 24 23.25 7.49 6 10 25 3.04 6.12 6 10 26 0.68 6.59 -6 -11 9 48.76 6.21 -6 -11 8 8.16 4.84 -6 -11 7 12.98 4.68 -6 -11 6 -2.20 4.96 -6 -11 5 7.63 5.32 -6 -11 4 1.52 4.43 -6 -11 3 -0.09 4.72 -6 -11 2 8.17 3.59 6 11 -1 43.91 6.91 6 11 0 57.27 6.76 6 11 1 1.19 4.10 6 11 2 25.05 5.94 6 11 3 3.79 4.40 6 11 4 73.38 7.57 6 11 5 -5.41 3.23 6 11 6 118.13 9.13 6 11 7 643.28 20.04 6 11 8 76.60 8.14 6 11 9 195.61 11.56 6 11 10 1.73 3.21 6 11 11 98.76 8.29 6 11 12 0.72 4.32 6 11 13 11.42 4.88 6 11 14 -1.68 4.36 6 11 15 -0.80 3.28 6 11 16 -1.69 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6.64 6 13 3 8.48 3.71 6 13 4 106.74 9.16 6 13 5 1.54 3.33 6 13 6 24.67 6.12 6 13 7 0.76 3.12 6 13 8 4.17 3.48 6 13 9 1.48 4.65 6 13 10 5.58 3.97 6 13 11 15.44 4.55 6 13 12 3.43 5.17 6 13 13 223.18 13.70 6 13 14 36.47 6.38 6 13 15 33.91 6.32 6 13 16 -3.39 5.25 6 13 17 16.86 5.29 6 13 18 9.10 4.88 6 13 19 -5.51 5.51 6 13 20 97.15 10.40 6 13 21 30.88 8.16 6 13 22 75.39 10.45 6 13 23 2.59 4.76 6 13 24 2.88 7.18 -6 -14 9 148.46 12.08 -6 -14 8 121.47 11.78 -6 -14 7 188.34 13.35 -6 -14 6 93.97 9.80 -6 -14 5 1.72 3.67 -6 -14 4 16.48 6.64 -6 -14 3 3.91 5.10 6 14 -1 -1.02 3.04 6 14 0 46.96 5.42 6 14 1 34.51 4.95 6 14 2 7.81 3.24 6 14 3 7.97 4.45 6 14 4 3.57 3.28 6 14 5 33.81 5.56 6 14 6 10.35 5.28 6 14 7 63.55 7.28 6 14 8 2.84 4.57 6 14 9 1.30 3.62 6 14 10 9.13 4.43 6 14 11 8.61 6.04 6 14 12 151.10 11.11 6 14 13 22.04 5.85 6 14 14 429.46 19.33 6 14 15 10.15 4.90 6 14 16 5.86 6.15 6 14 18 0.64 4.65 6 14 19 7.74 7.06 6 14 20 4.22 5.22 6 14 21 7.16 7.48 6 14 22 -6.92 6.47 6 14 23 -3.31 5.03 -6 -15 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7 5 -2 6.87 3.65 7 5 -1 37.74 5.33 7 5 0 2.39 2.38 7 5 1 5.82 2.48 7 5 2 3.02 1.99 7 5 3 20.82 3.74 7 5 4 34.72 4.20 7 5 5 -0.18 2.49 7 5 6 125.39 7.43 7 5 7 5.60 2.66 7 5 8 1237.24 22.90 7 5 9 354.17 12.13 7 5 10 249.35 10.36 7 5 11 3.06 2.42 7 5 12 1.34 3.08 7 5 13 69.19 5.65 7 5 14 0.50 3.22 7 5 15 71.06 6.04 7 5 16 14.91 3.93 7 5 17 82.28 7.49 7 5 18 3.20 4.05 7 5 19 1.37 2.47 7 5 20 8.50 3.21 7 5 21 0.93 3.67 7 5 22 25.35 5.31 7 5 23 -5.65 3.65 7 5 25 14.35 5.02 7 5 26 6.34 4.81 7 5 27 0.34 4.71 -7 -6 7 107.25 8.50 -7 -6 6 67.68 7.55 7 6 -4 158.87 11.28 7 6 -3 11.46 4.39 7 6 -2 21.76 4.76 7 6 -1 2.07 3.91 7 6 0 426.80 15.53 7 6 1 18.21 4.50 7 6 2 125.19 8.53 7 6 3 1.95 2.38 7 6 4 58.96 5.90 7 6 5 183.08 9.43 7 6 6 4.31 3.26 7 6 7 188.37 9.56 7 6 8 28.70 4.83 7 6 9 594.82 16.56 7 6 10 156.24 8.87 7 6 11 12.27 3.20 7 6 12 14.58 3.28 7 6 13 26.45 4.55 7 6 14 13.52 3.30 7 6 15 -4.14 3.16 7 6 16 -4.67 2.47 7 6 17 -4.61 3.51 7 6 18 8.91 4.29 7 6 19 3.23 3.14 7 6 20 7.74 4.38 7 6 22 12.34 5.06 7 6 24 3.50 3.41 7 6 25 8.54 4.59 7 6 26 6.23 4.87 7 6 27 2.23 4.87 -7 -7 7 3.23 3.90 -7 -7 6 4.63 4.61 7 7 -4 62.42 8.01 7 7 -3 35.65 6.57 7 7 -2 3.33 4.50 7 7 -1 442.77 17.21 7 7 0 14.11 5.92 7 7 1 2024.51 35.98 7 7 2 155.42 9.81 7 7 3 155.78 9.68 7 7 4 7.26 3.19 7 7 5 58.04 6.32 7 7 6 64.72 6.05 7 7 7 2.83 2.82 7 7 8 228.54 10.73 7 7 9 0.58 2.59 7 7 10 109.65 7.56 7 7 11 9.10 3.26 7 7 12 5.26 3.71 7 7 13 7.95 3.90 7 7 14 38.84 5.05 7 7 15 60.74 6.75 7 7 16 4.79 3.20 7 7 17 -0.64 3.74 7 7 18 8.61 3.28 7 7 19 6.97 4.23 7 7 20 6.27 4.42 7 7 23 29.43 6.39 7 7 24 39.37 6.22 7 7 25 -1.90 4.40 7 7 26 19.73 5.69 -7 -8 8 19.94 5.91 -7 -8 7 570.64 20.12 -7 -8 6 5.26 4.45 -7 -8 5 138.99 10.76 7 8 -4 31.83 6.21 7 8 -3 202.42 13.02 7 8 -2 112.32 9.88 7 8 -1 -5.97 4.76 7 8 0 454.63 17.74 7 8 1 10.24 4.90 7 8 2 866.95 23.79 7 8 3 25.18 5.45 7 8 4 32.35 5.69 7 8 5 24.93 4.68 7 8 6 29.47 4.69 7 8 7 7.83 3.18 7 8 8 -0.32 2.58 7 8 9 7.10 3.17 7 8 10 12.85 3.64 7 8 11 30.50 4.60 7 8 12 26.13 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21.08 5.81 7 10 1 6.54 3.59 7 10 2 42.32 6.20 7 10 3 11.20 5.22 7 10 4 42.48 6.97 7 10 5 10.31 4.87 7 10 6 274.91 14.34 7 10 7 345.04 15.41 7 10 8 207.05 11.86 7 10 9 95.58 8.38 7 10 10 1.03 3.46 7 10 11 113.85 9.42 7 10 12 -1.69 4.09 7 10 13 -2.09 2.89 7 10 14 39.75 6.22 7 10 15 115.17 9.88 7 10 16 90.04 8.21 7 10 17 1.81 3.39 7 10 18 9.44 5.13 7 10 19 4.21 3.79 7 10 20 3.48 4.82 7 10 21 -2.22 3.63 7 10 22 3.01 5.82 7 10 23 -4.50 5.39 7 10 24 24.00 6.33 7 10 25 16.46 7.37 -7 -11 8 -0.02 5.03 -7 -11 7 13.13 5.60 -7 -11 6 69.70 8.72 -7 -11 5 -12.69 5.23 7 11 -3 2.15 3.39 7 11 -2 40.44 7.38 7 11 -1 97.60 9.88 7 11 0 255.52 14.23 7 11 1 87.04 8.27 7 11 2 15.49 5.84 7 11 3 62.66 7.50 7 11 4 2.65 3.74 7 11 5 21.59 6.22 7 11 6 9.73 4.52 7 11 7 909.49 25.83 7 11 8 239.66 13.29 7 11 9 153.98 11.35 7 11 10 10.21 5.16 7 11 11 0.55 3.23 7 11 12 41.10 6.01 7 11 13 14.47 5.40 7 11 14 -3.13 2.84 7 11 15 0.65 3.58 7 11 16 -4.18 4.64 7 11 17 7.15 4.26 7 11 18 -3.19 4.89 7 11 19 1.77 3.81 7 11 20 8.49 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9.52 9 8 11 69.92 8.28 9 8 12 24.72 5.07 9 8 13 23.89 5.85 9 8 14 0.81 4.15 9 8 15 12.67 4.17 9 8 16 0.17 3.09 9 8 17 16.76 5.34 9 8 18 3.00 4.92 9 8 19 -1.09 3.37 9 8 20 3.56 3.84 9 8 21 2.60 5.06 9 8 22 -0.65 5.23 9 8 23 0.80 4.98 9 8 24 2.95 5.14 9 8 25 4.78 5.76 9 9 -5 146.96 12.87 9 9 -4 7.99 5.94 9 9 -3 -3.17 5.15 9 9 -2 74.22 9.43 9 9 -1 -5.02 3.37 9 9 0 30.73 7.15 9 9 1 -0.55 3.07 9 9 2 2.80 4.95 9 9 3 8.93 4.22 9 9 4 33.47 6.99 9 9 5 56.26 7.71 9 9 6 6.26 3.85 9 9 7 53.87 7.77 9 9 8 -0.88 3.36 9 9 9 57.72 7.96 9 9 10 33.25 5.67 9 9 11 19.70 5.74 9 9 12 14.92 4.60 9 9 13 0.68 3.16 9 9 14 6.00 4.92 9 9 15 4.57 3.58 9 9 16 12.54 4.45 9 9 17 5.12 5.16 9 9 18 3.04 4.79 9 9 19 -0.88 3.70 9 9 20 3.08 3.82 9 9 21 -0.15 5.12 9 9 22 -5.16 4.96 9 9 23 29.25 7.70 9 9 24 0.32 3.95 9 9 25 8.01 4.69 9 10 -6 1.18 6.67 9 10 -5 -8.88 5.50 9 10 -4 3.05 6.21 9 10 -3 14.46 6.41 9 10 -2 29.23 6.95 9 10 -1 133.48 12.00 9 10 0 5.80 5.77 9 10 1 218.39 14.65 9 10 2 14.72 6.07 9 10 3 209.86 13.55 9 10 4 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5.56 10 -10 12 171.70 10.35 10 -10 13 14.42 4.55 10 -10 14 39.17 5.93 10 -10 15 -0.86 3.63 10 -10 16 2.58 4.00 10 -10 17 0.41 4.19 10 -10 18 -3.83 4.03 10 -10 19 -4.03 4.11 10 -9 -3 56.04 5.02 10 -9 -2 0.42 1.99 10 -9 -1 101.11 6.00 10 -9 0 9.04 2.51 10 -9 1 46.10 4.44 10 -9 2 -0.04 2.51 10 -9 3 23.14 3.55 10 -9 4 161.54 8.29 10 -9 5 16.40 3.22 10 -9 6 39.46 4.86 10 -9 7 0.39 1.96 10 -9 8 63.64 5.78 10 -9 9 18.13 3.65 10 -9 10 -0.34 3.10 10 -9 11 5.27 3.67 10 -9 12 5.81 3.07 10 -9 13 37.27 5.16 10 -9 14 0.40 3.58 10 -9 15 1.71 3.65 10 -9 16 -1.98 3.79 10 -9 17 1.85 4.25 10 -9 18 -1.29 2.98 10 -9 19 4.22 3.46 10 -9 20 7.78 4.77 10 -8 -3 -2.07 2.55 10 -8 -2 23.13 3.07 10 -8 -1 4.24 2.01 10 -8 0 54.13 4.46 10 -8 1 4.47 2.36 10 -8 2 5.94 2.50 10 -8 3 54.19 4.90 10 -8 4 197.80 8.89 10 -8 5 398.83 12.48 10 -8 6 18.71 3.24 10 -8 7 48.06 4.79 10 -8 8 -0.16 2.68 10 -8 9 29.79 4.26 10 -8 10 -1.99 1.98 10 -8 11 -1.93 2.93 10 -8 12 2.72 2.58 10 -8 13 -1.75 2.23 10 -8 14 -0.77 2.39 10 -8 15 -1.25 2.44 10 -8 16 8.54 3.40 10 -8 17 1.56 3.12 10 -8 18 44.45 6.49 10 -8 19 9.31 4.64 10 -8 20 -1.60 2.88 10 -8 21 7.01 4.67 10 -7 -2 77.26 4.70 10 -7 -1 26.61 3.29 10 -7 0 4.68 2.00 10 -7 1 95.55 5.46 10 -7 2 1.15 1.92 10 -7 3 7.89 2.05 10 -7 4 31.81 3.97 10 -7 5 82.49 5.74 10 -7 6 40.23 4.48 10 -7 7 1.54 1.85 10 -7 8 9.39 2.59 10 -7 9 1.54 2.89 10 -7 10 5.77 3.52 10 -7 11 -2.06 3.00 10 -7 12 11.26 3.18 10 -7 13 5.06 2.67 10 -7 14 19.17 3.82 10 -7 15 6.46 2.92 10 -7 16 -1.40 2.28 10 -7 17 90.49 7.97 10 -7 18 35.70 6.15 10 -7 19 90.43 7.73 10 -7 20 25.59 5.50 10 -7 21 0.85 2.81 10 -7 22 15.99 4.22 10 -6 -2 383.54 9.62 10 -6 -1 72.82 4.59 10 -6 0 9.82 2.20 10 -6 1 0.57 1.59 10 -6 2 103.83 5.65 10 -6 3 1.52 1.96 10 -6 4 7.10 2.26 10 -6 5 4.43 2.32 10 -6 6 2.49 2.49 10 -6 7 -1.62 1.55 10 -6 8 1.07 2.52 10 -6 9 80.54 6.36 10 -6 10 5.31 2.77 10 -6 11 266.91 11.19 10 -6 12 19.51 4.32 10 -6 13 8.53 3.42 10 -6 14 16.48 4.09 10 -6 15 2.99 2.68 10 -6 16 -0.42 2.42 10 -6 17 6.60 4.01 10 -6 18 168.22 10.03 10 -6 19 10.35 4.97 10 -6 20 62.58 6.74 10 -6 21 -3.03 3.80 10 -6 22 13.66 4.97 10 -5 -3 8.26 1.95 10 -5 -2 63.15 3.91 10 -5 -1 3.39 1.56 10 -5 0 2.62 1.77 10 -5 1 6.16 1.93 10 -5 2 1.41 1.93 10 -5 3 9.24 2.49 10 -5 4 1.87 2.08 10 -5 5 8.48 2.55 10 -5 6 23.41 3.12 10 -5 7 33.07 3.75 10 -5 8 3.00 2.59 10 -5 9 11.57 3.45 10 -5 10 390.59 13.44 10 -5 11 12.28 3.45 10 -5 12 235.31 10.65 10 -5 13 21.99 3.87 10 -5 14 19.76 4.25 10 -5 15 25.00 4.78 10 -5 16 24.68 4.16 10 -5 17 0.16 3.37 10 -5 18 1.86 2.82 10 -5 19 16.97 4.97 10 -5 20 -0.38 3.91 10 -5 21 -1.65 2.73 10 -5 22 1.35 3.14 10 -5 23 3.58 4.23 10 -4 -3 14.92 2.04 10 -4 -2 0.14 1.31 10 -4 -1 1.08 1.25 10 -4 0 2.71 1.67 10 -4 1 25.82 2.84 10 -4 2 312.09 9.00 10 -4 3 22.15 3.27 10 -4 4 686.79 15.17 10 -4 5 34.60 4.04 10 -4 6 4.32 2.04 10 -4 7 1.55 2.65 10 -4 8 2.59 2.74 10 -4 9 37.34 4.80 10 -4 10 40.19 4.79 10 -4 11 477.01 15.11 10 -4 12 11.32 4.38 10 -4 13 110.02 8.06 10 -4 14 -2.65 2.05 10 -4 15 6.02 3.82 10 -4 16 6.49 3.16 10 -4 17 -0.31 3.53 10 -4 18 2.52 2.97 10 -4 19 -0.72 2.74 10 -4 20 3.98 4.29 10 -4 21 -3.03 3.64 10 -4 22 2.70 3.91 10 -4 23 7.79 4.43 10 -3 -2 14.05 1.76 10 -3 -1 10.29 1.85 10 -3 0 55.82 3.53 10 -3 1 5.45 1.85 10 -3 2 133.45 6.32 10 -3 3 876.26 16.95 10 -3 4 72.60 5.42 10 -3 5 493.05 13.16 10 -3 6 5.26 2.05 10 -3 7 72.79 5.55 10 -3 8 68.49 5.39 10 -3 9 40.67 4.39 10 -3 10 0.78 2.06 10 -3 11 5.90 2.76 10 -3 12 14.72 4.13 10 -3 13 0.81 2.41 10 -3 14 3.62 3.39 10 -3 15 4.65 2.79 10 -3 16 7.36 3.89 10 -3 17 13.05 4.50 10 -3 18 -0.47 2.61 10 -3 19 1.81 2.84 10 -3 20 24.39 4.58 10 -3 21 18.34 5.16 10 -3 22 -3.42 3.71 10 -3 23 10.58 4.78 10 -3 24 24.48 4.86 10 -2 -2 0.73 1.34 10 -2 0 9.75 2.18 10 -2 1 21.46 2.62 10 -2 2 68.13 4.44 10 -2 3 172.23 7.17 10 -2 4 558.76 13.46 10 -2 5 19.78 3.44 10 -2 6 94.61 6.17 10 -2 7 2.72 1.85 10 -2 8 14.67 2.87 10 -2 9 -1.00 2.52 10 -2 10 -2.58 2.49 10 -2 11 2.09 2.11 10 -2 12 -1.84 2.74 10 -2 13 7.86 2.74 10 -2 14 -1.33 2.73 10 -2 15 25.77 4.39 10 -2 16 9.14 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15 12.27 3.94 10 0 16 11.31 4.03 10 0 17 19.17 4.69 10 0 18 0.22 2.61 10 0 19 1.76 2.63 10 0 20 -0.03 3.26 10 0 21 3.27 3.54 10 0 22 10.02 3.21 10 0 23 1.70 2.78 10 0 24 6.94 4.21 10 0 25 3.79 3.38 10 1 -2 10.51 2.77 10 1 -1 40.86 4.34 10 1 0 41.12 4.26 10 1 1 -0.01 2.44 10 1 2 33.20 4.50 10 1 3 2.09 2.97 10 1 4 1.83 2.02 10 1 5 63.95 5.85 10 1 6 75.35 6.18 10 1 7 97.34 6.97 10 1 8 0.68 3.19 10 1 9 115.98 7.97 10 1 10 10.84 3.98 10 1 11 57.40 5.35 10 1 12 0.41 2.17 10 1 13 49.57 5.10 10 1 14 65.49 6.17 10 1 15 55.07 5.91 10 1 16 50.87 5.22 10 1 17 4.27 3.53 10 1 18 24.55 4.76 10 1 19 -0.10 2.63 10 1 20 24.58 4.86 10 1 21 1.20 2.64 10 1 22 2.03 3.68 10 1 23 -1.76 3.39 10 1 24 1.50 2.72 10 1 25 6.18 4.27 10 2 -3 -1.53 2.32 10 2 -2 69.97 5.56 10 2 -1 3.84 2.95 10 2 0 1.33 3.01 10 2 1 247.61 10.56 10 2 2 12.64 4.05 10 2 3 671.07 17.76 10 2 4 34.48 5.03 10 2 5 32.11 5.08 10 2 6 12.87 4.22 10 2 7 16.44 3.96 10 2 8 51.38 6.38 10 2 9 0.24 2.41 10 2 10 8.76 2.96 10 2 11 -0.96 3.13 10 2 12 1.43 2.67 10 2 13 13.52 4.29 10 2 14 13.21 3.34 10 2 15 40.04 5.29 10 2 16 3.16 3.24 10 2 17 36.23 4.71 10 2 18 -0.07 3.47 10 2 19 20.28 3.97 10 2 20 4.26 3.67 10 2 21 1.97 2.78 10 2 22 -0.24 3.82 10 2 23 4.58 3.97 10 2 24 5.36 4.21 10 2 25 3.87 4.26 10 3 -2 42.88 5.22 10 3 -1 87.92 6.86 10 3 0 69.84 6.13 10 3 1 7.61 3.35 10 3 2 150.16 8.90 10 3 3 5.20 3.62 10 3 4 93.70 7.04 10 3 6 132.46 8.89 10 3 7 74.50 6.61 10 3 8 139.16 9.12 10 3 9 110.65 8.20 10 3 10 16.46 4.67 10 3 11 178.98 10.95 10 3 12 1.15 2.85 10 3 13 117.64 8.78 10 3 14 2.19 2.64 10 3 15 19.37 4.07 10 3 16 1.38 3.58 10 3 17 2.06 2.62 10 3 18 12.98 4.27 10 3 19 8.70 3.96 10 3 20 4.47 2.87 10 3 21 2.17 3.69 10 3 22 1.47 2.95 10 3 23 1.16 2.85 10 3 24 1.94 4.22 10 3 25 3.10 3.40 10 4 -3 -4.67 2.83 10 4 -2 -2.99 3.71 10 4 -1 9.05 4.10 10 4 0 60.25 6.35 10 4 1 14.61 4.29 10 4 2 10.27 4.06 10 4 3 -1.37 3.51 10 4 4 1.83 3.85 10 4 5 62.98 6.88 10 4 6 10.95 4.49 10 4 7 51.17 5.80 10 4 8 43.96 5.50 10 4 9 12.27 3.71 10 4 10 68.43 7.11 10 4 11 -0.61 3.90 10 4 12 17.24 4.34 10 4 13 8.21 3.79 10 4 14 2.87 3.20 10 4 15 3.12 4.17 10 4 16 9.83 4.18 10 4 17 1.59 2.85 10 4 18 16.43 4.11 10 4 19 11.89 4.66 10 4 20 7.16 3.99 10 4 21 0.34 2.63 10 4 22 0.01 2.66 10 4 23 8.65 4.40 10 4 24 15.72 4.26 10 4 25 0.01 3.13 10 5 -3 9.93 4.80 10 5 -2 2.48 3.73 10 5 -1 194.36 11.23 10 5 0 49.02 6.23 10 5 1 219.08 11.80 10 5 2 155.08 9.92 10 5 3 82.95 8.03 10 5 4 368.31 15.55 10 5 5 -0.30 4.05 10 5 6 224.03 11.95 10 5 7 6.32 3.31 10 5 8 18.77 4.35 10 5 9 4.83 3.33 10 5 10 9.02 3.57 10 5 11 18.16 4.39 10 5 12 0.42 3.11 10 5 13 -3.17 3.82 10 5 14 0.07 3.96 10 5 15 8.82 4.68 10 5 16 3.52 4.57 10 5 17 21.85 4.66 10 5 18 13.92 3.90 10 5 19 13.94 4.09 10 5 20 7.29 3.54 10 5 21 0.88 4.14 10 5 22 14.80 4.83 10 5 23 3.43 4.11 10 5 24 27.07 4.96 10 5 25 7.16 3.71 10 6 -3 34.07 7.13 10 6 -2 71.08 7.91 10 6 -1 -0.83 4.63 10 6 0 52.70 6.76 10 6 1 -1.81 3.64 10 6 2 0.99 4.10 10 6 3 2.09 4.28 10 6 4 -0.03 2.80 10 6 5 7.59 4.33 10 6 6 -1.60 4.00 10 6 7 5.94 3.40 10 6 8 1.09 3.04 10 6 9 -0.47 4.05 10 6 10 1.26 4.31 10 6 11 2.01 4.68 10 6 12 0.90 4.29 10 6 13 -0.39 3.93 10 6 14 2.79 4.35 10 6 15 -0.25 4.07 10 6 16 18.14 5.34 10 6 17 27.24 6.10 10 6 18 19.08 6.05 10 6 19 23.86 6.11 10 6 20 3.38 4.31 10 6 21 7.44 4.69 10 6 22 1.74 4.60 10 6 23 16.83 4.35 10 6 24 2.40 3.35 10 6 25 1.14 3.41 10 7 -4 18.31 5.88 10 7 -3 191.95 12.47 10 7 -2 7.45 5.34 10 7 -1 194.91 13.03 10 7 0 3.18 4.52 10 7 1 27.32 6.16 10 7 2 10.40 4.84 10 7 3 2.28 4.23 10 7 4 -0.48 4.16 10 7 5 1.60 3.27 10 7 6 2.24 4.41 10 7 7 4.61 4.54 10 7 8 25.32 5.23 10 7 9 -0.11 3.07 10 7 10 137.00 10.56 10 7 11 13.98 5.61 10 7 12 34.51 5.77 10 7 13 20.22 4.77 10 7 14 2.63 3.30 10 7 15 56.06 6.79 10 7 16 2.44 3.45 10 7 17 38.97 6.06 10 7 18 -0.67 3.39 10 7 19 -3.72 3.39 10 7 20 3.28 4.03 10 7 21 -1.72 3.27 10 7 22 1.50 3.44 10 7 23 5.36 4.06 10 7 24 6.89 4.17 10 7 25 3.62 3.75 10 8 -4 -2.61 5.83 10 8 -3 -0.44 5.14 10 8 -2 3.58 5.13 10 8 -1 4.95 5.17 10 8 0 13.51 6.36 10 8 1 -4.49 4.65 10 8 2 6.21 3.88 10 8 3 -0.30 4.49 10 8 4 11.08 4.56 10 8 5 10.64 5.48 10 8 6 8.48 5.33 10 8 7 -1.13 3.34 10 8 8 -3.25 3.11 10 8 9 94.11 9.46 10 8 10 12.63 4.53 10 8 11 48.80 6.73 10 8 12 11.43 4.38 10 8 13 -6.68 3.95 10 8 14 11.16 5.35 10 8 15 -1.87 4.57 10 8 16 8.14 3.93 10 8 17 9.38 4.28 10 8 18 17.93 4.91 10 8 19 7.97 4.48 10 8 21 11.98 5.14 10 8 22 -2.27 5.16 10 8 23 21.50 6.27 10 8 24 4.16 5.42 10 8 25 2.37 5.60 10 9 -4 -6.77 5.82 10 9 -3 -5.96 5.63 10 9 -2 5.31 6.29 10 9 -1 0.79 5.26 10 9 0 3.91 5.57 10 9 1 149.25 12.62 10 9 2 0.54 3.79 10 9 3 188.60 13.40 10 9 4 23.39 6.83 10 9 5 25.03 5.97 10 9 6 1.43 5.56 10 9 7 6.49 5.69 10 9 8 26.85 5.78 10 9 9 9.69 4.26 10 9 10 18.64 5.84 10 9 11 0.01 3.57 10 9 12 2.85 3.54 10 9 13 -4.22 3.08 10 9 14 0.63 4.94 10 9 15 5.52 5.31 10 9 16 12.82 4.66 10 9 17 -1.51 3.29 10 9 18 4.10 4.14 10 9 19 90.66 9.18 10 9 20 62.06 8.77 10 9 21 18.81 7.13 10 9 22 0.53 5.83 10 9 23 25.89 7.81 10 9 24 10.49 6.51 10 10 -4 -14.53 7.38 10 10 -3 1.91 6.90 10 10 -2 18.53 7.32 10 10 -1 1.73 3.95 10 10 0 1.17 3.86 10 10 1 -2.99 5.16 10 10 2 35.16 7.83 10 10 3 1.23 5.79 10 10 4 29.23 6.26 10 10 5 2.63 5.68 10 10 6 -4.74 5.20 10 10 7 15.19 5.29 10 10 8 -3.13 3.37 10 10 9 5.65 5.54 10 10 10 0.72 5.08 10 10 11 127.55 10.60 10 10 12 7.84 4.87 10 10 13 128.62 11.54 10 10 14 1.89 5.65 10 10 15 -4.65 3.29 10 10 16 19.52 5.30 10 10 17 1.65 3.99 10 10 18 8.26 5.89 10 10 19 3.03 5.82 10 10 20 51.44 8.89 10 10 21 -5.45 5.64 10 10 22 -1.68 4.50 10 10 23 8.35 5.24 10 10 24 5.50 5.39 10 11 -4 108.41 11.58 10 11 -3 -2.74 6.19 10 11 -2 21.34 7.56 10 11 -1 7.62 6.94 10 11 0 14.18 6.34 10 11 1 30.67 7.19 10 11 2 2.93 5.81 10 11 3 -1.64 5.59 10 11 4 -3.88 3.79 10 11 5 8.42 4.79 10 11 6 -4.10 5.29 10 11 7 37.33 7.77 10 11 8 10.20 6.29 10 11 9 10.10 4.74 10 11 10 26.51 6.14 10 11 11 5.43 6.29 10 11 12 171.76 12.86 10 11 13 10.92 5.60 10 11 14 4.26 4.46 10 11 15 -2.17 5.30 10 11 16 60.06 9.02 10 11 17 22.92 6.86 10 11 18 0.89 4.22 10 11 19 -3.98 4.21 10 11 20 0.12 4.47 10 11 21 -7.23 5.91 10 11 22 -8.24 5.94 10 11 23 -2.59 6.27 10 12 -4 -4.62 5.21 10 12 -3 3.44 5.88 10 12 -2 0.47 6.18 10 12 -1 10.26 6.52 10 12 0 0.13 4.21 10 12 1 1.22 4.05 10 12 2 22.86 6.09 10 12 3 21.35 6.40 10 12 4 355.95 18.67 10 12 5 12.56 7.62 10 12 6 194.48 14.30 10 12 7 0.02 5.83 10 12 8 5.92 5.88 10 12 9 19.96 5.96 10 12 10 -3.36 4.20 10 12 11 32.81 6.95 10 12 12 -2.23 6.13 10 12 13 73.74 9.68 10 12 14 -1.53 4.34 10 12 15 2.38 4.35 10 12 16 -1.02 5.71 10 12 17 -9.01 5.41 10 12 18 -4.02 5.77 10 12 19 -0.72 6.37 10 12 20 -3.14 4.30 10 12 21 1.88 4.99 10 12 22 10.94 7.37 10 13 -4 13.74 6.66 10 13 -3 4.67 4.51 10 13 -2 8.40 6.37 10 13 -1 0.76 5.84 10 13 0 24.84 6.41 10 13 1 5.60 4.54 10 13 2 -3.92 5.64 10 13 3 35.29 8.41 10 13 4 38.80 9.06 10 13 5 314.10 18.58 10 13 6 14.49 5.96 10 13 7 8.90 5.14 10 13 8 3.36 4.49 10 13 9 43.95 7.57 10 13 10 10.55 5.31 10 13 11 -4.56 5.89 10 13 12 -9.61 5.51 10 13 13 17.35 7.05 10 13 14 -1.25 4.26 10 13 15 1.04 4.66 10 13 16 -1.47 5.98 10 13 17 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9.84 6.17 10 18 9 7.78 5.84 10 18 10 3.91 4.38 10 18 11 1.22 4.18 10 18 12 -3.38 4.39 10 18 13 -2.39 6.28 10 19 4 13.64 4.72 10 19 5 0.37 4.40 10 19 6 1.37 3.58 10 19 7 1.08 5.08 10 19 8 1.23 3.87 11 -17 0 15.64 6.06 11 -17 1 10.54 5.66 11 -17 2 1.67 4.86 11 -17 3 3.75 4.78 11 -17 4 -1.34 3.24 11 -17 5 1.22 4.60 11 -16 0 2.52 3.29 11 -16 1 0.65 4.18 11 -16 2 1.72 4.14 11 -16 3 -0.65 3.05 11 -16 4 8.55 4.77 11 -16 5 3.31 4.74 11 -16 7 5.66 3.75 11 -16 8 4.31 3.64 11 -15 0 7.16 4.23 11 -15 1 4.85 3.95 11 -15 2 2.22 2.98 11 -15 3 -9.02 3.52 11 -15 4 -1.87 4.25 11 -15 5 7.68 4.52 11 -15 6 8.30 4.30 11 -15 7 0.60 2.92 11 -15 8 2.69 3.28 11 -15 9 0.48 3.18 11 -15 10 0.31 3.41 11 -15 11 1.10 4.49 11 -14 -1 14.56 4.54 11 -14 0 17.91 4.57 11 -14 1 5.02 3.85 11 -14 2 30.91 5.63 11 -14 3 -1.45 3.63 11 -14 5 9.11 4.61 11 -14 6 41.70 6.35 11 -14 7 35.69 5.55 11 -14 8 0.49 3.43 11 -14 9 4.75 3.96 11 -14 10 7.49 3.48 11 -14 11 5.50 3.33 11 -14 12 -2.71 4.03 11 -14 13 3.94 3.60 11 -13 -1 15.17 3.99 11 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11.23 4.90 11 -11 17 -6.15 4.08 11 -10 -1 23.63 3.65 11 -10 0 4.40 2.52 11 -10 1 -0.88 2.11 11 -10 2 -1.16 1.63 11 -10 3 -2.42 2.52 11 -10 4 3.78 3.28 11 -10 5 0.84 3.13 11 -10 6 1.61 2.32 11 -10 7 3.92 2.47 11 -10 8 34.48 5.15 11 -10 9 0.69 3.42 11 -10 10 9.39 3.37 11 -10 11 48.35 6.05 11 -10 12 111.07 9.06 11 -10 13 116.45 9.35 11 -10 14 1.06 3.05 11 -10 15 -0.19 2.83 11 -10 16 7.62 3.78 11 -10 17 22.26 4.91 11 -10 18 0.00 3.28 11 -9 -1 0.84 1.89 11 -9 0 1.23 2.28 11 -9 1 2.44 2.28 11 -9 2 30.51 3.79 11 -9 3 32.06 4.55 11 -9 4 231.94 10.23 11 -9 5 166.68 9.14 11 -9 6 36.78 4.64 11 -9 7 13.50 3.78 11 -9 8 -0.60 2.80 11 -9 9 12.57 3.94 11 -9 10 0.83 2.46 11 -9 11 45.80 6.06 11 -9 12 31.48 5.02 11 -9 13 83.58 8.16 11 -9 14 43.22 6.51 11 -9 15 2.02 2.93 11 -9 16 0.52 2.78 11 -9 17 0.87 3.95 11 -9 18 -2.13 4.17 11 -9 19 -0.70 3.16 11 -8 -1 4.05 2.09 11 -8 0 8.08 2.52 11 -8 1 47.35 4.56 11 -8 2 -0.92 2.05 11 -8 3 99.64 6.56 11 -8 4 45.40 4.77 11 -8 5 352.89 12.39 11 -8 6 114.71 7.64 11 -8 7 13.44 3.66 11 -8 8 14.31 3.78 11 -8 9 8.31 3.46 11 -8 10 45.90 5.40 11 -8 11 -1.07 3.34 11 -8 12 -0.58 2.50 11 -8 13 -0.74 3.62 11 -8 14 -4.67 3.49 11 -8 16 -1.57 3.45 11 -8 17 4.46 4.11 11 -8 18 -2.03 2.83 11 -8 19 0.98 4.31 11 -8 20 -6.85 4.06 11 -7 -1 52.38 4.24 11 -7 0 1.63 2.06 11 -7 1 8.71 2.52 11 -7 2 20.92 3.01 11 -7 3 2.38 2.28 11 -7 4 185.83 8.68 11 -7 5 41.32 4.88 11 -7 6 166.24 8.53 11 -7 7 25.50 3.81 11 -7 8 0.77 2.05 11 -7 9 1.55 2.07 11 -7 10 0.42 3.05 11 -7 11 -1.05 2.16 11 -7 12 -4.46 2.97 11 -7 13 -2.19 3.42 11 -7 14 3.73 3.86 11 -7 15 4.20 3.68 11 -7 16 5.78 4.00 11 -7 17 15.48 4.10 11 -7 18 83.96 8.07 11 -7 19 3.57 4.43 11 -7 20 19.91 5.34 11 -7 21 -1.29 2.90 11 -6 -1 23.14 3.00 11 -6 0 6.09 2.08 11 -6 1 28.39 3.21 11 -6 2 23.25 3.25 11 -6 3 25.67 3.39 11 -6 4 1.97 2.26 11 -6 5 6.24 2.83 11 -6 6 -0.89 1.75 11 -6 7 0.36 1.93 11 -6 8 0.75 2.01 11 -6 9 -1.42 2.67 11 -6 10 11.85 3.17 11 -6 11 -1.72 2.84 11 -6 12 2.25 3.38 11 -6 13 -6.88 3.21 11 -6 14 17.22 4.47 11 -6 15 3.60 3.62 11 -6 16 1.83 2.63 11 -6 17 4.08 3.08 11 -6 18 7.93 4.62 11 -6 19 49.12 6.23 11 -6 20 0.85 4.29 11 -6 22 0.11 3.03 11 -5 -1 137.29 5.93 11 -5 0 3.63 1.75 11 -5 1 2.45 1.95 11 -5 2 18.00 2.69 11 -5 3 10.83 2.61 11 -5 4 3.75 2.28 11 -5 5 -1.13 2.04 11 -5 6 4.66 2.00 11 -5 7 3.64 2.06 11 -5 8 1.86 2.63 11 -5 9 9.08 3.37 11 -5 10 68.65 6.43 11 -5 11 168.34 9.32 11 -5 12 31.56 4.63 11 -5 13 33.20 4.74 11 -5 14 4.67 3.75 11 -5 15 17.91 4.60 11 -5 16 4.77 2.90 11 -5 17 -2.63 3.48 11 -5 18 -0.80 2.79 11 -5 19 5.64 4.55 11 -5 20 -1.14 2.89 11 -5 21 0.50 3.06 11 -5 22 -2.95 3.64 11 -4 -1 0.44 1.59 11 -4 0 28.33 2.90 11 -4 1 0.93 1.64 11 -4 2 0.65 1.69 11 -4 3 27.14 3.38 11 -4 4 15.23 3.07 11 -4 5 -0.66 2.12 11 -4 6 -1.97 2.60 11 -4 7 83.84 6.61 11 -4 8 1.78 2.24 11 -4 9 4.40 3.28 11 -4 10 16.72 4.35 11 -4 11 31.56 5.40 11 -4 12 65.19 6.83 11 -4 13 -3.46 3.56 11 -4 14 4.82 3.09 11 -4 15 -2.87 3.41 11 -4 16 75.28 6.94 11 -4 17 10.54 4.38 11 -4 18 39.65 5.46 11 -4 19 8.49 4.90 11 -4 20 -3.07 4.07 11 -4 21 1.08 4.05 11 -4 22 -0.42 2.69 11 -4 23 -1.35 2.70 11 -3 -1 22.25 2.47 11 -3 0 0.23 1.59 11 -3 1 0.91 1.68 11 -3 2 42.28 4.08 11 -3 3 167.19 7.80 11 -3 4 237.46 9.52 11 -3 5 48.98 4.83 11 -3 6 20.67 3.67 11 -3 7 3.03 2.12 11 -3 8 29.19 4.30 11 -3 9 -4.31 2.58 11 -3 10 0.22 2.91 11 -3 11 -0.50 3.34 11 -3 12 -4.48 3.10 11 -3 13 2.43 2.68 11 -3 14 0.24 3.46 11 -3 15 11.96 3.59 11 -3 16 5.08 3.86 11 -3 17 10.12 4.19 11 -3 18 13.78 3.94 11 -3 19 3.28 3.24 11 -3 20 9.06 5.02 11 -3 21 -0.95 4.14 11 -3 22 1.00 4.18 11 -3 23 0.59 4.27 11 -2 -1 4.10 1.81 11 -2 0 86.30 4.90 11 -2 1 0.92 1.71 11 -2 2 3.43 1.95 11 -2 3 6.49 2.33 11 -2 4 68.06 5.13 11 -2 5 20.60 3.59 11 -2 6 2.35 2.51 11 -2 7 64.14 5.26 11 -2 8 0.25 1.90 11 -2 9 149.56 8.12 11 -2 10 10.56 2.84 11 -2 11 89.93 7.07 11 -2 12 36.95 4.58 11 -2 13 28.90 4.69 11 -2 14 44.04 5.03 11 -2 15 3.26 3.27 11 -2 16 2.87 3.45 11 -2 17 -1.72 2.29 11 -2 19 2.16 3.02 11 -2 20 3.76 3.38 11 -2 21 -0.75 3.01 11 -2 22 1.00 3.17 11 -2 23 3.36 3.51 11 -2 24 -3.66 4.22 11 -1 -1 2.36 1.67 11 -1 0 3.92 1.80 11 -1 1 113.99 6.11 11 -1 2 0.22 2.04 11 -1 3 23.17 3.57 11 -1 4 -2.41 2.36 11 -1 5 9.06 2.63 11 -1 6 19.68 3.81 11 -1 7 20.16 3.55 11 -1 8 36.35 4.56 11 -1 9 1.81 3.26 11 -1 10 22.07 3.91 11 -1 11 18.72 4.52 11 -1 12 26.63 4.35 11 -1 13 12.44 4.16 11 -1 14 0.67 3.36 11 -1 15 -2.99 3.03 11 -1 16 2.18 2.48 11 -1 17 0.47 2.39 11 -1 18 2.15 2.48 11 -1 19 7.07 3.12 11 -1 20 2.59 2.93 11 -1 21 5.49 4.21 11 -1 22 0.87 3.91 11 -1 23 0.40 4.14 11 0 -1 7.86 2.33 11 0 0 93.89 5.57 11 0 1 23.30 3.62 11 0 2 209.40 8.79 11 0 3 1.57 2.75 11 0 4 105.65 6.78 11 0 5 35.41 4.24 11 0 6 73.95 6.26 11 0 7 47.13 5.25 11 0 8 9.26 2.87 11 0 9 18.07 4.20 11 0 10 0.58 3.14 11 0 11 28.90 4.33 11 0 12 2.78 2.82 11 0 13 14.45 3.59 11 0 14 -1.49 2.30 11 0 15 5.19 3.05 11 0 16 1.03 2.68 11 0 17 7.14 3.17 11 0 18 14.55 3.69 11 0 19 1.72 3.72 11 0 20 12.65 4.51 11 0 21 -4.74 3.50 11 0 22 2.03 2.86 11 0 23 0.90 3.78 11 1 -1 17.17 3.38 11 1 0 35.82 4.43 11 1 1 42.23 4.94 11 1 2 3.11 2.73 11 1 3 54.08 5.48 11 1 4 -0.04 2.87 11 1 5 10.16 3.18 11 1 6 -4.95 2.92 11 1 7 -1.14 3.08 11 1 8 6.22 2.85 11 1 9 -0.18 2.21 11 1 10 -1.45 2.11 11 1 11 2.25 2.60 11 1 12 5.71 2.94 11 1 13 12.26 3.48 11 1 14 6.67 3.90 11 1 15 5.47 3.81 11 1 16 0.97 3.50 11 1 17 31.61 4.74 11 1 18 0.89 2.62 11 1 19 29.05 5.46 11 1 20 0.69 2.88 11 1 21 0.50 2.96 11 1 22 0.74 3.93 11 1 23 0.20 2.79 11 1 24 13.63 4.73 11 1 25 3.38 4.23 11 2 -1 102.05 7.13 11 2 0 49.81 5.32 11 2 1 63.42 6.58 11 2 2 11.59 3.91 11 2 3 -2.38 3.02 11 2 4 13.22 4.30 11 2 5 24.88 5.57 11 2 6 5.36 4.21 11 2 7 1.10 3.65 11 2 8 2.66 3.79 11 2 9 8.48 4.09 11 2 10 20.54 4.17 11 2 11 155.29 9.67 11 2 12 12.69 4.63 11 2 13 109.33 8.67 11 2 14 1.97 2.69 11 2 15 38.49 5.04 11 2 16 12.68 4.24 11 2 17 28.20 4.56 11 2 18 23.76 4.96 11 2 19 5.31 4.04 11 2 20 -1.96 2.64 11 2 21 0.73 4.03 11 2 22 0.13 3.07 11 2 23 -3.22 3.99 11 2 24 10.71 3.93 11 2 25 10.70 4.87 11 3 -1 4.86 3.25 11 3 0 9.08 3.70 11 3 1 6.54 3.63 11 3 2 7.64 3.62 11 3 3 -2.74 3.15 11 3 4 -2.33 3.62 11 3 5 8.18 4.53 11 3 6 1.29 3.00 11 3 7 9.11 4.36 11 3 8 0.98 4.07 11 3 9 14.66 4.22 11 3 10 32.50 6.30 11 3 11 9.58 3.87 11 3 12 15.45 5.13 11 3 13 1.20 2.92 11 3 14 3.32 4.04 11 3 15 1.40 3.08 11 3 16 24.05 5.29 11 3 17 13.18 3.74 11 3 18 2.58 3.67 11 3 19 8.94 3.53 11 3 20 13.33 4.79 11 3 21 50.66 6.02 11 3 22 1.77 4.27 11 3 23 -0.66 3.09 11 3 24 3.38 3.63 11 3 25 6.11 4.78 11 4 -2 0.62 3.38 11 4 -1 12.80 4.78 11 4 0 3.57 3.84 11 4 1 20.42 4.92 11 4 2 15.71 4.67 11 4 3 72.06 7.44 11 4 4 137.14 9.66 11 4 5 11.55 4.75 11 4 6 100.74 8.58 11 4 7 -1.21 2.71 11 4 8 81.58 8.21 11 4 9 7.51 3.56 11 4 10 84.74 8.00 11 4 11 10.78 5.15 11 4 12 3.25 3.63 11 4 13 22.97 6.16 11 4 14 7.13 3.77 11 4 15 3.44 3.21 11 4 16 -0.98 3.81 11 4 17 27.29 5.09 11 4 18 3.27 3.10 11 4 19 6.99 4.46 11 4 20 61.49 6.55 11 4 21 15.67 5.07 11 4 22 49.96 6.85 11 4 23 3.27 3.36 11 4 24 20.12 5.66 11 4 25 0.97 4.56 11 5 -2 4.88 4.97 11 5 -1 1.93 4.67 11 5 0 1.47 3.79 11 5 1 -0.41 3.82 11 5 2 27.90 5.79 11 5 3 23.78 5.62 11 5 4 66.41 7.81 11 5 5 34.55 6.10 11 5 6 5.68 3.53 11 5 7 8.01 4.66 11 5 8 -0.35 4.33 11 5 9 18.72 5.42 11 5 10 1.38 3.35 11 5 11 25.04 5.22 11 5 12 56.61 7.50 11 5 13 141.89 10.79 11 5 14 162.50 11.28 11 5 15 12.59 4.74 11 5 16 0.51 4.95 11 5 17 20.13 5.73 11 5 18 13.25 4.09 11 5 19 3.42 3.54 11 5 20 18.91 5.86 11 5 21 24.27 6.01 11 5 22 5.60 3.67 11 5 23 0.05 3.26 11 5 24 -2.38 4.60 11 5 25 1.03 4.64 11 6 -2 33.73 7.19 11 6 -1 67.26 8.50 11 6 0 9.09 5.59 11 6 1 68.13 8.03 11 6 2 1.39 4.42 11 6 3 47.67 7.03 11 6 4 -0.47 4.48 11 6 5 3.31 4.52 11 6 6 15.79 4.65 11 6 7 2.56 3.89 11 6 8 16.54 4.79 11 6 9 -2.97 3.14 11 6 10 86.12 8.45 11 6 11 5.63 3.90 11 6 12 36.12 6.66 11 6 13 109.57 10.04 11 6 14 36.69 7.02 11 6 15 30.41 5.87 11 6 16 8.63 4.42 11 6 17 63.91 8.00 11 6 18 1.49 5.23 11 6 19 12.55 5.65 11 6 20 -7.37 4.19 11 6 21 -0.43 3.69 11 6 22 -4.86 3.19 11 6 23 2.66 3.56 11 6 24 0.19 4.75 11 6 25 2.90 4.88 11 7 -2 -4.21 4.61 11 7 -1 0.76 4.75 11 7 0 6.27 5.13 11 7 1 -2.24 4.58 11 7 2 8.58 5.34 11 7 3 -2.66 4.48 11 7 4 184.07 12.76 11 7 5 108.47 10.05 11 7 6 349.13 17.23 11 7 7 230.28 13.82 11 7 8 4.44 4.25 11 7 9 2.69 4.04 11 7 10 -1.07 3.40 11 7 11 2.17 3.74 11 7 12 -1.50 3.59 11 7 13 57.27 7.34 11 7 14 21.75 5.40 11 7 15 1.54 5.35 11 7 16 -2.72 4.83 11 7 17 -3.07 4.80 11 7 19 0.27 5.71 11 7 20 12.04 6.34 11 7 21 -5.55 3.39 11 7 22 -0.49 3.86 11 7 23 9.13 4.68 11 7 24 1.67 3.54 11 8 -2 153.14 13.09 11 8 -1 13.33 6.51 11 8 0 2.96 5.64 11 8 1 80.61 9.47 11 8 2 2.40 5.24 11 8 3 13.04 6.30 11 8 4 1.31 5.53 11 8 5 215.73 13.87 11 8 6 110.20 10.06 11 8 7 93.27 9.48 11 8 8 16.52 6.73 11 8 9 12.51 6.03 11 8 10 88.52 9.66 11 8 11 -0.59 5.06 11 8 12 5.66 5.32 11 8 13 -8.64 4.96 11 8 14 -5.49 5.13 11 8 15 -3.46 5.06 11 8 16 6.93 5.78 11 8 17 -1.93 5.10 11 8 18 14.03 6.24 11 8 19 199.13 14.06 11 8 20 19.20 7.58 11 8 21 43.67 7.63 11 8 22 -3.56 3.69 11 8 23 9.94 4.67 11 8 24 10.69 4.91 11 9 -2 136.95 13.45 11 9 -1 389.72 20.70 11 9 0 129.26 12.56 11 9 1 1.50 5.51 11 9 2 39.18 8.00 11 9 3 2.41 5.57 11 9 4 2.42 6.01 11 9 5 -2.70 5.88 11 9 6 110.24 11.24 11 9 7 11.66 5.08 11 9 8 11.34 5.05 11 9 9 1.60 4.11 11 9 10 -5.94 3.45 11 9 11 33.21 7.44 11 9 12 2.32 5.99 11 9 13 63.80 9.34 11 9 14 -4.76 5.34 11 9 15 -7.24 5.18 11 9 16 7.85 5.96 11 9 17 1.84 5.44 11 9 18 71.93 9.62 11 9 19 42.92 8.40 11 9 20 270.57 16.42 11 9 21 9.06 7.03 11 9 22 7.13 7.21 11 9 23 20.99 7.87 11 9 24 2.78 5.98 11 10 -2 233.39 15.98 11 10 -1 27.28 8.21 11 10 0 76.06 10.57 11 10 1 4.37 6.18 11 10 2 25.66 7.38 11 10 3 42.92 8.35 11 10 4 4.15 4.61 11 10 5 4.06 4.77 11 10 6 -2.71 3.86 11 10 7 9.12 5.09 11 10 8 -3.66 3.79 11 10 9 0.55 5.57 11 10 10 50.03 8.55 11 10 11 46.24 9.02 11 10 12 349.30 18.73 11 10 13 11.95 7.22 11 10 14 24.10 7.72 11 10 15 -1.20 4.07 11 10 16 32.63 6.66 11 10 17 6.04 4.67 11 10 18 1.56 4.44 11 10 19 62.36 8.83 11 10 20 0.13 4.75 11 10 21 27.53 7.02 11 10 22 0.41 5.13 11 10 23 3.16 5.33 11 11 -2 -5.75 6.15 11 11 -1 78.64 10.42 11 11 0 15.62 6.89 11 11 1 19.08 7.41 11 11 2 25.65 7.98 11 11 3 49.22 9.12 11 11 4 127.82 12.54 11 11 5 45.59 9.02 11 11 6 81.43 10.97 11 11 7 -9.19 5.81 11 11 8 4.15 6.17 11 11 9 4.72 6.21 11 11 10 26.88 6.46 11 11 11 178.90 13.59 11 11 12 112.42 11.60 11 11 13 346.85 18.39 11 11 14 3.05 4.92 11 11 15 2.76 6.40 11 11 16 6.80 6.35 11 11 17 14.55 7.07 11 11 18 -1.53 6.21 11 11 19 -7.76 6.02 11 11 20 -12.64 5.95 11 11 21 -6.55 6.25 11 11 22 -2.59 6.57 11 12 -2 9.78 6.87 11 12 -1 6.46 6.49 11 12 0 18.41 7.04 11 12 1 -4.25 4.16 11 12 2 0.92 4.71 11 12 3 72.99 11.10 11 12 4 173.56 14.89 11 12 5 387.98 20.61 11 12 6 23.76 8.23 11 12 7 11.38 7.45 11 12 8 -2.41 6.13 11 12 9 51.84 9.43 11 12 10 0.04 6.45 11 12 11 17.61 7.62 11 12 12 53.93 8.49 11 12 13 7.47 5.75 11 12 14 11.40 5.55 11 12 15 5.75 5.20 11 12 16 13.52 6.11 11 12 17 -4.66 4.11 11 12 18 -2.08 6.36 11 12 19 -13.06 6.21 11 12 20 -10.90 6.03 11 12 21 -4.05 6.62 11 13 -2 31.95 8.92 11 13 -1 33.26 8.36 11 13 0 2.49 4.27 11 13 1 3.23 6.14 11 13 2 -3.48 6.56 11 13 3 106.35 12.81 11 13 4 192.78 15.90 11 13 5 223.83 15.57 11 13 6 261.19 16.55 11 13 7 8.59 5.74 11 13 8 -4.41 4.56 11 13 9 4.42 4.87 11 13 10 9.55 5.49 11 13 11 -0.55 4.51 11 13 12 1.65 4.65 11 13 13 -2.37 4.64 11 13 15 -1.90 4.52 11 13 16 -2.31 4.96 11 13 17 13.57 6.26 11 13 18 3.40 6.92 11 13 19 48.24 9.86 11 13 21 -7.65 6.53 11 14 -2 113.95 13.30 11 14 -1 36.87 9.26 11 14 0 1.16 6.52 11 14 1 6.17 6.31 11 14 2 64.11 9.91 11 14 3 -2.71 6.38 11 14 4 15.92 6.35 11 14 5 38.70 7.96 11 14 6 13.22 7.23 11 14 7 10.75 7.22 11 14 8 -3.04 6.10 11 14 9 6.43 7.13 11 14 10 1.28 6.63 11 14 11 -6.19 6.46 11 14 12 -11.82 6.28 11 14 13 -0.95 6.90 11 14 14 -4.67 6.87 11 14 15 1.24 7.55 11 14 16 -2.90 6.68 11 14 17 6.18 7.54 11 14 18 83.87 11.89 11 14 19 19.15 8.48 11 15 -2 150.29 13.73 11 15 -1 93.34 11.37 11 15 0 10.04 6.74 11 15 1 3.22 4.28 11 15 2 17.61 6.79 11 15 4 1.31 4.56 11 15 5 10.72 7.04 11 15 6 3.81 6.32 11 15 7 -2.33 6.04 11 15 8 -0.68 6.23 11 15 9 3.77 5.04 11 15 10 60.67 9.36 11 15 11 1.17 5.57 11 15 12 60.82 9.58 11 15 13 -5.55 4.99 11 15 14 -0.96 5.19 11 15 15 9.84 6.39 11 15 16 0.26 5.47 11 15 17 1.31 5.54 11 15 18 8.51 6.44 11 16 -2 3.06 5.77 11 16 -1 -1.29 4.09 11 16 0 -0.49 5.26 11 16 1 1.97 5.39 11 16 2 8.23 6.18 11 16 3 2.96 5.89 11 16 4 4.92 6.90 11 16 5 -0.77 4.89 11 16 7 -1.44 6.91 11 16 8 4.57 7.12 11 16 9 2.48 5.07 11 16 10 10.16 6.13 11 16 11 73.72 9.82 11 16 12 15.23 7.85 11 16 13 13.36 8.27 11 16 14 -2.63 6.90 11 16 15 16.12 7.91 11 16 16 -1.19 7.55 11 17 -1 1.45 5.44 11 17 0 1.15 5.19 11 17 1 39.31 7.35 11 17 2 8.94 4.74 11 17 3 55.51 8.72 11 17 4 9.27 5.48 11 17 5 29.98 8.72 11 17 6 -0.94 4.72 11 17 7 3.56 4.86 11 17 8 -0.07 6.35 11 17 9 -1.74 6.11 11 17 10 6.43 5.28 11 17 11 5.74 5.41 11 17 12 15.09 6.01 11 17 13 -10.51 6.13 11 17 14 -4.76 7.02 11 18 1 7.23 5.06 11 18 2 5.85 4.78 11 18 3 10.18 5.77 11 18 4 27.46 6.92 11 18 5 5.72 6.23 11 18 6 0.21 5.91 11 18 7 -0.72 5.87 11 18 8 9.96 5.18 11 18 9 1.32 5.98 11 18 10 4.17 6.25 11 18 11 0.46 6.60 12 -17 2 4.89 5.23 12 -16 2 5.97 4.78 12 -16 3 1.44 4.36 12 -16 4 0.08 3.10 12 -16 5 2.34 4.64 12 -16 6 3.29 3.56 12 -16 7 4.86 4.71 12 -15 1 2.49 3.06 12 -15 2 -1.02 3.93 12 -15 3 -5.52 3.54 12 -15 4 1.30 3.18 12 -15 5 0.37 4.09 12 -15 6 3.39 3.26 12 -15 7 6.21 4.66 12 -15 8 3.91 4.35 12 -15 9 4.17 4.63 12 -14 1 8.14 4.18 12 -14 2 2.03 3.65 12 -14 3 0.99 3.71 12 -14 4 4.10 3.17 12 -14 5 63.84 7.56 12 -14 6 4.50 3.37 12 -14 7 52.54 6.79 12 -14 8 2.75 3.92 12 -14 9 3.14 3.94 12 -14 10 -0.68 4.01 12 -14 11 0.43 3.03 12 -13 1 8.97 3.82 12 -13 2 8.39 3.71 12 -13 3 4.00 3.52 12 -13 4 7.06 3.28 12 -13 5 42.25 6.12 12 -13 6 102.57 8.57 12 -13 8 20.28 4.48 12 -13 9 1.48 2.88 12 -13 10 22.23 5.62 12 -13 11 12.61 5.30 12 -13 12 6.62 3.98 12 -13 13 1.80 4.81 12 -12 1 3.01 3.14 12 -12 2 2.26 3.00 12 -12 3 1.37 2.89 12 -12 4 1.73 3.12 12 -12 5 16.13 4.43 12 -12 6 18.67 4.88 12 -12 7 65.39 6.99 12 -12 8 -2.17 3.71 12 -12 9 5.56 4.33 12 -12 10 -1.77 2.98 12 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14 4.10 3.53 12 -4 15 -0.25 4.24 12 -4 16 -2.09 2.76 12 -4 17 3.81 4.36 12 -4 18 3.30 3.32 12 -4 19 8.79 4.70 12 -4 20 4.18 4.67 12 -4 21 -6.81 3.90 12 -4 22 -1.22 3.07 12 -3 0 30.87 3.23 12 -3 1 -0.33 2.23 12 -3 2 54.45 4.67 12 -3 3 5.87 2.55 12 -3 4 48.83 4.99 12 -3 5 10.53 2.74 12 -3 6 6.36 3.19 12 -3 7 6.38 3.27 12 -3 8 -0.18 2.12 12 -3 9 3.04 2.50 12 -3 10 2.78 2.66 12 -3 11 34.47 4.86 12 -3 12 1.93 2.72 12 -3 13 26.64 5.34 12 -3 14 14.65 4.25 12 -3 15 10.30 4.87 12 -3 16 29.79 5.11 12 -3 17 13.03 4.77 12 -3 18 47.72 6.80 12 -3 19 1.88 3.37 12 -3 20 5.09 3.68 12 -3 21 -1.01 4.64 12 -3 22 0.97 4.58 12 -3 23 1.75 4.63 12 -2 0 3.58 2.22 12 -2 1 7.72 2.34 12 -2 2 7.01 2.39 12 -2 3 11.18 2.67 12 -2 4 -0.74 2.14 12 -2 5 2.58 2.51 12 -2 6 7.43 3.06 12 -2 7 2.41 2.09 12 -2 8 -1.38 2.80 12 -2 9 -2.33 2.66 12 -2 10 5.59 2.58 12 -2 11 -0.25 2.21 12 -2 12 63.31 6.42 12 -2 13 0.64 2.50 12 -2 14 2.12 3.76 12 -2 15 -1.10 2.71 12 -2 16 0.03 2.67 12 -2 18 4.02 4.08 12 -2 19 3.51 4.38 12 -2 20 1.06 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12 1 1 90.43 6.87 12 1 2 57.34 6.15 12 1 3 29.90 4.73 12 1 4 33.13 5.13 12 1 5 0.34 3.35 12 1 6 27.19 5.10 12 1 7 16.11 4.86 12 1 8 25.82 4.50 12 1 9 0.23 3.65 12 1 10 45.17 6.10 12 1 11 68.13 7.07 12 1 12 10.71 4.43 12 1 13 24.05 5.33 12 1 14 -2.32 4.21 12 1 15 85.40 8.17 12 1 16 16.40 4.91 12 1 17 10.21 4.48 12 1 18 11.79 3.94 12 1 19 31.56 5.35 12 1 20 -0.68 4.42 12 1 21 -1.03 4.29 12 1 22 -3.01 2.79 12 1 23 0.09 2.94 12 1 24 6.84 4.47 12 2 0 -5.38 3.74 12 2 1 -5.43 3.97 12 2 2 19.01 4.81 12 2 3 18.40 4.80 12 2 4 3.88 4.05 12 2 5 139.44 10.31 12 2 6 34.69 6.05 12 2 7 669.07 20.78 12 2 8 19.64 5.32 12 2 9 62.80 7.37 12 2 10 5.53 4.61 12 2 11 40.74 6.51 12 2 12 27.85 5.89 12 2 13 -0.19 2.90 12 2 14 5.51 3.58 12 2 15 -2.80 4.17 12 2 16 2.16 4.12 12 2 17 -0.14 2.93 12 2 18 3.83 3.21 12 2 19 -3.17 3.99 12 2 20 8.50 4.06 12 2 21 16.81 4.68 12 2 22 -5.98 4.19 12 2 23 0.62 3.17 12 2 24 7.52 4.64 12 3 0 -2.20 3.76 12 3 1 22.22 5.76 12 3 2 -1.12 3.30 12 3 3 45.19 6.28 12 3 4 23.57 5.49 12 3 5 5.03 4.48 12 3 6 68.87 8.07 12 3 7 24.46 5.49 12 3 8 208.88 13.17 12 3 9 0.28 5.01 12 3 10 29.62 6.66 12 3 11 12.38 4.08 12 3 12 39.92 5.81 12 3 13 -1.29 4.34 12 3 14 -5.40 3.19 12 3 15 -3.56 3.11 12 3 16 -0.83 4.18 12 3 17 15.72 4.22 12 3 18 -4.11 3.63 12 3 19 18.26 4.47 12 3 20 76.85 8.23 12 3 21 41.79 6.91 12 3 22 67.82 7.83 12 3 23 0.23 4.43 12 3 24 14.17 5.44 12 4 1 3.44 5.30 12 4 2 15.62 5.76 12 4 3 2.62 4.14 12 4 4 63.50 7.51 12 4 5 11.51 4.23 12 4 6 1.25 4.71 12 4 7 41.53 7.25 12 4 8 0.49 3.79 12 4 9 18.85 6.05 12 4 10 -3.76 3.26 12 4 11 17.76 6.20 12 4 12 13.00 4.90 12 4 13 120.80 10.85 12 4 14 54.39 7.03 12 4 15 -0.12 4.95 12 4 16 8.15 4.09 12 4 17 -4.45 4.39 12 4 18 1.93 3.24 12 4 19 -0.63 4.45 12 4 20 134.29 9.78 12 4 21 104.33 9.45 12 4 22 46.43 6.42 12 4 23 13.59 5.32 12 4 24 -1.51 3.18 12 5 0 58.64 7.93 12 5 1 172.87 11.99 12 5 2 3.54 4.83 12 5 3 33.23 6.52 12 5 4 10.72 5.25 12 5 5 15.76 5.85 12 5 6 -2.20 3.32 12 5 7 -12.52 4.33 12 5 8 -7.50 4.78 12 5 9 0.25 3.86 12 5 10 23.90 6.44 12 5 11 5.77 4.13 12 5 12 199.73 13.33 12 5 13 160.04 12.15 12 5 14 211.31 14.13 12 5 15 99.94 10.90 12 5 16 4.20 3.86 12 5 17 33.80 5.75 12 5 18 4.67 4.91 12 5 19 -3.08 3.43 12 5 20 8.27 5.95 12 5 21 56.81 7.86 12 5 22 32.35 5.74 12 5 23 1.49 4.62 12 5 24 2.05 3.72 12 6 0 8.44 5.25 12 6 1 2.83 5.46 12 6 2 2.96 5.08 12 6 3 -2.00 4.52 12 6 4 85.21 9.55 12 6 5 16.77 6.46 12 6 6 236.40 15.03 12 6 7 59.41 9.05 12 6 8 -1.42 4.05 12 6 9 1.18 5.44 12 6 10 -4.46 4.64 12 6 11 19.83 5.45 12 6 12 5.34 4.57 12 6 13 476.74 20.25 12 6 14 93.53 9.81 12 6 15 132.67 11.50 12 6 16 8.49 6.18 12 6 17 1.39 5.84 12 6 18 34.83 6.26 12 6 19 -2.90 3.37 12 6 20 -4.13 5.14 12 6 21 -2.23 3.96 12 6 22 -1.11 3.54 12 6 23 0.42 4.92 12 6 24 -2.98 4.51 12 7 0 -5.84 4.87 12 7 1 6.03 5.74 12 7 2 1.71 5.19 12 7 3 0.02 4.84 12 7 4 2.70 5.71 12 7 5 483.02 21.78 12 7 6 55.69 9.41 12 7 7 334.86 17.77 12 7 8 12.56 5.23 12 7 9 10.60 6.30 12 7 10 111.35 11.00 12 7 11 9.11 6.19 12 7 12 -5.02 3.70 12 7 13 2.65 4.84 12 7 14 92.43 10.87 12 7 15 14.68 6.83 12 7 16 -0.21 5.47 12 7 17 1.99 4.40 12 7 18 6.56 5.09 12 7 19 0.30 6.47 12 7 20 -2.69 5.78 12 7 21 -6.37 5.14 12 7 22 -4.75 3.84 12 7 23 7.22 4.42 12 8 0 6.92 6.98 12 8 1 -7.77 5.45 12 8 2 8.75 6.30 12 8 3 2.25 4.26 12 8 4 70.94 9.92 12 8 5 9.90 6.66 12 8 6 761.55 27.32 12 8 7 86.87 11.10 12 8 8 180.38 13.95 12 8 9 9.63 5.26 12 8 10 -3.76 3.81 12 8 11 1.69 4.42 12 8 12 0.27 5.79 12 8 13 -7.52 5.91 12 8 15 -9.92 5.39 12 8 16 4.77 4.66 12 8 17 0.96 4.35 12 8 18 16.21 5.90 12 8 19 38.59 8.65 12 8 20 78.12 11.00 12 8 21 2.27 6.56 12 8 22 -2.35 5.55 12 8 23 3.15 4.57 12 9 0 317.70 18.78 12 9 1 0.28 4.88 12 9 2 34.69 8.39 12 9 3 61.81 9.82 12 9 4 -3.54 5.87 12 9 5 19.76 7.49 12 9 6 3.83 6.45 12 9 7 68.18 9.96 12 9 8 -1.84 4.41 12 9 9 6.83 4.95 12 9 10 1.73 4.47 12 9 11 -0.33 4.54 12 9 12 0.45 6.29 12 9 13 -8.97 5.84 12 9 14 -11.54 6.07 12 9 15 -11.05 5.35 12 9 16 21.29 6.99 12 9 17 -1.53 4.31 12 9 18 17.46 6.07 12 9 19 71.84 9.42 12 9 20 32.04 7.56 12 9 21 61.62 10.40 12 9 23 6.05 6.88 12 10 0 16.52 8.33 12 10 1 67.86 10.49 12 10 2 -0.02 4.45 12 10 3 15.80 7.27 12 10 4 1.89 6.24 12 10 5 0.89 6.26 12 10 6 -9.70 6.06 12 10 7 -15.40 6.03 12 10 8 0.51 6.60 12 10 9 0.86 4.85 12 10 10 7.99 5.55 12 10 11 23.89 6.56 12 10 12 124.66 12.05 12 10 13 73.91 9.72 12 10 14 23.18 6.62 12 10 15 -1.18 6.33 12 10 17 1.91 6.11 12 10 18 -8.34 6.10 12 10 19 30.03 8.37 12 10 20 19.12 8.14 12 10 21 3.67 7.35 12 10 22 -1.21 5.16 12 11 0 15.31 7.70 12 11 1 0.05 4.54 12 11 2 19.80 7.63 12 11 3 1.60 6.69 12 11 4 11.08 7.61 12 11 5 1.08 7.44 12 11 6 -0.84 5.33 12 11 7 27.34 7.55 12 11 8 -11.63 6.12 12 11 9 44.55 9.45 12 11 10 7.83 7.14 12 11 11 30.91 8.91 12 11 12 60.09 10.17 12 11 13 51.53 9.66 12 11 14 35.64 8.94 12 11 15 7.87 7.14 12 11 16 6.20 5.55 12 11 17 -2.14 4.64 12 11 18 12.06 5.78 12 11 19 -4.38 4.36 12 11 20 0.13 5.26 12 11 21 -4.47 4.95 12 12 0 -1.08 7.01 12 12 1 13.22 7.91 12 12 2 6.73 6.85 12 12 3 58.58 10.43 12 12 4 41.48 9.76 12 12 5 191.79 16.33 12 12 6 67.06 10.37 12 12 7 7.96 6.42 12 12 8 -8.89 6.96 12 12 9 -4.79 6.77 12 12 10 -7.57 6.29 12 12 11 -5.09 6.39 12 12 12 36.36 9.57 12 12 13 -0.17 6.85 12 12 14 1.94 5.24 12 12 15 -4.37 5.08 12 12 16 -0.73 4.97 12 12 17 14.06 6.45 12 12 18 1.88 5.15 12 12 19 -3.89 4.54 12 12 20 1.01 5.35 12 12 21 2.00 5.43 12 13 0 24.58 9.14 12 13 1 1.39 7.60 12 13 2 48.80 10.35 12 13 3 -0.37 4.81 12 13 4 69.61 11.15 12 13 5 31.47 9.07 12 13 6 46.28 10.07 12 13 7 5.95 6.01 12 13 8 8.16 5.76 12 13 9 47.08 9.72 12 13 10 4.12 7.14 12 13 11 38.13 8.96 12 13 12 -4.68 6.69 12 13 13 14.16 8.78 12 13 14 -15.95 6.51 12 13 15 11.60 6.59 12 13 16 -1.08 5.44 12 13 17 -2.56 4.97 12 13 18 -1.54 5.28 12 13 19 -6.31 5.08 12 13 20 1.21 5.43 12 14 0 -7.88 7.41 12 14 1 0.19 7.38 12 14 2 3.66 8.05 12 14 3 0.41 7.09 12 14 4 23.10 8.25 12 14 5 16.22 6.34 12 14 6 -2.39 6.22 12 14 7 -3.41 6.71 12 14 8 1.75 7.22 12 14 9 1.68 5.13 12 14 10 8.93 6.11 12 14 11 -10.32 4.34 12 14 12 -1.23 7.32 12 14 13 -1.66 7.75 12 14 14 4.63 8.47 12 14 15 9.06 8.47 12 14 16 -15.41 6.42 12 14 17 -9.63 7.06 12 14 18 -4.85 6.99 12 14 19 -5.83 5.46 12 15 0 -6.69 6.65 12 15 1 10.93 7.64 12 15 2 31.73 9.35 12 15 3 9.76 7.49 12 15 4 41.83 9.53 12 15 5 -1.42 4.84 12 15 6 63.44 10.59 12 15 7 -3.93 7.08 12 15 9 4.54 5.93 12 15 10 -6.43 7.29 12 15 11 -4.70 7.38 12 15 12 -7.97 6.99 12 15 13 -0.54 5.47 12 15 14 -3.02 5.58 12 15 15 6.65 6.44 12 15 16 -2.89 4.98 12 15 17 -6.49 7.23 12 16 0 -6.45 5.44 12 16 1 -4.45 6.36 12 16 2 -0.36 6.53 12 16 3 3.92 5.17 12 16 4 -9.74 6.34 12 16 5 -0.64 6.99 12 16 6 -6.23 6.59 12 16 7 4.12 7.61 12 16 8 2.21 5.85 12 16 9 -1.50 7.17 12 16 10 6.81 7.84 12 16 11 10.92 7.95 12 16 12 6.81 5.95 12 16 13 5.66 5.61 12 16 14 4.41 7.31 12 16 15 3.46 8.03 12 17 1 30.38 7.55 12 17 2 8.28 6.93 12 17 3 0.76 6.51 12 17 4 -0.32 4.81 12 17 5 -6.34 6.20 12 17 6 -4.68 4.42 12 17 7 -9.82 6.17 12 17 8 -1.41 6.74 12 17 9 -4.93 4.73 12 17 10 5.77 7.40 12 17 11 1.79 7.27 12 17 12 2.86 5.56 13 -16 4 6.87 3.88 13 -15 3 -1.57 4.15 13 -15 4 0.46 3.37 13 -15 5 2.47 4.43 13 -15 6 0.41 3.04 13 -15 7 0.44 4.71 13 -14 3 2.98 3.80 13 -14 4 0.84 2.76 13 -14 5 2.74 4.14 13 -14 7 2.65 4.15 13 -14 8 2.50 4.10 13 -14 9 0.03 3.98 13 -14 10 -2.15 4.19 13 -13 3 1.23 3.40 13 -13 4 10.31 4.02 13 -13 5 12.41 3.78 13 -13 6 28.17 5.52 13 -13 7 26.24 5.69 13 -13 8 5.29 3.45 13 -13 9 4.10 3.17 13 -13 10 -1.79 2.96 13 -13 11 5.03 4.99 13 -13 12 -2.88 4.33 13 -12 3 14.83 4.00 13 -12 4 0.13 3.16 13 -12 5 1.32 3.69 13 -12 6 -2.77 3.65 13 -12 7 3.53 4.60 13 -12 8 3.19 4.68 13 -12 9 -3.64 3.88 13 -12 10 17.89 5.58 13 -12 11 -0.16 3.20 13 -12 12 24.34 6.30 13 -12 13 -1.25 3.50 13 -12 14 3.08 5.17 13 -11 2 1.44 2.76 13 -11 3 -0.65 2.06 13 -11 4 14.90 3.47 13 -11 5 2.76 3.64 13 -11 7 3.00 4.31 13 -11 8 -1.57 2.92 13 -11 9 -1.81 2.72 13 -11 11 0.69 4.04 13 -11 12 -3.12 2.77 13 -11 13 7.09 4.91 13 -11 14 4.75 4.76 13 -11 15 -1.86 3.25 13 -10 2 0.30 2.80 13 -10 3 43.05 5.34 13 -10 4 2.32 3.25 13 -10 5 64.38 6.68 13 -10 6 4.97 2.88 13 -10 7 34.61 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25 4.99 0.00 0 1 25 -1.08 0.00 1 1 25 -1.89 0.00 2 1 25 -3.88 0.00 3 1 25 -1.85 0.00 4 1 25 5.18 0.00 5 1 25 5.24 0.00 6 1 25 0.85 0.00 7 1 25 -2.82 0.00 8 1 25 -2.34 0.00 9 1 25 -1.21 0.00 10 1 25 -2.61 0.00 -5 2 25 2.43 0.00 -4 2 25 -0.89 0.00 -3 2 25 -2.42 0.00 -2 2 25 1.41 0.00 -1 2 25 1.75 0.00 0 2 25 3.42 0.00 1 2 25 -0.41 0.00 2 2 25 -2.13 0.00 3 2 25 -5.28 0.00 4 2 25 -1.68 0.00 5 2 25 2.61 0.00 6 2 25 2.73 0.00 7 2 25 1.29 0.00 8 2 25 0.54 0.00 9 2 25 0.62 0.00 10 2 25 -1.21 0.00 -6 3 25 -2.07 0.00 -5 3 25 4.93 0.00 -4 3 25 -0.31 0.00 -3 3 25 0.38 0.00 -2 3 25 -4.37 0.00 -1 3 25 3.65 0.00 0 3 25 -3.13 0.00 1 3 25 2.18 0.00 2 3 25 3.38 0.00 3 3 25 2.70 0.00 4 3 25 -4.77 0.00 5 3 25 -2.05 0.00 6 3 25 0.00 0.00 7 3 25 -1.14 0.00 8 3 25 2.63 0.00 9 3 25 -1.30 0.00 10 3 25 2.03 0.00 -6 4 25 1.73 0.00 -5 4 25 0.32 0.00 -4 4 25 -0.54 0.00 -3 4 25 -1.30 0.00 -2 4 25 -3.30 0.00 -1 4 25 -1.58 0.00 0 4 25 1.16 0.00 1 4 25 -8.18 0.00 2 4 25 0.20 0.00 3 4 25 4.40 0.00 4 4 25 2.83 0.00 5 4 25 1.40 0.00 6 4 25 -0.20 0.00 7 4 25 0.59 0.00 8 4 25 -3.80 0.00 9 4 25 0.96 0.00 10 4 25 -1.61 0.00 -6 5 25 4.94 0.00 -5 5 25 -0.13 0.00 -4 5 25 1.25 0.00 -3 5 25 -1.30 0.00 -2 5 25 1.03 0.00 -1 5 25 -3.21 0.00 0 5 25 4.07 0.00 1 5 25 -0.11 0.00 2 5 25 -5.03 0.00 3 5 25 -2.63 0.00 4 5 25 4.92 0.00 5 5 25 0.44 0.00 6 5 25 8.97 0.00 7 5 25 0.34 0.00 8 5 25 -1.81 0.00 9 5 25 -4.37 0.00 10 5 25 1.09 0.00 -5 6 25 -0.54 0.00 -4 6 25 -3.07 0.00 -3 6 25 -0.90 0.00 -2 6 25 2.94 0.00 -1 6 25 -2.71 0.00 0 6 25 -0.85 0.00 1 6 25 0.96 0.00 2 6 25 -1.71 0.00 3 6 25 -3.45 0.00 4 6 25 -1.15 0.00 5 6 25 -0.04 0.00 6 6 25 1.00 0.00 7 6 25 7.45 0.00 8 6 25 -0.03 0.00 9 6 25 -3.64 0.00 10 6 25 -1.01 0.00 -5 7 25 0.70 0.00 -4 7 25 -1.40 0.00 -3 7 25 -1.45 0.00 -2 7 25 0.62 0.00 -1 7 25 4.06 0.00 0 7 25 -1.49 0.00 1 7 25 0.08 0.00 2 7 25 -1.27 0.00 3 7 25 0.79 0.00 4 7 25 0.28 0.00 5 7 25 1.58 0.00 6 7 25 -5.74 0.00 7 7 25 1.13 0.00 8 7 25 1.68 0.00 9 7 25 0.39 0.00 -4 8 25 0.71 0.00 -3 8 25 1.45 0.00 -2 8 25 0.73 0.00 -1 8 25 1.25 0.00 0 8 25 2.45 0.00 1 8 25 1.02 0.00 2 8 25 -3.37 0.00 3 8 25 0.41 0.00 4 8 25 -2.19 0.00 5 8 25 5.01 0.00 6 8 25 -0.89 0.00 7 8 25 -1.51 0.00 8 8 25 -2.25 0.00 9 8 25 0.11 0.00 -4 9 25 3.00 0.00 -3 9 25 1.72 0.00 -2 9 25 -2.04 0.00 -1 9 25 0.91 0.00 0 9 25 -2.81 0.00 1 9 25 0.93 0.00 2 9 25 0.30 0.00 3 9 25 -3.48 0.00 4 9 25 -1.12 0.00 5 9 25 -5.08 0.00 6 9 25 9.75 0.00 7 9 25 0.33 0.00 8 9 25 2.84 0.00 -3 10 25 3.53 0.00 -2 10 25 3.85 0.00 -1 10 25 -0.02 0.00 0 10 25 0.50 0.00 1 10 25 -2.31 0.00 2 10 25 -0.84 0.00 3 10 25 -2.67 0.00 4 10 25 -3.94 0.00 5 10 25 -6.65 0.00 6 10 25 0.01 0.00 7 10 25 4.91 0.00 -1 11 25 1.02 0.00 0 11 25 0.16 0.00 1 11 25 -1.04 0.00 2 11 25 2.61 0.00 3 11 25 0.37 0.00 4 11 25 -2.46 0.00 5 11 25 -0.28 0.00 6 11 25 -4.89 0.00 2 12 25 -0.55 0.00 0 0 0 0.00 0.00 # SQUEEZE RESULTS (Version = 260918) # Note: Data are Listed for all Voids in the P1 Unit Cell # i.e. Centre of Gravity, Solvent Accessible Volume, # Recovered number of Electrons in the Void and # Details about the Squeezed Material loop_ _platon_squeeze_void_nr _platon_squeeze_void_average_x _platon_squeeze_void_average_y _platon_squeeze_void_average_z _platon_squeeze_void_volume _platon_squeeze_void_count_electrons _platon_squeeze_void_content 1 0.000 0.500 0.500 39 0 ' ' 2 0.197 0.757 0.918 74 21 ' ' 3 0.500 -0.500 0.500 578 205 ' ' 4 0.391 0.428 0.028 12 1 ' ' 5 0.609 0.572 0.972 12 1 ' ' 6 0.803 0.242 0.082 74 21 ' ' # Missing Reflections Below sin(th)/lambda = 0.25 loop_ _platon_missing_refln_index_h _platon_missing_refln_index_k _platon_missing_refln_index_l _platon_missing_refln_theta 1 0 0 1.307 -1 1 0 1.829 0 1 0 1.290 1 1 0 1.844 0 -1 1 1.769 -1 0 1 1.734 0 0 1 0.995 1 0 1 1.545 -1 1 1 2.042 0 1 1 1.476 0 0 2 1.989 0 1 2 2.162 -1 4 4 6.151 -4 5 4 8.960 -1 7 5 9.674 -3 5 6 9.175 _platon_squeeze_void_probe_radius 1.20 _platon_squeeze_details ) TITL 221122e in P-1 CELL 15.6938 16.0627 20.9830 79.33 83.15 89.21 SPGR P-1 # Solvent Accessible Volume = 789 # Electrons Found in S.A.V. = 248 # Note: Atoms in Void are Labelled as Cxxx and Qxxx for all Others C101 0.514 0.433 0.435 ! 5.24 eA-3 C102 0.488 0.366 0.449 ! 5.21 eA-3 C103 0.823 0.944 0.407 ! 5.10 eA-3 Q104 0.533 0.503 0.401 ! 4.82 eA-3 C105 0.811 0.911 0.378 ! 4.65 eA-3 C106 0.815 0.015 0.441 ! 4.32 eA-3 C107 0.399 0.757 0.405 ! 4.31 eA-3 Q108 0.125 0.396 0.279 ! 4.21 eA-3 C109 0.251 0.812 0.416 ! 4.06 eA-3 Q110 0.658 0.740 0.300 ! 3.97 eA-3 C111 0.324 0.771 0.436 ! 3.81 eA-3 C112 0.339 0.783 0.409 ! 3.71 eA-3 Q113 0.989 0.251 0.459 ! 3.63 eA-3 C114 0.795 0.235 0.084 ! 3.57 eA-3 Q115 0.096 0.189 0.178 ! 3.57 eA-3 Q116 0.871 0.079 0.407 ! 3.46 eA-3 C117 0.837 0.988 0.440 ! 3.39 eA-3 C118 0.894 0.267 0.089 ! 3.30 eA-3 Q119 0.935 0.200 0.312 ! 3.26 eA-3 Q120 0.265 0.327 0.221 ! 3.22 eA-3 Q121 0.286 0.373 0.162 ! 3.18 eA-3 Q122 0.345 0.186 0.108 ! 3.14 eA-3 Q123 0.357 0.186 0.298 ! 3.08 eA-3 Q124 0.938 0.890 0.357 ! 3.06 eA-3 Q125 0.978 0.140 0.233 ! 3.03 eA-3 Q126 0.297 0.999 0.407 ! 3.02 eA-3 Q127 0.106 0.344 0.360 ! 3.01 eA-3 C128 0.754 0.220 0.065 ! 2.98 eA-3 Q129 0.942 0.104 0.293 ! 2.97 eA-3 C130 0.223 0.846 0.408 ! 2.96 eA-3 Q131 1.003 0.149 0.433 ! 2.95 eA-3 Q132 0.245 0.655 0.273 ! 2.93 eA-3 Q133 0.154 0.078 0.202 ! 2.92 eA-3 Q134 0.016 0.239 0.282 ! 2.91 eA-3 Q135 0.032 0.190 0.378 ! 2.90 eA-3 Q136 0.652 0.562 0.383 ! 2.89 eA-3 Q137 0.214 0.079 0.157 ! 2.89 eA-3 C138 0.512 0.376 0.424 ! 2.88 eA-3 Q139 0.373 0.299 0.326 ! 2.87 eA-3 Q140 0.203 0.360 0.050 ! 2.86 eA-3 Q141 0.063 0.328 0.147 ! 2.85 eA-3 C142 0.220 0.800 0.387 ! 2.84 eA-3 Q143 0.041 0.297 0.196 ! 2.82 eA-3 Q144 0.062 0.221 0.108 ! 2.79 eA-3 C145 0.855 0.902 0.434 ! 2.76 eA-3 Q146 0.410 0.235 0.252 ! 2.75 eA-3 Q147 0.123 0.098 0.377 ! 2.75 eA-3 Q148 0.964 0.161 0.402 ! 2.71 eA-3 Q149 0.093 0.996 0.327 ! 2.71 eA-3 Q150 0.124 0.266 0.082 ! 2.71 eA-3 Q151 0.186 0.971 0.080 ! 2.70 eA-3 Q152 0.328 0.149 0.326 ! 2.67 eA-3 Q153 0.168 0.383 0.342 ! 2.66 eA-3 Q154 0.780 0.873 0.440 ! 2.65 eA-3 Q155 0.876 0.471 0.483 ! 2.65 eA-3 Q156 0.099 0.326 0.219 ! 2.65 eA-3 Q157 0.830 0.280 0.108 ! 2.64 eA-3 Q158 0.174 0.240 0.143 ! 2.64 eA-3 Q159 0.390 0.350 0.477 ! 2.63 eA-3 Q160 0.861 0.418 0.501 ! 2.63 eA-3 Q161 0.835 0.871 0.391 ! 2.62 eA-3 Q162 0.046 0.306 0.355 ! 2.62 eA-3 Q163 0.279 0.390 0.434 ! 2.62 eA-3 Q164 0.248 1.003 0.183 ! 2.61 eA-3 Q165 0.306 0.972 0.316 ! 2.59 eA-3 Q166 0.184 0.209 0.415 ! 2.59 eA-3 Q167 0.301 0.149 0.451 ! 2.58 eA-3 Q168 0.075 0.456 0.252 ! 2.57 eA-3 Q169 0.300 0.126 0.201 ! 2.56 eA-3 Q170 0.747 0.284 0.048 ! 2.56 eA-3 Q171 0.950 0.638 0.292 ! 2.55 eA-3 Q172 0.634 0.730 0.256 ! 2.55 eA-3 C173 0.829 0.099 0.451 ! 2.53 eA-3 Q174 0.285 0.088 0.231 ! 2.51 eA-3 C175 0.527 0.247 0.453 ! 2.50 eA-3 Q176 0.300 0.256 0.171 ! 2.48 eA-3 Q177 0.158 0.286 0.139 ! 2.48 eA-3 C178 0.177 0.742 0.419 ! 2.48 eA-3 Q179 0.250 0.013 0.373 ! 2.48 eA-3 Q180 0.829 0.146 0.112 ! 2.48 eA-3 Q181 0.129 0.132 0.107 ! 2.48 eA-3 Q182 0.486 0.280 0.429 ! 2.47 eA-3 Q183 0.299 0.139 0.158 ! 2.47 eA-3 Q184 0.314 0.232 0.193 ! 2.46 eA-3 Q185 0.702 0.096 0.497 ! 2.46 eA-3 Q186 0.221 0.044 0.277 ! 2.45 eA-3 Q187 0.045 0.059 0.405 ! 2.45 eA-3 Q188 0.126 0.247 0.122 ! 2.44 eA-3 Q189 0.760 0.270 0.129 ! 2.44 eA-3 Q190 0.265 0.974 0.201 ! 2.44 eA-3 C191 0.875 0.209 0.100 ! 2.43 eA-3 C192 0.234 0.732 0.451 ! 2.42 eA-3 Q193 0.011 0.623 0.468 ! 2.42 eA-3 Q194 0.621 0.517 0.436 ! 2.42 eA-3 Q195 0.319 0.380 0.202 ! 2.41 eA-3 Q196 0.281 0.093 0.432 ! 2.41 eA-3 Q197 0.761 0.483 0.205 ! 2.40 eA-3 Q198 0.018 0.976 0.220 ! 2.40 eA-3 Q199 0.249 0.095 0.351 ! 2.40 eA-3 ) ; _shelx_fab_checksum 90025 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 W1 W 0.11475(8) 0.41095(8) 0.32991(6) 0.0328(3) Uani 1 1 d . U . . . W2 W 0.23777(9) 0.26248(9) 0.42788(6) 0.0379(3) Uani 1 1 d . U . . . W3 W 0.30138(8) 0.07194(9) 0.37681(6) 0.0352(3) Uani 1 1 d . U . . . W4 W 0.23331(8) 0.02278(8) 0.23226(6) 0.0326(3) Uani 1 1 d . U . . . W5 W 0.11084(8) 0.16955(8) 0.13566(5) 0.0312(3) Uani 1 1 d . U . . . W6 W 0.04863(8) 0.36259(8) 0.18607(5) 0.0319(3) Uani 1 1 d . U . . . W7 W 0.26504(8) 0.41012(8) 0.19165(6) 0.0348(3) Uani 1 1 d . U . . . W8 W 0.39104(8) 0.26460(9) 0.29041(6) 0.0393(3) Uani 1 1 d . U . . . W9 W 0.32763(8) 0.21504(9) 0.14497(5) 0.0338(3) Uani 1 1 d . U . . . W10 W 0.01862(8) 0.21822(8) 0.41853(5) 0.0304(3) Uani 1 1 d . U . . . W11 W 0.08151(8) 0.02521(8) 0.37141(5) 0.0292(3) Uani 1 1 d . U . . . W12 W -0.04300(7) 0.16769(8) 0.27413(6) 0.0291(3) Uani 1 1 d . U . . . Nd1 Nd 0.67965(9) 0.71438(10) 0.26893(6) 0.0235(3) Uani 1 1 d . U . . . O1 O 0.146(2) 0.2606(18) 0.3419(11) 0.040(3) Uani 0.437(15) 1 d D U P A 1 O2 O 0.194(2) 0.1204(9) 0.3069(15) 0.040(3) Uani 0.437(15) 1 d D U P A 1 O3 O 0.0998(15) 0.224(2) 0.2366(13) 0.038(3) Uani 0.437(15) 1 d D U P A 1 O4 O 0.2578(13) 0.2619(19) 0.2411(13) 0.041(3) Uani 0.437(15) 1 d D U P A 1 O1' O 0.0915(11) 0.1705(15) 0.3217(11) 0.039(3) Uani 0.563(15) 1 d D U P A 2 O2' O 0.2016(16) 0.1734(15) 0.2207(9) 0.039(3) Uani 0.563(15) 1 d D U P A 2 O3' O 0.2500(12) 0.2075(17) 0.3258(11) 0.040(3) Uani 0.563(15) 1 d D U P A 2 O4' O 0.1558(17) 0.3130(8) 0.2573(12) 0.038(3) Uani 0.563(15) 1 d D U P A 2 O5 O 0.1980(14) 0.3664(14) 0.3884(10) 0.046(3) Uani 1 1 d . U . . . O6 O 0.2690(14) 0.1474(14) 0.4344(10) 0.048(3) Uani 1 1 d . U . . . O7 O 0.3021(13) 0.0288(14) 0.3009(10) 0.043(3) Uani 1 1 d . U . . . O8 O 0.1538(14) 0.0661(14) 0.1709(10) 0.046(3) Uani 1 1 d . U . . . O9 O 0.0822(14) 0.2827(14) 0.1322(10) 0.045(3) Uani 1 1 d . U . . . O10 O 0.0452(13) 0.4096(14) 0.2604(10) 0.042(3) Uani 1 1 d . U . . . O11 O 0.2087(14) 0.4499(14) 0.2633(10) 0.045(3) Uani 1 1 d . U . . . O12 O 0.3472(14) 0.2928(14) 0.3681(10) 0.049(3) Uani 1 1 d . U . . . O13 O 0.3893(14) 0.1548(15) 0.3332(10) 0.049(3) Uani 1 1 d . U . . . O14 O 0.3169(14) 0.1036(14) 0.1780(10) 0.046(3) Uani 1 1 d . U . . . O15 O 0.2262(14) 0.2092(14) 0.1077(10) 0.048(3) Uani 1 1 d . U . . . O16 O 0.1609(14) 0.4124(14) 0.1588(10) 0.045(3) Uani 1 1 d . U . . . O17 O 0.3494(14) 0.3645(14) 0.2470(10) 0.046(3) Uani 1 1 d . U . . . O18 O 0.3973(14) 0.2281(15) 0.2121(10) 0.047(3) Uani 1 1 d . U . . . O19 O 0.3035(14) 0.3326(14) 0.1393(10) 0.046(3) Uani 1 1 d . U . . . O20 O 0.0300(14) 0.3283(14) 0.3804(10) 0.046(3) Uani 1 1 d . U . . . O21 O 0.1243(14) 0.2244(14) 0.4511(10) 0.046(3) Uani 1 1 d . U . . . O22 O 0.1868(14) 0.0303(14) 0.4019(10) 0.044(3) Uani 1 1 d . U . . . O23 O 0.1405(13) -0.0115(14) 0.2958(10) 0.043(3) Uani 1 1 d . U . . . O24 O 0.0110(14) 0.1393(14) 0.1997(10) 0.047(3) Uani 1 1 d . U . . . O25 O -0.0347(14) 0.2800(14) 0.2338(10) 0.045(3) Uani 1 1 d . U . . . O26 O 0.0442(14) 0.0980(14) 0.4252(10) 0.043(3) Uani 1 1 d . U . . . O27 O -0.0095(14) 0.0644(14) 0.3193(10) 0.042(3) Uani 1 1 d . U . . . O28 O -0.0559(13) 0.2038(14) 0.3532(10) 0.042(3) Uani 1 1 d . U . . . O29 O 0.0839(15) 0.4999(14) 0.3535(12) 0.053(5) Uani 1 1 d . U . . . O30 O 0.2643(15) 0.2871(13) 0.4968(10) 0.042(5) Uani 1 1 d . U . . . O31 O 0.3546(14) 0.0024(16) 0.4226(11) 0.054(5) Uani 1 1 d . U . . . O32 O 0.2672(13) -0.0642(14) 0.2089(11) 0.046(5) Uani 1 1 d . U . . . O33 O 0.0807(14) 0.1490(13) 0.0665(9) 0.039(5) Uani 1 1 d . U . . . O34 O -0.0129(14) 0.4253(14) 0.1415(10) 0.045(5) Uani 1 1 d . U . . . O35 O 0.3051(17) 0.5011(14) 0.1491(12) 0.058(5) Uani 1 1 d . U . . . O36 O 0.4958(15) 0.2863(17) 0.2941(12) 0.061(5) Uani 1 1 d . U . . . O37 O 0.4001(13) 0.2204(14) 0.0807(9) 0.040(5) Uani 1 1 d . U . . . O38 O -0.0539(13) 0.2218(14) 0.4832(9) 0.040(5) Uani 1 1 d . U . . . O39 O 0.0455(15) -0.0662(14) 0.4136(11) 0.048(5) Uani 1 1 d . U . . . O40 O -0.1437(15) 0.1455(15) 0.2694(11) 0.053(5) Uani 1 1 d . U . . . O41 O 0.6994(14) 0.8225(14) 0.1718(10) 0.042(3) Uani 1 1 d . U . . . O42 O 0.8351(14) 0.8936(13) 0.1071(9) 0.057(4) Uani 1 1 d D U . . . O43 O 0.6882(12) 0.9119(12) 0.0690(8) 0.047(4) Uani 1 1 d D U . . . O44 O 0.7011(13) 0.6273(13) 0.1854(9) 0.039(3) Uani 1 1 d . U . . . O45 O 0.7806(12) 0.5668(11) 0.0990(8) 0.045(4) Uani 1 1 d D U . . . O46 O 0.6191(13) 0.5697(11) 0.1057(8) 0.048(4) Uani 1 1 d D U . . . O47 O 0.8331(14) 0.7189(14) 0.2391(10) 0.044(3) Uani 1 1 d . U . . . O48 O 0.9559(11) 0.7020(12) 0.1593(10) 0.050(4) Uani 1 1 d D U . . . O49 O 0.9777(14) 0.6838(12) 0.2778(8) 0.052(4) Uani 1 1 d D U . . . O50 O 0.7184(13) 0.5821(13) 0.3272(9) 0.037(3) Uani 1 1 d . U . . . O51 O 0.7660(13) 0.4565(12) 0.4115(9) 0.050(4) Uani 1 1 d D U . . . O52 O 0.7262(14) 0.4359(9) 0.3062(8) 0.043(4) Uani 1 1 d D U . . . O53 O 0.5413(13) 0.7109(13) 0.2331(10) 0.040(3) Uani 1 1 d . U . . . O54 O 0.4700(11) 0.7248(13) 0.1339(8) 0.045(3) Uani 1 1 d D U . . . O55 O 0.3813(13) 0.7246(10) 0.2414(9) 0.045(4) Uani 1 1 d D U . . . O56 O 0.6148(13) 0.8430(13) 0.2942(9) 0.037(3) Uani 1 1 d . U . . . O57 O 0.5296(13) 0.9537(11) 0.3422(8) 0.040(4) Uani 1 1 d D U . . . O58 O 0.6067(13) 0.9862(10) 0.2296(9) 0.042(3) Uani 1 1 d D U . . . O59 O 0.7437(14) 0.7512(14) 0.3646(9) 0.044(5) Uani 1 1 d . U . . . H59A H 0.718538 0.729886 0.402259 0.053 Uiso 1 1 d R U . . . H59B H 0.795077 0.734946 0.355809 0.053 Uiso 1 1 d R U . . . O60 O 0.5725(14) 0.6686(15) 0.3706(10) 0.049(5) Uani 1 1 d . U . . . H60A H 0.527453 0.649441 0.358638 0.073 Uiso 1 1 d R U . . . H60C H 0.559473 0.711501 0.388298 0.073 Uiso 1 1 d R U . . . P1 P 0.1745(4) 0.2166(4) 0.2816(3) 0.0145(10) Uani 1 1 d D U . . . P2 P 0.7469(6) 0.8505(6) 0.1073(4) 0.0402(18) Uani 1 1 d . U . . . P4 P 0.9133(5) 0.6730(5) 0.2313(4) 0.0370(17) Uani 1 1 d . U . . . P5 P 0.7684(5) 0.5007(5) 0.3383(4) 0.0369(17) Uani 1 1 d . U . . . P6 P 0.4695(5) 0.7497(5) 0.2011(4) 0.0313(16) Uani 1 1 d . U . . . P3 P 0.6996(5) 0.6161(5) 0.1174(4) 0.0331(16) Uani 1 1 d . U . . . P7 P 0.5597(5) 0.9169(5) 0.2809(4) 0.0311(16) Uani 1 1 d . U . . . C1 C 0.7761(5) 0.7702(5) 0.0649(3) 0.042(4) Uani 1 1 d DG U . . . H1A H 0.799312 0.794188 0.020480 0.050 Uiso 1 1 calc R U . . . H1B H 0.820208 0.735954 0.085484 0.050 Uiso 1 1 calc R U . . . C2 C 0.6978(5) 0.7145(5) 0.0642(3) 0.044(4) Uani 1 1 d DG U . . . H2A H 0.695793 0.704899 0.020070 0.053 Uiso 1 1 calc R U . . . H2B H 0.646141 0.744391 0.076522 0.053 Uiso 1 1 calc R U . . . C3 C 0.8449(6) 0.9715(5) 0.1380(5) 0.066(5) Uani 1 1 d DG U . . . H3 H 0.797928 1.011561 0.130278 0.079 Uiso 1 1 calc R U . . . C4 C 0.9318(7) 1.0101(6) 0.1061(5) 0.108(12) Uani 1 1 d DG U . . . H4A H 0.928737 1.031651 0.060589 0.162 Uiso 1 1 calc R U . . . H4B H 0.945990 1.055490 0.127084 0.162 Uiso 1 1 calc R U . . . H4C H 0.975223 0.967416 0.110569 0.162 Uiso 1 1 calc R U . . . C5 C 0.8458(6) 0.9361(5) 0.2106(5) 0.083(8) Uani 1 1 d DG U . . . H5A H 0.851843 0.981780 0.233468 0.124 Uiso 1 1 calc R U . . . H5B H 0.793041 0.906102 0.227621 0.124 Uiso 1 1 calc R U . . . H5C H 0.893141 0.898007 0.216418 0.124 Uiso 1 1 calc R U . . . C6 C 0.7001(7) 0.9440(6) -0.0017(4) 0.055(5) Uani 1 1 d DG U . . . H6 H 0.723406 0.898551 -0.023857 0.066 Uiso 1 1 calc R U . . . C7 C 0.7651(7) 1.0172(6) -0.0160(5) 0.076(8) Uani 1 1 d DG U . . . H7A H 0.773608 1.038925 -0.062082 0.114 Uiso 1 1 calc R U . . . H7B H 0.743769 1.061409 0.006663 0.114 Uiso 1 1 calc R U . . . H7C H 0.818703 0.997235 -0.001382 0.114 Uiso 1 1 calc R U . . . C8 C 0.6128(7) 0.9693(6) -0.0239(5) 0.078(10) Uani 1 1 d DG U . . . H8A H 0.619635 0.990472 -0.070167 0.117 Uiso 1 1 calc R U . . . H8B H 0.575283 0.920792 -0.014160 0.117 Uiso 1 1 calc R U . . . H8C H 0.588601 1.012638 -0.001504 0.117 Uiso 1 1 calc R U . . . C9 C 0.8040(6) 0.5436(5) 0.0326(4) 0.052(5) Uani 1 1 d DG U . . . H9 H 0.765527 0.570938 0.001602 0.063 Uiso 1 1 calc R U . . . C10 C 0.8969(6) 0.5736(6) 0.0106(4) 0.088(10) Uani 1 1 d DG U . . . H10A H 0.915059 0.560367 -0.031690 0.132 Uiso 1 1 calc R U . . . H10B H 0.900408 0.633742 0.008271 0.132 Uiso 1 1 calc R U . . . H10C H 0.933327 0.545540 0.041382 0.132 Uiso 1 1 calc R U . . . C11 C 0.7952(7) 0.4471(6) 0.0438(4) 0.085(8) Uani 1 1 d DG U . . . H11A H 0.809282 0.428084 0.003078 0.128 Uiso 1 1 calc R U . . . H11B H 0.833558 0.421798 0.074142 0.128 Uiso 1 1 calc R U . . . H11C H 0.737221 0.430761 0.061208 0.128 Uiso 1 1 calc R U . . . C12 C 0.5905(6) 0.4866(5) 0.1433(4) 0.051(5) Uani 1 1 d DG U . . . H12 H 0.640898 0.453591 0.155698 0.061 Uiso 1 1 calc R U . . . C13 C 0.5338(5) 0.4991(5) 0.2053(4) 0.065(6) Uani 1 1 d DG U . . . H13A H 0.506521 0.553280 0.197709 0.097 Uiso 1 1 calc R U . . . H13B H 0.568471 0.496535 0.240352 0.097 Uiso 1 1 calc R U . . . H13C H 0.490802 0.455185 0.216840 0.097 Uiso 1 1 calc DR U . . . C14 C 0.5427(6) 0.4400(6) 0.1010(5) 0.085(10) Uani 1 1 d DG U . . . H14A H 0.523887 0.385528 0.125496 0.127 Uiso 1 1 calc R U . . . H14B H 0.493829 0.472464 0.087892 0.127 Uiso 1 1 calc R U . . . H14C H 0.580340 0.432679 0.062870 0.127 Uiso 1 1 calc R U . . . C15 C 0.9003(5) 0.5603(5) 0.2392(4) 0.045(4) Uani 1 1 d DG U . . . H15A H 0.854843 0.549480 0.214246 0.054 Uiso 1 1 calc R U . . . H15B H 0.952906 0.537348 0.220367 0.054 Uiso 1 1 calc R U . . . C16 C 0.8790(5) 0.5138(5) 0.3095(4) 0.045(4) Uani 1 1 d DG U . . . H16A H 0.904060 0.547296 0.336703 0.054 Uiso 1 1 d DR U . . . H16B H 0.906649 0.458981 0.315371 0.054 Uiso 1 1 d R U . . . C17 C 1.0475(5) 0.7170(6) 0.1376(5) 0.057(5) Uani 1 1 d DG U . . . H17 H 1.074400 0.737286 0.171769 0.068 Uiso 1 1 calc R U . . . C18 C 1.0886(5) 0.6335(7) 0.1263(5) 0.079(8) Uani 1 1 d DG U . . . H18A H 1.148742 0.642416 0.112001 0.119 Uiso 1 1 calc R U . . . H18B H 1.081138 0.592686 0.166239 0.119 Uiso 1 1 calc R U . . . H18C H 1.061733 0.612754 0.093414 0.119 Uiso 1 1 calc R U . . . C19 C 1.0563(5) 0.7855(6) 0.0758(5) 0.104(11) Uani 1 1 d DG U . . . H19A H 1.115995 0.796306 0.060722 0.155 Uiso 1 1 calc R U . . . H19B H 1.028820 0.766456 0.042539 0.155 Uiso 1 1 calc R U . . . H19C H 1.029604 0.836533 0.085478 0.155 Uiso 1 1 calc R U . . . C20 C 0.9761(6) 0.7451(6) 0.3188(5) 0.052(5) Uani 1 1 d DG U . . . H20 H 0.921754 0.775616 0.316168 0.063 Uiso 1 1 calc R U . . . C21 C 1.0489(6) 0.8094(6) 0.2939(5) 0.081(9) Uani 1 1 d DG U . . . H21A H 1.047359 0.850557 0.321923 0.121 Uiso 1 1 calc R U . . . H21B H 1.102972 0.780699 0.294034 0.121 Uiso 1 1 calc R U . . . H21C H 1.042181 0.837408 0.250292 0.121 Uiso 1 1 calc R U . . . C22 C 0.9790(7) 0.7025(6) 0.3898(5) 0.086(9) Uani 1 1 d DG U . . . H22A H 1.016253 0.734243 0.409676 0.129 Uiso 1 1 calc R U . . . H22B H 1.000371 0.645918 0.391348 0.129 Uiso 1 1 calc DR U . . . H22C H 0.922310 0.700434 0.412934 0.129 Uiso 1 1 calc R U . . . C23 C 0.7878(7) 0.4949(6) 0.4666(4) 0.048(5) Uani 1 1 d DG U . . . H23 H 0.834225 0.463635 0.487547 0.057 Uiso 1 1 calc R U . . . C24 C 0.8142(7) 0.5875(6) 0.4401(4) 0.092(8) Uani 1 1 d DG U . . . H24A H 0.785684 0.608676 0.402416 0.138 Uiso 1 1 calc R U . . . H24B H 0.875187 0.591103 0.428142 0.138 Uiso 1 1 calc DR U . . . H24C H 0.798206 0.620768 0.473164 0.138 Uiso 1 1 calc R U . . . C25 C 0.7060(8) 0.4920(7) 0.5151(4) 0.078(9) Uani 1 1 d DG U . . . H25A H 0.717667 0.516424 0.551656 0.117 Uiso 1 1 calc R U . . . H25B H 0.661562 0.523535 0.493899 0.117 Uiso 1 1 calc R U . . . H25C H 0.687535 0.434226 0.530206 0.117 Uiso 1 1 calc R U . . . C26 C 0.7615(7) 0.3482(5) 0.3031(5) 0.047(5) Uani 1 1 d DG U . . . H26 H 0.822195 0.345058 0.310066 0.057 Uiso 1 1 calc R U . . . C27 C 0.7497(7) 0.3354(5) 0.2343(5) 0.061(8) Uani 1 1 d DG U . . . H27A H 0.770810 0.280656 0.228296 0.091 Uiso 1 1 calc R U . . . H27B H 0.689920 0.339012 0.228643 0.091 Uiso 1 1 calc R U . . . H27C H 0.781115 0.378497 0.202761 0.091 Uiso 1 1 calc R U . . . C28 C 0.7070(8) 0.2870(5) 0.3562(5) 0.068(8) Uani 1 1 d DG U . . . H28A H 0.726937 0.230241 0.356239 0.102 Uiso 1 1 calc R U . . . H28B H 0.711614 0.301718 0.397978 0.102 Uiso 1 1 calc R U . . . H28C H 0.648103 0.290608 0.347824 0.102 Uiso 1 1 calc R U . . . C29 C 0.4689(5) 0.8583(6) 0.1911(5) 0.042(4) Uani 1 1 d DG U . . . H29A H 0.520795 0.879949 0.163436 0.050 Uiso 1 1 calc R U . . . H29B H 0.420685 0.878991 0.167851 0.050 Uiso 1 1 calc R U . . . C30 C 0.4632(6) 0.8957(6) 0.2533(5) 0.039(4) Uani 1 1 d DG U . . . H30A H 0.429879 0.856927 0.287948 0.046 Uiso 1 1 calc R U . . . H30B H 0.431394 0.948190 0.246090 0.046 Uiso 1 1 calc R U . . . C31 C 0.4239(6) 0.7435(7) 0.0824(5) 0.051(5) Uani 1 1 d DG U . . . H31 H 0.447888 0.797941 0.058419 0.062 Uiso 1 1 calc R U . . . C32 C 0.4403(9) 0.6842(10) 0.0332(7) 0.076(8) Uani 1 1 d DG U . . . H32A H 0.405746 0.701015 -0.001722 0.114 Uiso 1 1 calc R U . . . H32B H 0.499842 0.687039 0.015872 0.114 Uiso 1 1 calc R U . . . H32C H 0.425604 0.627157 0.054552 0.114 Uiso 1 1 calc R U . . . C33 C 0.3289(7) 0.7616(9) 0.0978(7) 0.076(7) Uani 1 1 d DG U . . . H33A H 0.322154 0.818192 0.106229 0.115 Uiso 1 1 calc R U . . . H33B H 0.305142 0.722004 0.135588 0.115 Uiso 1 1 calc DR U . . . H33C H 0.299427 0.755979 0.061220 0.115 Uiso 1 1 calc R U . . . C34 C 0.3355(9) 0.6393(8) 0.2577(7) 0.050(5) Uani 1 1 d DG U . . . H34 H 0.273262 0.644539 0.267966 0.060 Uiso 1 1 calc R U . . . C35 C 0.3597(9) 0.5992(8) 0.1967(7) 0.079(6) Uani 1 1 d DG U . . . H35A H 0.397086 0.637098 0.165072 0.118 Uiso 1 1 calc R U . . . H35B H 0.308663 0.589023 0.178163 0.118 Uiso 1 1 calc DR U . . . H35C H 0.388539 0.546580 0.208867 0.118 Uiso 1 1 calc DR U . . . C36 C 0.3770(12) 0.5863(8) 0.3142(7) 0.068(7) Uani 1 1 d DG U . . . H36A H 0.349758 0.531521 0.326103 0.101 Uiso 1 1 calc R U . . . H36B H 0.436977 0.579665 0.300778 0.101 Uiso 1 1 calc R U . . . H36C H 0.370249 0.614359 0.351041 0.101 Uiso 1 1 calc R U . . . C37 C 0.5928(10) 0.9623(8) 0.3899(6) 0.042(5) Uani 1 1 d DG U . . . H37 H 0.651967 0.963206 0.368694 0.050 Uiso 1 1 calc R U . . . C38 C 0.5767(12) 0.8851(9) 0.4448(6) 0.063(8) Uani 1 1 d DG U . . . H38A H 0.615135 0.887012 0.476862 0.095 Uiso 1 1 calc R U . . . H38B H 0.518484 0.885604 0.464931 0.095 Uiso 1 1 calc R U . . . H38C H 0.586365 0.834322 0.427161 0.095 Uiso 1 1 calc R U . . . C39 C 0.5706(11) 1.0464(9) 0.4124(7) 0.057(8) Uani 1 1 d DG U . . . H39A H 0.608663 1.055766 0.442995 0.086 Uiso 1 1 calc R U . . . H39B H 0.576903 1.091860 0.375310 0.086 Uiso 1 1 calc R U . . . H39C H 0.512463 1.044146 0.432908 0.086 Uiso 1 1 calc R U . . . C40 C 0.5722(10) 1.0727(7) 0.2134(6) 0.041(5) Uani 1 1 d DG U . . . H40 H 0.518572 1.078406 0.241320 0.050 Uiso 1 1 calc R U . . . C41 C 0.6409(11) 1.1328(8) 0.2251(7) 0.062(8) Uani 1 1 d DG U . . . H41A H 0.621469 1.190190 0.215172 0.094 Uiso 1 1 calc R U . . . H41B H 0.651420 1.119664 0.269957 0.094 Uiso 1 1 calc R U . . . H41C H 0.692959 1.126390 0.197421 0.094 Uiso 1 1 calc R U . . . C42 C 0.5572(11) 1.0904(8) 0.1415(6) 0.059(7) Uani 1 1 d DG U . . . H42A H 0.534848 1.146417 0.130503 0.088 Uiso 1 1 calc R U . . . H42B H 0.610582 1.085960 0.114788 0.088 Uiso 1 1 calc R U . . . H42C H 0.516911 1.049778 0.134153 0.088 Uiso 1 1 calc R U . . . 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 W1 0.0375(7) 0.0303(7) 0.0339(6) -0.0145(5) -0.0040(5) -0.0035(6) W2 0.0473(8) 0.0472(8) 0.0220(6) -0.0121(6) -0.0051(5) -0.0139(6) W3 0.0351(7) 0.0444(8) 0.0250(6) -0.0043(5) -0.0034(5) 0.0076(6) W4 0.0302(7) 0.0346(7) 0.0355(7) -0.0155(5) -0.0008(5) 0.0034(5) W5 0.0406(7) 0.0365(7) 0.0180(5) -0.0103(5) 0.0002(5) -0.0075(6) W6 0.0353(7) 0.0348(7) 0.0228(6) -0.0022(5) 0.0019(5) 0.0053(6) W7 0.0322(7) 0.0340(7) 0.0348(7) -0.0008(5) 0.0033(5) -0.0178(6) W8 0.0213(6) 0.0550(9) 0.0429(7) -0.0141(6) 0.0008(5) -0.0150(6) W9 0.0230(6) 0.0527(8) 0.0237(6) -0.0091(6) 0.0086(5) -0.0051(6) W10 0.0273(6) 0.0438(7) 0.0190(5) -0.0094(5) 0.0078(5) -0.0053(5) W11 0.0294(7) 0.0291(6) 0.0266(6) -0.0014(5) 0.0026(5) -0.0088(5) W12 0.0176(6) 0.0376(7) 0.0327(6) -0.0130(5) 0.0055(5) -0.0084(5) Nd1 0.0215(8) 0.0291(8) 0.0203(7) -0.0084(6) 0.0017(6) -0.0027(6) O1 0.037(5) 0.045(5) 0.036(5) -0.006(4) 0.003(4) -0.010(5) O2 0.037(5) 0.046(5) 0.035(5) -0.006(5) 0.003(5) -0.006(5) O3 0.035(5) 0.043(5) 0.034(5) -0.006(5) 0.005(5) -0.008(5) O4 0.036(5) 0.046(5) 0.038(5) -0.007(5) 0.005(5) -0.008(5) O1' 0.035(5) 0.045(5) 0.034(5) -0.006(5) 0.005(5) -0.005(5) O2' 0.034(5) 0.045(5) 0.035(5) -0.004(5) 0.005(5) -0.009(5) O3' 0.037(5) 0.045(5) 0.036(5) -0.007(5) 0.002(5) -0.009(5) O4' 0.036(5) 0.043(5) 0.034(5) -0.007(5) 0.003(5) -0.008(5) O5 0.044(5) 0.046(5) 0.045(5) -0.002(5) 0.002(5) -0.010(5) O6 0.045(5) 0.050(5) 0.042(5) -0.004(5) 0.012(5) -0.009(5) O7 0.034(5) 0.053(5) 0.039(5) -0.009(5) 0.004(5) -0.008(5) O8 0.040(5) 0.048(5) 0.045(5) -0.002(5) 0.002(5) -0.007(5) O9 0.044(5) 0.043(5) 0.040(5) -0.004(5) 0.017(5) -0.008(5) O10 0.038(5) 0.049(5) 0.037(5) -0.007(5) 0.005(5) -0.011(5) O11 0.044(5) 0.051(5) 0.041(5) -0.012(5) 0.002(5) -0.007(5) O12 0.047(5) 0.050(5) 0.047(5) -0.009(5) 0.009(5) -0.011(5) O13 0.045(5) 0.052(5) 0.046(5) -0.009(5) 0.011(5) -0.012(5) O14 0.038(5) 0.052(5) 0.046(5) -0.002(5) 0.002(5) -0.011(5) O15 0.044(5) 0.051(5) 0.044(5) 0.002(5) -0.003(5) -0.007(5) O16 0.041(5) 0.052(5) 0.040(5) -0.008(5) 0.005(5) -0.010(5) O17 0.044(5) 0.049(5) 0.044(5) -0.014(5) 0.005(5) -0.004(5) O18 0.039(5) 0.054(5) 0.046(5) -0.005(5) 0.002(5) -0.006(5) O19 0.042(5) 0.049(5) 0.043(5) -0.005(5) 0.000(5) -0.005(5) O20 0.040(5) 0.048(5) 0.045(5) -0.001(5) -0.001(5) -0.011(5) O21 0.041(5) 0.050(5) 0.043(5) 0.002(5) -0.006(5) -0.010(5) O22 0.039(5) 0.055(5) 0.037(5) -0.011(5) 0.002(5) -0.005(5) O23 0.038(5) 0.053(5) 0.037(5) -0.012(5) 0.004(5) -0.004(5) O24 0.050(5) 0.046(5) 0.040(5) -0.006(5) 0.012(5) -0.005(5) O25 0.045(5) 0.044(5) 0.039(5) -0.006(5) 0.017(5) -0.008(5) O26 0.041(5) 0.048(5) 0.039(5) -0.006(5) -0.002(5) -0.003(5) O27 0.043(5) 0.047(5) 0.036(5) -0.011(5) 0.003(5) -0.002(5) O28 0.039(5) 0.045(5) 0.039(5) -0.004(5) -0.001(5) -0.007(5) O29 0.046(11) 0.043(11) 0.075(12) -0.035(10) 0.008(10) 0.014(10) O30 0.061(10) 0.034(9) 0.034(9) -0.017(8) -0.003(8) -0.010(8) O31 0.040(11) 0.073(13) 0.043(11) -0.008(10) 0.010(9) 0.001(10) O32 0.026(10) 0.053(11) 0.065(11) -0.031(10) -0.005(9) 0.014(9) O33 0.059(11) 0.035(10) 0.025(9) -0.014(8) 0.008(8) -0.008(9) O34 0.051(11) 0.050(11) 0.035(10) -0.022(9) 0.010(9) -0.007(10) O35 0.075(12) 0.030(10) 0.064(11) -0.005(9) 0.003(10) -0.021(10) O36 0.043(11) 0.075(12) 0.064(11) -0.016(10) -0.005(10) -0.014(10) O37 0.030(7) 0.052(8) 0.030(7) -0.002(7) 0.017(6) 0.007(7) O38 0.041(8) 0.052(8) 0.025(7) -0.010(6) 0.018(6) 0.006(7) O39 0.058(9) 0.036(8) 0.053(8) -0.013(7) -0.007(7) -0.003(7) O40 0.052(10) 0.055(10) 0.051(10) -0.009(9) -0.006(9) -0.007(9) O41 0.044(5) 0.045(5) 0.038(5) -0.011(5) 0.003(5) -0.004(5) O42 0.058(7) 0.055(7) 0.053(7) -0.008(6) 0.004(6) -0.009(7) O43 0.050(7) 0.049(7) 0.041(7) -0.010(6) 0.006(6) -0.001(7) O44 0.044(5) 0.040(5) 0.034(5) -0.014(5) 0.000(5) 0.002(5) O45 0.051(7) 0.047(7) 0.036(6) -0.012(6) 0.003(6) -0.001(6) O46 0.053(7) 0.054(7) 0.041(7) -0.013(6) -0.008(6) -0.004(7) O47 0.040(5) 0.045(6) 0.047(5) -0.013(5) 0.001(5) -0.001(5) O48 0.043(7) 0.053(7) 0.050(7) -0.011(6) 0.010(6) -0.006(6) O49 0.047(7) 0.054(7) 0.059(7) -0.020(7) -0.003(7) -0.004(7) O50 0.038(6) 0.036(6) 0.037(6) -0.013(5) 0.001(5) 0.001(5) O51 0.052(7) 0.049(7) 0.047(7) -0.009(7) -0.002(7) 0.001(7) O52 0.043(7) 0.044(7) 0.044(7) -0.014(6) -0.006(6) 0.000(6) O53 0.037(5) 0.045(5) 0.039(5) -0.015(5) 0.002(5) -0.008(5) O54 0.043(7) 0.051(7) 0.042(6) -0.015(6) -0.005(6) -0.008(6) O55 0.036(7) 0.049(7) 0.048(7) -0.015(6) 0.007(6) -0.013(6) O56 0.035(6) 0.043(6) 0.034(6) -0.013(5) 0.001(5) -0.001(6) O57 0.036(7) 0.050(7) 0.037(7) -0.023(6) 0.004(6) 0.001(7) O58 0.042(7) 0.041(7) 0.044(6) -0.011(6) 0.002(6) -0.002(6) O59 0.049(10) 0.058(11) 0.032(9) -0.022(8) -0.003(8) 0.002(9) O60 0.052(11) 0.056(11) 0.034(10) -0.010(9) 0.009(9) -0.002(10) P1 0.013(2) 0.019(2) 0.0140(19) -0.0088(17) 0.0008(17) -0.0071(18) P2 0.044(4) 0.041(4) 0.033(4) -0.006(3) 0.006(3) -0.006(3) P4 0.031(4) 0.040(4) 0.041(4) -0.014(3) 0.005(3) -0.006(3) P5 0.036(4) 0.038(4) 0.038(4) -0.011(3) -0.002(3) 0.000(3) P6 0.026(3) 0.037(4) 0.034(3) -0.014(3) -0.001(3) -0.009(3) P3 0.036(4) 0.039(4) 0.027(3) -0.016(3) 0.001(3) -0.001(3) P7 0.030(4) 0.036(4) 0.030(3) -0.017(3) 0.000(3) -0.002(3) C1 0.046(7) 0.045(7) 0.034(6) -0.013(6) 0.006(6) -0.003(6) C2 0.050(6) 0.046(6) 0.037(6) -0.013(6) 0.000(6) -0.003(6) C3 0.064(9) 0.067(9) 0.062(9) -0.009(9) 0.008(9) -0.008(9) C4 0.10(2) 0.11(2) 0.11(2) -0.02(2) 0.02(2) -0.02(2) C5 0.082(13) 0.080(13) 0.084(13) -0.012(12) 0.000(12) -0.006(12) C6 0.061(8) 0.058(8) 0.044(8) -0.008(8) 0.001(8) -0.001(8) C7 0.087(15) 0.076(15) 0.057(14) 0.002(14) 0.000(14) 0.007(14) C8 0.087(16) 0.083(15) 0.066(14) -0.019(13) -0.005(13) 0.005(14) C9 0.058(10) 0.055(9) 0.042(9) -0.013(9) 0.004(9) 0.002(9) C10 0.100(18) 0.095(18) 0.061(16) -0.009(16) 0.013(16) 0.014(17) C11 0.097(16) 0.084(15) 0.074(15) -0.018(14) 0.002(14) -0.001(15) C12 0.058(9) 0.049(9) 0.049(9) -0.015(8) -0.007(9) -0.004(9) C13 0.061(11) 0.067(11) 0.063(11) -0.009(10) 0.000(10) -0.009(10) C14 0.086(16) 0.087(16) 0.084(15) -0.024(13) -0.009(13) -0.013(14) C15 0.043(6) 0.047(6) 0.046(6) -0.015(6) 0.001(6) 0.001(6) C16 0.042(7) 0.046(7) 0.047(7) -0.011(6) 0.000(6) 0.001(6) C17 0.048(9) 0.062(9) 0.058(9) -0.016(8) 0.009(8) -0.002(8) C18 0.067(15) 0.071(15) 0.095(15) -0.023(14) 0.019(14) 0.002(14) C19 0.10(2) 0.09(2) 0.11(2) -0.005(19) 0.02(2) -0.01(2) C20 0.047(9) 0.052(9) 0.060(9) -0.023(9) 0.003(9) -0.005(9) C21 0.089(18) 0.066(17) 0.090(17) -0.030(16) 0.005(17) -0.003(16) C22 0.092(17) 0.078(16) 0.089(16) -0.022(15) -0.007(16) 0.004(16) C23 0.050(8) 0.046(8) 0.047(7) -0.011(7) 0.001(7) 0.000(7) C24 0.089(14) 0.098(14) 0.080(13) -0.006(13) 0.007(13) 0.004(13) C25 0.074(14) 0.085(14) 0.070(14) -0.009(12) 0.008(12) -0.011(13) C26 0.044(9) 0.047(9) 0.053(9) -0.017(9) -0.002(9) 0.004(9) C27 0.066(11) 0.058(11) 0.060(10) -0.014(8) -0.011(8) -0.003(8) C28 0.073(13) 0.061(12) 0.069(12) -0.015(11) 0.001(11) 0.002(11) C29 0.039(7) 0.045(7) 0.041(6) -0.012(6) -0.001(6) -0.005(6) C30 0.036(7) 0.043(7) 0.038(7) -0.014(6) 0.001(6) -0.005(6) C31 0.048(8) 0.055(8) 0.053(8) -0.015(8) -0.002(8) -0.008(8) C32 0.075(14) 0.078(14) 0.075(13) -0.013(12) -0.010(12) -0.004(12) C33 0.067(13) 0.080(13) 0.078(13) -0.003(13) -0.008(13) 0.002(13) C34 0.046(8) 0.053(8) 0.050(8) -0.013(8) 0.002(8) -0.011(8) C35 0.077(11) 0.074(11) 0.078(11) -0.001(10) 0.005(10) -0.008(10) C36 0.066(14) 0.065(14) 0.066(13) -0.003(13) 0.003(13) -0.015(13) C37 0.041(9) 0.048(9) 0.040(9) -0.019(8) 0.000(8) 0.004(9) C38 0.062(15) 0.070(15) 0.060(14) -0.023(13) 0.000(14) 0.014(14) C39 0.055(16) 0.068(16) 0.057(15) -0.031(14) -0.008(14) -0.011(14) C40 0.040(9) 0.043(9) 0.043(9) -0.018(8) 0.003(8) 0.004(8) C41 0.065(10) 0.060(10) 0.062(10) -0.011(8) -0.004(8) -0.002(8) C42 0.057(13) 0.063(13) 0.058(12) -0.009(11) -0.017(11) -0.003(11) loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Nd Nd -0.1943 3.0179 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' W W -0.8490 6.8722 '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 O29 W1 O11 101.4(11) . . ? O29 W1 O10 101.2(11) . . ? O11 W1 O10 87.4(9) . . ? O29 W1 O5 103.6(11) . . ? O11 W1 O5 88.7(9) . . ? O10 W1 O5 155.2(9) . . ? O29 W1 O20 103.1(11) . . ? O11 W1 O20 155.1(9) . . ? O10 W1 O20 83.8(9) . . ? O5 W1 O20 89.5(9) . . ? O29 W1 O4' 159.1(10) . . ? O11 W1 O4' 65.7(8) . . ? O10 W1 O4' 63.3(8) . . ? O5 W1 O4' 92.9(8) . . ? O20 W1 O4' 89.7(9) . . ? O29 W1 O1 156.9(10) . . ? O11 W1 O1 96.9(9) . . ? O10 W1 O1 93.5(9) . . ? O5 W1 O1 62.7(9) . . ? O20 W1 O1 60.6(9) . . ? O30 W2 O5 100.3(10) . . ? O30 W2 O21 103.0(10) . . ? O5 W2 O21 89.4(10) . . ? O30 W2 O6 103.4(10) . . ? O5 W2 O6 156.2(10) . . ? O21 W2 O6 87.0(10) . . ? O30 W2 O12 100.7(10) . . ? O5 W2 O12 85.8(9) . . ? O21 W2 O12 156.3(9) . . ? O6 W2 O12 88.1(9) . . ? O30 W2 O1 155.5(9) . . ? O5 W2 O1 63.4(10) . . ? O21 W2 O1 61.0(9) . . ? O6 W2 O1 94.6(9) . . ? O12 W2 O1 96.4(9) . . ? O30 W2 O3' 159.9(9) . . ? O5 W2 O3' 92.4(9) . . ? O21 W2 O3' 92.4(8) . . ? O6 W2 O3' 64.3(9) . . ? O12 W2 O3' 64.6(8) . . ? O31 W3 O7 103.6(11) . . ? O31 W3 O6 100.6(11) . . ? O7 W3 O6 155.6(10) . . ? O31 W3 O22 101.4(10) . . ? O7 W3 O22 88.5(9) . . ? O6 W3 O22 83.8(9) . . ? O31 W3 O13 103.2(11) . . ? O7 W3 O13 90.0(9) . . ? O6 W3 O13 87.4(9) . . ? O22 W3 O13 155.0(10) . . ? O31 W3 O2 155.9(10) . . ? O7 W3 O2 62.2(9) . . ? O6 W3 O2 94.0(10) . . ? O22 W3 O2 61.1(9) . . ? O13 W3 O2 96.4(9) . . ? O31 W3 O3' 160.1(10) . . ? O7 W3 O3' 92.0(9) . . ? O6 W3 O3' 65.1(9) . . ? O22 W3 O3' 91.2(8) . . ? O13 W3 O3' 64.0(9) . . ? O32 W4 O23 104.5(11) . . ? O32 W4 O7 101.9(10) . . ? O23 W4 O7 88.6(9) . . ? O32 W4 O8 103.2(10) . . ? O23 W4 O8 89.4(9) . . ? O7 W4 O8 154.6(10) . . ? O32 W4 O14 99.9(10) . . ? O23 W4 O14 155.6(10) . . ? O7 W4 O14 85.0(9) . . ? O8 W4 O14 86.4(9) . . ? O32 W4 O2' 156.8(9) . . ? O23 W4 O2' 94.9(8) . . ? O7 W4 O2' 91.1(9) . . ? O8 W4 O2' 63.8(9) . . ? O14 W4 O2' 61.8(9) . . ? O32 W4 O2 158.0(9) . . ? O23 W4 O2 64.5(9) . . ? O7 W4 O2 60.5(9) . . ? O8 W4 O2 96.0(9) . . ? O14 W4 O2 92.1(9) . . ? O33 W5 O8 101.1(10) . . ? O33 W5 O9 103.0(10) . . ? O8 W5 O9 155.9(10) . . ? O33 W5 O15 101.6(10) . . ? O8 W5 O15 88.8(9) . . ? O9 W5 O15 86.2(9) . . ? O33 W5 O24 104.2(10) . . ? O8 W5 O24 85.8(9) . . ? O9 W5 O24 88.6(9) . . ? O15 W5 O24 154.2(9) . . ? O33 W5 O3 157.6(9) . . ? O8 W5 O3 94.6(10) . . ? O9 W5 O3 62.4(10) . . ? O15 W5 O3 94.4(9) . . ? O24 W5 O3 61.0(9) . . ? O33 W5 O2' 158.6(8) . . ? O8 W5 O2' 65.2(9) . . ? O9 W5 O2' 91.6(9) . . ? O15 W5 O2' 63.4(8) . . ? O24 W5 O2' 91.5(8) . . ? O34 W6 O10 102.9(10) . . ? O34 W6 O9 101.9(10) . . ? O10 W6 O9 155.2(10) . . ? O34 W6 O16 103.3(10) . . ? O10 W6 O16 88.1(9) . . ? O9 W6 O16 86.6(9) . . ? O34 W6 O25 100.3(10) . . ? O10 W6 O25 88.0(9) . . ? O9 W6 O25 87.3(9) . . ? O16 W6 O25 156.4(10) . . ? O34 W6 O4' 161.6(9) . . ? O10 W6 O4' 64.2(9) . . ? O9 W6 O4' 91.7(9) . . ? O16 W6 O4' 64.8(8) . . ? O25 W6 O4' 92.6(9) . . ? O34 W6 O3 154.0(9) . . ? O10 W6 O3 95.2(9) . . ? O9 W6 O3 61.3(9) . . ? O16 W6 O3 95.6(9) . . ? O25 W6 O3 61.6(9) . . ? O35 W7 O16 98.7(11) . . ? O35 W7 O19 103.1(11) . . ? O16 W7 O19 88.8(10) . . ? O35 W7 O11 98.7(11) . . ? O16 W7 O11 87.9(9) . . ? O19 W7 O11 158.2(9) . . ? O35 W7 O17 106.0(11) . . ? O16 W7 O17 155.3(9) . . ? O19 W7 O17 86.8(9) . . ? O11 W7 O17 87.2(9) . . ? O35 W7 O4 159.4(10) . . ? O16 W7 O4 95.7(9) . . ? O19 W7 O4 62.5(9) . . ? O11 W7 O4 96.4(9) . . ? O17 W7 O4 60.8(9) . . ? O35 W7 O4' 156.8(10) . . ? O16 W7 O4' 65.0(8) . . ? O19 W7 O4' 93.4(8) . . ? O11 W7 O4' 65.8(9) . . ? O17 W7 O4' 90.9(8) . . ? O36 W8 O12 97.6(11) . . ? O36 W8 O13 97.9(12) . . ? O12 W8 O13 87.1(10) . . ? O36 W8 O17 104.3(11) . . ? O12 W8 O17 89.6(10) . . ? O13 W8 O17 157.9(10) . . ? O36 W8 O18 101.4(11) . . ? O12 W8 O18 160.9(10) . . ? O13 W8 O18 89.9(10) . . ? O17 W8 O18 86.1(10) . . ? O36 W8 O3' 158.4(9) . . ? O12 W8 O3' 68.4(9) . . ? O13 W8 O3' 66.1(9) . . ? O17 W8 O3' 92.4(9) . . ? O18 W8 O3' 93.2(9) . . ? O36 W8 O4 157.3(10) . . ? O12 W8 O4 99.1(10) . . ? O13 W8 O4 98.2(10) . . ? O17 W8 O4 60.8(10) . . ? O18 W8 O4 62.7(9) . . ? O37 W9 O14 104.2(10) . . ? O37 W9 O15 101.4(10) . . ? O14 W9 O15 88.9(10) . . ? O37 W9 O19 99.3(10) . . ? O14 W9 O19 156.5(9) . . ? O15 W9 O19 85.7(10) . . ? O37 W9 O18 101.8(10) . . ? O14 W9 O18 89.8(10) . . ? O15 W9 O18 156.4(9) . . ? O19 W9 O18 86.1(10) . . ? O37 W9 O2' 160.7(9) . . ? O14 W9 O2' 64.3(9) . . ? O15 W9 O2' 64.4(8) . . ? O19 W9 O2' 92.8(8) . . ? O18 W9 O2' 93.9(8) . . ? O37 W9 O4 154.6(9) . . ? O14 W9 O4 95.8(9) . . ? O15 W9 O4 94.4(9) . . ? O19 W9 O4 61.9(9) . . ? O18 W9 O4 62.3(9) . . ? O38 W10 O20 102.3(10) . . ? O38 W10 O21 103.8(10) . . ? O20 W10 O21 89.5(10) . . ? O38 W10 O26 103.9(10) . . ? O20 W10 O26 153.8(9) . . ? O21 W10 O26 84.6(9) . . ? O38 W10 O28 100.8(10) . . ? O20 W10 O28 88.1(9) . . ? O21 W10 O28 155.2(9) . . ? O26 W10 O28 86.8(9) . . ? O38 W10 O1 156.5(9) . . ? O20 W10 O1 62.2(10) . . ? O21 W10 O1 61.1(9) . . ? O26 W10 O1 92.9(9) . . ? O28 W10 O1 96.3(9) . . ? O38 W10 O1' 159.4(9) . . ? O20 W10 O1' 92.6(9) . . ? O21 W10 O1' 90.3(9) . . ? O26 W10 O1' 62.0(8) . . ? O28 W10 O1' 65.2(8) . . ? O39 W11 O26 102.4(10) . . ? O39 W11 O22 100.5(11) . . ? O26 W11 O22 86.4(9) . . ? O39 W11 O27 103.5(10) . . ? O26 W11 O27 88.5(9) . . ? O22 W11 O27 156.0(9) . . ? O39 W11 O23 99.8(10) . . ? O26 W11 O23 157.8(9) . . ? O22 W11 O23 88.1(9) . . ? O27 W11 O23 87.8(9) . . ? O39 W11 O1' 162.6(9) . . ? O26 W11 O1' 65.3(9) . . ? O22 W11 O1' 91.3(9) . . ? O27 W11 O1' 65.4(8) . . ? O23 W11 O1' 93.3(8) . . ? O39 W11 O2 153.4(9) . . ? O26 W11 O2 95.1(9) . . ? O22 W11 O2 60.5(9) . . ? O27 W11 O2 96.7(9) . . ? O23 W11 O2 63.6(9) . . ? O40 W12 O24 102.0(11) . . ? O40 W12 O25 101.9(11) . . ? O24 W12 O25 88.8(9) . . ? O40 W12 O28 99.4(10) . . ? O24 W12 O28 158.6(10) . . ? O25 W12 O28 88.0(9) . . ? O40 W12 O27 99.8(11) . . ? O24 W12 O27 88.4(9) . . ? O25 W12 O27 158.3(10) . . ? O28 W12 O27 86.8(9) . . ? O40 W12 O3 157.3(9) . . ? O24 W12 O3 62.5(10) . . ? O25 W12 O3 63.4(10) . . ? O28 W12 O3 97.3(9) . . ? O27 W12 O3 96.4(9) . . ? O40 W12 O1' 158.7(9) . . ? O24 W12 O1' 92.5(9) . . ? O25 W12 O1' 93.9(9) . . ? O28 W12 O1' 66.7(8) . . ? O27 W12 O1' 64.7(9) . . ? O50 Nd1 O53 112.4(7) . . ? O50 Nd1 O56 137.1(6) . . ? O53 Nd1 O56 77.0(7) . . ? O50 Nd1 O47 79.4(7) . . ? O53 Nd1 O47 146.9(7) . . ? O56 Nd1 O47 116.2(7) . . ? O50 Nd1 O41 149.4(7) . . ? O53 Nd1 O41 80.1(7) . . ? O56 Nd1 O41 71.6(7) . . ? O47 Nd1 O41 76.4(7) . . ? O50 Nd1 O44 76.8(7) . . ? O53 Nd1 O44 76.6(7) . . ? O56 Nd1 O44 143.6(7) . . ? O47 Nd1 O44 76.5(7) . . ? O41 Nd1 O44 79.5(7) . . ? O50 Nd1 O59 76.2(7) . . ? O53 Nd1 O59 137.9(7) . . ? O56 Nd1 O59 71.4(7) . . ? O47 Nd1 O59 73.9(7) . . ? O41 Nd1 O59 114.1(7) . . ? O44 Nd1 O59 142.8(7) . . ? O50 Nd1 O60 69.7(7) . . ? O53 Nd1 O60 72.9(7) . . ? O56 Nd1 O60 74.3(7) . . ? O47 Nd1 O60 138.5(7) . . ? O41 Nd1 O60 140.3(7) . . ? O44 Nd1 O60 120.3(7) . . ? O59 Nd1 O60 72.4(7) . . ? P1 O1 W10 123.0(16) . . ? P1 O1 W1 122.5(16) . . ? W10 O1 W1 94.0(7) . . ? P1 O1 W2 122.1(16) . . ? W10 O1 W2 93.7(7) . . ? W1 O1 W2 93.7(7) . . ? P1 O2 W3 124.0(16) . . ? P1 O2 W4 122.0(16) . . ? W3 O2 W4 94.6(7) . . ? P1 O2 W11 120.9(16) . . ? W3 O2 W11 94.5(7) . . ? W4 O2 W11 93.0(8) . . ? P1 O3 W12 123.6(15) . . ? P1 O3 W5 123.2(16) . . ? W12 O3 W5 94.3(7) . . ? P1 O3 W6 120.8(16) . . ? W12 O3 W6 93.8(8) . . ? W5 O3 W6 93.3(7) . . ? P1 O4 W7 123.8(16) . . ? P1 O4 W9 121.9(16) . . ? W7 O4 W9 94.4(7) . . ? P1 O4 W8 121.1(15) . . ? W7 O4 W8 94.5(8) . . ? W9 O4 W8 93.6(8) . . ? P1 O1' W11 125.4(13) . . ? P1 O1' W12 121.9(13) . . ? W11 O1' W12 93.5(6) . . ? P1 O1' W10 121.8(13) . . ? W11 O1' W10 93.6(6) . . ? W12 O1' W10 92.0(6) . . ? P1 O2' W9 122.9(13) . . ? P1 O2' W5 123.4(13) . . ? W9 O2' W5 93.8(6) . . ? P1 O2' W4 122.1(13) . . ? W9 O2' W4 93.7(6) . . ? W5 O2' W4 92.8(6) . . ? P1 O3' W8 124.4(13) . . ? P1 O3' W3 122.8(13) . . ? W8 O3' W3 93.7(6) . . ? P1 O3' W2 121.5(13) . . ? W8 O3' W2 93.5(6) . . ? W3 O3' W2 92.6(6) . . ? P1 O4' W6 123.6(13) . . ? P1 O4' W1 123.6(13) . . ? W6 O4' W1 93.8(6) . . ? P1 O4' W7 122.2(13) . . ? W6 O4' W7 92.5(6) . . ? W1 O4' W7 92.6(6) . . ? W2 O5 W1 139.2(13) . . ? W2 O6 W3 137.3(12) . . ? W3 O7 W4 141.5(12) . . ? W5 O8 W4 137.9(13) . . ? W5 O9 W6 142.2(12) . . ? W6 O10 W1 138.0(12) . . ? W7 O11 W1 135.8(12) . . ? W8 O12 W2 133.3(13) . . ? W8 O13 W3 136.2(13) . . ? W9 O14 W4 139.8(13) . . ? W9 O15 W5 137.6(12) . . ? W7 O16 W6 137.4(12) . . ? W8 O17 W7 143.3(13) . . ? W8 O18 W9 141.2(13) . . ? W7 O19 W9 140.7(12) . . ? W10 O20 W1 141.8(13) . . ? W2 O21 W10 143.3(12) . . ? W11 O22 W3 142.8(12) . . ? W4 O23 W11 138.6(12) . . ? W12 O24 W5 141.1(13) . . ? W12 O25 W6 140.8(13) . . ? W11 O26 W10 138.3(12) . . ? W12 O27 W11 136.1(12) . . ? W12 O28 W10 136.1(12) . . ? P2 O41 Nd1 147.0(14) . . ? C3 O42 P2 122.9(16) . . ? C6 O43 P2 126.2(14) . . ? P3 O44 Nd1 150.7(13) . . ? C9 O45 P3 123.7(15) . . ? C12 O46 P3 123.3(15) . . ? P4 O47 Nd1 148.4(14) . . ? C17 O48 P4 126.7(16) . . ? C20 O49 P4 127.3(17) . . ? P5 O50 Nd1 155.9(12) . . ? C23 O51 P5 127.2(12) . . ? C26 O52 P5 123.8(15) . . ? P6 O53 Nd1 153.2(13) . . ? C31 O54 P6 137.0(14) . . ? C34 O55 P6 129.6(13) . . ? P7 O56 Nd1 152.6(12) . . ? C37 O57 P7 119.5(14) . . ? C40 O58 P7 122.5(15) . . ? Nd1 O59 H59A 115.9 . . ? Nd1 O59 H59B 99.2 . . ? H59A O59 H59B 115.9 . . ? Nd1 O60 H60A 108.1 . . ? Nd1 O60 H60C 109.1 . . ? H60A O60 H60C 109.6 . . ? O4' P1 O1' 110.2(9) . . ? O2 P1 O1 109.2(9) . . ? O4' P1 O2' 109.3(9) . . ? O1' P1 O2' 108.8(9) . . ? O2 P1 O4 109.7(9) . . ? O1 P1 O4 109.5(9) . . ? O4' P1 O3' 109.9(9) . . ? O1' P1 O3' 109.7(9) . . ? O2' P1 O3' 108.9(9) . . ? O2 P1 O3 109.5(9) . . ? O1 P1 O3 109.4(9) . . ? O4 P1 O3 109.5(9) . . ? O41 P2 O43 106.0(12) . . ? O41 P2 O42 115.2(12) . . ? O43 P2 O42 110.1(12) . . ? O41 P2 C1 114.6(10) . . ? O43 P2 C1 109.4(10) . . ? O42 P2 C1 101.5(9) . . ? O47 P4 O49 115.9(13) . . ? O47 P4 O48 107.7(12) . . ? O49 P4 O48 109.1(12) . . ? O47 P4 C15 114.4(10) . . ? O49 P4 C15 105.1(9) . . ? O48 P4 C15 103.9(9) . . ? O50 P5 O52 108.1(12) . . ? O50 P5 O51 114.7(11) . . ? O52 P5 O51 104.3(10) . . ? O50 P5 C16 113.4(10) . . ? O52 P5 C16 111.4(9) . . ? O51 P5 C16 104.7(9) . . ? O53 P6 O54 110.2(11) . . ? O53 P6 O55 113.0(12) . . ? O54 P6 O55 108.6(11) . . ? O53 P6 C29 113.5(10) . . ? O54 P6 C29 108.5(10) . . ? O55 P6 C29 102.6(8) . . ? O44 P3 O45 107.1(12) . . ? O44 P3 O46 114.4(11) . . ? O45 P3 O46 110.0(11) . . ? O44 P3 C2 111.1(10) . . ? O45 P3 C2 110.5(9) . . ? O46 P3 C2 103.8(9) . . ? O56 P7 O58 110.3(12) . . ? O56 P7 O57 112.9(11) . . ? O58 P7 O57 108.8(11) . . ? O56 P7 C30 114.3(10) . . ? O58 P7 C30 107.6(9) . . ? O57 P7 C30 102.6(9) . . ? C2 C1 P2 110.0(4) . . ? C2 C1 H1A 109.7 . . ? P2 C1 H1A 109.7 . . ? C2 C1 H1B 109.7 . . ? P2 C1 H1B 109.7 . . ? H1A C1 H1B 108.2 . . ? C1 C2 P3 112.8(3) . . ? C1 C2 H2A 109.0 . . ? P3 C2 H2A 109.0 . . ? C1 C2 H2B 109.0 . . ? P3 C2 H2B 109.0 . . ? H2A C2 H2B 107.8 . . ? C5 C3 O42 104.7(8) . . ? C5 C3 C4 111.9 . . ? O42 C3 C4 104.6(8) . . ? C5 C3 H3 111.8 . . ? O42 C3 H3 111.8 . . ? C4 C3 H3 111.8 . . ? C3 C4 H4A 109.5 . . ? C3 C4 H4B 109.5 . . ? H4A C4 H4B 109.5 . . ? C3 C4 H4C 109.5 . . ? H4A C4 H4C 109.5 . . ? H4B C4 H4C 109.5 . . ? C3 C5 H5A 109.5 . . ? C3 C5 H5B 109.5 . . ? H5A C5 H5B 109.5 . . ? C3 C5 H5C 109.5 . . ? H5A C5 H5C 109.5 . . ? H5B C5 H5C 109.5 . . ? O43 C6 C8 108.5(8) . . ? O43 C6 C7 108.5(8) . . ? C8 C6 C7 113.4 . . ? O43 C6 H6 108.8 . . ? C8 C6 H6 108.8 . . ? C7 C6 H6 108.8 . . ? C6 C7 H7A 109.5 . . ? C6 C7 H7B 109.5 . . ? H7A C7 H7B 109.5 . . ? C6 C7 H7C 109.5 . . ? H7A C7 H7C 109.5 . . ? H7B C7 H7C 109.5 . . ? C6 C8 H8A 109.5 . . ? C6 C8 H8B 109.5 . . ? H8A C8 H8B 109.5 . . ? C6 C8 H8C 109.5 . . ? H8A C8 H8C 109.5 . . ? H8B C8 H8C 109.5 . . ? O45 C9 C11 105.3(7) . . ? O45 C9 C10 106.0(7) . . ? C11 C9 C10 112.2 . . ? O45 C9 H9 111.0 . . ? C11 C9 H9 111.0 . . ? C10 C9 H9 111.0 . . ? C9 C10 H10A 109.5 . . ? C9 C10 H10B 109.5 . . ? H10A C10 H10B 109.5 . . ? C9 C10 H10C 109.5 . . ? H10A C10 H10C 109.5 . . ? H10B C10 H10C 109.5 . . ? C9 C11 H11A 109.5 . . ? C9 C11 H11B 109.5 . . ? H11A C11 H11B 109.5 . . ? C9 C11 H11C 109.5 . . ? H11A C11 H11C 109.5 . . ? H11B C11 H11C 109.5 . . ? O46 C12 C14 109.3(7) . . ? O46 C12 C13 109.0(8) . . ? C14 C12 C13 111.8 . . ? O46 C12 H12 108.9 . . ? C14 C12 H12 108.9 . . ? C13 C12 H12 108.9 . . ? C12 C13 H13A 109.5 . . ? C12 C13 H13B 109.5 . . ? H13A C13 H13B 109.5 . . ? C12 C13 H13C 109.5 . . ? H13A C13 H13C 109.5 . . ? H13B C13 H13C 109.5 . . ? C12 C14 H14A 109.5 . . ? C12 C14 H14B 109.5 . . ? H14A C14 H14B 109.5 . . ? C12 C14 H14C 109.5 . . ? H14A C14 H14C 109.5 . . ? H14B C14 H14C 109.5 . . ? C16 C15 P4 114.0(3) . . ? C16 C15 H15A 108.8 . . ? P4 C15 H15A 108.8 . . ? C16 C15 H15B 108.8 . . ? P4 C15 H15B 108.8 . . ? H15A C15 H15B 107.7 . . ? C15 C16 P5 115.8(4) . . ? C15 C16 H16A 106.3 . . ? P5 C16 H16A 107.5 . . ? C15 C16 H16B 110.0 . . ? P5 C16 H16B 109.4 . . ? H16A C16 H16B 107.3 . . ? O48 C17 C18 108.6(8) . . ? O48 C17 C19 108.1(8) . . ? C18 C17 C19 112.7 . . ? O48 C17 H17 109.1 . . ? C18 C17 H17 109.1 . . ? C19 C17 H17 109.1 . . ? C17 C18 H18A 109.5 . . ? C17 C18 H18B 109.5 . . ? H18A C18 H18B 109.5 . . ? C17 C18 H18C 109.5 . . ? H18A C18 H18C 109.5 . . ? H18B C18 H18C 109.5 . . ? C17 C19 H19A 109.5 . . ? C17 C19 H19B 109.5 . . ? H19A C19 H19B 109.5 . . ? C17 C19 H19C 109.5 . . ? H19A C19 H19C 109.5 . . ? H19B C19 H19C 109.5 . . ? O49 C20 C22 110.8(8) . . ? O49 C20 C21 110.1(8) . . ? C22 C20 C21 112.4 . . ? O49 C20 H20 107.8 . . ? C22 C20 H20 107.8 . . ? C21 C20 H20 107.8 . . ? C20 C21 H21A 109.5 . . ? C20 C21 H21B 109.5 . . ? H21A C21 H21B 109.5 . . ? C20 C21 H21C 109.5 . . ? H21A C21 H21C 109.5 . . ? H21B C21 H21C 109.5 . . ? C20 C22 H22A 109.5 . . ? C20 C22 H22B 109.5 . . ? H22A C22 H22B 109.5 . . ? C20 C22 H22C 109.5 . . ? H22A C22 H22C 109.5 . . ? H22B C22 H22C 109.5 . . ? O51 C23 C24 108.4(8) . . ? O51 C23 C25 107.1(8) . . ? C24 C23 C25 109.1 . . ? O51 C23 H23 110.7 . . ? C24 C23 H23 110.7 . . ? C25 C23 H23 110.7 . . ? C23 C24 H24A 109.5 . . ? C23 C24 H24B 109.5 . . ? H24A C24 H24B 109.5 . . ? C23 C24 H24C 109.5 . . ? H24A C24 H24C 109.5 . . ? H24B C24 H24C 109.5 . . ? C23 C25 H25A 109.5 . . ? C23 C25 H25B 109.5 . . ? H25A C25 H25B 109.5 . . ? C23 C25 H25C 109.5 . . ? H25A C25 H25C 109.5 . . ? H25B C25 H25C 109.5 . . ? O52 C26 C28 106.2(7) . . ? O52 C26 C27 104.2(7) . . ? C28 C26 C27 112.7 . . ? O52 C26 H26 111.1 . . ? C28 C26 H26 111.1 . . ? C27 C26 H26 111.1 . . ? C26 C27 H27A 109.5 . . ? C26 C27 H27B 109.5 . . ? H27A C27 H27B 109.5 . . ? C26 C27 H27C 109.5 . . ? H27A C27 H27C 109.5 . . ? H27B C27 H27C 109.5 . . ? C26 C28 H28A 109.5 . . ? C26 C28 H28B 109.5 . . ? H28A C28 H28B 109.5 . . ? C26 C28 H28C 109.5 . . ? H28A C28 H28C 109.5 . . ? H28B C28 H28C 109.5 . . ? C30 C29 P6 116.5(4) . . ? C30 C29 H29A 108.2 . . ? P6 C29 H29A 108.2 . . ? C30 C29 H29B 108.2 . . ? P6 C29 H29B 108.2 . . ? H29A C29 H29B 107.3 . . ? C29 C30 P7 117.1(4) . . ? C29 C30 H30A 108.0 . . ? P7 C30 H30A 108.0 . . ? C29 C30 H30B 108.0 . . ? P7 C30 H30B 108.0 . . ? H30A C30 H30B 107.3 . . ? O54 C31 C33 116.8(10) . . ? O54 C31 C32 114.0(11) . . ? C33 C31 C32 112.5(6) . . ? O54 C31 H31 103.9 . . ? C33 C31 H31 103.9 . . ? C32 C31 H31 103.9 . . ? C31 C32 H32A 109.5 . . ? C31 C32 H32B 109.5 . . ? H32A C32 H32B 109.5 . . ? C31 C32 H32C 109.5 . . ? H32A C32 H32C 109.5 . . ? H32B C32 H32C 109.5 . . ? C31 C33 H33A 109.5 . . ? C31 C33 H33B 109.5 . . ? H33A C33 H33B 109.5 . . ? C31 C33 H33C 109.5 . . ? H33A C33 H33C 109.5 . . ? H33B C33 H33C 109.5 . . ? O55 C34 C36 106.7(8) . . ? O55 C34 C35 104.3(7) . . ? C36 C34 C35 107.6 . . ? O55 C34 H34 112.6 . . ? C36 C34 H34 112.6 . . ? C35 C34 H34 112.6 . . ? C34 C35 H35A 109.5 . . ? C34 C35 H35B 109.5 . . ? H35A C35 H35B 109.5 . . ? C34 C35 H35C 109.5 . . ? H35A C35 H35C 109.5 . . ? H35B C35 H35C 109.5 . . ? C34 C36 H36A 109.5 . . ? C34 C36 H36B 109.5 . . ? H36A C36 H36B 109.5 . . ? C34 C36 H36C 109.5 . . ? H36A C36 H36C 109.5 . . ? H36B C36 H36C 109.5 . . ? O57 C37 C38 105.5(7) . . ? O57 C37 C39 105.2(7) . . ? C38 C37 C39 113.2 . . ? O57 C37 H37 110.9 . . ? C38 C37 H37 110.9 . . ? C39 C37 H37 110.9 . . ? C37 C38 H38A 109.5 . . ? C37 C38 H38B 109.5 . . ? H38A C38 H38B 109.5 . . ? C37 C38 H38C 109.5 . . ? H38A C38 H38C 109.5 . . ? H38B C38 H38C 109.5 . . ? C37 C39 H39A 109.5 . . ? C37 C39 H39B 109.5 . . ? H39A C39 H39B 109.5 . . ? C37 C39 H39C 109.5 . . ? H39A C39 H39C 109.5 . . ? H39B C39 H39C 109.5 . . ? O58 C40 C42 108.8(7) . . ? O58 C40 C41 106.2(8) . . ? C42 C40 C41 110.2 . . ? O58 C40 H40 110.5 . . ? C42 C40 H40 110.5 . . ? C41 C40 H40 110.5 . . ? C40 C41 H41A 109.5 . . ? C40 C41 H41B 109.5 . . ? H41A C41 H41B 109.5 . . ? C40 C41 H41C 109.5 . . ? H41A C41 H41C 109.5 . . ? H41B C41 H41C 109.5 . . ? C40 C42 H42A 109.5 . . ? C40 C42 H42B 109.5 . . ? H42A C42 H42B 109.5 . . ? C40 C42 H42C 109.5 . . ? H42A C42 H42C 109.5 . . ? H42B C42 H42C 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 W1 O29 1.65(2) . ? W1 O11 1.93(2) . ? W1 O10 1.93(2) . ? W1 O5 1.94(2) . ? W1 O20 1.96(2) . ? W1 O4' 2.42(2) . ? W1 O1 2.43(3) . ? W2 O30 1.666(19) . ? W2 O5 1.86(2) . ? W2 O21 1.87(2) . ? W2 O6 1.89(2) . ? W2 O12 2.01(2) . ? W2 O1 2.44(3) . ? W2 O3' 2.45(2) . ? W3 O31 1.62(2) . ? W3 O7 1.85(2) . ? W3 O6 1.89(2) . ? W3 O22 1.91(2) . ? W3 O13 1.95(2) . ? W3 O2 2.40(3) . ? W3 O3' 2.42(2) . ? W4 O32 1.63(2) . ? W4 O23 1.87(2) . ? W4 O7 1.92(2) . ? W4 O8 1.93(2) . ? W4 O14 1.96(2) . ? W4 O2' 2.44(2) . ? W4 O2 2.44(3) . ? W5 O33 1.669(19) . ? W5 O8 1.84(2) . ? W5 O9 1.86(2) . ? W5 O15 1.92(2) . ? W5 O24 1.94(2) . ? W5 O3 2.42(3) . ? W5 O2' 2.42(2) . ? W6 O34 1.63(2) . ? W6 O10 1.85(2) . ? W6 O9 1.89(2) . ? W6 O16 1.92(2) . ? W6 O25 1.93(2) . ? W6 O4' 2.41(2) . ? W6 O3 2.45(3) . ? W7 O35 1.65(2) . ? W7 O16 1.85(2) . ? W7 O19 1.86(2) . ? W7 O11 1.86(2) . ? W7 O17 1.91(2) . ? W7 O4 2.41(3) . ? W7 O4' 2.45(2) . ? W8 O36 1.70(2) . ? W8 O12 1.83(2) . ? W8 O13 1.82(2) . ? W8 O17 1.84(2) . ? W8 O18 1.83(2) . ? W8 O3' 2.39(2) . ? W8 O4 2.45(3) . ? W9 O37 1.647(17) . ? W9 O14 1.80(2) . ? W9 O15 1.87(2) . ? W9 O19 1.91(2) . ? W9 O18 1.93(2) . ? W9 O2' 2.40(2) . ? W9 O4 2.42(3) . ? W10 O38 1.673(17) . ? W10 O20 1.80(2) . ? W10 O21 1.88(2) . ? W10 O26 1.95(2) . ? W10 O28 1.95(2) . ? W10 O1 2.43(3) . ? W10 O1' 2.45(2) . ? W11 O39 1.64(2) . ? W11 O26 1.82(2) . ? W11 O22 1.85(2) . ? W11 O27 1.93(2) . ? W11 O23 1.92(2) . ? W11 O1' 2.37(2) . ? W11 O2 2.45(3) . ? W12 O40 1.64(2) . ? W12 O24 1.82(2) . ? W12 O25 1.85(2) . ? W12 O28 1.85(2) . ? W12 O27 1.85(2) . ? W12 O3 2.41(3) . ? W12 O1' 2.44(2) . ? Nd1 O50 2.36(2) . ? Nd1 O53 2.38(2) . ? Nd1 O56 2.41(2) . ? Nd1 O47 2.41(2) . ? Nd1 O41 2.41(2) . ? Nd1 O44 2.429(19) . ? Nd1 O59 2.515(19) . ? Nd1 O60 2.55(2) . ? O1 P1 1.576(10) . ? O2 P1 1.575(10) . ? O3 P1 1.581(10) . ? O4 P1 1.579(10) . ? O1' P1 1.577(10) . ? O2' P1 1.577(10) . ? O3' P1 1.578(10) . ? O4' P1 1.572(10) . ? O41 P2 1.46(2) . ? O42 C3 1.529(16) . ? O42 P2 1.55(2) . ? O43 C6 1.468(15) . ? O43 P2 1.525(19) . ? O44 P3 1.47(2) . ? O45 C9 1.511(15) . ? O45 P3 1.537(19) . ? O46 C12 1.466(15) . ? O46 P3 1.541(19) . ? O47 P4 1.46(2) . ? O48 C17 1.464(15) . ? O48 P4 1.567(18) . ? O49 C20 1.420(15) . ? O49 P4 1.52(2) . ? O50 P5 1.51(2) . ? O51 C23 1.481(16) . ? O51 P5 1.56(2) . ? O52 C26 1.516(15) . ? O52 P5 1.537(18) . ? O53 P6 1.45(2) . ? O54 C31 1.358(17) . ? O54 P6 1.534(17) . ? O55 C34 1.518(15) . ? O55 P6 1.55(2) . ? O56 P7 1.46(2) . ? O57 C37 1.515(16) . ? O57 P7 1.534(17) . ? O58 C40 1.479(16) . ? O58 P7 1.528(19) . ? O59 H59A 0.8531 . ? O59 H59B 0.8539 . ? O60 H60A 0.8569 . ? O60 H60C 0.8532 . ? P2 C1 1.726(11) . ? P4 C15 1.798(11) . ? P5 C16 1.771(12) . ? P6 C29 1.719(12) . ? P3 C2 1.761(11) . ? P7 C30 1.744(13) . ? C1 C2 1.5317(13) . ? C1 H1A 0.9700 . ? C1 H1B 0.9700 . ? C2 H2A 0.9700 . ? C2 H2B 0.9700 . ? C3 C5 1.5257(13) . ? C3 C4 1.5325(13) . ? C3 H3 0.9800 . ? C4 H4A 0.9600 . ? C4 H4B 0.9600 . ? C4 H4C 0.9600 . ? C5 H5A 0.9600 . ? C5 H5B 0.9600 . ? C5 H5C 0.9600 . ? C6 C8 1.5256(13) . ? C6 C7 1.5301(13) . ? C6 H6 0.9800 . ? C7 H7A 0.9600 . ? C7 H7B 0.9600 . ? C7 H7C 0.9600 . ? C8 H8A 0.9600 . ? C8 H8B 0.9600 . ? C8 H8C 0.9600 . ? C9 C11 1.5307(13) . ? C9 C10 1.5318(13) . ? C9 H9 0.9800 . ? C10 H10A 0.9600 . ? C10 H10B 0.9600 . ? C10 H10C 0.9600 . ? C11 H11A 0.9600 . ? C11 H11B 0.9600 . ? C11 H11C 0.9600 . ? C12 C14 1.5282(13) . ? C12 C13 1.5300(13) . ? C12 H12 0.9800 . ? C13 H13A 0.9600 . ? C13 H13B 0.9600 . ? C13 H13C 0.9600 . ? C14 H14A 0.9600 . ? C14 H14B 0.9600 . ? C14 H14C 0.9600 . ? C15 C16 1.5256(13) . ? C15 H15A 0.9700 . ? C15 H15B 0.9700 . ? C16 H16A 0.9702 . ? C16 H16B 0.9702 . ? C17 C18 1.5265(13) . ? C17 C19 1.5302(13) . ? C17 H17 0.9800 . ? C18 H18A 0.9600 . ? C18 H18B 0.9600 . ? C18 H18C 0.9600 . ? C19 H19A 0.9600 . ? C19 H19B 0.9600 . ? C19 H19C 0.9600 . ? C20 C22 1.5261(13) . ? C20 C21 1.5279(13) . ? C20 H20 0.9800 . ? C21 H21A 0.9600 . ? C21 H21B 0.9600 . ? C21 H21C 0.9600 . ? C22 H22A 0.9600 . ? C22 H22B 0.9600 . ? C22 H22C 0.9600 . ? C23 C24 1.5329(13) . ? C23 C25 1.5371(13) . ? C23 H23 0.9800 . ? C24 H24A 0.9600 . ? C24 H24B 0.9600 . ? C24 H24C 0.9600 . ? C25 H25A 0.9600 . ? C25 H25B 0.9600 . ? C25 H25C 0.9600 . ? C26 C28 1.5271(13) . ? C26 C27 1.5271(13) . ? C26 H26 0.9800 . ? C27 H27A 0.9600 . ? C27 H27B 0.9600 . ? C27 H27C 0.9600 . ? C28 H28A 0.9600 . ? C28 H28B 0.9600 . ? C28 H28C 0.9600 . ? C29 C30 1.5284(13) . ? C29 H29A 0.9700 . ? C29 H29B 0.9700 . ? C30 H30A 0.9700 . ? C30 H30B 0.9700 . ? C31 C33 1.523(9) . ? C31 C32 1.528(9) . ? C31 H31 0.9800 . ? C32 H32A 0.9600 . ? C32 H32B 0.9600 . ? C32 H32C 0.9600 . ? C33 H33A 0.9600 . ? C33 H33B 0.9600 . ? C33 H33C 0.9600 . ? C34 C36 1.5336(19) . ? C34 C35 1.5427(19) . ? C34 H34 0.9800 . ? C35 H35A 0.9600 . ? C35 H35B 0.9600 . ? C35 H35C 0.9600 . ? C36 H36A 0.9600 . ? C36 H36B 0.9600 . ? C36 H36C 0.9600 . ? C37 C38 1.5297(19) . ? C37 C39 1.5330(19) . ? C37 H37 0.9800 . ? C38 H38A 0.9600 . ? C38 H38B 0.9600 . ? C38 H38C 0.9600 . ? C39 H39A 0.9600 . ? C39 H39B 0.9600 . ? C39 H39C 0.9600 . ? C40 C42 1.5269(19) . ? C40 C41 1.5283(19) . ? C40 H40 0.9800 . ? C41 H41A 0.9600 . ? C41 H41B 0.9600 . ? C41 H41C 0.9600 . ? C42 H42A 0.9600 . ? C42 H42B 0.9600 . ? C42 H42C 0.9600 . ? 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 O30 W2 O5 W1 -149.2(18) . . . . ? O21 W2 O5 W1 -46.1(18) . . . . ? O6 W2 O5 W1 35(3) . . . . ? O12 W2 O5 W1 110.7(19) . . . . ? O1 W2 O5 W1 11.4(15) . . . . ? O3' W2 O5 W1 46.3(18) . . . . ? O30 W2 O6 W3 -154.1(18) . . . . ? O5 W2 O6 W3 21(4) . . . . ? O21 W2 O6 W3 103.2(19) . . . . ? O12 W2 O6 W3 -53.6(18) . . . . ? O1 W2 O6 W3 42.7(19) . . . . ? O3' W2 O6 W3 9.1(15) . . . . ? O31 W3 O6 W2 156.2(18) . . . . ? O7 W3 O6 W2 -31(3) . . . . ? O22 W3 O6 W2 -103.3(19) . . . . ? O13 W3 O6 W2 53.2(18) . . . . ? O2 W3 O6 W2 -43.0(19) . . . . ? O3' W3 O6 W2 -9.1(15) . . . . ? O31 W3 O7 W4 146.8(19) . . . . ? O6 W3 O7 W4 -26(3) . . . . ? O22 W3 O7 W4 45.5(19) . . . . ? O13 W3 O7 W4 -110(2) . . . . ? O2 W3 O7 W4 -12.3(17) . . . . ? O3' W3 O7 W4 -45.6(19) . . . . ? O33 W5 O8 W4 156.8(17) . . . . ? O9 W5 O8 W4 -23(3) . . . . ? O15 W5 O8 W4 55.2(18) . . . . ? O24 W5 O8 W4 -99.5(18) . . . . ? O3 W5 O8 W4 -39.1(18) . . . . ? O2' W5 O8 W4 -5.9(14) . . . . ? O33 W5 O9 W6 151(2) . . . . ? O8 W5 O9 W6 -30(4) . . . . ? O15 W5 O9 W6 -108(2) . . . . ? O24 W5 O9 W6 47(2) . . . . ? O3 W5 O9 W6 -11.0(17) . . . . ? O2' W5 O9 W6 -45(2) . . . . ? O34 W6 O9 W5 -148(2) . . . . ? O10 W6 O9 W5 31(3) . . . . ? O16 W6 O9 W5 109(2) . . . . ? O25 W6 O9 W5 -48(2) . . . . ? O4' W6 O9 W5 45(2) . . . . ? O3 W6 O9 W5 11.0(17) . . . . ? O34 W6 O10 W1 -156.7(17) . . . . ? O9 W6 O10 W1 24(3) . . . . ? O16 W6 O10 W1 -53.5(17) . . . . ? O25 W6 O10 W1 103.2(18) . . . . ? O4' W6 O10 W1 9.3(14) . . . . ? O3 W6 O10 W1 42.0(18) . . . . ? O35 W7 O11 W1 157.4(18) . . . . ? O16 W7 O11 W1 59.0(18) . . . . ? O19 W7 O11 W1 -23(4) . . . . ? O17 W7 O11 W1 -96.8(18) . . . . ? O4 W7 O11 W1 -36.6(18) . . . . ? O4' W7 O11 W1 -4.4(15) . . . . ? O36 W8 O12 W2 -159.1(18) . . . . ? O13 W8 O12 W2 -61.5(18) . . . . ? O17 W8 O12 W2 96.6(18) . . . . ? O18 W8 O12 W2 20(4) . . . . ? O3' W8 O12 W2 3.9(14) . . . . ? O4 W8 O12 W2 36.3(18) . . . . ? O36 W8 O13 W3 162.2(18) . . . . ? O12 W8 O13 W3 64.9(18) . . . . ? O17 W8 O13 W3 -17(4) . . . . ? O18 W8 O13 W3 -96.2(18) . . . . ? O3' W8 O13 W3 -2.7(15) . . . . ? O4 W8 O13 W3 -33.8(19) . . . . ? O37 W9 O14 W4 -156.0(18) . . . . ? O15 W9 O14 W4 -55(2) . . . . ? O19 W9 O14 W4 22(4) . . . . ? O18 W9 O14 W4 101.9(19) . . . . ? O2' W9 O14 W4 7.4(16) . . . . ? O4 W9 O14 W4 40(2) . . . . ? O37 W9 O15 W5 156.9(19) . . . . ? O14 W9 O15 W5 53(2) . . . . ? O19 W9 O15 W5 -105(2) . . . . ? O18 W9 O15 W5 -34(4) . . . . ? O2' W9 O15 W5 -9.3(16) . . . . ? O4 W9 O15 W5 -43(2) . . . . ? O35 W7 O16 W6 -156.9(18) . . . . ? O19 W7 O16 W6 100.1(19) . . . . ? O11 W7 O16 W6 -58.4(18) . . . . ? O17 W7 O16 W6 20(3) . . . . ? O4 W7 O16 W6 37.9(19) . . . . ? O4' W7 O16 W6 5.8(15) . . . . ? O36 W8 O17 W7 152(2) . . . . ? O12 W8 O17 W7 -110(2) . . . . ? O13 W8 O17 W7 -29(4) . . . . ? O18 W8 O17 W7 51(2) . . . . ? O3' W8 O17 W7 -42(2) . . . . ? O4 W8 O17 W7 -9.7(17) . . . . ? O36 W8 O18 W9 -158(2) . . . . ? O12 W8 O18 W9 23(4) . . . . ? O13 W8 O18 W9 104(2) . . . . ? O17 W8 O18 W9 -54(2) . . . . ? O3' W8 O18 W9 38(2) . . . . ? O4 W8 O18 W9 4.7(17) . . . . ? O35 W7 O19 W9 156(2) . . . . ? O16 W7 O19 W9 -106(2) . . . . ? O11 W7 O19 W9 -24(4) . . . . ? O17 W7 O19 W9 50(2) . . . . ? O4 W7 O19 W9 -8.4(17) . . . . ? O4' W7 O19 W9 -41(2) . . . . ? O38 W10 O20 W1 147.0(19) . . . . ? O21 W10 O20 W1 43(2) . . . . ? O26 W10 O20 W1 -34(3) . . . . ? O28 W10 O20 W1 -112(2) . . . . ? O1 W10 O20 W1 -14.2(17) . . . . ? O1' W10 O20 W1 -47(2) . . . . ? O30 W2 O21 W10 149(2) . . . . ? O5 W2 O21 W10 48(2) . . . . ? O6 W2 O21 W10 -108(2) . . . . ? O12 W2 O21 W10 -30(4) . . . . ? O1 W2 O21 W10 -11.3(19) . . . . ? O3' W2 O21 W10 -44(2) . . . . ? O38 W10 O21 W2 -149(2) . . . . ? O20 W10 O21 W2 -47(2) . . . . ? O26 W10 O21 W2 108(2) . . . . ? O28 W10 O21 W2 37(4) . . . . ? O1 W10 O21 W2 11.3(19) . . . . ? O1' W10 O21 W2 46(2) . . . . ? O39 W11 O22 W3 148(2) . . . . ? O26 W11 O22 W3 -110(2) . . . . ? O27 W11 O22 W3 -32(4) . . . . ? O23 W11 O22 W3 49(2) . . . . ? O1' W11 O22 W3 -45(2) . . . . ? O2 W11 O22 W3 -12.0(18) . . . . ? O32 W4 O23 W11 153.4(18) . . . . ? O7 W4 O23 W11 51.5(19) . . . . ? O8 W4 O23 W11 -103.1(19) . . . . ? O14 W4 O23 W11 -23(3) . . . . ? O2' W4 O23 W11 -39.5(19) . . . . ? O2 W4 O23 W11 -6.2(16) . . . . ? O40 W12 O24 W5 150(2) . . . . ? O25 W12 O24 W5 48(2) . . . . ? O28 W12 O24 W5 -33(4) . . . . ? O27 W12 O24 W5 -110(2) . . . . ? O3 W12 O24 W5 -12.0(18) . . . . ? O1' W12 O24 W5 -45(2) . . . . ? O40 W12 O25 W6 -153.6(19) . . . . ? O24 W12 O25 W6 -52(2) . . . . ? O28 W12 O25 W6 107(2) . . . . ? O27 W12 O25 W6 31(4) . . . . ? O3 W12 O25 W6 8.0(17) . . . . ? O1' W12 O25 W6 40.8(19) . . . . ? O39 W11 O26 W10 -156.7(18) . . . . ? O22 W11 O26 W10 103.3(18) . . . . ? O27 W11 O26 W10 -53.2(18) . . . . ? O23 W11 O26 W10 27(4) . . . . ? O1' W11 O26 W10 10.3(15) . . . . ? O2 W11 O26 W10 43.4(19) . . . . ? O40 W12 O27 W11 -159.5(16) . . . . ? O24 W12 O27 W11 98.6(17) . . . . ? O25 W12 O27 W11 16(3) . . . . ? O28 W12 O27 W11 -60.6(16) . . . . ? O3 W12 O27 W11 36.5(17) . . . . ? O1' W12 O27 W11 5.0(13) . . . . ? O40 W12 O28 W10 160.8(17) . . . . ? O24 W12 O28 W10 -16(4) . . . . ? O25 W12 O28 W10 -97.5(17) . . . . ? O27 W12 O28 W10 61.4(17) . . . . ? O3 W12 O28 W10 -34.7(18) . . . . ? O1' W12 O28 W10 -2.4(14) . . . . ? W6 O4' P1 O1' -60.5(18) . . . . ? W1 O4' P1 O1' 62.0(18) . . . . ? W7 O4' P1 O1' -179.2(14) . . . . ? W6 O4' P1 O2' 59.0(18) . . . . ? W1 O4' P1 O2' -178.6(15) . . . . ? W7 O4' P1 O2' -59.7(17) . . . . ? W6 O4' P1 O3' 178.5(15) . . . . ? W1 O4' P1 O3' -59.1(18) . . . . ? W7 O4' P1 O3' 59.8(17) . . . . ? W11 O1' P1 O4' -179.3(15) . . . . ? W12 O1' P1 O4' 58.6(18) . . . . ? W10 O1' P1 O4' -57.1(17) . . . . ? W11 O1' P1 O2' 61.0(18) . . . . ? W12 O1' P1 O2' -61.2(18) . . . . ? W10 O1' P1 O2' -176.9(15) . . . . ? W11 O1' P1 O3' -58.1(19) . . . . ? W12 O1' P1 O3' 179.8(15) . . . . ? W10 O1' P1 O3' 64.1(17) . . . . ? W3 O2 P1 O1 -61(2) . . . . ? W4 O2 P1 O1 177.0(19) . . . . ? W11 O2 P1 O1 61(2) . . . . ? W3 O2 P1 O4 60(2) . . . . ? W4 O2 P1 O4 -63(2) . . . . ? W11 O2 P1 O4 -179.4(18) . . . . ? W3 O2 P1 O3 179.7(19) . . . . ? W4 O2 P1 O3 57(2) . . . . ? W11 O2 P1 O3 -59(2) . . . . ? W10 O1 P1 O2 -62(2) . . . . ? W1 O1 P1 O2 177.5(19) . . . . ? W2 O1 P1 O2 58(2) . . . . ? W10 O1 P1 O4 178.0(19) . . . . ? W1 O1 P1 O4 57(2) . . . . ? W2 O1 P1 O4 -62(2) . . . . ? W10 O1 P1 O3 58(2) . . . . ? W1 O1 P1 O3 -63(2) . . . . ? W2 O1 P1 O3 178.0(18) . . . . ? W9 O2' P1 O4' 62.2(18) . . . . ? W5 O2' P1 O4' -59.3(18) . . . . ? W4 O2' P1 O4' -178.2(15) . . . . ? W9 O2' P1 O1' -177.4(15) . . . . ? W5 O2' P1 O1' 61.1(18) . . . . ? W4 O2' P1 O1' -57.8(18) . . . . ? W9 O2' P1 O3' -57.9(18) . . . . ? W5 O2' P1 O3' -179.4(15) . . . . ? W4 O2' P1 O3' 61.8(18) . . . . ? W7 O4 P1 O2 -179.5(19) . . . . ? W9 O4 P1 O2 59(2) . . . . ? W8 O4 P1 O2 -59(2) . . . . ? W7 O4 P1 O1 -60(2) . . . . ? W9 O4 P1 O1 178.7(19) . . . . ? W8 O4 P1 O1 61(2) . . . . ? W7 O4 P1 O3 60(2) . . . . ? W9 O4 P1 O3 -61(2) . . . . ? W8 O4 P1 O3 -178.9(19) . . . . ? W8 O3' P1 O4' -58.8(19) . . . . ? W3 O3' P1 O4' 178.9(15) . . . . ? W2 O3' P1 O4' 61.5(17) . . . . ? W8 O3' P1 O1' 179.8(16) . . . . ? W3 O3' P1 O1' 57.5(18) . . . . ? W2 O3' P1 O1' -59.9(17) . . . . ? W8 O3' P1 O2' 60.8(19) . . . . ? W3 O3' P1 O2' -61.5(17) . . . . ? W2 O3' P1 O2' -178.8(14) . . . . ? W12 O3 P1 O2 61(2) . . . . ? W5 O3 P1 O2 -62(2) . . . . ? W6 O3 P1 O2 -179.9(18) . . . . ? W12 O3 P1 O1 -59(2) . . . . ? W5 O3 P1 O1 178.5(19) . . . . ? W6 O3 P1 O1 60(2) . . . . ? W12 O3 P1 O4 -179(2) . . . . ? W5 O3 P1 O4 58(2) . . . . ? W6 O3 P1 O4 -60(2) . . . . ? Nd1 O41 P2 O43 156(2) . . . . ? Nd1 O41 P2 O42 -82(3) . . . . ? Nd1 O41 P2 C1 36(3) . . . . ? C6 O43 P2 O41 -167.2(16) . . . . ? C6 O43 P2 O42 67.5(19) . . . . ? C6 O43 P2 C1 -43.2(18) . . . . ? C3 O42 P2 O41 -57(2) . . . . ? C3 O42 P2 O43 62.9(18) . . . . ? C3 O42 P2 C1 178.7(13) . . . . ? Nd1 O47 P4 O49 -113(2) . . . . ? Nd1 O47 P4 O48 124(2) . . . . ? Nd1 O47 P4 C15 9(3) . . . . ? C20 O49 P4 O47 -13(2) . . . . ? C20 O49 P4 O48 108.6(16) . . . . ? C20 O49 P4 C15 -140.4(14) . . . . ? C17 O48 P4 O47 140.9(16) . . . . ? C17 O48 P4 O49 14(2) . . . . ? C17 O48 P4 C15 -97.4(16) . . . . ? Nd1 O50 P5 O52 -84(3) . . . . ? Nd1 O50 P5 O51 160(3) . . . . ? Nd1 O50 P5 C16 40(3) . . . . ? C26 O52 P5 O50 175.8(13) . . . . ? C26 O52 P5 O51 -61.7(16) . . . . ? C26 O52 P5 C16 50.6(15) . . . . ? C23 O51 P5 O50 -53(2) . . . . ? C23 O51 P5 O52 -171.3(17) . . . . ? C23 O51 P5 C16 71.7(18) . . . . ? Nd1 O53 P6 O54 104(3) . . . . ? Nd1 O53 P6 O55 -134(2) . . . . ? Nd1 O53 P6 C29 -18(3) . . . . ? C31 O54 P6 O53 -176(2) . . . . ? C31 O54 P6 O55 59(3) . . . . ? C31 O54 P6 C29 -51(2) . . . . ? C34 O55 P6 O53 -68.1(19) . . . . ? C34 O55 P6 O54 54.5(19) . . . . ? C34 O55 P6 C29 169.3(14) . . . . ? Nd1 O44 P3 O45 138(2) . . . . ? Nd1 O44 P3 O46 -100(3) . . . . ? Nd1 O44 P3 C2 17(3) . . . . ? C9 O45 P3 O44 -178.8(14) . . . . ? C9 O45 P3 O46 56.3(16) . . . . ? C9 O45 P3 C2 -57.7(15) . . . . ? C12 O46 P3 O44 -54(2) . . . . ? C12 O46 P3 O45 66.4(17) . . . . ? C12 O46 P3 C2 -175.4(13) . . . . ? Nd1 O56 P7 O58 -80(3) . . . . ? Nd1 O56 P7 O57 158(2) . . . . ? Nd1 O56 P7 C30 41(3) . . . . ? C40 O58 P7 O56 -170.7(13) . . . . ? C40 O58 P7 O57 -46.4(16) . . . . ? C40 O58 P7 C30 64.1(14) . . . . ? C37 O57 P7 O56 42.7(18) . . . . ? C37 O57 P7 O58 -80.1(15) . . . . ? C37 O57 P7 C30 166.2(11) . . . . ? O41 P2 C1 C2 50.6(11) . . . . ? O43 P2 C1 C2 -68.2(8) . . . . ? O42 P2 C1 C2 175.5(8) . . . . ? P2 C1 C2 P3 -105.4(5) . . . . ? O44 P3 C2 C1 59.8(10) . . . . ? O45 P3 C2 C1 -58.9(9) . . . . ? O46 P3 C2 C1 -176.8(8) . . . . ? P2 O42 C3 C5 82.0(16) . . . . ? P2 O42 C3 C4 -160.2(13) . . . . ? P2 O43 C6 C8 155.1(13) . . . . ? P2 O43 C6 C7 -81.2(16) . . . . ? P3 O45 C9 C11 -112.1(12) . . . . ? P3 O45 C9 C10 128.8(12) . . . . ? P3 O46 C12 C14 -151.2(11) . . . . ? P3 O46 C12 C13 86.4(15) . . . . ? O47 P4 C15 C16 -76.2(11) . . . . ? O49 P4 C15 C16 52.1(9) . . . . ? O48 P4 C15 C16 166.6(8) . . . . ? P4 C15 C16 P5 91.3(6) . . . . ? O50 P5 C16 C15 -51.1(10) . . . . ? O52 P5 C16 C15 71.0(9) . . . . ? O51 P5 C16 C15 -176.9(6) . . . . ? P4 O48 C17 C18 87.5(16) . . . . ? P4 O48 C17 C19 -150.0(13) . . . . ? P4 O49 C20 C22 124.7(13) . . . . ? P4 O49 C20 C21 -110.3(14) . . . . ? P5 O51 C23 C24 -0.1(19) . . . . ? P5 O51 C23 C25 117.5(15) . . . . ? P5 O52 C26 C28 101.8(13) . . . . ? P5 O52 C26 C27 -138.9(11) . . . . ? O53 P6 C29 C30 -60.4(10) . . . . ? O54 P6 C29 C30 176.7(7) . . . . ? O55 P6 C29 C30 61.9(8) . . . . ? P6 C29 C30 P7 90.5(6) . . . . ? O56 P7 C30 C29 -58.0(10) . . . . ? O58 P7 C30 C29 64.7(9) . . . . ? O57 P7 C30 C29 179.4(7) . . . . ? P6 O54 C31 C33 -33(3) . . . . ? P6 O54 C31 C32 -166.7(19) . . . . ? P6 O55 C34 C36 79.0(15) . . . . ? P6 O55 C34 C35 -34.7(17) . . . . ? P7 O57 C37 C38 -98.5(12) . . . . ? P7 O57 C37 C39 141.6(11) . . . . ? P7 O58 C40 C42 -118.7(12) . . . . ? P7 O58 C40 C41 122.7(12) . . . . ?