#------------------------------------------------------------------------------ #$Date: 2017-11-14 10:19:15 +0200 (Tue, 14 Nov 2017) $ #$Revision: 203153 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/54/80/1548028.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_1548028 loop_ _publ_author_name 'Elizabeth P. Wildman' 'Gabor Balazs' 'Ashley J. Wooles' 'Manfred Scheer' 'Stephen T. Liddle' _publ_section_title ; Thorium-phosphorus triamidoamine complexes containing Th-P single- and multiple-bond interactions ; _journal_name_full 'Nature Communications' _journal_page_first 12884 _journal_paper_doi 10.1038/ncomms12884 _journal_volume 7 _journal_year 2016 _chemical_formula_moiety 'C33 H76 N4 P Si3 Th, C16 H32 Na O8, C7 H8' _chemical_formula_sum 'C56 H116 N4 Na O8 P Si3 Th' _chemical_formula_weight 1343.79 _space_group_crystal_system orthorhombic _space_group_IT_number 19 _space_group_name_Hall 'P 2ac 2ab' _space_group_name_H-M_alt 'P 21 21 21' _symmetry_space_group_name_Hall 'P 2ac 2ab' _symmetry_space_group_name_H-M 'P 21 21 21' _atom_sites_solution_hydrogens mixed _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 13.5631(5) _cell_length_b 21.2452(7) _cell_length_c 23.4879(8) _cell_measurement_reflns_used 12242 _cell_measurement_temperature 150(2) _cell_measurement_theta_max 28.4910 _cell_measurement_theta_min 3.5970 _cell_volume 6768.1(4) _computing_cell_refinement 'CrysAlisPro 1.171.38.41q (Rigaku OD, 2015)' _computing_data_collection 'CrysAlisPro 1.171.38.41q (Rigaku OD, 2015)' _computing_data_reduction 'CrysAlisPro 1.171.38.41q (Rigaku OD, 2015)' _computing_molecular_graphics 'Olex2 (Dolomanov et al., 2009)' _computing_publication_material 'Olex2 (Dolomanov et al., 2009)' _computing_structure_refinement 'ShelXL (Sheldrick, 2015)' _computing_structure_solution 'ShelXT (Sheldrick, 2015)' _diffrn_ambient_environment N~2~ _diffrn_ambient_temperature 150(2) _diffrn_detector 'CCD plate' _diffrn_detector_area_resol_mean 8.0714 _diffrn_detector_type Eos _diffrn_measured_fraction_theta_full 0.997 _diffrn_measured_fraction_theta_max 0.895 _diffrn_measurement_details ; List of Runs (angles in degrees, time in seconds): # Type Start End Width t~exp~ \w \q \k \f Frames -------------------------------------------------------------------------- 1 \w -10.00 88.00 1.00 75.00 -- 18.86 77.00 60.00 98 2 \w -22.00 28.00 1.00 75.00 -- 18.86 -19.00 90.00 50 3 \w 17.00 43.00 1.00 75.00 -- 18.86 57.00 -30.00 26 4 \w -43.00 46.00 1.00 75.00 -- 18.86 -77.00 -60.00 89 ; _diffrn_measurement_device 'four-circle diffractometer' _diffrn_measurement_device_type 'SuperNova, Single source at offset, Eos' _diffrn_measurement_method '\w scans' _diffrn_orient_matrix_type 'CrysAlisPro convention (1999,Acta A55,543-557)' _diffrn_orient_matrix_UB_11 -0.0034392000 _diffrn_orient_matrix_UB_12 -0.0324128000 _diffrn_orient_matrix_UB_13 0.0069398000 _diffrn_orient_matrix_UB_21 -0.0017126000 _diffrn_orient_matrix_UB_22 0.0077442000 _diffrn_orient_matrix_UB_23 0.0293616000 _diffrn_orient_matrix_UB_31 -0.0521584000 _diffrn_orient_matrix_UB_32 0.0018894000 _diffrn_orient_matrix_UB_33 -0.0014159000 _diffrn_radiation_monochromator mirror _diffrn_radiation_probe x-ray _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0496 _diffrn_reflns_av_unetI/netI 0.0713 _diffrn_reflns_Laue_measured_fraction_full 0.997 _diffrn_reflns_Laue_measured_fraction_max 0.895 _diffrn_reflns_limit_h_max 18 _diffrn_reflns_limit_h_min -17 _diffrn_reflns_limit_k_max 27 _diffrn_reflns_limit_k_min -25 _diffrn_reflns_limit_l_max 31 _diffrn_reflns_limit_l_min -30 _diffrn_reflns_number 37272 _diffrn_reflns_point_group_measured_fraction_full 0.969 _diffrn_reflns_point_group_measured_fraction_max 0.831 _diffrn_reflns_theta_full 26.000 _diffrn_reflns_theta_max 29.196 _diffrn_reflns_theta_min 3.270 _diffrn_source 'micro-focus sealed X-ray tube' _diffrn_source_type 'SuperNova (Mo) X-ray Source' _exptl_absorpt_coefficient_mu 2.335 _exptl_absorpt_correction_T_max 0.902 _exptl_absorpt_correction_T_min 0.730 _exptl_absorpt_correction_type gaussian _exptl_absorpt_process_details ; CrysAlisPro 1.171.38.41q (Rigaku Oxford Diffraction, 2015) Numerical absorption correction based on gaussian integration over a multifaceted crystal model Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm. ; _exptl_crystal_colour 'clear yellow' _exptl_crystal_colour_lustre clear _exptl_crystal_colour_primary yellow _exptl_crystal_density_diffrn 1.319 _exptl_crystal_description plate _exptl_crystal_F_000 2808 _exptl_crystal_size_max 0.221 _exptl_crystal_size_mid 0.125 _exptl_crystal_size_min 0.054 _refine_diff_density_max 1.445 _refine_diff_density_min -0.887 _refine_diff_density_rms 0.102 _refine_ls_abs_structure_details ; Flack x determined using 4803 quotients [(I+)-(I-)]/[(I+)+(I-)] (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259). ; _refine_ls_abs_structure_Flack -0.017(3) _refine_ls_extinction_coef . _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.010 _refine_ls_hydrogen_treatment mixed _refine_ls_matrix_type full _refine_ls_number_parameters 690 _refine_ls_number_reflns 15240 _refine_ls_number_restraints 2 _refine_ls_restrained_S_all 1.010 _refine_ls_R_factor_all 0.0510 _refine_ls_R_factor_gt 0.0377 _refine_ls_shift/su_max 0.004 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0199P)^2^] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0621 _refine_ls_wR_factor_ref 0.0659 _reflns_Friedel_coverage 0.708 _reflns_Friedel_fraction_full 0.935 _reflns_Friedel_fraction_max 0.754 _reflns_number_gt 13187 _reflns_number_total 15240 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file ncomms12884-s4.cif _cod_data_source_block 3 _cod_original_cell_volume 6768.0(4) _cod_database_code 1548028 _chemical_oxdiff_formula 'Th Si6 N8 P Na C75 H168' _chemical_oxdiff_usercomment 'astl for EW/STL' _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. ; _reflns_odcompleteness_completeness 99.63 _reflns_odcompleteness_iscentric 1 _reflns_odcompleteness_theta 26.32 _olex2_refinement_description ; 1. Fixed Uiso At 1.2 times of: All C(H) groups, All C(H,H) groups At 1.5 times of: All C(H,H,H) groups 2. Restrained distances P1-H1 1.466 with sigma of 0.001 Th1-H1 2.58 with sigma of 0.001 3.a Ternary CH refined with riding coordinates: C1(H1A), C4(H4), C7(H7), C12(H12), C15(H15), C18(H18), C23(H23), C26(H26), C29(H29) 3.b Secondary CH2 refined with riding coordinates: C10(H10A,H10B), C11(H11A,H11B), C21(H21A,H21B), C22(H22A,H22B), C32(H32A, H32B), C33(H33A,H33B), C34(H34A,H34B), C35(H35A,H35B), C36(H36A,H36B), C37(H37A,H37B), C38(H38A,H38B), C39(H39A,H39B), C40(H40A,H40B), C41(H41A,H41B), C42(H42A,H42B), C43(H43A,H43B), C44(H44A,H44B), C45(H45A,H45B), C46(H46A, H46B), C47(H47A,H47B), C48(H48A,H48B), C49(H49A,H49B) 3.c Aromatic/amide H refined with riding coordinates: C52(H52), C56(H56), C53(H53), C55(H55), C54(H54) 3.d Idealised Me refined as rotating group: C2(H2A,H2B,H2C), C3(H3A,H3B,H3C), C5(H5A,H5B,H5C), C6(H6A,H6B,H6C), C8(H8A, H8B,H8C), C9(H9A,H9B,H9C), C13(H13A,H13B,H13C), C14(H14A,H14B,H14C), C16(H16A, H16B,H16C), C17(H17A,H17B,H17C), C19(H19A,H19B,H19C), C20(H20A,H20B,H20C), C24(H24A,H24B,H24C), C25(H25A,H25B,H25C), C27(H27A,H27B,H27C), C28(H28A,H28B, H28C), C30(H30A,H30B,H30C), C31(H31A,H31B,H31C), C50(H50A,H50B,H50C) ; _shelx_res_file ; thew7.res created by SHELXL-2014/7 TITL thew7_a.res in P2(1)2(1)2(1) REM Old TITL THEW7 in P212121 #19 REM SHELXT solution in P2(1)2(1)2(1) REM R1 0.075, Rweak 0.031, Alpha 0.008, Orientation as input REM Flack x = 0.012 ( 0.004 ) from Parsons' quotients REM Formula found by SHELXT: C62 N26 Na10 Si2 P3 Th REM EXTI 0.00000(14) CELL 0.71073 13.563071 21.24523 23.487887 90 90 90 ZERR 4 0.000491 0.000695 0.000795 0 0 0 LATT -1 SYMM 0.5-X,-Y,0.5+Z SYMM -X,0.5+Y,0.5-Z SYMM 0.5+X,0.5-Y,-Z SFAC C H N Na O P Si Th UNIT 224 464 16 4 32 4 12 4 DFIX 1.466 0.001 P1 H1 DFIX 2.58 0.001 Th1 H1 L.S. 16 PLAN 80 TEMP -123(2) FREE Th1 H1 BOND $H LIST 6 MORE -1 CONF fmap 2 acta 52 OMIT 9 0 5 REM REM REM WGHT 0.019900 FVAR 0.20492 TH1 8 0.772362 0.640519 0.809475 11.00000 0.02096 0.02084 = 0.01395 0.00250 -0.00104 -0.00141 P1 6 0.764729 0.669398 0.695061 11.00000 0.04185 0.05371 = 0.02049 0.01083 -0.00453 -0.00731 H1 2 0.833784 0.618128 0.707501 11.00000 0.03510 SI1 7 1.050602 0.647972 0.813563 11.00000 0.02126 0.03609 = 0.02775 0.00413 -0.00106 -0.00129 SI2 7 0.655847 0.479815 0.800593 11.00000 0.02603 0.02090 = 0.02443 0.00481 -0.00226 -0.00324 SI3 7 0.614406 0.777520 0.846222 11.00000 0.03033 0.02029 = 0.01769 -0.00053 0.00099 0.00146 N1 3 0.937287 0.622827 0.837632 11.00000 0.02398 0.02880 = 0.01799 0.00189 -0.00141 0.00222 N2 3 0.683813 0.549148 0.835369 11.00000 0.02472 0.02010 = 0.02117 0.00335 0.00188 -0.00262 N3 3 0.709069 0.726860 0.861535 11.00000 0.02761 0.02220 = 0.01835 -0.00115 -0.00589 -0.00530 N4 3 0.782509 0.619649 0.925440 11.00000 0.02715 0.02190 = 0.01527 0.00517 -0.00070 -0.00244 C1 1 1.109894 0.587510 0.763623 11.00000 0.02898 0.03893 = 0.06421 0.00835 0.01240 -0.00299 AFIX 13 H1A 2 1.177067 0.603442 0.753604 11.00000 -1.20000 AFIX 0 C2 1 1.051635 0.580315 0.707597 11.00000 0.05991 0.06100 = 0.04761 -0.01165 0.02827 -0.00603 AFIX 137 H2A 2 0.982380 0.571294 0.716255 11.00000 -1.50000 H2B 2 1.079483 0.545628 0.685283 11.00000 -1.50000 H2C 2 1.056030 0.619451 0.685658 11.00000 -1.50000 AFIX 0 C3 1 1.122931 0.523334 0.792139 11.00000 0.05712 0.04384 = 0.10208 0.00624 0.02472 0.01459 AFIX 137 H3A 2 1.162639 0.528158 0.826723 11.00000 -1.50000 H3B 2 1.156361 0.494574 0.765843 11.00000 -1.50000 H3C 2 1.058147 0.506147 0.802124 11.00000 -1.50000 AFIX 0 C4 1 1.033427 0.722414 0.769603 11.00000 0.03130 0.03444 = 0.03222 0.00230 0.00168 -0.00518 AFIX 13 H4 2 0.994377 0.709636 0.735389 11.00000 -1.20000 AFIX 0 C5 1 1.132587 0.747493 0.746705 11.00000 0.03685 0.04789 = 0.04998 0.01772 0.00282 -0.00618 AFIX 137 H5A 2 1.175637 0.758396 0.778729 11.00000 -1.50000 H5B 2 1.120809 0.785017 0.723411 11.00000 -1.50000 H5C 2 1.164279 0.714989 0.723433 11.00000 -1.50000 AFIX 0 C6 1 0.974506 0.775195 0.798246 11.00000 0.05968 0.04193 = 0.05841 0.01540 0.00785 0.00598 AFIX 137 H6A 2 0.908706 0.759654 0.808222 11.00000 -1.50000 H6B 2 0.968365 0.810830 0.771991 11.00000 -1.50000 H6C 2 1.008770 0.788851 0.832841 11.00000 -1.50000 AFIX 0 C7 1 1.138891 0.660682 0.875783 11.00000 0.03504 0.08501 = 0.05758 0.01543 -0.01461 -0.01909 AFIX 13 H7 2 1.126258 0.623819 0.901232 11.00000 -1.20000 AFIX 0 C8 1 1.115824 0.717090 0.912972 11.00000 0.06695 0.13195 = 0.03859 -0.01184 -0.00846 -0.04542 AFIX 137 H8A 2 1.143171 0.755170 0.895503 11.00000 -1.50000 H8B 2 1.145179 0.711027 0.950700 11.00000 -1.50000 H8C 2 1.044207 0.721549 0.916758 11.00000 -1.50000 AFIX 0 C9 1 1.247378 0.655131 0.861337 11.00000 0.04197 0.14624 = 0.10242 0.02343 -0.03391 -0.01565 AFIX 137 H9A 2 1.258257 0.617219 0.838415 11.00000 -1.50000 H9B 2 1.285879 0.652319 0.896552 11.00000 -1.50000 H9C 2 1.268190 0.692265 0.839698 11.00000 -1.50000 AFIX 0 C10 1 0.936656 0.578460 0.886876 11.00000 0.01846 0.03540 = 0.03127 0.01013 0.00142 0.00353 AFIX 23 H10A 2 1.005258 0.566766 0.896643 11.00000 -1.20000 H10B 2 0.900927 0.539589 0.876165 11.00000 -1.20000 AFIX 0 C11 1 0.887437 0.608057 0.938356 11.00000 0.02720 0.02727 = 0.01811 0.00334 -0.00593 0.00328 AFIX 23 H11A 2 0.893139 0.579545 0.971531 11.00000 -1.20000 H11B 2 0.920471 0.648239 0.947932 11.00000 -1.20000 AFIX 0 C12 1 0.668438 0.404509 0.844804 11.00000 0.04012 0.02614 = 0.04467 0.01353 -0.00407 -0.00329 AFIX 13 H12 2 0.686429 0.371556 0.816233 11.00000 -1.20000 AFIX 0 C13 1 0.754635 0.403936 0.887066 11.00000 0.04841 0.03361 = 0.05879 0.02476 -0.01702 -0.00171 AFIX 137 H13A 2 0.811376 0.425573 0.870206 11.00000 -1.50000 H13B 2 0.772599 0.360326 0.895855 11.00000 -1.50000 H13C 2 0.735006 0.425544 0.922143 11.00000 -1.50000 AFIX 0 C14 1 0.576352 0.378253 0.873779 11.00000 0.05265 0.03765 = 0.04432 0.01793 -0.00369 -0.01796 AFIX 137 H14A 2 0.553379 0.408042 0.902742 11.00000 -1.50000 H14B 2 0.592165 0.337926 0.891861 11.00000 -1.50000 H14C 2 0.524444 0.371948 0.845321 11.00000 -1.50000 AFIX 0 C15 1 0.745046 0.471313 0.739349 11.00000 0.04070 0.02204 = 0.02750 -0.00316 0.00502 -0.00672 AFIX 13 H15 2 0.738807 0.510214 0.715653 11.00000 -1.20000 AFIX 0 C16 1 0.854005 0.466686 0.757906 11.00000 0.03868 0.05120 = 0.04396 -0.00971 0.00967 -0.01386 AFIX 137 H16A 2 0.870538 0.502715 0.782149 11.00000 -1.50000 H16B 2 0.896432 0.466841 0.724133 11.00000 -1.50000 H16C 2 0.864208 0.427567 0.779216 11.00000 -1.50000 AFIX 0 C17 1 0.721853 0.414838 0.699948 11.00000 0.04886 0.04661 = 0.05157 -0.02149 0.01022 -0.01092 AFIX 137 H17A 2 0.730206 0.375494 0.721189 11.00000 -1.50000 H17B 2 0.766946 0.415256 0.667350 11.00000 -1.50000 H17C 2 0.653720 0.418000 0.686356 11.00000 -1.50000 AFIX 0 C18 1 0.525890 0.479295 0.770382 11.00000 0.02904 0.01983 = 0.04013 -0.00130 -0.00935 -0.00444 AFIX 13 H18 2 0.509925 0.434487 0.761164 11.00000 -1.20000 AFIX 0 C19 1 0.447908 0.501682 0.812395 11.00000 0.02372 0.03944 = 0.05429 0.00016 -0.01157 -0.00371 AFIX 137 H19A 2 0.446172 0.473199 0.845199 11.00000 -1.50000 H19B 2 0.383275 0.501933 0.793744 11.00000 -1.50000 H19C 2 0.464087 0.544322 0.825281 11.00000 -1.50000 AFIX 0 C20 1 0.516409 0.516599 0.714454 11.00000 0.05652 0.03264 = 0.04413 0.00025 -0.01978 0.00565 AFIX 137 H20A 2 0.536235 0.560376 0.720923 11.00000 -1.50000 H20B 2 0.447813 0.515418 0.701387 11.00000 -1.50000 H20C 2 0.559143 0.497747 0.685451 11.00000 -1.50000 AFIX 0 C21 1 0.641559 0.555929 0.893260 11.00000 0.02133 0.03613 = 0.02201 0.00238 -0.00332 -0.00460 AFIX 23 H21A 2 0.601728 0.518191 0.902337 11.00000 -1.20000 H21B 2 0.597244 0.592946 0.894082 11.00000 -1.20000 AFIX 0 C22 1 0.721135 0.563916 0.938023 11.00000 0.03061 0.03508 = 0.01639 0.00511 0.00111 -0.00839 AFIX 23 H22A 2 0.690222 0.568824 0.975946 11.00000 -1.20000 H22B 2 0.763217 0.525855 0.938949 11.00000 -1.20000 AFIX 0 C23 1 0.659032 0.857252 0.820120 11.00000 0.04421 0.02031 = 0.02537 0.00508 0.00645 -0.00078 AFIX 13 H23 2 0.600729 0.886035 0.818962 11.00000 -1.20000 AFIX 0 C24 1 0.734604 0.886167 0.860483 11.00000 0.07952 0.03474 = 0.05311 -0.00484 0.00266 -0.02391 AFIX 137 H24A 2 0.707259 0.887621 0.899081 11.00000 -1.50000 H24B 2 0.750465 0.928958 0.847877 11.00000 -1.50000 H24C 2 0.794640 0.860501 0.860422 11.00000 -1.50000 AFIX 0 C25 1 0.702191 0.854328 0.759933 11.00000 0.05497 0.03502 = 0.04138 0.00132 0.01929 -0.00753 AFIX 137 H25A 2 0.761060 0.827582 0.760007 11.00000 -1.50000 H25B 2 0.720066 0.896838 0.747452 11.00000 -1.50000 H25C 2 0.653068 0.836692 0.733823 11.00000 -1.50000 AFIX 0 C26 1 0.538362 0.795279 0.912465 11.00000 0.03528 0.03740 = 0.01577 -0.00362 0.00126 0.00457 AFIX 13 H26 2 0.586819 0.806862 0.942795 11.00000 -1.20000 AFIX 0 C27 1 0.468876 0.851684 0.906719 11.00000 0.07014 0.03870 = 0.03881 -0.00583 0.02117 0.01374 AFIX 137 H27A 2 0.506511 0.888707 0.894588 11.00000 -1.50000 H27B 2 0.437628 0.860218 0.943538 11.00000 -1.50000 H27C 2 0.417997 0.842245 0.878350 11.00000 -1.50000 AFIX 0 C28 1 0.479523 0.739813 0.936056 11.00000 0.04543 0.05160 = 0.03842 0.01170 0.02007 0.01387 AFIX 137 H28A 2 0.421611 0.732425 0.912016 11.00000 -1.50000 H28B 2 0.458147 0.749354 0.974966 11.00000 -1.50000 H28C 2 0.521054 0.702067 0.936323 11.00000 -1.50000 AFIX 0 C29 1 0.539422 0.741651 0.786283 11.00000 0.02887 0.02553 = 0.02081 -0.00180 -0.00143 0.00624 AFIX 13 H29 2 0.584295 0.739283 0.752569 11.00000 -1.20000 AFIX 0 C30 1 0.451614 0.782696 0.768213 11.00000 0.05712 0.02977 = 0.04045 -0.00674 -0.02154 0.00823 AFIX 137 H30A 2 0.398312 0.778311 0.796102 11.00000 -1.50000 H30B 2 0.428148 0.769136 0.730706 11.00000 -1.50000 H30C 2 0.472354 0.826833 0.766302 11.00000 -1.50000 AFIX 0 C31 1 0.502467 0.674723 0.796867 11.00000 0.03379 0.02999 = 0.03769 -0.00308 -0.00810 0.00144 AFIX 137 H31A 2 0.558873 0.646656 0.802819 11.00000 -1.50000 H31B 2 0.464524 0.660351 0.763825 11.00000 -1.50000 H31C 2 0.460301 0.674238 0.830747 11.00000 -1.50000 AFIX 0 C32 1 0.762264 0.734130 0.915942 11.00000 0.02731 0.03261 = 0.02838 -0.00409 -0.00760 0.00000 AFIX 23 H32A 2 0.739079 0.772640 0.935537 11.00000 -1.20000 H32B 2 0.833689 0.738865 0.908384 11.00000 -1.20000 AFIX 0 C33 1 0.745310 0.677132 0.954249 11.00000 0.02964 0.04004 = 0.01678 -0.00359 0.00045 -0.00196 AFIX 23 H33A 2 0.780246 0.683094 0.990862 11.00000 -1.20000 H33B 2 0.674039 0.672547 0.962349 11.00000 -1.20000 AFIX 0 NA1 4 0.384754 0.655225 0.496816 11.00000 0.02436 0.02778 = 0.01996 0.00273 -0.00090 0.00148 O1 5 0.318285 0.666135 0.593662 11.00000 0.02359 0.03226 = 0.02140 0.00258 -0.00294 0.00170 O5 5 0.402682 0.772717 0.490265 11.00000 0.01895 0.03177 = 0.02843 -0.00017 -0.00429 0.00102 O7 5 0.317151 0.618587 0.405475 11.00000 0.02728 0.02886 = 0.02198 0.00085 -0.00327 0.00184 O2 5 0.518862 0.659938 0.568196 11.00000 0.02797 0.02869 = 0.02145 0.00280 -0.00134 0.00244 O6 5 0.496933 0.685179 0.419013 11.00000 0.02539 0.03248 = 0.02401 0.00109 0.00195 0.00093 O3 5 0.486221 0.554886 0.498173 11.00000 0.02684 0.03442 = 0.02692 0.00247 0.00104 0.00033 O4 5 0.283012 0.562014 0.524661 11.00000 0.03165 0.02862 = 0.02683 0.00598 0.00539 0.00381 O8 5 0.224644 0.705507 0.477799 11.00000 0.02625 0.02671 = 0.02152 0.00035 -0.00220 0.00106 C34 1 0.252787 0.560238 0.582153 11.00000 0.03721 0.04074 = 0.02453 0.00965 0.00274 -0.00838 AFIX 23 H34A 2 0.305261 0.541543 0.606079 11.00000 -1.20000 H34B 2 0.192516 0.534323 0.586132 11.00000 -1.20000 AFIX 0 C35 1 0.232528 0.626856 0.600609 11.00000 0.02807 0.03938 = 0.03111 0.00237 0.00442 0.00208 AFIX 23 H35A 2 0.177526 0.644200 0.577768 11.00000 -1.20000 H35B 2 0.212179 0.627053 0.641087 11.00000 -1.20000 AFIX 0 C36 1 0.387769 0.660092 0.638675 11.00000 0.03682 0.04398 = 0.01717 -0.00238 0.00268 0.00450 AFIX 23 H36A 2 0.397962 0.615128 0.648047 11.00000 -1.20000 H36B 2 0.363439 0.681934 0.673155 11.00000 -1.20000 AFIX 0 C37 1 0.482820 0.689141 0.619016 11.00000 0.03506 0.03296 = 0.02689 -0.00523 0.00100 -0.00123 AFIX 23 H37A 2 0.472355 0.734573 0.611850 11.00000 -1.20000 H37B 2 0.532865 0.684995 0.649469 11.00000 -1.20000 AFIX 0 C38 1 0.572498 0.602985 0.578520 11.00000 0.03312 0.03503 = 0.03408 0.00184 -0.00991 0.00475 AFIX 23 H38A 2 0.537274 0.576597 0.606682 11.00000 -1.20000 H38B 2 0.638911 0.612717 0.593631 11.00000 -1.20000 AFIX 0 C39 1 0.580676 0.568999 0.522797 11.00000 0.02617 0.03656 = 0.04168 -0.00447 0.00647 0.00522 AFIX 23 H39A 2 0.618879 0.595219 0.495826 11.00000 -1.20000 H39B 2 0.617385 0.529249 0.528672 11.00000 -1.20000 AFIX 0 C40 1 0.437570 0.503443 0.523307 11.00000 0.04110 0.02633 = 0.04559 0.00414 0.00130 0.00566 AFIX 23 H40A 2 0.442248 0.506045 0.565304 11.00000 -1.20000 H40B 2 0.468228 0.463480 0.510794 11.00000 -1.20000 AFIX 0 C41 1 0.331480 0.505708 0.505000 11.00000 0.04461 0.02646 = 0.03484 0.00107 0.00158 -0.00204 AFIX 23 H41A 2 0.328029 0.503946 0.462928 11.00000 -1.20000 H41B 2 0.296513 0.468431 0.520232 11.00000 -1.20000 AFIX 0 C42 1 0.213391 0.630207 0.404170 11.00000 0.03002 0.03662 = 0.02692 0.00121 -0.00889 -0.00858 AFIX 23 H42A 2 0.179782 0.600678 0.430371 11.00000 -1.20000 H42B 2 0.188197 0.622360 0.365252 11.00000 -1.20000 AFIX 0 C43 1 0.189632 0.696615 0.421237 11.00000 0.02242 0.04348 = 0.02987 0.00321 -0.00571 0.00440 AFIX 23 H43A 2 0.222124 0.726691 0.395075 11.00000 -1.20000 H43B 2 0.117551 0.703735 0.419612 11.00000 -1.20000 AFIX 0 C44 1 0.229483 0.769936 0.495880 11.00000 0.02496 0.02487 = 0.03227 -0.00001 0.00594 0.00483 AFIX 23 H44A 2 0.233486 0.771312 0.537948 11.00000 -1.20000 H44B 2 0.168121 0.791703 0.484332 11.00000 -1.20000 AFIX 0 C45 1 0.315984 0.804274 0.471401 11.00000 0.02756 0.02277 = 0.03416 0.00033 -0.00568 0.00194 AFIX 23 H45A 2 0.312674 0.804056 0.429295 11.00000 -1.20000 H45B 2 0.316300 0.848527 0.484604 11.00000 -1.20000 AFIX 0 C46 1 0.488783 0.788043 0.457896 11.00000 0.01972 0.03346 = 0.04071 0.00675 0.00127 -0.00335 AFIX 23 H46A 2 0.548162 0.779739 0.481230 11.00000 -1.20000 H46B 2 0.487822 0.833471 0.448524 11.00000 -1.20000 AFIX 0 C47 1 0.494893 0.750552 0.403745 11.00000 0.03027 0.03847 = 0.03269 0.00736 0.00483 -0.00096 AFIX 23 H47A 2 0.437046 0.759460 0.379335 11.00000 -1.20000 H47B 2 0.555329 0.761848 0.382432 11.00000 -1.20000 AFIX 0 C48 1 0.476578 0.643572 0.372649 11.00000 0.03813 0.03700 = 0.02216 0.00017 0.00828 0.00753 AFIX 23 H48A 2 0.498664 0.600640 0.382941 11.00000 -1.20000 H48B 2 0.515018 0.657215 0.339010 11.00000 -1.20000 AFIX 0 C49 1 0.368780 0.641454 0.357037 11.00000 0.03922 0.03583 = 0.02071 -0.00805 -0.00083 0.00074 AFIX 23 H49A 2 0.345054 0.684036 0.346772 11.00000 -1.20000 H49B 2 0.358317 0.613147 0.324105 11.00000 -1.20000 AFIX 0 C52 1 1.003159 0.510085 0.517469 11.00000 0.06524 0.05001 = 0.04759 0.01126 -0.02188 -0.01903 AFIX 43 H52 2 0.995099 0.552402 0.505254 11.00000 -1.20000 AFIX 0 C56 1 0.964791 0.426231 0.580152 11.00000 0.07422 0.04901 = 0.05602 0.01064 -0.00390 0.00796 AFIX 43 H56 2 0.928153 0.409359 0.611061 11.00000 -1.20000 AFIX 0 C53 1 1.069312 0.471063 0.489630 11.00000 0.06297 0.09081 = 0.04385 0.00138 -0.01162 -0.02663 AFIX 43 H53 2 1.104315 0.486564 0.457524 11.00000 -1.20000 AFIX 0 C51 1 0.948747 0.487619 0.563039 11.00000 0.05764 0.05102 = 0.05420 -0.00390 -0.01469 -0.00403 C50 1 0.874297 0.527204 0.590882 11.00000 0.11032 0.06331 = 0.07407 -0.00315 -0.02040 0.01408 AFIX 137 H50A 2 0.904981 0.566441 0.603817 11.00000 -1.50000 H50B 2 0.846700 0.504722 0.623644 11.00000 -1.50000 H50C 2 0.821503 0.536878 0.563772 11.00000 -1.50000 AFIX 0 C55 1 1.032677 0.389740 0.553071 11.00000 0.08768 0.05609 = 0.06251 0.00263 0.00270 0.00014 AFIX 43 H55 2 1.044346 0.348078 0.566125 11.00000 -1.20000 AFIX 0 C54 1 1.084703 0.412316 0.507025 11.00000 0.05935 0.07862 = 0.06160 -0.01944 -0.00736 -0.00813 AFIX 43 H54 2 1.131008 0.386237 0.487933 11.00000 -1.20000 AFIX 0 HKLF 4 REM thew7_a.res in P2(1)2(1)2(1) REM R1 = 0.0377 for 13187 Fo > 4sig(Fo) and 0.0510 for all 15240 data REM 690 parameters refined using 2 restraints END WGHT 0.0199 0.0000 REM Highest difference peak 1.445, deepest hole -0.887, 1-sigma level 0.102 Q1 1 0.8578 0.6215 0.8088 11.00000 0.05 0.91 Q2 1 0.8569 0.6554 0.8094 11.00000 0.05 0.77 Q3 1 0.7395 0.6835 0.8099 11.00000 0.05 0.76 Q4 1 0.8142 0.6761 0.8107 11.00000 0.05 0.74 Q5 1 0.7337 0.5917 0.8093 11.00000 0.05 0.73 Q6 1 0.7971 0.6639 0.7771 11.00000 0.05 0.72 Q7 1 0.7900 0.6580 0.8425 11.00000 0.05 0.65 Q8 1 0.7766 0.6631 0.7361 11.00000 0.05 0.63 Q9 1 0.7386 0.5691 0.8107 11.00000 0.05 0.63 Q10 1 0.7724 0.7023 0.8592 11.00000 0.05 0.58 Q11 1 0.6327 0.6390 0.8129 11.00000 0.05 0.57 Q12 1 0.6928 0.6387 0.8155 11.00000 0.05 0.55 Q13 1 0.7651 0.7013 0.7561 11.00000 0.05 0.54 Q14 1 0.7659 0.6167 0.7331 11.00000 0.05 0.53 Q15 1 0.7627 0.6175 0.8808 11.00000 0.05 0.53 Q16 1 0.6844 0.7596 0.8401 11.00000 0.05 0.52 Q17 1 0.7894 0.6172 0.7695 11.00000 0.05 0.52 Q18 1 0.7206 0.6409 0.7276 11.00000 0.05 0.51 Q19 1 0.8361 0.6213 0.5780 11.00000 0.05 0.51 Q20 1 0.7618 0.5622 0.7241 11.00000 0.05 0.50 Q21 1 0.9209 0.5410 0.8090 11.00000 0.05 0.49 Q22 1 0.8728 0.6910 0.8079 11.00000 0.05 0.48 Q23 1 0.7423 0.6625 0.7716 11.00000 0.05 0.48 Q24 1 0.7711 0.6625 0.8883 11.00000 0.05 0.47 Q25 1 0.7915 0.6004 0.8247 11.00000 0.05 0.45 Q26 1 0.4970 0.6376 0.8085 11.00000 0.05 0.45 Q27 1 0.5614 0.6379 0.8370 11.00000 0.05 0.44 Q28 1 0.8218 0.6388 0.8906 11.00000 0.05 0.44 Q29 1 0.7927 0.6213 0.8456 11.00000 0.05 0.43 Q30 1 0.9806 0.6379 0.8280 11.00000 0.05 0.43 Q31 1 0.3378 0.8410 0.4205 11.00000 0.05 0.43 Q32 1 0.8818 0.6402 0.9253 11.00000 0.05 0.43 Q33 1 0.6653 0.6410 0.9163 11.00000 0.05 0.43 Q34 1 0.8414 0.6162 0.6824 11.00000 0.05 0.42 Q35 1 0.7788 0.6408 0.6503 11.00000 0.05 0.41 Q36 1 0.2775 0.8606 0.4083 11.00000 0.05 0.41 Q37 1 0.6659 0.6826 0.8094 11.00000 0.05 0.41 Q38 1 0.6769 0.4199 0.8824 11.00000 0.05 0.41 Q39 1 0.6570 0.6419 0.7007 11.00000 0.05 0.41 Q40 1 0.7672 0.6153 0.8490 11.00000 0.05 0.40 Q41 1 0.7749 0.5220 0.8022 11.00000 0.05 0.39 Q42 1 0.7217 0.4178 0.7395 11.00000 0.05 0.38 Q43 1 0.6774 0.5198 0.8284 11.00000 0.05 0.38 Q44 1 0.6212 0.6246 0.5763 11.00000 0.05 0.38 Q45 1 0.7781 0.5788 0.8658 11.00000 0.05 0.38 Q46 1 0.8986 0.4763 0.5981 11.00000 0.05 0.37 Q47 1 0.7730 0.7212 0.7292 11.00000 0.05 0.36 Q48 1 0.5773 0.5018 0.8101 11.00000 0.05 0.36 Q49 1 0.5415 0.6392 0.7652 11.00000 0.05 0.35 Q50 1 0.9419 0.6211 0.8639 11.00000 0.05 0.35 Q51 1 1.2184 0.5815 0.7775 11.00000 0.05 0.35 Q52 1 0.9590 0.4247 0.7104 11.00000 0.05 0.35 Q53 1 0.2212 0.8260 0.4023 11.00000 0.05 0.35 Q54 1 0.7387 0.6388 1.0560 11.00000 0.05 0.35 Q55 1 0.7749 0.9392 0.7301 11.00000 0.05 0.34 Q56 1 0.7647 0.6030 0.6850 11.00000 0.05 0.34 Q57 1 0.6457 0.8033 0.8093 11.00000 0.05 0.34 Q58 1 0.5943 0.6390 0.6191 11.00000 0.05 0.34 Q59 1 0.5039 0.6819 0.9437 11.00000 0.05 0.33 Q60 1 0.8761 0.6772 0.6814 11.00000 0.05 0.33 Q61 1 1.0426 0.4420 0.5186 11.00000 0.05 0.33 Q62 1 0.2713 0.8616 0.4901 11.00000 0.05 0.33 Q63 1 0.5384 0.6214 0.6886 11.00000 0.05 0.33 Q64 1 0.5002 0.8616 0.8460 11.00000 0.05 0.32 Q65 1 0.6366 0.7380 0.8098 11.00000 0.05 0.32 Q66 1 0.8180 0.6985 0.7015 11.00000 0.05 0.32 Q67 1 0.2229 0.5809 0.6063 11.00000 0.05 0.32 Q68 1 0.8329 0.6995 0.7379 11.00000 0.05 0.32 Q69 1 0.3702 0.8202 0.9493 11.00000 0.05 0.32 Q70 1 0.8843 0.5409 0.9029 11.00000 0.05 0.32 Q71 1 1.1432 0.6398 0.7321 11.00000 0.05 0.32 Q72 1 0.4190 0.5792 0.8126 11.00000 0.05 0.32 Q73 1 0.6567 0.6005 0.6792 11.00000 0.05 0.32 Q74 1 0.8408 0.6585 0.9833 11.00000 0.05 0.31 Q75 1 0.4622 0.6420 0.8384 11.00000 0.05 0.31 Q76 1 0.8326 0.3644 0.8085 11.00000 0.05 0.31 Q77 1 0.6709 0.6022 0.8107 11.00000 0.05 0.31 Q78 1 1.2391 0.5798 0.6964 11.00000 0.05 0.31 Q79 1 1.0025 0.8565 0.7994 11.00000 0.05 0.31 Q80 1 0.8715 0.6164 0.7290 11.00000 0.05 0.31 ; _shelx_res_checksum 35977 _shelx_hkl_file ; 0 0 -4 68.10 6.03 0 0 4 62.74 6.03 0 0 5 -0.78 3.42 0 0 -5 5.12 4.55 0 0 -6 507.51 20.50 0 0 6 435.12 19.98 0 0 -7 2.88 5.70 0 0 7 3.01 4.69 0 0 8 2655.95 79.57 0 0 -8 2679.85 79.00 0 0 -9 11.12 7.72 0 0 9 -1.56 6.09 0 0 -10 7767.71 208.00 0 0 -11 0.45 8.41 0 0 -12 301.47 21.51 0 0 -13 9.99 10.23 0 0 -14 33.26 12.37 0 0 -15 14.58 10.99 0 0 -16 2161.99 78.47 0 0 -17 8.09 11.99 0 0 -18 2525.87 91.64 0 0 -19 0.75 13.24 0 0 -20 719.33 44.05 0 0 -21 8.57 16.29 0 0 -22 161.82 23.65 0 0 -23 -1.97 14.50 0 0 -24 797.88 51.24 0 0 -25 16.20 17.08 0 0 -26 1094.65 64.00 0 0 -27 0.14 16.07 0 0 -28 372.13 38.94 0 0 -29 -3.92 18.66 0 1 -4 4697.22 127.04 0 1 4 5029.41 127.60 0 -1 -4 5198.99 127.67 0 -1 4 4680.62 126.97 0 1 -5 2843.61 74.97 0 -1 -5 2696.51 75.12 0 -1 5 2547.89 74.82 0 1 5 2662.65 75.21 0 1 -6 136.81 10.50 0 -1 6 125.92 9.96 0 1 6 119.43 10.06 0 -1 -6 131.10 10.20 0 -1 -7 2242.96 67.60 0 1 -7 2238.39 67.09 0 -1 7 2273.88 68.13 0 1 7 2291.95 67.98 0 1 8 71.01 9.47 0 1 -8 77.73 9.96 0 -1 -8 62.61 9.27 0 -1 8 68.22 9.29 0 1 -9 1671.42 56.19 0 -1 9 1627.32 56.48 0 -1 -9 1761.74 56.73 0 1 9 1637.01 56.36 0 1 -10 623.34 28.84 0 -1 -10 609.95 29.51 0 1 -11 136.40 14.75 0 -1 -11 147.44 15.81 0 1 -12 786.01 36.04 0 -1 -12 758.89 35.90 0 -1 -13 987.99 43.53 0 1 -13 982.40 42.45 0 1 -14 1263.01 51.58 0 -1 -14 1213.68 51.41 0 -1 -15 260.67 24.52 0 1 -15 217.65 21.36 0 -1 -16 3.20 11.31 0 1 -16 -2.16 10.34 0 -1 -17 58.59 15.44 0 1 -17 66.64 15.39 0 -1 -18 107.71 18.13 0 1 -18 106.79 17.30 0 1 -19 382.49 30.65 0 -1 -19 350.39 29.67 0 -1 -20 317.21 29.39 0 1 -20 327.90 30.15 0 1 -21 618.78 41.62 0 -1 -21 644.40 42.15 0 1 -22 464.66 36.78 0 -1 -22 475.26 38.03 0 1 -23 396.41 35.67 0 -1 -23 407.93 36.25 0 1 -24 89.09 20.24 0 -1 -24 111.55 22.32 0 1 -25 -1.66 15.68 0 -1 -25 16.39 18.13 0 1 -26 1.01 16.47 0 -1 -26 28.64 17.09 0 1 -27 167.78 27.81 0 -1 -27 171.82 27.74 0 1 -28 197.62 30.31 0 -1 -28 180.81 29.50 0 1 -29 434.92 43.49 0 -1 -29 428.92 43.23 0 2 -4 793.71 26.33 0 -2 -4 817.06 26.97 0 2 4 729.50 26.34 0 2 4 905.86 27.29 0 -2 4 773.98 26.52 0 -2 5 13.48 4.80 0 2 5 4.48 4.32 0 2 -5 15.93 5.04 0 -2 -5 7.73 4.28 0 -2 6 36.76 5.99 0 -2 -6 34.18 6.53 0 2 -6 41.60 6.75 0 2 6 43.17 6.83 0 -2 7 5822.11 158.27 0 2 7 5934.92 158.25 0 2 -7 5932.71 157.87 0 -2 -7 5999.17 158.47 0 2 -8 62.89 8.86 0 2 8 77.55 9.32 0 -2 -8 88.86 10.60 0 -2 8 68.63 8.93 0 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1813.26 48.17 0 -3 2 1743.82 49.56 0 -3 2 1819.47 48.65 0 -3 -3 13.71 4.05 0 3 -3 16.45 3.73 0 3 3 16.72 3.86 0 -3 3 8.69 3.21 0 3 3 12.38 4.19 0 -3 -3 17.00 4.25 0 3 4 532.19 20.14 0 -3 -4 416.84 19.41 0 3 4 518.07 20.31 0 -3 4 521.49 19.68 0 -3 -4 559.35 20.32 0 3 -4 541.94 19.60 0 -3 5 1180.00 38.72 0 3 -5 1165.98 38.63 0 -3 -5 1275.92 39.57 0 3 5 1243.05 39.85 0 3 5 1255.91 39.41 0 3 6 853.05 30.68 0 3 -6 856.51 30.35 0 -3 -6 822.65 30.99 0 3 6 899.97 30.90 0 -3 6 769.27 29.98 0 3 -7 32.35 6.82 0 -3 7 38.88 6.77 0 3 7 35.76 6.40 0 -3 -7 36.85 7.12 0 3 7 39.99 7.11 0 3 8 17.34 6.06 0 -3 8 12.44 6.13 0 3 -8 2.26 6.03 0 -3 -8 10.66 6.13 0 -3 -9 317.26 19.55 0 3 -9 346.93 19.75 0 -3 9 309.89 19.50 0 -3 -10 466.14 25.39 0 3 -10 488.02 25.54 0 3 -11 679.72 31.95 0 -3 -11 662.84 32.08 0 -3 -12 1549.02 57.24 0 3 -12 1518.65 56.94 0 3 -13 1004.88 43.78 0 -3 -13 1064.22 45.74 0 -3 -14 585.25 33.10 0 3 -14 546.03 31.55 0 3 -15 166.37 18.64 0 -3 -15 162.36 18.83 0 3 -16 218.39 21.32 0 -3 -16 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21.11 6.01 0 -10 -1 27.46 9.12 0 10 -1 22.72 8.34 0 10 1 22.14 9.65 0 -10 1 15.32 5.83 0 10 2 1288.49 41.92 0 10 -2 1280.78 40.61 0 10 2 1189.02 44.04 0 -10 2 1179.09 39.09 0 10 -2 1214.05 45.76 0 10 -2 1148.54 40.77 0 -10 -2 1273.57 43.78 0 10 -3 34.06 6.42 0 10 -3 34.33 9.57 0 10 -3 29.59 7.96 0 10 3 37.46 9.09 0 -10 -3 63.87 12.12 0 10 4 10.78 7.41 0 10 -4 -4.49 5.33 0 10 -4 11.48 7.10 0 10 -5 19.05 5.85 0 10 5 57.08 9.30 0 -10 -5 40.31 9.34 0 10 -5 9.58 5.99 0 10 5 27.81 9.47 0 10 -6 989.81 35.19 0 -10 -6 952.23 39.32 0 10 6 982.60 39.43 0 10 -6 948.45 35.81 0 10 6 956.07 36.98 0 10 -7 391.16 19.57 0 -10 -7 396.37 23.89 0 -10 7 367.79 21.68 0 10 -7 399.54 20.65 0 10 -8 801.81 31.77 0 -10 -8 786.85 37.26 0 -10 8 867.69 37.70 0 10 -8 885.98 34.69 0 10 -9 784.05 33.37 0 -10 -9 783.43 38.44 0 -10 9 814.09 38.05 0 10 -10 1241.06 46.89 0 -10 -10 1226.02 51.47 0 -10 -11 22.11 11.70 0 10 -11 26.07 9.52 0 -10 -12 19.29 11.24 0 10 -12 13.83 10.81 0 10 -13 68.96 13.16 0 -10 -13 54.27 14.01 0 10 -14 280.31 23.10 0 -10 -14 327.90 27.72 0 -10 -15 66.33 16.57 0 10 -15 54.53 12.40 0 10 -16 1384.96 58.04 0 -10 -16 1455.88 66.06 0 10 16 1408.82 62.63 0 -10 -17 358.20 32.36 0 10 17 390.78 29.81 0 10 -17 341.71 27.42 0 10 18 460.99 33.25 0 10 -18 496.78 33.43 0 -10 -18 483.91 37.97 0 -10 -19 6.15 14.14 0 10 -19 28.14 14.22 0 10 19 -0.06 11.28 0 -10 -20 176.44 25.86 0 10 20 158.12 22.00 0 10 -20 176.08 21.92 0 -10 -21 39.02 20.25 0 10 21 28.12 14.26 0 10 -21 39.73 16.10 0 10 -22 255.10 28.11 0 10 22 290.43 29.99 0 -10 -22 270.10 33.50 0 -10 -23 136.43 26.64 0 10 -23 98.81 20.57 0 10 23 123.91 21.77 0 -10 -24 413.73 42.45 0 10 -24 366.10 34.43 0 10 24 444.11 37.01 0 10 -25 78.28 21.35 0 10 25 65.91 19.20 0 -10 -25 48.43 23.22 0 10 -26 248.71 30.72 0 10 26 280.61 31.80 0 -10 -26 268.10 36.49 0 -10 -27 76.62 27.15 0 10 -27 59.04 20.39 0 10 -28 14.42 19.09 0 10 -29 52.99 21.13 0 11 0 -1.62 5.80 0 11 0 11.75 8.41 0 -11 0 20.95 7.10 0 11 1 0.46 7.06 0 11 -1 9.83 5.32 0 -11 -1 16.84 7.41 0 11 -1 10.79 7.83 0 11 1 10.57 5.70 0 -11 1 14.27 5.24 0 11 -2 1326.11 45.17 0 11 -2 1359.98 50.35 0 11 -2 1460.45 44.88 0 -11 -2 1451.44 48.86 0 -11 2 1283.51 43.05 0 11 2 1376.54 46.53 0 11 2 1338.00 48.93 0 11 3 580.07 28.55 0 11 -3 606.07 31.09 0 11 -3 570.14 26.23 0 -11 -3 669.39 29.31 0 11 3 590.49 27.14 0 11 -3 640.68 25.20 0 -11 3 578.58 24.09 0 -11 -4 2028.13 65.84 0 11 -4 2065.36 62.05 0 11 4 1967.58 66.31 0 11 -4 1991.69 62.34 0 11 -5 114.98 10.64 0 11 5 113.67 13.70 0 11 -5 123.01 10.91 0 11 5 112.61 11.69 0 -11 -5 119.88 13.00 0 11 6 1067.66 43.43 0 11 -6 1104.16 38.84 0 11 -6 1038.49 39.00 0 -11 -6 1070.47 42.81 0 11 7 326.38 21.92 0 11 -7 305.54 17.92 0 11 -7 318.80 18.65 0 -11 -7 333.23 21.85 0 -11 -8 75.25 12.05 0 11 -8 64.19 9.39 0 -11 8 64.38 11.07 0 11 -8 101.70 13.00 0 -11 9 4.43 7.25 0 11 -9 3.79 6.74 0 -11 -9 -5.24 10.09 0 11 -9 1.21 5.32 0 -11 -10 491.46 29.84 0 11 -10 424.70 22.86 0 11 -10 490.00 26.20 0 -11 -11 104.11 16.27 0 11 -11 77.96 11.83 0 11 -12 1641.08 60.05 0 -11 -12 1649.61 66.47 0 11 -13 707.65 35.87 0 -11 -13 702.87 40.89 0 -11 -14 1381.72 61.09 0 11 -14 1295.41 53.58 0 -11 -15 34.30 15.27 0 11 -15 12.83 10.42 0 -11 -16 312.74 29.17 0 11 -16 258.86 23.10 0 11 -17 9.70 11.52 0 -11 -17 5.25 14.21 0 11 -18 311.16 26.20 0 -11 -18 320.04 31.38 0 -11 -19 120.62 22.48 0 11 -19 104.11 17.83 0 -11 -20 725.82 49.94 0 11 -20 738.35 42.89 0 -11 -21 53.16 20.25 0 11 -21 17.99 14.30 0 -11 -22 477.75 42.71 0 11 -22 498.33 37.03 0 11 22 506.62 39.29 0 -11 -23 31.47 21.24 0 11 -23 23.01 14.50 0 11 23 26.78 15.93 0 11 -24 85.57 20.46 0 11 24 32.33 16.54 0 -11 -24 56.38 23.89 0 -11 -25 39.97 22.29 0 11 -25 15.49 16.91 0 11 -26 51.25 19.64 0 -11 -26 52.65 25.45 0 11 -27 4.10 16.59 0 11 -28 172.45 28.87 0 11 -29 57.00 22.25 0 -12 0 83.34 9.51 0 12 0 90.77 9.74 0 12 0 105.21 12.91 0 -12 -1 2410.01 71.31 0 12 1 2122.57 72.06 0 12 1 2281.75 68.99 0 -12 1 2077.24 65.87 0 12 -1 2247.34 73.40 0 12 -1 2395.56 68.12 0 12 2 73.20 10.73 0 12 -2 71.91 9.21 0 12 2 99.84 10.78 0 12 -2 84.69 12.36 0 12 -2 87.33 9.51 0 -12 2 64.83 7.64 0 -12 -2 80.78 11.10 0 12 3 137.66 14.23 0 12 -3 147.32 13.19 0 -12 -3 180.71 15.36 0 12 -3 137.68 11.67 0 12 -3 128.75 15.53 0 -12 3 142.79 11.45 0 12 3 154.22 13.57 0 12 -4 94.68 11.52 0 -12 -4 101.03 12.67 0 12 4 90.36 12.35 0 12 -4 95.49 9.74 0 12 -5 11.44 6.63 0 -12 -5 15.61 9.35 0 12 5 7.20 7.63 0 12 5 12.88 6.57 0 12 -5 11.03 8.13 0 12 -6 69.91 9.64 0 12 6 75.27 11.86 0 -12 -6 79.54 12.28 0 12 -6 78.53 9.88 0 12 7 1144.17 46.37 0 12 -7 1085.63 40.87 0 12 -7 1141.14 41.67 0 -12 -7 1028.86 45.13 0 12 -8 115.37 12.36 0 12 8 103.92 13.66 0 -12 -8 79.77 13.56 0 12 -8 106.06 11.22 0 12 -9 1749.67 58.96 0 12 -9 1667.56 57.60 0 -12 -9 1757.68 65.79 0 12 -10 -5.20 8.42 0 -12 -10 -3.28 10.07 0 12 -10 10.55 7.58 0 12 -11 540.57 28.62 0 -12 -11 534.46 33.57 0 -12 -12 22.19 13.45 0 12 -12 43.09 11.22 0 12 -13 46.81 11.52 0 -12 -13 79.53 17.04 0 12 -14 73.87 13.77 0 -12 -14 70.70 16.02 0 -12 -15 678.68 43.71 0 12 -15 716.17 37.92 0 -12 -16 23.46 16.43 0 12 -16 6.75 11.81 0 -12 -17 1332.25 64.83 0 12 -17 1262.78 56.23 0 -12 -18 132.86 23.55 0 12 -18 81.75 16.13 0 12 -19 368.31 29.18 0 -12 -19 327.06 33.84 0 12 -20 0.63 12.91 0 -12 -20 22.03 17.77 0 12 -21 8.56 13.11 0 -12 -21 22.65 17.92 0 12 -22 0.37 13.34 0 -12 -22 8.44 16.77 0 12 -23 314.28 31.17 0 -12 -23 349.40 39.09 0 12 -24 64.45 19.26 0 -12 -24 59.11 22.78 0 -12 -25 550.46 48.86 0 12 -25 475.05 39.69 0 12 -26 67.86 21.52 0 -12 -26 89.82 26.35 0 12 -27 215.12 29.22 0 12 -28 50.07 21.60 0 12 -29 42.40 22.55 0 -13 0 14.01 6.30 0 13 0 19.00 9.45 0 13 0 10.92 6.28 0 13 -1 241.83 15.56 0 -13 1 195.39 14.09 0 13 -1 220.63 18.55 0 -13 -1 200.65 16.50 0 13 1 241.56 16.02 0 13 1 240.62 18.40 0 -13 2 25.92 5.68 0 13 2 27.15 7.76 0 13 -2 9.15 8.48 0 13 2 18.12 8.92 0 -13 -2 26.77 8.14 0 13 -2 15.88 6.15 0 13 -2 16.16 5.92 0 13 3 3796.31 109.32 0 13 -3 3641.93 107.98 0 13 3 3875.54 113.29 0 -13 -3 3861.40 111.86 0 -13 3 3641.17 104.91 0 13 -3 3773.20 115.43 0 13 -3 3884.28 106.16 0 13 4 565.99 30.71 0 13 -4 591.80 27.38 0 13 -4 643.10 26.98 0 13 -4 570.40 32.90 0 -13 -4 640.62 30.58 0 -13 -5 1150.17 46.82 0 13 -5 1240.33 43.64 0 13 5 1218.53 48.72 0 13 -5 1169.17 43.20 0 13 -6 36.49 8.14 0 -13 -6 48.11 10.65 0 13 -6 56.16 9.05 0 13 6 34.13 9.61 0 13 7 824.94 38.33 0 13 -7 748.72 32.90 0 13 -7 802.43 34.13 0 -13 -7 763.10 37.67 0 13 -8 33.61 8.31 0 -13 -8 9.18 9.11 0 13 8 11.42 8.94 0 13 -8 19.99 8.00 0 13 -9 156.53 14.74 0 13 9 130.80 16.51 0 -13 -9 130.89 16.22 0 13 -9 144.61 14.81 0 13 -10 18.45 7.62 0 -13 -10 15.10 10.82 0 13 -10 12.83 7.32 0 -13 -11 1263.28 55.78 0 13 -11 1194.91 47.91 0 -13 -12 257.47 25.07 0 13 -12 279.73 21.41 0 13 -13 806.19 38.57 0 -13 -13 845.69 47.20 0 -13 -14 570.52 39.14 0 13 -14 614.86 33.46 0 13 -15 366.63 26.90 0 -13 -15 399.87 33.44 0 -13 -16 22.06 14.79 0 13 -16 25.32 11.92 0 13 -17 -10.75 11.78 0 -13 -17 -11.03 16.87 0 13 -18 97.61 17.43 0 -13 -18 62.97 18.85 0 13 -19 301.08 26.99 0 -13 -19 243.96 29.56 0 13 -20 300.11 28.11 0 -13 -20 337.20 35.39 0 13 -21 749.86 44.78 0 -13 -21 786.68 54.56 0 -13 -22 79.40 22.31 0 13 -22 60.64 16.94 0 13 -23 544.72 40.70 0 -13 -23 525.61 46.90 0 13 -24 21.75 16.72 0 -13 -24 7.74 20.55 0 -13 -25 101.57 28.17 0 13 -25 66.18 19.38 0 13 -26 93.80 21.94 0 13 -27 114.81 24.20 0 14 0 2612.73 84.74 0 -14 0 2437.72 78.06 0 14 0 2782.20 79.41 0 14 1 39.73 8.55 0 -14 -1 38.38 8.46 0 14 -1 38.75 7.58 0 14 -1 25.52 8.81 0 -14 1 43.89 7.51 0 14 1 28.99 9.80 0 -14 2 494.12 22.68 0 -14 -2 528.74 27.43 0 14 -2 482.67 23.40 0 14 2 492.41 28.50 0 14 -2 469.32 24.07 0 14 -2 445.31 28.34 0 14 2 531.34 25.75 0 14 -3 123.83 12.21 0 -14 3 143.58 11.70 0 14 3 126.50 16.31 0 14 -3 124.16 15.56 0 14 -3 129.34 11.75 0 -14 -3 135.01 15.30 0 14 -4 74.33 11.91 0 14 -4 76.29 13.70 0 14 -4 71.66 10.88 0 -14 -4 87.56 13.64 0 14 4 72.43 12.23 0 14 -5 48.58 8.15 0 14 -5 59.17 8.68 0 14 5 53.35 11.33 0 -14 -5 51.69 11.31 0 14 6 1640.15 63.22 0 -14 -6 1656.22 62.23 0 14 -6 1577.83 56.35 0 14 -6 1871.13 58.32 0 14 -7 182.32 15.00 0 14 -7 205.84 16.03 0 -14 -7 181.39 17.72 0 14 7 174.86 17.90 0 14 8 890.66 42.92 0 14 -8 996.58 39.89 0 14 -8 912.46 37.31 0 -14 -8 875.36 42.48 0 14 -9 41.43 10.99 0 14 -9 41.46 10.28 0 -14 -9 7.47 9.90 0 14 9 11.88 10.57 0 14 10 859.34 42.20 0 -14 -10 813.27 43.31 0 14 -10 829.33 37.21 0 14 -10 805.11 36.16 0 -14 -11 14.58 12.20 0 14 11 12.79 11.23 0 14 -11 -4.70 8.25 0 -14 -12 13.32 12.26 0 14 -12 8.21 8.68 0 -14 -13 -12.61 13.92 0 14 -13 -3.80 9.31 0 14 -14 250.30 21.80 0 -14 -14 237.91 26.81 0 -14 -15 49.67 17.25 0 14 -15 48.21 12.89 0 -14 -16 713.40 47.00 0 14 -16 734.24 39.36 0 14 -17 5.31 10.25 0 -14 -17 -16.42 16.70 0 14 -18 659.18 38.47 0 -14 -18 612.97 45.56 0 14 -19 33.49 13.68 0 -14 -19 29.02 18.57 0 14 -20 59.22 16.60 0 -14 -20 40.85 19.19 0 -14 -21 115.50 24.05 0 14 -21 80.62 17.79 0 -14 -22 147.43 28.26 0 14 -22 151.10 22.70 0 -14 -23 43.59 22.04 0 14 -23 20.53 15.48 0 14 -24 622.78 43.96 0 -14 -24 664.46 53.91 0 -14 -25 79.51 25.96 0 14 -25 79.93 20.53 0 15 0 1.11 8.86 0 -15 0 8.19 6.10 0 15 0 9.62 6.42 0 -15 -1 72.88 10.36 0 -15 1 61.19 8.75 0 15 -1 67.12 12.21 0 15 1 62.21 11.45 0 15 -1 73.58 10.32 0 15 1 84.33 10.56 0 15 -2 535.37 27.06 0 15 -2 552.39 26.52 0 -15 -2 572.19 29.56 0 15 -2 585.92 33.05 0 -15 2 559.97 25.08 0 15 2 566.06 31.83 0 -15 -3 1130.09 45.67 0 15 -3 1035.68 47.92 0 15 -3 994.47 40.82 0 15 3 989.31 45.59 0 15 -3 1144.68 40.15 0 15 4 980.52 44.94 0 15 -4 1039.96 39.77 0 15 -4 1004.46 38.17 0 15 -4 1001.99 47.24 0 -15 -4 1003.79 44.10 0 15 -5 148.61 13.03 0 15 5 146.06 16.85 0 -15 -5 131.20 15.44 0 15 -5 128.80 12.50 0 15 6 363.61 25.85 0 15 -6 305.35 19.70 0 15 -6 360.88 20.62 0 -15 -6 346.87 24.43 0 15 -7 184.19 15.99 0 15 -7 172.26 14.66 0 -15 -7 177.85 18.59 0 15 7 179.15 19.13 0 15 -8 41.78 9.39 0 -15 -8 29.51 11.67 0 15 -8 50.33 10.51 0 15 8 36.57 11.57 0 15 -9 39.04 10.09 0 15 9 8.74 11.05 0 -15 -9 42.87 12.52 0 15 -9 37.59 9.46 0 15 -10 491.31 26.61 0 15 10 500.22 32.67 0 -15 -10 526.92 34.05 0 15 11 582.26 35.32 0 15 -11 524.05 28.74 0 -15 -11 554.35 36.48 0 -15 -12 530.25 36.74 0 15 12 580.87 35.76 0 15 -12 553.30 30.52 0 15 -13 310.26 23.27 0 -15 -13 298.36 28.64 0 15 -14 542.96 31.23 0 -15 -14 486.63 37.41 0 -15 -15 22.71 14.02 0 15 -15 35.22 12.43 0 15 -16 114.91 16.61 0 -15 -16 81.58 19.21 0 -15 -17 -35.49 17.39 0 15 -17 4.10 10.12 0 -15 -18 71.00 20.66 0 15 -18 83.98 16.31 0 -15 -19 431.19 40.69 0 15 -19 413.88 31.15 0 15 -20 384.23 31.31 0 -15 -20 393.66 38.91 0 -15 -21 431.92 42.53 0 15 -21 405.66 31.92 0 -15 -22 471.00 46.11 0 15 -22 502.56 37.06 0 -15 -23 93.49 26.87 0 -15 -24 98.36 27.44 0 16 0 105.18 15.14 0 -16 0 98.24 10.86 0 16 0 122.97 12.73 0 -16 1 359.80 20.15 0 16 -1 407.53 26.97 0 16 1 398.09 26.61 0 -16 -1 404.50 23.05 0 16 -1 389.98 21.82 0 16 2 162.95 18.05 0 16 -2 163.61 14.12 0 -16 2 171.65 13.47 0 16 -2 163.06 18.44 0 -16 -2 175.48 16.47 0 16 -2 165.51 15.01 0 16 3 383.82 27.06 0 16 -3 378.59 28.49 0 -16 -3 432.35 26.19 0 16 -3 393.35 22.96 0 16 -3 395.75 21.64 0 16 -4 16.40 7.64 0 16 -4 18.48 6.98 0 -16 -4 13.10 9.47 0 16 -4 3.36 10.77 0 16 4 20.82 10.56 0 16 -5 206.01 15.68 0 16 -5 223.88 15.89 0 16 5 195.20 20.29 0 -16 -5 265.93 22.03 0 16 -6 64.01 9.84 0 16 -6 60.57 9.82 0 16 6 73.59 14.70 0 -16 -6 83.72 14.18 0 16 -7 869.53 36.23 0 16 7 905.57 44.44 0 -16 -7 884.50 43.41 0 16 8 7.31 11.08 0 -16 -8 10.54 10.58 0 16 -8 39.23 9.95 0 16 9 483.99 32.54 0 -16 -9 480.28 32.95 0 16 -9 494.64 26.35 0 -16 -10 17.25 12.47 0 16 -10 -7.00 9.28 0 16 10 -6.37 11.78 0 16 -11 361.84 23.59 0 -16 -11 344.26 29.84 0 16 11 363.95 28.89 0 -16 -12 4.81 13.14 0 16 12 20.00 12.19 0 16 -12 6.10 8.62 0 16 13 45.82 15.17 0 -16 -13 26.85 14.70 0 16 -13 25.69 10.55 0 -16 -14 3.36 14.55 0 16 -14 25.00 10.39 0 16 14 25.00 12.49 0 16 -15 630.41 35.01 0 -16 -15 637.32 43.90 0 16 -16 13.57 10.15 0 -16 -16 -1.93 17.42 0 -16 -17 335.16 33.95 0 16 -17 343.15 27.08 0 16 -18 22.49 12.28 0 -16 -18 8.67 17.59 0 -16 -19 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535.00 25.42 -8 8 -7 546.09 25.66 8 -8 -8 41.95 12.76 8 8 8 37.27 16.49 -8 8 -8 13.31 6.96 8 -8 -9 142.56 17.44 8 8 9 90.70 18.11 -8 8 -9 107.93 11.81 8 8 10 110.37 19.85 -8 8 -10 136.44 13.69 8 -8 -10 110.67 16.08 8 8 11 410.62 33.24 8 -8 -11 421.66 30.23 -8 8 -11 400.13 23.96 8 8 12 655.64 43.75 -8 8 -12 654.18 32.61 8 -8 -12 689.83 39.46 -8 8 -13 491.63 27.81 8 8 13 423.29 36.03 8 -8 -13 451.96 32.70 8 8 14 114.85 22.27 -8 8 -14 118.18 15.10 8 -8 -14 95.32 18.42 -8 8 -15 220.22 20.32 8 8 15 238.14 28.80 8 -8 -15 273.11 27.88 8 8 16 22.60 17.72 8 -8 -16 29.30 16.52 -8 8 -16 35.77 11.79 -8 8 -17 57.17 14.24 8 8 17 37.25 16.97 8 -8 -17 77.43 19.17 -8 8 -18 105.57 16.90 8 8 18 137.69 25.69 8 -8 -18 113.73 21.24 8 8 19 153.16 27.72 8 -8 -19 192.18 26.69 8 8 20 216.42 32.45 8 -8 -20 258.85 29.93 8 8 21 321.54 39.44 8 -8 -21 283.17 32.49 8 8 22 214.34 35.52 8 -8 -22 180.76 27.26 8 -8 -23 138.04 25.52 8 8 23 196.13 36.28 8 -8 -24 68.66 23.43 8 8 24 61.70 26.82 8 -8 -25 64.14 25.11 8 9 -24 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103.45 27.86 8 -12 -20 336.17 33.26 8 12 20 377.97 42.63 8 -12 -21 122.82 24.55 8 12 21 143.88 31.19 8 -12 -22 410.40 39.94 8 12 22 448.84 48.36 8 -12 -23 52.69 22.32 8 -12 -24 121.12 27.02 8 13 -22 11.43 18.52 -8 -13 -21 51.15 26.05 8 13 -21 44.31 19.71 -8 -13 -20 53.57 26.97 8 13 -20 62.12 23.38 -8 -13 -19 73.61 24.82 8 13 -19 117.55 26.79 -8 -13 -18 312.75 39.87 8 13 -18 341.37 37.00 -8 -13 -17 100.68 26.62 8 13 -17 53.60 20.88 -8 -13 -16 385.03 40.40 -8 13 16 371.83 31.63 8 13 -16 329.97 35.87 -8 -13 -15 180.47 29.10 -8 13 15 144.62 20.64 8 13 -15 129.15 24.29 -8 -13 -14 120.68 25.13 -8 13 14 109.51 18.86 8 13 -14 122.08 23.60 -8 -13 -13 120.25 25.46 -8 13 13 134.62 19.40 8 13 -13 133.80 24.33 -8 -13 -12 60.70 19.58 8 13 -12 33.35 17.03 -8 13 12 65.97 15.00 -8 -13 -11 170.96 26.99 -8 13 11 196.25 20.68 8 13 -11 145.49 23.26 -8 13 10 474.06 31.87 8 13 -10 532.25 39.64 -8 -13 -10 433.80 38.90 -8 -13 -9 96.83 21.82 -8 13 9 111.53 16.43 8 13 -9 153.23 24.48 8 13 -8 712.89 46.63 -8 13 8 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202.73 27.66 8 -13 -11 186.18 19.37 8 13 12 89.92 14.90 8 13 12 73.99 21.90 8 -13 -12 94.49 16.06 8 13 13 178.15 20.15 8 13 13 154.38 26.46 8 -13 -13 126.84 17.62 8 13 14 122.54 23.65 8 -13 -14 167.21 21.07 8 13 15 157.46 27.88 8 -13 -15 160.28 21.54 8 -13 -16 345.45 30.70 8 13 16 380.96 38.81 8 -13 -17 100.82 20.56 8 13 17 134.91 28.50 8 -13 -18 390.01 34.29 8 13 18 320.12 37.82 8 -13 -19 111.17 22.98 8 13 19 124.30 28.21 8 -13 -20 62.34 20.54 8 13 20 24.73 19.58 8 -13 -21 84.04 21.30 8 13 21 62.91 24.68 8 -13 -22 31.31 18.00 8 -13 -23 117.49 25.97 8 -13 -24 183.76 30.47 8 14 -22 57.38 23.02 8 14 -21 346.17 39.31 -8 -14 -20 30.67 23.57 8 14 -20 53.42 21.89 -8 -14 -19 236.60 35.27 8 14 -19 321.08 36.07 -8 -14 -18 40.24 23.19 -8 14 18 56.52 17.77 8 14 -18 16.44 17.50 -8 -14 -17 17.41 19.99 -8 14 17 29.33 16.05 8 14 -17 16.92 18.47 -8 -14 -16 19.15 19.90 -8 14 16 48.83 16.52 8 14 -16 47.47 19.09 -8 -14 -15 205.59 31.03 -8 14 15 199.62 24.31 8 14 -15 149.55 26.12 -8 -14 -14 188.63 29.63 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100.96 13.04 -8 -14 2 130.52 21.75 8 14 3 538.60 29.09 -8 -14 3 568.92 38.81 8 14 4 143.47 14.75 8 14 5 648.23 31.49 8 14 6 212.88 17.91 8 14 7 193.37 17.51 8 14 8 64.89 11.88 8 14 9 68.31 12.69 8 14 10 31.01 11.79 8 -14 -10 26.82 9.74 8 14 11 530.68 32.10 8 -14 -11 470.97 29.76 8 14 12 24.85 11.76 8 -14 -12 32.19 12.50 8 14 13 815.54 43.21 8 -14 -13 773.37 41.34 8 14 13 692.92 50.86 8 14 14 157.40 19.95 8 -14 -14 127.23 18.08 8 14 14 141.78 26.09 8 14 15 186.44 21.45 8 -14 -15 178.04 22.32 8 14 15 176.98 28.28 8 -14 -16 14.12 12.71 8 14 16 44.24 20.94 8 -14 -17 -5.22 13.37 8 14 17 9.15 16.27 8 -14 -18 34.90 16.43 8 14 18 71.78 23.47 8 -14 -19 288.88 30.86 8 14 19 294.32 38.12 8 -14 -20 22.54 16.33 8 14 20 65.00 26.06 8 -14 -21 438.83 39.72 8 -14 -22 39.36 20.31 8 -14 -23 100.80 24.82 8 -14 -24 44.00 19.60 -8 15 21 18.86 15.98 8 15 -21 -26.06 23.67 -8 15 20 70.19 19.96 8 15 -20 43.15 18.39 -8 -15 -19 119.55 30.14 -8 15 19 128.16 23.07 8 15 -19 147.55 28.01 -8 -15 -18 80.48 25.42 -8 15 18 82.42 20.38 8 15 -18 111.50 25.51 -8 -15 -17 263.73 36.65 -8 15 17 245.69 27.59 8 15 -17 272.71 33.39 -8 -15 -16 291.78 37.89 -8 15 16 273.62 28.69 8 15 -16 247.42 31.54 -8 -15 -15 113.49 26.72 -8 15 15 127.81 21.10 8 15 -15 101.61 23.08 -8 -15 -14 100.61 25.75 -8 15 14 108.25 20.02 8 15 -14 100.31 23.03 -8 -15 -13 23.70 20.75 -8 15 13 26.96 15.11 8 15 -13 26.95 17.84 -8 -15 -12 40.81 18.60 8 15 -12 32.76 16.56 -8 15 12 52.02 14.54 -8 -15 -11 129.83 25.46 -8 15 11 167.27 21.73 8 15 -11 133.73 21.15 -8 -15 -10 140.86 25.57 -8 15 10 157.97 20.58 8 15 -10 158.58 24.18 -8 -15 -9 233.10 30.90 -8 15 9 188.66 21.80 8 15 -9 218.86 28.00 -8 -15 -8 318.84 33.87 8 15 -8 310.44 32.79 -8 15 8 301.02 26.45 8 15 -7 206.04 27.63 -8 15 7 148.41 19.58 -8 -15 -7 168.98 26.21 8 15 -6 163.17 24.85 -8 15 6 186.64 21.32 -8 -15 -6 221.61 28.62 8 15 -5 38.66 16.43 -8 15 5 84.24 15.70 -8 -15 -5 65.81 20.26 8 15 -4 139.61 23.44 -8 15 4 202.36 21.44 -8 -15 -4 189.69 26.67 -8 -15 -3 175.02 25.04 8 15 -3 148.14 23.99 -8 15 3 176.50 20.57 8 15 -2 28.39 13.98 -8 15 2 80.99 15.45 -8 -15 -2 76.99 19.02 -8 15 1 202.70 21.22 -8 -15 -1 240.26 28.22 -8 -15 0 216.95 26.70 -8 15 0 137.45 17.90 8 15 1 172.29 17.34 -8 15 -1 165.11 20.25 -8 -15 1 160.24 23.34 -8 -15 2 71.06 16.34 -8 15 -2 53.17 13.90 8 15 2 56.94 11.39 -8 -15 3 222.48 25.54 8 15 3 176.15 16.85 8 15 4 179.69 16.52 8 15 5 76.19 12.33 8 15 6 210.89 18.37 8 15 7 164.10 17.18 8 15 8 285.83 22.47 8 15 9 265.30 22.58 8 15 10 227.32 21.97 8 15 11 184.96 20.58 8 15 12 36.60 13.17 8 15 13 54.82 14.60 8 15 14 97.73 17.52 8 15 15 195.32 22.63 8 15 16 346.46 29.85 8 15 17 239.14 25.52 8 15 17 197.95 31.54 8 15 18 67.95 25.41 8 15 19 84.42 23.47 8 15 20 57.82 24.16 8 16 -21 -27.04 23.64 -8 16 20 305.66 33.15 8 16 -20 386.77 38.79 -8 -16 -19 40.47 25.25 -8 16 19 36.86 17.11 8 16 -19 54.95 21.33 -8 -16 -18 65.26 24.70 -8 16 18 72.14 18.73 8 16 -18 141.89 26.37 -8 -16 -17 30.88 21.04 -8 16 17 40.27 16.88 8 16 -17 43.99 20.13 -8 -16 -16 4.91 18.81 -8 16 16 20.06 14.60 8 16 -16 19.40 17.24 -8 -16 -15 -0.40 18.66 -8 16 15 7.52 14.37 8 16 -15 13.76 17.50 -8 16 14 294.91 29.60 -8 -16 -14 350.19 39.16 8 16 -14 345.95 36.09 -8 -16 -13 8.01 19.46 -8 16 13 8.28 13.42 8 16 -13 6.89 16.13 8 16 -12 448.09 38.66 -8 -16 -12 447.16 43.26 -8 16 12 454.10 35.36 -8 -16 -11 8.83 19.04 -8 16 11 -11.52 13.77 8 16 -11 -17.40 17.59 -8 -16 -10 157.73 27.33 -8 16 10 115.60 19.24 8 16 -10 176.07 24.84 -8 16 9 103.46 18.41 -8 -16 -9 101.83 22.83 8 16 -9 156.16 24.94 -8 -16 -8 13.19 18.56 8 16 -8 27.71 16.79 -8 16 8 -16.70 14.11 8 16 -7 32.18 16.47 -8 16 7 33.19 13.25 -8 -16 -7 26.42 17.54 8 16 -6 229.07 27.56 -8 16 6 246.79 24.03 -8 -16 -6 212.75 28.70 8 16 -5 11.84 14.89 -8 -16 -5 5.48 15.11 -8 16 5 41.98 13.40 8 16 -4 459.10 40.09 -8 16 4 489.85 33.79 -8 -16 -4 566.47 43.37 8 16 -3 -14.37 18.38 -8 16 3 38.77 14.14 -8 -16 -3 7.68 15.46 -8 16 2 116.29 17.55 8 16 -2 86.76 20.85 -8 -16 -2 129.43 23.17 -8 16 1 66.93 15.58 -8 -16 -1 86.24 20.24 -8 16 0 25.61 11.82 -8 -16 0 78.70 20.07 8 16 1 98.34 14.95 -8 16 -1 109.71 18.35 -8 -16 1 102.37 20.94 -8 16 -2 101.58 18.06 8 16 2 170.40 17.56 -8 -16 2 159.33 23.43 8 16 3 27.25 9.57 -8 -16 3 36.36 16.74 8 16 4 507.73 29.54 8 16 5 33.63 9.85 8 16 6 360.35 24.89 8 16 7 75.59 13.24 8 16 8 13.20 9.51 8 16 9 81.37 14.73 8 16 10 224.15 22.30 8 16 11 20.01 11.92 8 16 12 605.02 37.69 8 16 13 45.92 15.28 8 16 14 333.33 29.88 8 16 15 25.19 13.24 8 16 16 26.85 15.33 8 16 17 44.34 15.64 8 17 -20 79.50 23.24 -8 17 19 118.46 23.24 8 17 -19 160.95 28.94 -8 -17 -18 135.00 32.24 -8 17 18 134.66 24.22 8 17 -18 174.23 28.55 -8 -17 -17 221.68 37.22 -8 17 17 224.38 28.03 8 17 -17 277.78 34.58 -8 -17 -16 69.18 24.26 -8 17 16 98.84 21.47 8 17 -16 112.60 24.24 -8 -17 -15 217.04 34.02 -8 17 15 201.18 26.29 8 17 -15 180.10 27.67 -8 -17 -14 60.71 25.10 -8 17 14 46.57 16.49 8 17 -14 40.66 18.27 -8 -17 -13 49.83 21.43 -8 17 13 43.90 15.17 8 17 -13 40.28 18.18 -8 -17 -12 47.54 21.05 -8 17 12 39.17 15.66 8 17 -12 27.95 17.84 -8 -17 -11 112.37 24.76 -8 17 11 111.14 20.31 8 17 -11 128.95 23.94 -8 17 10 39.15 14.30 -8 -17 -10 48.75 20.49 8 17 -10 32.06 17.83 -8 -17 -9 275.10 33.08 8 17 -9 249.42 29.86 -8 17 9 250.24 26.05 8 17 -8 144.05 23.34 -8 17 8 175.15 22.16 -8 -17 -8 211.96 29.49 8 17 -7 246.86 29.20 -8 17 7 221.67 24.99 -8 -17 -7 334.28 35.65 8 17 -6 95.70 21.58 -8 17 6 114.53 18.77 -8 -17 -6 93.26 21.25 -8 17 5 209.92 24.43 -8 -17 -5 260.47 32.33 8 17 -5 223.97 28.62 8 17 -4 117.71 22.64 -8 17 4 150.36 21.21 -8 -17 -4 145.59 25.77 8 17 -3 25.51 16.85 -8 17 3 42.57 15.04 -8 -17 -3 80.14 20.79 8 17 -2 181.94 26.48 -8 17 2 216.50 23.67 -8 -17 -2 256.82 29.91 -8 17 1 307.04 27.80 -8 -17 -1 313.60 32.23 -8 17 0 122.02 18.85 -8 -17 0 142.81 24.39 -8 -17 1 344.74 33.32 8 17 1 314.78 25.04 -8 17 -1 309.66 28.71 8 17 2 196.90 20.31 -8 17 -2 185.95 23.73 -8 -17 2 191.76 24.53 8 17 3 75.06 13.18 -8 -17 3 119.35 21.39 8 17 4 183.22 18.37 8 17 5 235.00 20.54 8 17 6 119.34 15.41 8 17 7 244.99 21.89 8 17 8 179.23 20.09 8 17 9 305.79 25.62 8 17 10 48.42 14.20 8 17 11 143.86 19.70 8 17 12 52.60 15.38 8 17 13 85.31 18.53 8 17 14 32.17 14.43 8 17 15 261.36 27.57 8 18 -19 201.01 32.09 -8 18 18 64.42 19.62 8 18 -18 76.42 23.87 -8 -18 -17 32.80 24.81 -8 18 17 -1.18 14.49 8 18 -17 6.80 18.11 -8 -18 -16 8.06 22.32 -8 18 16 19.06 14.83 8 18 -16 48.05 20.70 -8 -18 -15 271.04 38.16 -8 18 15 303.55 32.23 8 18 -15 200.63 29.24 -8 -18 -14 79.96 25.86 -8 18 14 101.46 21.18 8 18 -14 87.14 24.00 8 18 -13 433.76 39.76 -8 18 13 504.41 39.21 -8 -18 -13 479.00 45.92 -8 -18 -12 5.12 21.14 -8 18 12 41.06 16.19 8 18 -12 4.67 15.85 -8 18 11 253.80 27.45 -8 -18 -11 274.22 34.98 8 18 -11 205.00 27.79 -8 -18 -10 59.31 21.47 8 18 -10 42.75 17.58 -8 18 10 62.39 15.57 -8 -18 -9 19.30 17.69 8 18 -9 53.79 19.61 -8 18 9 15.25 12.85 8 18 -8 58.24 19.39 -8 18 8 43.41 14.39 -8 -18 -8 32.60 17.90 8 18 -7 120.63 23.17 -8 18 7 98.31 18.26 -8 -18 -7 120.07 25.28 8 18 -6 40.20 17.19 -8 18 6 44.17 16.60 -8 -18 -6 21.72 18.62 -8 18 5 712.51 43.72 8 18 -5 686.00 48.93 -8 -18 -5 768.14 53.73 8 18 -4 27.40 17.10 -8 18 4 46.20 15.89 -8 -18 -4 67.93 21.53 8 18 -3 657.38 48.33 -8 18 3 735.44 44.12 -8 -18 -3 801.05 54.01 -8 18 2 105.90 19.35 8 18 -2 79.39 19.35 -8 -18 -2 119.61 23.50 8 18 -1 201.77 27.18 -8 18 1 168.51 22.58 -8 -18 -1 243.03 30.56 -8 -18 0 36.77 17.09 -8 18 0 39.44 14.27 -8 -18 1 273.51 29.61 -8 18 -1 235.55 26.06 -8 18 -2 78.01 17.19 8 18 2 111.36 16.64 -8 -18 2 114.87 22.53 8 18 3 709.10 38.26 -8 -18 3 651.00 44.14 8 18 4 40.80 12.41 8 18 5 676.68 37.50 8 18 6 68.92 14.58 8 18 7 107.70 16.69 8 18 8 76.81 16.05 8 18 9 40.34 12.94 8 18 10 67.73 15.18 8 18 11 333.88 29.54 8 18 12 1.34 12.07 8 19 -18 195.56 31.50 8 19 -17 66.59 21.71 -8 -19 -16 201.79 35.74 -8 19 16 226.74 28.97 8 19 -16 205.64 31.23 -8 -19 -15 75.57 27.05 -8 19 15 60.86 19.07 8 19 -15 38.13 18.37 -8 -19 -14 74.33 24.32 -8 19 14 76.52 21.23 8 19 -14 68.49 20.97 -8 19 13 69.41 19.14 -8 -19 -13 45.82 21.91 8 19 -13 27.47 17.64 -8 19 12 -3.89 15.27 -8 -19 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19 7 102.95 17.20 8 19 8 372.12 29.98 8 20 -18 76.49 24.93 8 20 -17 49.67 21.74 8 20 -16 96.52 24.89 -8 20 15 34.10 17.10 8 20 -15 18.33 19.83 -8 20 14 301.28 33.40 -8 -20 -14 267.89 37.90 8 20 -14 236.09 31.68 -8 20 13 58.58 19.18 -8 -20 -13 80.59 27.58 8 20 -13 37.10 19.35 8 20 -12 325.05 35.14 -8 -20 -12 360.50 41.40 -8 20 12 353.88 34.60 -8 -20 -11 22.58 19.64 8 20 -11 29.74 18.77 -8 20 11 62.55 18.90 8 20 -10 59.48 17.98 -8 20 10 90.26 20.95 -8 -20 -10 114.71 27.19 8 20 -9 70.19 20.02 -8 20 9 72.07 18.76 -8 -20 -9 56.00 22.98 8 20 -8 83.70 21.30 -8 20 8 39.50 15.67 -8 -20 -8 32.13 19.54 -8 20 7 119.61 21.68 8 20 -7 70.58 20.85 -8 -20 -7 59.23 21.92 8 20 -6 333.87 35.22 -8 20 6 329.59 31.53 -8 -20 -6 363.52 38.53 8 20 -5 62.74 21.16 -8 20 5 72.58 17.56 -8 -20 -5 76.10 22.49 -8 20 4 401.93 34.39 8 20 -4 342.67 36.42 -8 -20 -4 441.40 40.12 8 20 -3 97.84 22.98 -8 20 3 99.67 20.20 -8 -20 -3 109.77 25.53 8 20 -2 103.15 22.33 -8 20 2 139.43 22.21 -8 -20 -2 151.96 26.33 8 20 -1 37.66 16.62 -8 20 1 63.99 17.49 -8 -20 -1 79.58 23.14 -8 20 0 -8.70 14.84 -8 -20 0 -19.67 17.14 -8 20 -1 16.43 15.02 -8 -20 1 64.28 18.78 -8 -20 2 196.06 26.14 -8 20 -2 141.02 22.37 8 21 -17 180.02 30.18 8 21 -16 92.30 25.82 8 21 -15 130.79 25.89 8 21 -14 34.91 19.78 -8 -21 -13 31.63 23.35 8 21 -13 12.65 17.61 -8 21 13 19.22 17.82 -8 -21 -12 82.95 25.56 -8 21 12 77.58 20.05 8 21 -12 45.55 19.95 8 21 -11 67.42 21.08 -8 21 11 14.72 15.45 -8 -21 -11 80.47 26.03 -8 -21 -10 59.80 23.85 8 21 -10 -6.69 19.85 -8 21 10 67.55 19.81 8 21 -9 214.24 29.32 -8 21 9 197.83 27.23 -8 -21 -9 227.71 32.81 -8 21 8 48.73 17.55 8 21 -8 43.28 19.43 -8 -21 -8 45.84 22.40 -8 21 7 154.40 24.38 8 21 -7 147.50 25.37 -8 -21 -7 188.07 30.71 8 21 -6 38.02 18.74 -8 21 6 46.66 17.75 -8 -21 -6 57.90 22.39 8 21 -5 53.37 20.47 -8 21 5 68.43 18.64 -8 -21 -5 112.16 26.10 -8 21 4 74.42 17.82 8 21 -4 50.02 18.72 -8 -21 -4 85.75 24.79 8 21 -3 21.97 17.61 -8 21 3 38.36 15.80 -8 -21 -3 49.42 21.07 -8 21 2 82.28 19.83 8 21 -2 60.07 19.36 -8 -21 -2 114.38 23.34 8 21 -1 200.68 29.35 -8 21 1 189.15 26.38 -8 -21 -1 215.68 29.17 8 21 0 -9.95 19.99 -8 21 0 16.89 13.94 -8 -21 0 9.91 16.37 -8 -21 1 202.12 28.13 -8 21 -1 138.93 23.24 -8 -21 2 134.59 24.10 8 22 -16 40.96 21.62 8 22 -15 121.04 27.11 8 22 -14 30.75 19.88 8 22 -13 134.35 26.29 8 22 -12 54.85 20.53 -8 -22 -12 80.60 26.02 8 22 -11 74.99 20.90 -8 22 11 117.24 24.48 -8 -22 -11 108.68 28.35 8 22 -10 19.94 17.00 -8 22 10 80.57 21.81 -8 -22 -10 71.35 24.85 8 22 -9 -22.52 17.79 -8 22 9 28.75 17.52 -8 -22 -9 18.02 18.98 8 22 -8 72.01 21.38 -8 22 8 70.26 19.01 -8 -22 -8 87.28 24.61 8 22 -7 72.30 21.94 -8 22 7 46.76 18.39 -8 -22 -7 19.89 20.01 8 22 -6 61.17 21.29 -8 22 6 59.11 19.44 -8 -22 -6 100.59 27.29 8 22 -5 160.53 28.14 -8 22 5 152.91 25.18 -8 -22 -5 156.96 28.90 8 22 -4 105.06 22.99 -8 22 4 138.03 23.91 -8 -22 -4 108.04 26.50 8 22 -3 115.43 24.85 -8 22 3 108.48 22.62 -8 -22 -3 143.15 26.92 8 22 -2 31.70 17.83 -8 22 2 43.46 18.71 -8 -22 -2 63.33 21.13 8 22 -1 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184.79 15.14 9 9 9 161.96 22.34 -9 9 -9 184.86 15.50 9 9 10 350.59 31.81 9 -9 -10 361.45 27.47 -9 9 -10 371.71 21.96 9 9 11 41.47 16.36 9 -9 -11 68.72 16.25 -9 9 -11 70.05 10.87 9 9 12 483.79 38.95 9 -9 -12 477.42 33.64 9 9 13 2.17 14.64 9 -9 -13 7.21 11.85 9 9 14 474.80 39.87 9 -9 -14 505.77 36.57 9 9 15 19.04 17.19 9 -9 -15 38.83 16.47 9 9 16 24.04 15.88 9 -9 -16 55.34 17.76 9 9 17 78.29 22.21 9 -9 -17 68.37 18.66 9 9 18 71.21 21.60 9 -9 -18 68.68 19.34 9 9 19 19.71 19.27 9 -9 -19 16.13 15.43 9 -9 -20 365.94 35.56 9 9 20 327.84 39.52 9 9 21 34.17 21.09 9 -9 -21 16.28 18.97 9 9 22 228.87 35.77 9 -9 -22 195.19 29.15 9 -9 -23 31.55 21.85 9 -9 -24 94.51 27.65 -9 -10 -22 -6.72 22.68 9 10 -22 16.34 20.60 -9 -10 -21 1.19 22.40 9 10 -21 -50.11 25.19 -9 -10 -20 29.20 20.62 9 10 -20 38.76 18.30 -9 -10 -19 178.63 30.87 9 10 -19 235.79 32.16 -9 -10 -18 114.35 27.76 9 10 -18 100.04 24.27 -9 -10 -17 168.39 30.12 9 10 -17 209.34 30.44 -9 -10 -16 63.02 22.52 9 10 -16 57.94 18.99 -9 -10 -15 197.38 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-10 -1 427.70 34.77 9 -10 0 753.34 31.44 -9 10 0 821.87 38.53 -9 -10 0 809.78 46.98 9 -10 -1 494.27 24.44 -9 10 -1 488.11 29.08 -9 -10 1 493.77 35.53 9 -10 -2 4.13 6.79 -9 -10 2 15.64 14.04 9 -10 -3 158.62 14.32 9 10 3 162.35 12.11 -9 -10 3 176.34 22.05 9 -10 -4 84.53 11.99 9 10 4 98.68 17.80 9 10 4 102.79 9.84 9 -10 -5 101.56 13.18 9 10 5 108.77 18.68 9 10 5 102.22 10.13 9 -10 -6 98.39 13.73 9 10 6 101.70 19.16 9 10 6 98.48 9.69 9 10 7 241.28 26.45 9 -10 -7 308.57 22.96 9 10 7 285.63 17.12 9 10 8 155.99 13.58 9 10 8 131.74 21.26 9 -10 -8 168.37 18.37 9 10 9 432.05 23.89 9 10 9 385.77 34.26 9 -10 -9 382.31 27.36 9 10 10 126.81 13.92 9 10 10 107.00 20.74 9 -10 -10 103.59 16.03 9 10 11 238.64 29.01 9 -10 -11 313.27 26.03 9 10 12 96.68 20.33 9 -10 -12 90.56 16.32 9 10 13 62.37 18.51 9 -10 -13 53.38 15.66 9 10 14 29.67 17.99 9 -10 -14 37.17 14.95 9 10 15 224.78 30.34 9 -10 -15 242.54 26.50 9 10 16 85.25 22.60 9 -10 -16 72.00 17.84 9 10 17 161.42 29.07 9 -10 -17 210.18 26.19 9 10 18 82.85 23.36 9 -10 -18 76.92 19.32 9 10 19 162.29 29.88 9 -10 -19 190.46 26.38 9 10 20 48.68 22.69 9 -10 -20 21.59 16.51 9 10 21 31.56 24.17 9 -10 -21 16.83 17.46 9 -10 -22 18.85 18.02 9 10 22 27.42 24.37 9 -10 -23 101.78 24.86 9 -10 -24 88.83 26.37 9 11 -22 -11.86 20.22 -9 -11 -21 304.93 39.81 9 11 -21 329.09 36.88 -9 -11 -20 33.02 21.30 9 11 -20 66.44 22.98 -9 -11 -19 92.73 28.00 9 11 -19 143.39 27.67 -9 -11 -18 8.85 20.59 9 11 -18 52.94 21.63 -9 -11 -17 19.31 20.30 9 11 -17 33.15 18.54 -9 -11 -16 -1.37 20.68 9 11 -16 10.88 16.82 -9 -11 -15 261.97 35.32 9 11 -15 241.03 31.45 -9 -11 -14 88.09 24.90 -9 11 14 120.45 18.47 9 11 -14 113.51 22.92 -9 -11 -13 320.48 36.05 -9 11 13 408.74 30.02 9 11 -13 316.96 33.85 -9 -11 -12 33.64 19.85 9 11 -12 -18.74 19.76 -9 11 12 13.09 10.88 -9 11 11 459.65 31.16 9 11 -11 448.06 38.21 -9 -11 -11 464.51 40.15 -9 -11 -10 20.71 15.31 -9 11 10 43.95 11.43 9 11 -10 62.57 18.59 -9 -11 -9 82.48 19.91 -9 11 9 129.40 16.94 9 11 -9 142.85 24.75 -9 -11 -8 61.73 18.34 -9 11 8 85.95 14.79 9 11 -8 111.55 22.67 -9 11 7 44.34 11.09 9 11 -7 61.89 20.67 -9 -11 -7 56.25 18.36 9 11 -6 -13.82 17.78 -9 -11 -6 12.35 14.05 -9 11 6 0.72 9.82 -9 -11 -5 900.16 53.51 -9 11 5 849.37 40.15 9 11 -5 843.41 54.67 9 11 -4 116.90 23.84 -9 11 4 136.37 15.81 -9 -11 -4 117.98 20.83 9 11 -3 438.33 39.83 -9 11 3 500.09 29.37 -9 -11 -3 518.42 39.88 -9 -11 -2 44.02 16.61 -9 11 2 66.34 12.26 9 11 -2 16.55 15.81 9 -11 1 239.25 13.74 -9 11 1 227.86 20.33 -9 -11 -1 236.70 27.79 9 -11 0 10.88 5.86 -9 11 0 -0.77 9.22 -9 -11 0 -12.61 16.01 -9 -11 1 203.46 24.22 -9 11 -1 193.92 19.34 9 -11 -1 197.98 13.53 9 -11 -2 56.59 9.16 -9 -11 2 40.61 16.01 -9 -11 3 420.46 33.71 9 11 3 456.05 22.06 9 -11 -3 433.16 23.01 9 11 4 135.92 11.86 9 -11 -4 142.49 13.50 9 -11 -5 774.53 35.02 9 11 5 825.84 32.09 9 11 6 30.96 15.06 9 -11 -6 14.76 8.82 9 11 6 14.62 6.22 9 11 7 31.86 14.63 9 -11 -7 55.20 11.23 9 11 7 45.54 8.35 9 11 8 51.21 9.34 9 11 8 48.64 16.60 9 -11 -8 70.15 13.60 9 11 9 88.64 11.59 9 11 9 92.46 20.24 9 -11 -9 79.84 14.54 9 11 10 34.04 8.83 9 11 10 70.21 19.65 9 -11 -10 40.18 12.24 9 11 11 492.78 28.50 9 11 11 406.89 36.60 9 -11 -11 490.08 31.71 9 11 12 14.18 16.77 9 -11 -12 17.71 12.80 9 11 13 326.75 34.18 9 -11 -13 429.82 31.23 9 11 14 81.25 21.71 9 -11 -14 99.74 17.99 9 11 15 232.92 30.70 9 -11 -15 242.75 25.78 9 11 16 27.01 19.85 9 -11 -16 40.73 16.47 9 11 17 17.35 18.47 9 -11 -17 0.27 14.74 9 11 18 49.02 21.14 9 -11 -18 47.38 17.19 9 11 19 112.84 27.31 9 -11 -19 70.63 20.05 9 11 20 29.14 21.11 9 -11 -20 9.40 16.56 9 -11 -21 271.52 32.68 9 11 21 366.18 42.59 9 -11 -22 -3.74 18.02 9 -11 -23 243.27 33.85 9 -11 -24 38.95 22.04 -9 -12 -21 48.89 23.10 9 12 -21 8.35 21.37 -9 -12 -20 48.62 23.18 9 12 -20 98.22 27.29 -9 -12 -19 52.32 26.06 9 12 -19 49.40 21.17 -9 -12 -18 308.93 39.25 9 12 -18 374.38 38.67 -9 -12 -17 121.39 27.28 9 12 -17 89.71 23.13 -9 -12 -16 117.28 27.45 -9 12 16 117.70 19.73 9 12 -16 118.30 25.00 -9 -12 -15 124.26 27.53 -9 12 15 141.78 20.60 9 12 -15 102.79 22.84 -9 -12 -14 118.75 26.16 -9 12 14 147.18 20.35 9 12 -14 98.86 24.08 -9 -12 -13 95.28 22.15 -9 12 13 130.98 18.58 9 12 -13 77.12 20.10 -9 -12 -12 117.07 25.78 9 12 -12 68.32 19.58 -9 12 12 102.41 16.79 -9 -12 -11 102.10 24.00 -9 12 11 128.10 17.63 9 12 -11 81.07 21.03 -9 12 10 360.77 27.41 -9 -12 -10 346.82 34.99 9 12 -10 430.05 37.88 -9 -12 -9 240.21 30.18 9 12 -9 257.80 30.19 -9 12 9 242.75 22.16 9 12 -8 641.52 48.03 -9 12 8 733.68 38.34 -9 -12 -8 737.40 49.38 -9 12 7 121.25 17.08 9 12 -7 83.99 20.86 -9 -12 -7 116.61 23.67 -9 12 6 195.33 19.93 9 12 -6 215.85 28.89 -9 -12 -6 226.74 27.79 9 12 -5 75.88 21.49 -9 12 5 79.80 13.81 -9 -12 -5 52.18 17.51 9 12 -4 5.58 17.22 -9 12 4 32.27 11.59 -9 -12 -4 46.61 18.04 9 12 -3 73.57 21.04 -9 12 3 90.68 14.76 -9 -12 -3 90.88 20.42 9 12 -2 702.37 48.86 -9 12 2 702.58 37.59 -9 -12 -2 801.61 49.49 -9 12 1 67.02 13.24 -9 -12 -1 63.70 17.26 -9 12 0 466.86 30.56 -9 -12 0 428.20 36.14 -9 12 -1 113.99 16.49 -9 -12 1 119.96 20.00 -9 -12 2 685.05 44.09 9 12 3 104.70 11.33 -9 -12 3 79.70 18.61 9 -12 -4 18.92 7.68 9 12 4 14.86 6.86 9 -12 -5 70.96 10.69 9 12 5 66.46 9.78 9 -12 -6 208.54 16.99 9 12 6 193.37 15.12 9 -12 -7 94.58 13.06 9 12 7 79.86 10.63 9 12 8 738.01 48.81 9 -12 -8 822.24 38.08 9 12 8 795.78 35.24 9 12 9 191.44 25.54 9 -12 -9 204.17 19.15 9 12 9 179.44 16.50 9 12 10 367.05 24.48 9 12 10 313.06 32.55 9 -12 -10 353.65 25.73 9 12 11 182.46 18.36 9 12 11 165.61 27.01 9 -12 -11 169.38 19.74 9 12 12 82.02 14.28 9 12 12 50.70 19.46 9 -12 -12 68.02 14.54 9 12 13 67.66 13.89 9 12 13 46.12 17.37 9 -12 -13 84.14 17.07 9 12 14 104.20 22.75 9 -12 -14 107.30 17.40 9 12 15 135.64 26.03 9 -12 -15 121.68 19.66 9 12 16 151.93 27.38 9 -12 -16 171.76 23.07 9 12 17 85.23 23.90 9 -12 -17 92.30 19.04 9 -12 -18 395.86 34.79 9 12 18 418.58 43.01 9 12 19 35.46 22.80 9 -12 -19 58.54 18.66 9 -12 -20 96.83 20.69 9 12 20 85.51 25.88 9 -12 -21 66.93 20.89 9 12 21 65.58 26.03 9 -12 -22 41.56 20.84 9 -12 -23 28.84 18.41 9 -12 -24 119.35 27.44 9 13 -21 64.00 21.96 9 13 -20 341.93 38.55 -9 -13 -20 258.24 38.49 -9 -13 -19 11.06 21.86 9 13 -19 40.04 20.58 -9 -13 -18 58.00 23.83 -9 13 18 50.59 17.31 9 13 -18 46.48 21.66 -9 -13 -17 65.30 22.20 -9 13 17 48.40 15.86 9 13 -17 62.39 22.00 -9 -13 -16 127.48 27.56 -9 13 16 154.28 22.22 9 13 -16 93.40 21.24 -9 -13 -15 60.30 24.06 -9 13 15 94.73 17.93 9 13 -15 73.83 22.49 -9 -13 -14 331.27 38.53 -9 13 14 350.77 29.66 9 13 -14 274.82 32.08 9 13 -13 15.97 17.69 -9 -13 -13 24.11 18.89 -9 13 13 8.52 11.80 -9 13 12 864.92 45.64 9 13 -12 772.62 52.37 -9 -13 -12 808.34 56.44 -9 -13 -11 55.63 20.23 -9 13 11 88.29 16.71 9 13 -11 37.22 16.98 -9 -13 -10 208.42 29.91 -9 13 10 178.50 20.54 9 13 -10 261.16 30.95 -9 -13 -9 -2.04 16.60 -9 13 9 7.49 10.74 9 13 -9 15.29 16.07 -9 -13 -8 161.91 26.36 -9 13 8 119.68 16.96 9 13 -8 140.66 23.44 9 13 -7 33.70 16.45 -9 13 7 37.09 12.13 -9 -13 -7 43.81 18.06 9 13 -6 568.84 44.40 -9 13 6 597.29 34.85 -9 -13 -6 614.34 45.73 9 13 -5 171.83 27.22 -9 13 5 166.83 18.87 -9 -13 -5 198.46 27.96 9 13 -4 527.30 41.79 -9 13 4 517.07 32.21 -9 -13 -4 526.27 41.88 9 13 -3 126.48 24.18 -9 13 3 136.07 16.99 -9 -13 -3 159.12 25.22 9 13 -2 392.69 37.30 -9 13 2 432.88 29.58 -9 -13 -2 466.81 38.75 -9 13 1 84.72 14.33 -9 -13 -1 78.58 20.84 -9 13 0 6.04 10.30 -9 -13 0 -9.35 15.67 -9 13 -1 57.91 13.87 -9 -13 1 101.65 20.81 -9 -13 2 495.63 37.75 9 13 3 156.16 14.55 -9 -13 3 151.74 22.64 9 13 4 549.94 27.15 9 13 5 161.95 14.37 9 13 6 547.48 27.23 9 13 7 25.53 8.83 9 13 8 121.62 14.12 9 13 9 0.80 8.57 9 -13 -9 6.50 8.50 9 13 10 174.64 25.54 9 -13 -10 211.83 19.43 9 13 10 233.81 20.37 9 13 11 132.36 16.24 9 13 11 122.63 22.83 9 -13 -11 127.74 16.90 9 13 12 832.55 55.26 9 -13 -12 886.59 44.06 9 13 13 41.97 18.80 9 -13 -13 32.42 12.73 9 -13 -14 361.31 28.98 9 13 14 311.68 34.76 9 13 15 65.51 21.87 9 -13 -15 68.69 16.94 9 13 16 133.13 26.68 9 -13 -16 91.74 18.47 9 13 17 102.75 25.80 9 -13 -17 96.55 19.58 9 13 18 83.80 24.85 9 -13 -18 51.64 17.60 9 -13 -19 22.09 15.91 9 13 19 25.68 19.51 9 -13 -20 310.46 33.64 9 13 20 371.92 43.09 9 -13 -21 111.23 24.49 9 -13 -22 260.60 32.69 9 -13 -23 17.86 18.37 9 -13 -24 78.45 23.22 -9 14 21 18.38 15.84 -9 14 20 85.74 20.37 9 14 -20 93.85 25.10 -9 -14 -19 151.22 32.28 -9 14 19 157.70 24.06 9 14 -19 172.83 29.77 -9 -14 -18 3.57 20.31 -9 14 18 26.50 15.24 9 14 -18 50.60 22.64 -9 -14 -17 375.76 43.28 -9 14 17 346.04 32.21 9 14 -17 358.79 38.05 -9 -14 -16 75.34 24.16 -9 14 16 53.74 16.61 9 14 -16 45.55 20.37 -9 -14 -15 263.63 36.57 -9 14 15 408.12 33.50 9 14 -15 300.83 35.75 -9 -14 -14 26.27 20.02 -9 14 14 20.48 13.19 9 14 -14 24.73 16.15 9 14 -13 17.73 17.73 -9 -14 -13 66.47 23.67 -9 14 13 63.37 17.47 -9 -14 -12 137.42 26.62 -9 14 12 146.72 20.59 9 14 -12 122.81 24.16 -9 -14 -11 207.06 31.23 -9 14 11 180.57 21.61 9 14 -11 180.93 26.99 -9 -14 -10 173.37 28.90 -9 14 10 176.04 21.65 9 14 -10 194.89 27.67 9 14 -9 323.28 33.63 -9 14 9 356.65 28.40 -9 -14 -9 352.14 36.81 9 14 -8 30.70 16.80 -9 -14 -8 31.61 17.54 -9 14 8 24.29 12.16 9 14 -7 400.08 37.48 -9 14 7 383.01 29.23 -9 -14 -7 422.73 38.69 -9 14 6 53.93 12.93 9 14 -6 83.12 22.56 -9 -14 -6 80.34 20.01 9 14 -5 42.69 19.01 -9 14 5 38.12 13.34 -9 -14 -5 40.22 17.65 9 14 -4 62.62 18.29 -9 14 4 100.46 15.95 -9 -14 -4 137.92 24.48 9 14 -3 237.88 30.41 -9 14 3 231.55 22.39 -9 -14 -3 305.24 32.29 9 14 -2 29.80 16.13 -9 14 2 37.38 12.46 -9 -14 -2 36.94 18.69 -9 14 1 319.64 25.94 -9 -14 -1 354.76 33.51 -9 -14 0 49.52 18.25 -9 14 0 29.92 12.39 -9 14 -1 255.96 24.56 -9 -14 1 297.00 31.86 9 14 2 21.66 7.84 -9 -14 2 47.20 17.85 9 14 3 209.16 17.73 -9 -14 3 217.31 25.69 9 14 4 107.70 12.94 9 14 5 46.40 9.38 9 14 6 54.25 10.46 9 14 12 142.84 25.83 9 14 13 69.13 21.36 9 14 14 22.02 18.90 9 14 15 373.81 38.74 9 14 16 42.92 20.90 9 14 17 341.99 38.75 9 14 18 29.22 21.85 9 14 19 163.99 30.99 -9 15 20 138.06 24.04 9 15 -20 177.09 30.79 -9 15 19 215.29 28.41 9 15 -19 273.60 34.97 -9 -15 -18 42.51 22.89 -9 15 18 41.51 16.73 9 15 -18 76.82 24.16 -9 -15 -17 7.28 18.63 -9 15 17 15.11 13.65 9 15 -17 37.01 18.79 -9 -15 -16 -4.03 19.47 -9 15 16 22.83 15.01 9 15 -16 34.88 18.97 -9 -15 -15 144.48 28.30 -9 15 15 144.33 22.59 9 15 -15 103.19 23.42 -9 -15 -14 45.04 21.31 -9 15 14 94.57 19.75 9 15 -14 96.89 22.59 -9 15 13 473.23 35.96 9 15 -13 423.16 40.08 -9 -15 -13 483.58 46.10 -9 -15 -12 89.41 23.16 -9 15 12 100.95 17.96 9 15 -12 87.69 20.87 -9 -15 -11 172.66 29.20 -9 15 11 195.84 22.84 9 15 -11 183.29 27.86 -9 -15 -10 43.75 17.88 -9 15 10 66.35 15.13 9 15 -10 71.04 20.53 -9 15 9 14.47 10.89 -9 -15 -9 33.74 19.65 9 15 -9 47.26 18.32 9 15 -8 82.12 22.72 -9 15 8 51.00 13.81 -9 -15 -8 62.31 21.02 9 15 -7 214.98 29.23 -9 15 7 220.85 23.29 -9 -15 -7 200.34 29.19 9 15 -6 121.74 24.48 -9 15 6 99.09 16.99 -9 -15 -6 140.17 26.56 -9 15 5 280.73 25.47 9 15 -5 307.67 33.93 -9 -15 -5 338.97 35.24 9 15 -4 98.87 22.26 -9 15 4 129.15 18.20 -9 -15 -4 136.72 25.11 9 15 -3 209.34 29.73 -9 15 3 307.65 26.62 -9 -15 -3 350.58 35.53 9 15 -2 10.03 15.80 -9 15 2 29.14 12.79 -9 -15 -2 18.05 16.40 -9 -15 -1 6.04 16.15 -9 15 1 4.96 10.99 -9 15 0 -19.29 13.38 -9 -15 0 6.39 14.69 -9 15 -1 -1.47 11.75 -9 -15 1 0.60 15.31 -9 -15 2 33.37 16.61 -9 -15 3 427.72 35.96 9 15 16 7.46 19.50 9 15 17 -6.75 20.38 9 15 18 4.69 16.63 -9 16 19 29.17 16.79 9 16 -19 46.55 22.02 -9 16 18 218.52 28.32 9 16 -18 232.03 33.38 -9 -16 -17 2.79 19.92 -9 16 17 6.87 14.46 9 16 -17 20.38 19.40 -9 16 16 305.78 31.89 -9 -16 -16 316.92 40.99 9 16 -16 296.83 34.92 -9 -16 -15 27.15 21.51 -9 16 15 17.06 16.41 9 16 -15 33.36 19.96 9 16 -14 103.28 23.79 -9 -16 -14 95.52 25.83 -9 16 14 108.42 20.61 9 16 -13 -1.96 18.40 -9 -16 -13 15.13 19.26 -9 16 13 49.18 16.40 -9 -16 -12 17.55 17.92 -9 16 12 14.22 12.74 9 16 -12 25.46 17.03 -9 -16 -11 0.95 18.53 -9 16 11 12.55 12.98 9 16 -11 -6.81 18.46 -9 -16 -10 191.86 30.08 -9 16 10 213.73 24.52 9 16 -10 253.48 31.87 9 16 -9 19.83 16.34 -9 16 9 1.47 12.45 -9 -16 -9 -19.52 18.83 -9 16 8 240.62 24.47 9 16 -8 215.16 29.77 -9 -16 -8 290.27 34.61 9 16 -7 -0.72 14.83 -9 16 7 1.59 10.52 -9 -16 -7 -24.76 19.26 9 16 -6 188.26 28.22 -9 16 6 179.05 21.74 -9 -16 -6 234.10 31.98 9 16 -5 36.02 18.93 -9 16 5 50.97 14.21 -9 -16 -5 50.84 21.59 9 16 -4 68.44 21.46 -9 16 4 68.15 16.27 -9 -16 -4 40.05 18.29 9 16 -3 63.99 20.31 -9 16 3 68.03 14.98 -9 -16 -3 78.10 22.81 9 16 -2 169.08 26.96 -9 16 2 192.41 22.35 -9 -16 -2 203.02 28.57 -9 16 1 5.40 12.01 -9 -16 -1 18.86 17.14 -9 16 0 311.25 28.91 -9 -16 0 392.95 36.89 -9 16 -1 18.30 12.87 -9 -16 1 -2.21 13.83 -9 -16 2 124.85 23.02 -9 -16 3 77.19 20.12 -9 17 18 18.47 15.99 9 17 -18 37.40 22.63 -9 17 17 -14.92 15.21 9 17 -17 16.07 19.84 -9 -17 -16 30.69 19.84 -9 17 16 87.11 20.44 9 17 -16 61.13 21.12 -9 -17 -15 143.85 28.48 -9 17 15 117.26 22.90 9 17 -15 139.41 27.43 -9 -17 -14 80.56 25.71 -9 17 14 92.35 19.79 9 17 -14 75.80 21.38 -9 -17 -13 212.38 34.57 -9 17 13 210.86 26.17 9 17 -13 156.77 27.19 -9 -17 -12 112.60 26.39 -9 17 12 172.17 23.84 9 17 -12 97.01 22.04 -9 17 11 106.89 20.12 -9 -17 -11 112.72 26.88 9 17 -11 109.19 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8 -7 319.51 34.08 -10 -8 -7 292.44 31.11 -10 8 7 312.19 21.85 10 8 -6 416.90 37.83 -10 -8 -6 411.66 35.09 -10 8 6 357.35 23.59 10 -8 5 372.11 25.85 10 8 -5 412.67 38.17 -10 8 5 371.72 23.31 -10 -8 -5 406.36 35.14 10 8 -4 345.62 36.78 10 -8 4 332.10 24.38 -10 8 4 336.33 22.18 -10 -8 -4 338.17 31.33 10 8 -3 231.56 30.19 10 -8 3 240.76 20.13 -10 8 3 251.81 18.62 -10 -8 -3 204.48 25.54 10 -8 2 232.04 19.42 10 8 -2 241.71 30.12 -10 8 2 257.84 19.14 -10 -8 -2 278.06 28.73 10 -8 1 400.90 25.20 -10 8 1 390.09 23.77 -10 -8 -1 376.74 32.89 10 -8 0 94.89 12.95 -10 8 0 99.65 12.85 -10 -8 0 79.54 18.61 10 8 1 400.72 29.06 10 -8 -1 417.12 25.55 -10 -8 1 403.17 33.07 10 8 2 318.44 26.33 10 -8 -2 262.06 20.76 -10 -8 2 243.13 26.65 10 8 3 248.76 24.35 10 -8 -3 259.21 21.20 10 -8 -4 372.64 25.26 10 8 4 376.78 30.26 10 -8 -5 385.47 26.13 10 8 5 374.83 29.90 10 -8 -6 341.90 25.30 10 8 6 329.88 29.72 10 -8 -7 337.62 25.58 10 8 7 303.49 28.38 -10 8 -7 313.41 21.73 10 -8 -8 54.33 14.12 10 8 8 53.07 16.86 -10 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46.77 -10 -9 -15 13.41 18.97 10 9 -15 52.64 21.32 -10 -9 -14 160.39 27.85 10 9 -14 166.21 28.08 -10 -9 -13 -6.18 17.92 -10 9 13 41.62 13.46 10 9 -13 -1.52 18.37 -10 -9 -12 35.41 18.43 10 9 -12 -6.62 18.43 -10 9 12 32.83 12.25 -10 -9 -11 144.91 26.43 -10 9 11 112.45 16.26 10 9 -11 89.46 22.52 -10 9 10 406.28 27.19 10 9 -10 375.50 36.61 -10 -9 -10 421.80 38.74 -10 -9 -9 -12.79 18.21 -10 9 9 -4.67 9.58 10 9 -8 688.35 49.65 -10 -9 -8 738.30 48.72 -10 9 8 682.87 34.93 -10 9 7 58.67 11.53 10 9 -7 55.14 20.24 -10 -9 -7 47.18 18.21 -10 9 6 362.46 24.40 10 9 -6 404.11 38.73 10 -9 6 404.98 27.17 -10 -9 -6 356.87 33.65 10 9 -5 49.40 20.20 10 -9 5 94.45 15.06 -10 9 5 84.50 12.22 -10 -9 -5 84.96 19.94 10 9 -4 41.11 19.03 10 -9 4 45.19 10.60 -10 9 4 55.31 10.75 -10 -9 -4 67.16 20.02 10 9 -3 214.21 30.03 10 -9 3 231.97 19.27 -10 9 3 227.39 18.78 -10 -9 -3 249.56 28.41 -10 9 2 382.77 24.70 -10 -9 -2 375.58 34.44 10 9 -2 383.78 37.63 10 -9 2 387.52 24.18 10 -9 1 16.74 7.79 -10 9 1 14.36 8.08 -10 -9 -1 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23.34 10 -9 -23 -2.48 18.50 -10 -10 -21 240.92 38.08 10 10 -21 317.65 36.95 -10 -10 -20 66.65 25.92 10 10 -20 80.59 22.86 -10 -10 -19 160.15 31.64 10 10 -19 206.64 31.18 -10 -10 -18 73.89 25.81 10 10 -18 117.97 26.98 -10 -10 -17 11.46 18.23 10 10 -17 29.51 21.14 -10 -10 -16 59.75 23.92 10 10 -16 52.63 20.39 -10 -10 -15 44.67 21.87 -10 10 15 38.02 13.87 10 10 -15 26.84 19.35 -10 -10 -14 194.26 30.48 -10 10 14 206.10 22.41 10 10 -14 180.77 28.77 -10 -10 -13 337.43 35.96 -10 10 13 370.73 28.78 10 10 -13 336.55 35.92 -10 -10 -12 143.58 27.42 10 10 -12 101.34 22.56 -10 10 12 169.07 19.56 -10 10 11 396.68 28.21 10 10 -11 355.05 34.62 -10 -10 -11 322.09 35.57 -10 -10 -10 64.72 20.84 -10 10 10 62.99 13.70 10 10 -10 79.63 20.70 -10 -10 -9 125.50 23.81 -10 10 9 107.74 15.53 10 10 -9 166.52 27.84 -10 10 8 58.28 12.58 10 10 -8 119.43 25.14 -10 -10 -8 89.79 21.91 10 10 -7 340.64 36.62 -10 10 7 324.30 24.25 -10 -10 -7 368.07 34.98 10 10 -6 179.74 28.07 -10 10 6 152.47 16.56 -10 -10 -6 168.26 25.34 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10 -10 -14 270.93 27.84 10 10 15 81.89 21.29 10 -10 -15 75.69 18.54 10 10 16 52.99 19.18 10 -10 -16 80.62 19.46 10 10 17 -0.63 18.22 10 -10 -17 -1.04 14.24 10 10 18 105.38 26.57 10 -10 -18 73.77 20.03 10 10 19 188.94 33.14 10 -10 -19 214.36 28.33 10 10 20 149.28 32.10 10 -10 -20 87.52 21.88 10 -10 -21 234.58 30.29 10 -10 -22 144.36 27.25 10 -10 -23 78.13 24.36 -10 -11 -20 7.19 22.38 10 11 -20 47.37 23.26 -10 -11 -19 161.32 30.31 10 11 -19 317.78 38.01 -10 -11 -18 56.43 23.31 10 11 -18 63.72 22.66 -10 -11 -17 379.67 42.41 10 11 -17 306.68 35.75 -10 -11 -16 42.17 21.42 -10 11 16 32.20 14.78 10 11 -16 20.37 19.41 -10 -11 -15 273.44 36.42 -10 11 15 274.52 25.74 10 11 -15 256.51 33.51 -10 -11 -14 13.66 18.91 -10 11 14 22.59 12.49 10 11 -14 7.36 16.11 10 11 -13 55.68 21.12 -10 -11 -13 40.90 20.02 -10 11 13 80.17 15.93 -10 -11 -12 -10.02 17.97 -10 11 12 33.67 12.92 10 11 -12 3.18 16.66 -10 -11 -11 121.06 24.52 -10 11 11 136.39 18.60 10 11 -11 124.66 23.35 -10 -11 -10 185.64 28.22 10 11 -10 179.34 28.01 -10 11 10 196.79 21.02 10 11 -9 651.57 48.53 -10 -11 -9 654.09 48.19 -10 11 9 628.81 36.24 -10 11 8 2.06 9.35 -10 -11 -8 10.07 14.63 10 11 -7 565.26 45.48 -10 11 7 524.33 31.98 -10 -11 -7 529.03 43.10 10 11 -6 404.38 39.63 -10 11 6 397.70 27.33 -10 -11 -6 401.45 37.69 10 11 -5 68.42 21.33 -10 11 5 86.73 13.77 -10 -11 -5 69.83 19.55 10 11 -4 35.58 18.08 -10 11 4 70.13 13.19 -10 -11 -4 72.08 20.68 10 11 -3 59.77 21.06 -10 11 3 100.09 14.05 -10 -11 -3 122.60 23.05 10 11 -2 58.94 20.25 -10 11 2 46.16 11.27 -10 -11 -2 43.66 17.60 -10 11 1 705.89 37.18 -10 -11 -1 675.07 46.27 -10 11 0 333.96 25.53 -10 -11 0 319.82 32.29 -10 11 -1 781.11 40.14 -10 -11 1 776.68 49.34 -10 -11 2 57.62 16.74 10 -11 -3 114.69 12.25 -10 -11 3 119.75 21.27 10 -11 -4 71.08 10.85 10 -11 -5 50.40 10.55 10 11 6 373.81 32.92 10 -11 -6 396.34 25.41 10 11 7 501.28 38.73 10 -11 -7 587.91 32.02 10 11 8 43.83 17.41 10 -11 -8 18.01 10.32 10 11 9 546.07 42.18 10 -11 -9 624.07 35.10 10 11 10 188.21 26.79 10 -11 -10 235.08 22.62 10 11 11 162.66 26.28 10 -11 -11 189.09 21.40 10 11 12 -5.05 16.04 10 -11 -12 26.05 12.80 10 11 13 51.04 18.67 10 -11 -13 74.11 16.61 10 11 14 21.32 18.99 10 -11 -14 28.79 14.38 10 11 15 225.02 31.36 10 -11 -15 213.10 24.82 10 11 16 19.25 18.49 10 -11 -16 47.00 16.91 10 11 17 369.52 40.21 10 -11 -17 349.46 32.47 10 11 18 73.72 22.64 10 -11 -18 100.53 21.09 10 11 19 226.18 34.20 10 -11 -19 156.61 24.92 10 11 20 28.33 21.77 10 -11 -20 22.88 17.74 10 -11 -21 13.41 17.88 10 -11 -22 32.99 19.66 10 -11 -23 150.51 29.47 10 12 -20 267.65 35.90 -10 -12 -19 70.46 25.83 10 12 -19 97.13 25.70 -10 -12 -18 52.41 23.78 -10 12 18 64.46 17.19 10 12 -18 51.47 21.41 -10 -12 -17 17.43 22.39 -10 12 17 43.86 16.66 10 12 -17 41.16 20.69 -10 -12 -16 53.25 24.37 -10 12 16 31.71 14.65 10 12 -16 40.99 21.37 -10 -12 -15 109.46 26.81 -10 12 15 82.69 17.74 10 12 -15 53.81 19.19 -10 12 14 331.63 28.63 10 12 -14 281.09 34.33 -10 -12 -14 365.60 39.77 10 12 -13 165.16 26.88 -10 -12 -13 207.65 32.19 -10 12 13 199.92 23.04 -10 12 12 454.31 32.89 10 12 -12 448.43 40.83 -10 -12 -12 459.95 42.38 -10 -12 -11 90.59 23.40 -10 12 11 83.24 16.32 10 12 -11 85.47 20.69 -10 -12 -10 226.79 30.62 10 12 -10 280.87 33.36 -10 12 10 295.59 25.31 -10 12 9 53.82 13.24 10 12 -9 78.08 20.69 -10 -12 -9 68.90 21.04 -10 12 8 -6.84 11.61 10 12 -8 -8.39 17.34 -10 -12 -8 -4.43 17.62 10 12 -7 65.70 22.77 -10 12 7 71.87 14.23 -10 -12 -7 61.04 21.00 10 12 -6 191.38 28.75 -10 12 6 260.58 22.69 -10 -12 -6 249.90 31.03 10 12 -5 138.38 25.33 -10 12 5 132.74 17.25 -10 -12 -5 174.38 26.55 10 12 -4 824.97 56.97 -10 12 4 798.57 41.08 -10 -12 -4 854.55 53.89 10 12 -3 144.34 25.44 -10 12 3 199.51 19.37 -10 -12 -3 204.45 28.85 -10 12 2 474.16 30.02 -10 -12 -2 483.20 39.37 10 12 -2 416.39 39.98 -10 12 1 248.86 22.25 -10 -12 -1 250.89 29.74 -10 12 0 -6.80 11.63 -10 -12 0 16.04 16.17 -10 12 -1 223.39 21.53 -10 -12 1 252.20 29.76 -10 -12 2 429.89 36.49 -10 -12 3 185.50 26.04 10 12 7 56.53 17.72 10 12 8 27.23 15.56 10 12 9 49.40 18.33 10 -12 -9 64.55 13.52 10 12 10 249.91 30.73 10 -12 -10 267.35 23.01 10 12 11 72.17 20.06 10 -12 -11 124.33 17.98 10 12 12 437.12 38.87 10 -12 -12 409.46 30.04 10 12 13 177.98 27.35 10 -12 -13 195.79 22.26 10 12 14 304.02 34.80 10 -12 -14 357.12 30.27 10 12 15 99.88 25.75 10 -12 -15 94.71 18.72 10 12 16 43.97 20.52 10 -12 -16 53.39 15.47 10 12 17 25.40 18.60 10 -12 -17 28.91 15.26 10 12 18 50.88 23.38 10 -12 -18 46.17 19.17 10 12 19 81.56 26.35 10 -12 -19 95.55 22.19 10 -12 -20 203.57 28.22 10 -12 -21 75.63 22.01 10 -12 -22 255.23 32.02 10 -12 -23 42.94 21.04 -10 13 21 41.12 18.22 -10 13 20 49.98 17.19 -10 13 19 84.79 20.06 10 13 -19 101.72 24.89 -10 -13 -18 257.12 39.70 -10 13 18 264.91 28.80 10 13 -18 254.27 34.94 -10 -13 -17 62.43 26.81 -10 13 17 62.61 17.26 10 13 -17 53.25 22.66 -10 -13 -16 371.30 44.26 -10 13 16 390.31 33.46 10 13 -16 330.36 37.67 -10 -13 -15 39.88 22.72 -10 13 15 80.20 18.16 10 13 -15 73.57 22.66 -10 -13 -14 104.95 27.16 -10 13 14 68.03 17.17 10 13 -14 64.04 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10 13 10 451.73 39.48 10 13 11 41.90 18.20 10 13 12 46.26 17.55 10 13 13 146.54 27.71 10 13 14 100.35 23.10 10 13 15 64.76 21.17 10 13 16 333.44 38.22 10 13 17 48.27 21.86 10 13 18 253.58 35.69 -10 14 20 25.40 16.40 -10 14 19 245.52 29.06 -10 14 18 4.24 14.12 10 14 -18 3.06 19.61 -10 -14 -17 -8.80 21.13 -10 14 17 -4.00 14.91 10 14 -17 21.01 20.07 -10 -14 -16 43.70 24.93 -10 14 16 60.30 17.77 10 14 -16 11.27 16.49 -10 -14 -15 194.94 33.76 -10 14 15 203.97 25.30 10 14 -15 243.01 33.02 -10 -14 -14 93.06 27.03 -10 14 14 129.75 21.24 10 14 -14 86.47 24.34 -10 14 13 625.68 41.40 10 14 -13 526.78 45.68 -10 -14 -13 608.95 51.35 -10 -14 -12 31.10 20.45 -10 14 12 38.58 15.71 10 14 -12 -1.19 19.37 10 14 -11 453.84 40.48 -10 14 11 463.74 33.87 -10 -14 -11 451.04 43.07 -10 -14 -10 80.59 23.39 -10 14 10 76.42 16.68 10 14 -10 135.06 26.11 10 14 -9 21.60 17.48 -10 -14 -9 -3.92 16.23 -10 14 9 -7.65 12.44 10 14 -8 101.91 24.03 -10 14 8 114.80 17.97 -10 -14 -8 102.56 23.11 10 14 -7 187.80 29.98 -10 14 7 172.13 20.20 -10 -14 -7 220.39 30.26 10 14 -6 22.39 15.81 -10 14 6 66.01 14.81 -10 -14 -6 32.96 19.02 -10 14 5 686.50 40.12 10 14 -5 683.50 51.60 -10 -14 -5 720.64 51.08 10 14 -4 117.50 23.94 -10 14 4 141.41 18.89 -10 -14 -4 183.74 29.33 10 14 -3 396.14 40.06 -10 14 3 465.62 31.89 -10 -14 -3 503.56 41.90 10 14 -2 11.33 17.69 -10 14 2 13.62 10.89 -10 -14 -2 17.92 16.57 -10 14 1 13.77 10.50 -10 -14 -1 42.31 19.57 -10 14 0 17.06 10.92 -10 -14 0 19.62 15.16 -10 14 -1 28.67 11.83 -10 -14 1 51.85 18.90 -10 -14 2 27.48 17.58 -10 -14 3 469.30 38.73 10 14 12 22.37 17.87 10 14 13 625.89 48.74 10 14 14 51.71 20.49 10 14 15 200.69 31.20 10 14 16 31.53 20.87 10 14 17 -3.40 19.83 -10 15 19 76.84 19.17 -10 15 18 115.77 22.02 10 15 -18 189.00 32.63 -10 15 17 232.22 28.51 10 15 -17 235.46 33.96 -10 -15 -16 150.18 31.57 -10 15 16 197.06 26.56 10 15 -16 176.67 28.86 -10 -15 -15 110.76 28.06 -10 15 15 131.79 21.34 10 15 -15 98.89 24.93 -10 -15 -14 86.02 24.43 -10 15 14 135.17 22.41 10 15 -14 145.37 27.67 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181.03 32.80 -10 16 18 84.02 20.19 -10 16 17 22.37 15.26 10 16 -17 41.37 22.40 -10 16 16 44.82 18.25 10 16 -16 41.13 19.62 -10 -16 -15 9.51 20.31 -10 16 15 25.21 16.55 10 16 -15 41.54 22.33 -10 -16 -14 413.48 44.26 10 16 -14 296.47 35.75 -10 16 14 401.85 35.26 -10 -16 -13 13.59 21.89 10 16 -13 7.30 16.10 -10 16 13 5.69 13.25 10 16 -12 332.26 37.17 -10 16 12 376.26 32.23 -10 -16 -12 406.36 43.11 -10 -16 -11 24.09 20.75 -10 16 11 -2.52 12.76 10 16 -11 -0.37 16.58 10 16 -10 157.24 27.52 -10 16 10 132.51 20.49 -10 -16 -10 151.93 29.23 10 16 -9 42.51 19.08 -10 16 9 23.91 12.66 -10 -16 -9 -2.90 20.13 10 16 -8 48.87 21.36 -10 16 8 21.63 13.18 -10 -16 -8 32.81 18.46 10 16 -7 13.65 16.60 -10 16 7 -11.50 13.92 -10 -16 -7 -5.05 16.41 10 16 -6 308.17 36.33 -10 16 6 352.55 29.02 -10 -16 -6 378.78 38.67 -10 16 5 2.00 10.66 10 16 -5 -9.11 17.87 -10 -16 -5 19.29 17.54 10 16 -4 629.07 51.14 -10 16 4 664.19 40.49 -10 -16 -4 710.63 52.33 -10 16 3 -5.81 11.95 10 16 -3 21.85 20.53 -10 -16 -3 6.98 16.40 10 16 -2 253.55 32.71 -10 16 2 253.70 26.15 -10 -16 -2 325.81 35.79 10 16 -1 7.10 15.69 -10 16 1 15.05 13.23 -10 -16 -1 20.64 19.06 -10 16 0 -3.07 12.29 -10 -16 0 18.47 18.49 -10 16 -1 -18.21 15.74 -10 -16 1 42.12 20.99 -10 -16 2 295.93 33.41 -10 17 17 98.28 21.86 -10 17 16 116.36 22.81 10 17 -16 92.12 24.55 -10 17 15 114.09 22.67 10 17 -15 149.14 28.30 -10 -17 -14 70.57 25.94 -10 17 14 62.23 16.83 10 17 -14 60.36 22.37 -10 -17 -13 23.45 22.07 10 17 -13 -4.85 16.63 -10 17 13 12.02 15.64 -10 17 12 26.55 13.91 -10 -17 -12 9.31 18.93 10 17 -12 -2.74 19.42 10 17 -11 72.41 21.33 -10 17 11 118.55 20.93 -10 -17 -11 98.49 26.64 10 17 -10 79.92 23.11 -10 17 10 40.12 15.44 -10 -17 -10 37.08 20.43 10 17 -9 267.81 34.12 -10 17 9 229.85 26.85 -10 -17 -9 270.19 35.37 -10 17 8 128.59 20.54 10 17 -8 136.60 24.81 -10 -17 -8 136.58 27.43 10 17 -7 282.03 34.50 -10 17 7 254.52 26.83 -10 -17 -7 292.18 36.39 10 17 -6 105.02 26.03 -10 17 6 101.62 18.48 -10 -17 -6 152.91 28.30 10 17 -5 45.91 20.91 -10 17 5 38.62 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9 7 0.77 8.06 11 9 -6 590.15 49.32 -11 9 6 590.43 31.99 -11 -9 -6 693.88 47.57 11 9 -5 18.42 20.17 -11 9 5 10.60 9.23 -11 -9 -5 11.02 16.46 11 9 -4 1248.74 74.81 -11 9 4 1226.68 49.59 -11 -9 -4 1213.64 65.48 -11 9 3 44.17 10.61 11 9 -3 38.28 19.45 -11 -9 -3 52.10 19.21 11 -9 3 31.91 11.31 -11 9 2 540.79 30.62 11 9 -2 498.52 47.04 -11 -9 -2 586.76 43.49 11 -9 2 623.72 33.30 11 -9 1 40.62 10.76 -11 9 1 47.51 10.32 -11 -9 -1 63.29 19.59 11 9 -1 12.10 21.03 11 -9 0 5.31 8.74 -11 -9 0 -7.06 15.19 -11 -9 1 41.77 17.74 11 -9 -1 37.51 10.87 11 -9 -2 611.53 33.19 -11 -9 2 639.29 43.61 11 9 3 57.11 16.46 11 -9 -3 25.10 9.71 11 -9 -4 982.30 44.94 11 9 4 986.15 52.81 11 -9 -5 19.65 11.23 11 9 5 4.90 12.09 11 -9 -6 673.93 37.01 11 9 6 664.58 43.58 11 -9 -7 -10.16 10.97 11 9 7 0.79 13.09 11 -9 -8 51.42 13.26 11 9 8 63.93 17.40 11 -9 -9 7.12 11.08 11 9 9 1.54 13.51 11 9 10 404.17 35.97 11 -9 -10 401.80 31.33 11 -9 -11 40.80 14.93 11 9 11 35.36 17.28 11 9 12 738.48 50.67 11 -9 -12 767.99 45.14 11 9 13 32.25 17.09 11 -9 -13 26.35 13.68 11 9 14 572.22 46.13 11 -9 -14 589.26 40.42 11 9 15 10.51 17.79 11 -9 -15 17.87 15.19 11 9 16 58.57 18.07 11 -9 -16 112.98 21.77 11 9 17 21.26 18.14 11 -9 -17 19.78 16.14 11 9 18 120.92 28.20 11 -9 -18 137.21 24.92 11 9 19 -12.43 21.02 11 -9 -19 24.64 17.27 11 -9 -20 378.23 37.19 11 9 20 319.05 41.21 11 -9 -21 23.12 20.26 11 -9 -22 389.88 40.25 -11 -10 -19 173.11 32.56 11 10 -19 221.19 32.08 -11 -10 -18 146.78 31.54 11 10 -18 88.43 24.26 -11 -10 -17 513.89 49.05 -11 10 17 518.64 36.05 11 10 -17 498.17 46.39 -11 -10 -16 52.32 23.70 -11 10 16 74.74 16.77 11 10 -16 58.68 24.03 -11 10 15 310.79 27.27 11 10 -15 272.71 34.56 -11 -10 -15 346.80 40.20 -11 -10 -14 129.18 26.77 -11 10 14 89.89 16.74 11 10 -14 60.12 20.76 11 10 -13 97.96 24.62 -11 -10 -13 132.90 28.38 -11 10 13 121.88 17.84 -11 -10 -12 14.73 18.67 11 10 -12 -1.75 17.09 -11 10 12 -5.23 10.52 -11 -10 -11 142.44 26.85 -11 10 11 136.56 17.85 11 10 -11 76.48 23.34 -11 10 10 92.21 15.66 11 10 -10 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425.52 30.20 11 10 10 141.01 24.37 11 -10 -10 149.28 20.75 11 10 11 180.38 26.85 11 -10 -11 189.30 22.01 11 10 12 17.13 16.99 11 -10 -12 15.22 13.59 11 10 13 103.37 22.61 11 -10 -13 100.78 18.88 11 10 14 79.71 21.68 11 -10 -14 96.04 19.06 11 10 15 333.52 36.57 11 -10 -15 318.37 31.06 11 10 16 65.72 23.36 11 -10 -16 79.21 19.41 11 10 17 483.14 45.71 11 -10 -17 611.04 43.63 11 10 18 88.32 25.10 11 -10 -18 128.28 23.92 11 10 19 232.87 34.81 11 -10 -19 276.56 31.66 11 -10 -20 45.28 20.92 11 -10 -21 -29.43 18.35 11 -10 -22 17.59 19.32 -11 11 19 343.79 32.21 -11 -11 -18 22.34 23.93 -11 11 18 34.52 14.45 11 11 -18 39.39 23.64 -11 -11 -17 26.35 23.51 -11 11 17 46.93 16.03 11 11 -17 9.26 21.26 -11 -11 -16 16.39 20.71 -11 11 16 15.09 13.44 11 11 -16 7.03 16.86 -11 -11 -15 288.02 38.35 -11 11 15 273.09 26.15 11 11 -15 203.59 31.04 -11 -11 -14 59.47 23.28 -11 11 14 15.27 13.05 11 11 -14 36.21 20.64 -11 11 13 459.13 32.33 11 11 -13 387.16 40.14 -11 -11 -13 403.21 42.03 -11 -11 -12 69.02 23.17 -11 11 12 45.73 13.83 11 11 -12 15.22 21.16 11 11 -11 505.46 44.61 -11 -11 -11 497.26 44.95 -11 11 11 521.81 33.71 -11 11 10 31.38 11.62 11 11 -10 69.35 23.25 -11 -11 -10 29.81 20.11 -11 11 9 39.30 11.87 11 11 -9 78.40 22.67 -11 -11 -9 45.73 17.91 11 11 -8 15.25 19.90 -11 -11 -8 0.07 15.08 -11 11 8 -1.12 10.42 11 11 -7 176.88 29.56 -11 11 7 170.64 19.37 -11 -11 -7 189.57 27.94 11 11 -6 12.66 19.33 -11 11 6 29.68 11.66 -11 -11 -6 8.45 15.17 -11 11 5 891.91 42.76 11 11 -5 890.65 61.49 -11 -11 -5 919.15 57.37 11 11 -4 103.73 26.21 -11 11 4 106.06 15.32 -11 -11 -4 122.62 25.47 11 11 -3 730.39 55.00 -11 11 3 699.51 36.97 -11 -11 -3 674.64 49.13 -11 11 2 19.25 9.88 11 11 -2 0.47 18.73 -11 -11 -2 6.67 16.28 -11 11 1 249.97 22.47 11 11 -1 206.61 32.15 -11 -11 -1 253.83 30.90 -11 11 0 11.51 10.09 -11 -11 0 7.65 15.38 -11 -11 1 213.62 27.40 -11 -11 2 21.87 16.77 11 11 6 10.61 14.88 11 11 7 237.11 27.92 11 11 8 -0.81 13.88 11 11 9 57.30 19.08 11 -11 -9 72.58 14.82 11 11 10 43.40 19.04 11 -11 -10 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234.25 32.47 11 12 15 38.51 20.90 11 12 16 513.25 47.04 11 12 17 44.66 22.24 11 12 18 298.67 38.14 -11 13 21 104.98 21.98 -11 13 20 272.78 30.17 -11 13 19 61.87 18.80 -11 13 18 34.26 15.96 -11 -13 -17 5.71 22.08 -11 13 17 14.77 13.70 11 13 -17 15.73 20.38 -11 -13 -16 78.12 28.01 -11 13 16 41.74 15.49 11 13 -16 52.67 23.24 -11 -13 -15 15.19 22.03 -11 13 15 32.39 14.21 11 13 -15 9.69 19.49 -11 13 14 266.72 26.75 -11 -13 -14 208.82 33.50 11 13 -14 213.71 31.91 -11 -13 -13 138.08 28.50 11 13 -13 92.96 24.13 -11 13 13 128.68 20.50 11 13 -12 468.76 43.82 -11 -13 -12 443.10 44.33 -11 13 12 478.68 34.07 -11 13 11 140.13 19.84 11 13 -11 116.69 23.46 -11 -13 -11 163.45 29.52 -11 13 10 103.98 17.69 11 13 -10 186.93 30.54 -11 -13 -10 130.75 28.73 11 13 -9 22.56 17.15 -11 13 9 2.22 10.79 -11 -13 -9 -7.28 19.88 11 13 -8 18.17 20.46 -11 13 8 9.63 11.17 -11 -13 -8 -3.98 16.52 11 13 -7 15.35 16.89 -11 13 7 8.69 10.65 -11 -13 -7 44.94 19.32 11 13 -6 496.64 46.05 -11 13 6 473.12 32.17 -11 -13 -6 490.46 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-16 178.47 33.19 -16 -1 -15 42.03 21.37 -16 -1 -14 35.95 19.83 -16 -1 -13 39.54 20.63 16 1 -12 28.50 21.47 -16 -1 -12 4.19 17.75 16 1 -11 95.45 27.00 -16 -1 -11 60.51 21.86 -16 -1 -10 134.64 26.52 16 1 -10 99.83 25.77 16 1 -9 31.60 20.92 -16 -1 -9 91.98 23.34 16 1 -8 94.15 23.70 -16 -1 -8 165.43 27.06 16 1 -7 121.96 25.64 -16 -1 -7 181.53 27.47 16 1 -6 76.24 21.02 16 -1 6 52.56 19.52 -16 -1 -6 93.71 21.86 16 1 -5 75.22 24.42 16 -1 5 56.28 19.57 16 1 -4 91.24 25.37 16 -1 4 5.04 19.28 16 -1 3 27.73 17.37 16 1 -3 62.60 22.78 16 -1 2 52.25 18.58 16 1 -2 87.19 23.16 16 1 -1 106.23 24.05 16 -1 1 99.13 24.26 16 -1 0 101.12 23.62 16 1 0 128.69 25.92 16 -1 -1 94.73 23.20 16 1 1 109.94 25.18 16 1 2 20.40 18.45 16 -1 -2 87.97 22.10 16 -1 -3 67.34 21.92 16 1 3 46.68 22.03 16 -1 -4 71.21 22.20 16 1 4 34.74 19.56 16 -1 -5 6.73 17.91 16 1 5 22.75 17.77 16 -1 -6 24.71 16.97 16 1 6 81.75 21.40 16 -1 -7 189.02 28.23 16 1 7 167.87 27.83 -16 1 -7 164.77 25.90 -16 1 -8 112.09 22.64 16 -1 -8 80.94 21.86 -16 1 -9 94.14 21.47 16 -1 -9 71.31 22.60 16 -1 -10 132.07 27.03 -16 1 -10 135.84 24.87 16 -1 -11 116.99 25.21 -16 1 -11 87.92 24.20 16 -1 -12 10.67 18.11 -16 1 -12 7.43 17.69 16 -1 -13 59.88 22.98 -16 -2 -15 33.38 22.06 -16 -2 -14 72.51 23.99 -16 -2 -13 9.41 18.97 16 2 -12 191.24 33.05 -16 -2 -12 136.91 26.88 16 2 -11 17.97 19.70 -16 -2 -11 15.81 18.44 -16 -2 -10 54.45 20.77 16 2 -10 59.09 24.05 16 2 -9 103.85 24.25 -16 -2 -9 121.05 25.87 16 2 -8 -7.90 18.04 -16 -2 -8 11.49 18.80 16 -2 7 39.62 19.04 16 2 -7 52.13 20.31 -16 -2 -7 50.93 20.28 -16 -2 -6 67.52 20.44 16 -2 6 40.22 18.98 16 -2 5 -7.27 16.56 16 2 -5 65.78 25.98 -16 -2 -5 53.10 20.59 16 -2 4 127.89 25.57 16 2 -4 187.02 31.83 16 2 -3 45.55 21.33 16 -2 3 16.31 15.93 16 2 -2 93.57 24.66 16 -2 2 76.69 21.86 16 -2 1 51.68 19.56 16 2 -1 80.39 23.21 16 -2 0 17.02 17.69 16 2 0 -28.10 21.70 16 2 1 53.70 22.84 16 -2 -1 102.37 24.20 16 2 2 42.49 21.32 16 -2 -2 81.08 21.01 16 2 3 9.95 20.46 16 -2 -3 55.20 20.22 16 -2 -4 91.62 21.85 16 2 4 87.45 25.09 16 -2 -5 -3.83 16.35 16 2 5 -44.27 25.24 16 -2 -6 10.22 17.84 16 2 6 29.67 18.41 16 -2 -7 37.55 18.30 16 2 7 45.50 20.99 16 2 8 22.68 17.40 -16 2 -8 6.98 15.17 16 -2 -8 0.49 17.93 16 2 9 75.64 21.28 16 -2 -9 69.22 21.78 -16 2 -9 102.66 22.18 16 2 10 40.71 19.44 16 -2 -10 39.80 19.70 16 2 11 -13.01 17.72 16 -2 -11 48.03 23.07 16 -2 -12 160.27 28.18 16 2 12 92.80 23.38 16 -2 -13 10.48 19.95 16 2 13 -14.89 19.00 16 -2 -14 103.86 26.97 -16 -3 -14 60.02 24.99 -16 -3 -13 35.04 21.07 -16 -3 -12 45.28 23.18 -16 -3 -11 44.52 22.11 16 3 -11 43.47 23.70 16 3 -10 6.30 20.83 -16 -3 -10 33.46 20.63 16 3 -9 120.45 27.74 -16 -3 -9 111.99 25.86 16 3 -8 15.73 19.41 -16 -3 -8 50.43 20.27 16 3 -7 49.22 22.51 -16 -3 -7 145.82 27.26 16 3 -6 80.95 25.76 -16 -3 -6 60.37 21.39 16 -3 5 27.87 18.11 16 3 -5 66.56 25.51 -16 -3 -5 61.40 22.09 16 -3 4 96.30 25.03 16 3 -4 61.42 24.58 16 3 -3 46.86 22.88 16 -3 3 10.71 16.64 16 3 -2 16.38 18.51 16 -3 2 11.02 16.24 16 -3 1 220.19 31.82 16 3 -1 188.20 32.09 16 -3 0 110.99 25.33 16 3 0 106.38 27.85 16 3 1 169.78 30.68 16 -3 -1 225.45 30.25 16 -3 -2 43.47 19.10 16 3 2 31.57 20.88 16 3 3 -2.91 20.73 16 -3 -3 45.86 15.02 16 -3 -4 23.83 16.64 16 3 4 67.59 21.00 16 -3 -5 14.33 17.79 16 -3 -6 -9.79 19.09 16 3 6 44.84 18.80 16 3 7 167.71 28.57 16 -3 -7 122.62 24.67 16 3 8 48.95 20.26 16 -3 -8 40.23 18.81 16 3 9 105.58 24.16 16 -3 -9 129.40 24.94 16 3 10 37.60 18.18 16 -3 -10 21.74 18.09 16 -3 -11 107.78 25.69 16 3 11 73.10 21.99 16 -3 -12 71.14 23.77 16 3 12 58.23 18.65 16 -3 -13 6.62 18.58 16 3 13 -8.28 17.87 16 -3 -14 88.01 24.92 -16 -4 -13 128.68 29.79 -16 -4 -12 30.97 21.78 -16 -4 -11 50.28 23.30 16 4 -10 19.58 22.16 -16 -4 -10 41.00 21.01 16 4 -9 -16.15 22.45 -16 -4 -9 39.29 21.52 16 4 -8 64.42 24.02 -16 -4 -8 100.71 24.87 16 4 -7 43.64 23.53 -16 -4 -7 23.22 20.12 16 4 -6 46.01 24.35 -16 -4 -6 43.66 21.96 16 4 -5 124.04 29.87 -16 -4 -5 167.25 28.95 16 4 -4 7.99 20.86 -16 -4 -4 34.62 19.47 16 4 -3 157.54 31.99 16 4 -2 19.68 20.90 16 4 -1 31.34 21.46 16 4 0 39.76 22.99 16 -4 0 85.06 22.73 16 4 1 30.03 22.16 16 -4 -1 83.07 23.23 16 4 2 25.07 21.00 16 -4 -2 64.99 20.20 16 -4 -3 129.26 22.96 16 4 3 196.65 34.28 16 4 4 -4.98 23.07 16 -4 -4 -6.55 18.11 16 -4 -5 63.31 19.89 16 4 6 30.09 16.93 16 -4 -6 10.47 17.65 16 4 7 36.75 17.06 16 -4 -7 8.31 15.83 16 4 8 142.04 26.94 16 -4 -8 86.81 22.93 16 4 9 57.51 20.22 16 -4 -9 60.24 20.93 16 -4 -10 64.34 23.63 16 4 10 27.56 18.88 16 -4 -11 46.72 22.08 16 4 11 14.93 17.11 16 -4 -12 43.77 21.53 16 4 12 -7.64 18.24 16 -4 -13 153.45 29.17 16 4 13 138.85 27.44 16 -4 -14 65.33 23.46 -16 -5 -12 -27.69 22.93 -16 -5 -11 113.09 26.70 -16 -5 -10 139.94 28.30 16 5 -9 -39.88 27.84 -16 -5 -9 -0.21 17.29 16 5 -8 176.40 31.60 -16 -5 -8 179.45 31.69 16 5 -7 56.63 26.22 -16 -5 -7 11.86 16.59 16 5 -6 142.81 30.44 -16 -5 -6 131.17 27.19 16 5 -5 178.06 33.98 -16 -5 -5 137.94 27.54 16 5 -4 10.09 18.88 -16 -5 -4 27.48 20.38 16 5 -3 104.65 30.05 16 5 -2 80.14 27.66 16 5 -1 64.87 27.50 16 5 0 283.49 42.28 16 5 1 -53.64 31.34 16 5 2 37.59 25.15 16 5 3 27.08 23.19 16 5 4 0.15 25.36 16 5 6 102.54 24.07 16 5 7 32.53 20.33 16 5 8 210.10 31.58 16 -5 -8 211.69 30.38 16 -5 -9 16.69 20.32 16 5 9 24.02 19.96 16 -5 -10 227.76 32.61 16 5 10 218.87 32.03 16 -5 -11 157.88 29.64 16 5 11 84.35 21.88 16 -5 -12 29.42 20.65 16 5 12 -11.62 19.32 16 -5 -13 84.27 23.62 16 -5 -14 -49.71 24.53 16 -5 -15 -3.29 19.99 -16 -6 -10 58.57 24.03 -16 -6 -9 101.29 26.20 16 6 -8 34.10 28.15 -16 -6 -8 13.77 17.98 16 6 -7 150.85 34.89 -16 -6 -7 91.90 25.61 16 6 -6 221.51 39.63 -16 -6 -6 88.97 24.94 -16 -6 -5 47.96 20.77 16 6 -5 43.64 27.57 16 6 -4 144.37 33.52 -16 -6 -4 105.02 23.76 16 6 -3 40.29 24.12 -16 -6 -3 103.41 25.21 16 6 -2 39.58 23.66 16 6 -1 102.64 27.56 16 6 0 19.61 20.64 16 6 1 61.64 24.78 16 6 2 70.83 25.72 16 6 3 106.98 30.08 16 6 4 66.44 24.87 16 6 6 212.17 31.92 16 6 7 70.71 22.32 16 6 8 55.43 20.11 16 6 9 130.01 25.70 16 6 10 50.61 19.48 16 6 11 62.44 22.61 16 6 12 173.19 30.93 -16 -7 -9 138.18 28.56 -16 -7 -8 39.99 22.72 16 7 -7 168.77 35.75 -16 -7 -7 173.10 30.84 16 7 -6 118.75 31.92 -16 -7 -6 115.05 27.27 -16 -7 -5 13.21 18.99 16 7 -5 52.40 26.12 16 7 -4 109.77 31.87 -16 -7 -4 92.81 26.21 16 7 -3 82.40 30.81 -16 -7 -3 91.30 26.35 16 7 -2 82.95 31.08 16 7 -1 202.18 38.14 16 7 0 -19.38 27.39 16 7 1 198.99 36.45 16 7 2 42.00 24.36 16 7 3 53.56 25.30 16 7 6 59.10 21.84 16 7 7 116.57 25.06 16 7 8 54.41 23.29 16 7 9 176.75 30.21 16 7 10 21.04 19.37 16 7 11 63.98 24.16 16 7 12 142.05 28.13 -16 -8 -7 57.04 23.51 -16 -8 -6 21.01 20.89 16 8 -5 83.14 32.29 -16 -8 -5 116.91 27.66 16 8 -4 72.44 28.55 -16 -8 -4 61.95 23.67 16 8 -3 143.52 35.42 -16 -8 -3 143.94 29.08 16 8 -2 125.35 35.50 16 8 -1 22.74 25.49 16 8 0 147.33 36.36 16 8 1 0.34 26.95 16 8 2 8.39 26.15 16 8 3 144.80 34.12 16 8 6 38.23 18.27 16 8 7 79.16 23.47 16 8 8 124.16 26.09 16 8 9 34.32 19.80 16 8 10 102.55 25.47 16 8 11 67.84 23.84 -16 -9 -4 -18.49 21.96 16 9 -3 43.86 25.14 -16 -9 -3 99.08 28.47 16 9 -2 64.76 28.21 16 9 -1 -8.75 23.05 16 9 0 189.35 39.15 16 9 1 7.53 25.96 16 9 2 63.74 30.40 16 9 3 7.56 28.00 16 9 6 32.95 19.73 16 9 7 11.16 19.11 16 9 8 108.88 24.37 16 9 9 12.18 19.56 16 9 10 115.31 26.72 16 10 7 23.08 18.88 16 10 8 38.34 20.73 16 10 9 10.36 18.45 16 10 10 107.04 28.04 16 11 9 52.13 21.91 17 0 0 7.34 18.23 17 0 -1 245.37 33.70 17 0 1 295.43 36.84 17 0 -2 116.04 26.71 17 0 2 118.11 25.87 17 0 3 7.35 16.93 17 0 -3 54.41 21.91 17 0 -4 119.27 27.14 17 0 4 57.91 21.08 17 0 5 -2.53 19.05 17 0 -5 -6.78 20.55 17 0 -6 110.98 25.64 17 0 6 85.38 24.89 17 0 -7 71.87 23.95 17 0 7 86.50 24.45 17 0 -8 -6.48 19.52 -17 0 -8 21.33 19.01 -17 0 -9 299.56 35.54 17 0 -9 287.42 37.76 17 0 -10 73.31 26.72 -17 0 -10 104.96 25.87 -17 -1 -13 31.92 19.41 -17 -1 -12 65.83 23.93 -17 -1 -11 80.34 24.05 -17 -1 -10 75.24 22.78 -17 -1 -9 38.33 20.35 17 1 -9 12.39 20.59 17 1 -8 39.97 20.26 -17 -1 -8 113.76 26.68 17 -1 7 42.63 20.86 17 1 -7 29.06 19.94 17 -1 6 22.62 17.68 17 1 -6 42.48 20.58 17 1 -5 59.84 21.97 17 -1 5 37.66 19.22 17 -1 4 78.34 24.82 17 1 -4 87.38 24.13 17 -1 3 76.63 23.60 17 1 -3 85.16 24.26 17 -1 2 37.18 19.41 17 1 -2 87.27 24.96 17 1 -1 74.78 23.34 17 -1 1 94.71 24.29 17 -1 0 37.36 18.52 17 1 0 59.63 22.83 17 1 1 83.73 23.33 17 -1 -1 92.36 24.73 17 1 2 52.25 19.92 17 -1 -2 70.93 22.13 17 1 3 27.68 17.81 17 -1 -3 77.94 23.06 17 -1 -4 55.12 22.02 17 1 4 51.48 22.02 17 -1 -5 10.49 18.89 17 1 5 16.97 17.62 17 -1 -6 33.54 18.63 17 1 6 14.35 17.82 17 -1 -7 59.95 21.38 17 1 7 75.30 24.88 17 -1 -8 40.67 19.94 17 -1 -9 58.33 22.37 17 1 10 66.05 20.38 17 -1 -10 89.18 24.32 17 1 11 74.76 20.98 -17 -2 -12 28.92 22.36 -17 -2 -11 27.11 20.21 -17 -2 -10 96.57 26.61 -17 -2 -9 51.49 23.47 17 2 -8 167.71 30.63 -17 -2 -8 255.41 34.82 17 2 -7 -0.96 21.50 -17 -2 -7 76.33 23.20 17 2 -6 59.40 21.90 17 2 -5 151.26 30.26 17 2 -4 19.31 19.70 17 -2 3 54.09 23.05 17 2 -3 19.85 19.15 17 2 -2 127.17 28.32 17 -2 2 115.57 27.74 17 -2 1 10.16 18.43 17 2 -1 20.16 19.04 17 2 0 216.23 34.00 17 -2 0 216.27 32.56 17 -2 -1 58.17 22.46 17 2 1 50.43 21.59 17 2 2 131.90 28.36 17 -2 -2 199.45 32.19 17 -2 -3 63.43 21.05 17 2 3 60.43 21.60 17 2 4 -20.40 22.97 17 -2 -4 -25.52 21.89 17 -2 -5 59.96 19.95 17 2 5 82.14 25.31 17 -2 -6 28.25 17.58 17 2 6 74.06 25.49 17 -2 -7 37.67 21.64 17 -2 -8 208.73 31.97 17 -2 -9 26.22 21.48 17 2 10 23.77 19.22 17 -2 -10 85.53 25.10 17 -2 -11 33.29 20.71 17 2 11 41.96 19.29 -17 -3 -10 55.59 23.67 -17 -3 -9 85.70 24.73 -17 -3 -8 43.18 22.22 17 3 -7 2.20 20.66 -17 -3 -7 53.92 22.75 17 3 -6 44.02 20.65 -17 -3 -6 31.64 18.66 17 3 -5 101.78 28.00 17 3 -4 64.89 24.41 17 3 -3 128.62 29.29 17 3 -2 90.57 26.83 17 3 -1 34.69 20.83 17 3 0 84.04 25.99 17 3 1 57.92 24.87 17 3 2 56.69 24.27 17 -3 -3 28.53 19.58 17 3 3 66.92 25.72 17 -3 -4 46.52 18.92 17 3 4 15.62 21.25 17 3 5 27.41 22.05 17 -3 -5 60.32 21.15 17 3 6 9.56 21.52 17 -3 -6 16.57 17.44 17 -3 -7 16.07 20.28 17 -3 -8 38.56 20.20 17 3 9 71.70 22.69 17 -3 -9 71.79 23.85 17 3 10 73.99 23.35 17 -3 -10 77.48 23.46 17 -3 -11 174.99 30.63 17 3 11 98.94 25.79 -17 -4 -8 84.37 25.89 -17 -4 -7 156.17 29.66 17 4 -6 107.08 30.20 -17 -4 -6 127.22 28.85 17 4 -5 66.05 27.30 17 4 -4 38.07 23.07 17 4 -3 19.32 21.06 17 4 -2 143.35 31.71 17 4 -1 210.12 37.02 17 4 0 43.92 25.13 17 4 1 188.58 35.95 17 4 2 34.63 24.79 17 4 3 21.39 23.31 17 4 4 20.42 23.00 17 4 5 39.17 22.38 17 4 6 100.61 27.69 17 4 9 103.25 25.78 17 4 10 35.21 22.23 17 4 11 0.20 18.30 -17 -5 -6 140.51 30.35 -17 -5 -5 40.05 21.18 17 5 -4 300.99 43.59 17 5 -3 68.71 29.69 17 5 -2 56.44 27.24 17 5 -1 133.50 32.52 17 5 0 -13.78 24.95 17 5 1 89.06 28.52 17 5 2 82.96 27.59 17 5 3 -22.04 23.66 17 5 4 196.85 36.43 17 5 5 3.14 24.28 17 5 9 137.17 29.38 17 5 10 72.85 24.22 17 6 0 37.42 23.40 17 6 1 130.25 33.70 17 6 2 84.64 29.62 17 6 3 42.64 26.47 17 6 9 101.10 27.69 17 6 10 93.97 25.67 17 7 9 -0.35 18.63 17 8 9 133.31 30.04 18 0 0 304.63 40.08 18 0 1 44.17 22.19 18 0 -1 22.05 20.25 18 0 2 96.10 26.23 18 0 -2 99.99 25.60 18 0 -3 106.18 27.43 18 0 3 52.72 23.59 18 0 4 27.37 22.48 18 0 -4 -18.43 19.57 18 0 -5 112.06 26.77 18 0 5 135.10 30.85 18 1 -3 213.66 35.23 18 1 -2 110.94 27.18 18 1 -1 57.51 23.44 18 1 0 119.04 28.48 18 -1 0 145.50 29.57 18 1 1 71.21 25.09 18 -1 -1 77.17 24.03 18 -1 -2 88.60 26.12 18 1 2 94.74 25.49 18 1 3 193.68 34.45 18 -1 -3 220.74 31.98 18 -1 -4 48.96 21.49 18 1 4 39.90 22.80 18 -1 -5 37.57 18.67 18 1 5 46.63 23.88 18 -1 -6 82.21 24.57 18 1 6 98.35 26.97 18 1 7 59.87 23.88 18 2 -1 173.86 33.36 18 2 0 36.96 23.65 18 2 1 166.53 32.27 18 2 2 82.85 27.97 18 2 3 38.38 21.83 18 2 4 19.93 22.77 18 -2 -6 3.84 21.06 18 -2 -7 81.45 25.73 0 0 0 0.00 0.00 TITL astl24 in P2(1)2(1)2(1) REM P2(1)2(1)2(1) (#19 in standard setting) CELL 0.71073 13.563071 21.245230 23.487887 90.0000 90.0000 90.0000 ZERR 4.00 0.000491 0.000695 0.000795 0.0000 0.0000 0.0000 LATT -1 SYMM -x+1/2,-y, z+1/2 SYMM -x, y+1/2,-z+1/2 SYMM x+1/2,-y+1/2,-z SFAC C H N Na Si P Th UNIT 300.00 672.00 32.00 4.00 24.00 4.00 4.00 TREF HKLF 4 END _computing_structure_solution 'SHELXT 2014/5 (Sheldrick, 2014)' ; _shelx_hkl_checksum 78703 _olex2_exptl_crystal_mounting_method 'in fomblin on micromount' _olex2_submission_special_instructions 'No special instructions were received' _oxdiff_exptl_absorpt_empirical_details ; Empirical correction (ABSPACK) includes: - Absorption correction using spherical harmonics - Frame scaling - Detector area scaling ; _oxdiff_exptl_absorpt_empirical_full_max 1.539 _oxdiff_exptl_absorpt_empirical_full_min 0.733 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x+1/2, -y, z+1/2' '-x, y+1/2, -z+1/2' 'x+1/2, -y+1/2, -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 Th1 Th 0.77236(2) 0.64052(2) 0.80948(2) 0.01859(5) Uani 1 1 d D . . . . P1 P 0.76473(15) 0.66940(8) 0.69506(8) 0.0387(4) Uani 1 1 d D . . . . H1 H 0.834(2) 0.6181(13) 0.7075(2) 0.035(17) Uiso 1 1 d D . . . . Si1 Si 1.05060(11) 0.64797(8) 0.81356(8) 0.0284(4) Uani 1 1 d . . . . . Si2 Si 0.65585(12) 0.47981(7) 0.80059(8) 0.0238(4) Uani 1 1 d . . . . . Si3 Si 0.61441(13) 0.77752(7) 0.84622(7) 0.0228(4) Uani 1 1 d . . . . . N1 N 0.9373(3) 0.6228(2) 0.8376(2) 0.0236(12) Uani 1 1 d . . . . . N2 N 0.6838(3) 0.54915(19) 0.8354(2) 0.0220(11) Uani 1 1 d . . . . . N3 N 0.7091(4) 0.72686(19) 0.8615(2) 0.0227(12) Uani 1 1 d . . . . . N4 N 0.7825(4) 0.61965(17) 0.92544(19) 0.0214(10) Uani 1 1 d . . . . . C1 C 1.1099(5) 0.5875(3) 0.7636(3) 0.0440(19) Uani 1 1 d . . . . . H1A H 1.1771 0.6034 0.7536 0.053 Uiso 1 1 calc R . . . . C2 C 1.0516(6) 0.5803(3) 0.7076(3) 0.056(2) Uani 1 1 d . . . . . H2A H 0.9824 0.5713 0.7163 0.084 Uiso 1 1 calc GR . . . . H2B H 1.0795 0.5456 0.6853 0.084 Uiso 1 1 calc GR . . . . H2C H 1.0560 0.6195 0.6857 0.084 Uiso 1 1 calc GR . . . . C3 C 1.1229(6) 0.5233(3) 0.7921(4) 0.068(3) Uani 1 1 d . . . . . H3A H 1.1626 0.5282 0.8267 0.102 Uiso 1 1 calc GR . . . . H3B H 1.1564 0.4946 0.7658 0.102 Uiso 1 1 calc GR . . . . H3C H 1.0581 0.5061 0.8021 0.102 Uiso 1 1 calc GR . . . . C4 C 1.0334(5) 0.7224(3) 0.7696(3) 0.0327(16) Uani 1 1 d . . . . . H4 H 0.9944 0.7096 0.7354 0.039 Uiso 1 1 calc R . . . . C5 C 1.1326(5) 0.7475(3) 0.7467(3) 0.045(2) Uani 1 1 d . . . . . H5A H 1.1756 0.7584 0.7787 0.067 Uiso 1 1 calc GR . . . . H5B H 1.1208 0.7850 0.7234 0.067 Uiso 1 1 calc GR . . . . H5C H 1.1643 0.7150 0.7234 0.067 Uiso 1 1 calc GR . . . . C6 C 0.9745(5) 0.7752(3) 0.7982(3) 0.053(2) Uani 1 1 d . . . . . H6A H 0.9087 0.7597 0.8082 0.080 Uiso 1 1 calc GR . . . . H6B H 0.9684 0.8108 0.7720 0.080 Uiso 1 1 calc GR . . . . H6C H 1.0088 0.7889 0.8328 0.080 Uiso 1 1 calc GR . . . . C7 C 1.1389(5) 0.6607(4) 0.8758(4) 0.059(2) Uani 1 1 d . . . . . H7 H 1.1263 0.6238 0.9012 0.071 Uiso 1 1 calc R . . . . C8 C 1.1158(7) 0.7171(5) 0.9130(4) 0.079(3) Uani 1 1 d . . . . . H8A H 1.1432 0.7552 0.8955 0.119 Uiso 1 1 calc GR . . . . H8B H 1.1452 0.7110 0.9507 0.119 Uiso 1 1 calc GR . . . . H8C H 1.0442 0.7215 0.9168 0.119 Uiso 1 1 calc GR . . . . C9 C 1.2474(6) 0.6551(5) 0.8613(4) 0.097(3) Uani 1 1 d . . . . . H9A H 1.2583 0.6172 0.8384 0.145 Uiso 1 1 calc GR . . . . H9B H 1.2859 0.6523 0.8966 0.145 Uiso 1 1 calc GR . . . . H9C H 1.2682 0.6923 0.8397 0.145 Uiso 1 1 calc GR . . . . C10 C 0.9367(4) 0.5785(3) 0.8869(3) 0.0284(15) Uani 1 1 d . . . . . H10A H 1.0053 0.5668 0.8966 0.034 Uiso 1 1 calc R . . . . H10B H 0.9009 0.5396 0.8762 0.034 Uiso 1 1 calc R . . . . C11 C 0.8874(4) 0.6081(3) 0.9384(3) 0.0242(14) Uani 1 1 d . . . . . H11A H 0.8931 0.5795 0.9715 0.029 Uiso 1 1 calc R . . . . H11B H 0.9205 0.6482 0.9479 0.029 Uiso 1 1 calc R . . . . C12 C 0.6684(5) 0.4045(3) 0.8448(3) 0.0370(17) Uani 1 1 d . . . . . H12 H 0.6864 0.3716 0.8162 0.044 Uiso 1 1 calc R . . . . C13 C 0.7546(5) 0.4039(3) 0.8871(3) 0.047(2) Uani 1 1 d . . . . . H13A H 0.8114 0.4256 0.8702 0.070 Uiso 1 1 calc GR . . . . H13B H 0.7726 0.3603 0.8959 0.070 Uiso 1 1 calc GR . . . . H13C H 0.7350 0.4255 0.9221 0.070 Uiso 1 1 calc GR . . . . C14 C 0.5764(5) 0.3783(3) 0.8738(3) 0.045(2) Uani 1 1 d . . . . . H14A H 0.5534 0.4080 0.9027 0.067 Uiso 1 1 calc GR . . . . H14B H 0.5922 0.3379 0.8919 0.067 Uiso 1 1 calc GR . . . . H14C H 0.5244 0.3719 0.8453 0.067 Uiso 1 1 calc GR . . . . C15 C 0.7450(5) 0.4713(2) 0.7393(3) 0.0301(16) Uani 1 1 d . . . . . H15 H 0.7388 0.5102 0.7157 0.036 Uiso 1 1 calc R . . . . C16 C 0.8540(5) 0.4667(3) 0.7579(3) 0.045(2) Uani 1 1 d . . . . . H16A H 0.8705 0.5027 0.7821 0.067 Uiso 1 1 calc GR . . . . H16B H 0.8964 0.4668 0.7241 0.067 Uiso 1 1 calc GR . . . . H16C H 0.8642 0.4276 0.7792 0.067 Uiso 1 1 calc GR . . . . C17 C 0.7219(6) 0.4148(3) 0.6999(3) 0.0490(19) Uani 1 1 d . . . . . H17A H 0.7302 0.3755 0.7212 0.074 Uiso 1 1 calc GR . . . . H17B H 0.7669 0.4153 0.6673 0.074 Uiso 1 1 calc GR . . . . H17C H 0.6537 0.4180 0.6864 0.074 Uiso 1 1 calc GR . . . . C18 C 0.5259(5) 0.4793(3) 0.7704(3) 0.0297(15) Uani 1 1 d . . . . . H18 H 0.5099 0.4345 0.7612 0.036 Uiso 1 1 calc R . . . . C19 C 0.4479(4) 0.5017(3) 0.8124(3) 0.0391(16) Uani 1 1 d . . . . . H19A H 0.4462 0.4732 0.8452 0.059 Uiso 1 1 calc GR . . . . H19B H 0.3833 0.5019 0.7937 0.059 Uiso 1 1 calc GR . . . . H19C H 0.4641 0.5443 0.8253 0.059 Uiso 1 1 calc GR . . . . C20 C 0.5164(6) 0.5166(3) 0.7145(3) 0.044(2) Uani 1 1 d . . . . . H20A H 0.5362 0.5604 0.7209 0.067 Uiso 1 1 calc GR . . . . H20B H 0.4478 0.5154 0.7014 0.067 Uiso 1 1 calc GR . . . . H20C H 0.5591 0.4977 0.6855 0.067 Uiso 1 1 calc GR . . . . C21 C 0.6416(4) 0.5559(3) 0.8933(3) 0.0265(15) Uani 1 1 d . . . . . H21A H 0.6017 0.5182 0.9023 0.032 Uiso 1 1 calc R . . . . H21B H 0.5972 0.5929 0.8941 0.032 Uiso 1 1 calc R . . . . C22 C 0.7211(5) 0.5639(2) 0.9380(2) 0.0274(13) Uani 1 1 d . . . . . H22A H 0.6902 0.5688 0.9759 0.033 Uiso 1 1 calc R . . . . H22B H 0.7632 0.5259 0.9389 0.033 Uiso 1 1 calc R . . . . C23 C 0.6590(4) 0.8573(3) 0.8201(2) 0.0300(14) Uani 1 1 d . . . . . H23 H 0.6007 0.8860 0.8190 0.036 Uiso 1 1 calc R . . . . C24 C 0.7346(7) 0.8862(3) 0.8605(3) 0.056(2) Uani 1 1 d . . . . . H24A H 0.7073 0.8876 0.8991 0.084 Uiso 1 1 calc GR . . . . H24B H 0.7505 0.9290 0.8479 0.084 Uiso 1 1 calc GR . . . . H24C H 0.7946 0.8605 0.8604 0.084 Uiso 1 1 calc GR . . . . C25 C 0.7022(5) 0.8543(3) 0.7599(3) 0.0438(19) Uani 1 1 d . . . . . H25A H 0.7611 0.8276 0.7600 0.066 Uiso 1 1 calc GR . . . . H25B H 0.7201 0.8968 0.7475 0.066 Uiso 1 1 calc GR . . . . H25C H 0.6531 0.8367 0.7338 0.066 Uiso 1 1 calc GR . . . . C26 C 0.5384(5) 0.7953(3) 0.9125(3) 0.0295(15) Uani 1 1 d . . . . . H26 H 0.5868 0.8069 0.9428 0.035 Uiso 1 1 calc R . . . . C27 C 0.4689(5) 0.8517(3) 0.9067(3) 0.0492(19) Uani 1 1 d . . . . . H27A H 0.5065 0.8887 0.8946 0.074 Uiso 1 1 calc GR . . . . H27B H 0.4376 0.8602 0.9435 0.074 Uiso 1 1 calc GR . . . . H27C H 0.4180 0.8422 0.8784 0.074 Uiso 1 1 calc GR . . . . C28 C 0.4795(5) 0.7398(3) 0.9361(3) 0.0452(19) Uani 1 1 d . . . . . H28A H 0.4216 0.7324 0.9120 0.068 Uiso 1 1 calc GR . . . . H28B H 0.4581 0.7494 0.9750 0.068 Uiso 1 1 calc GR . . . . H28C H 0.5211 0.7021 0.9363 0.068 Uiso 1 1 calc GR . . . . C29 C 0.5394(4) 0.7417(2) 0.7863(3) 0.0251(14) Uani 1 1 d . . . . . H29 H 0.5843 0.7393 0.7526 0.030 Uiso 1 1 calc R . . . . C30 C 0.4516(5) 0.7827(3) 0.7682(3) 0.0424(19) Uani 1 1 d . . . . . H30A H 0.3983 0.7783 0.7961 0.064 Uiso 1 1 calc GR . . . . H30B H 0.4281 0.7691 0.7307 0.064 Uiso 1 1 calc GR . . . . H30C H 0.4724 0.8268 0.7663 0.064 Uiso 1 1 calc GR . . . . C31 C 0.5025(5) 0.6747(3) 0.7969(3) 0.0338(18) Uani 1 1 d . . . . . H31A H 0.5589 0.6467 0.8028 0.051 Uiso 1 1 calc GR . . . . H31B H 0.4645 0.6604 0.7638 0.051 Uiso 1 1 calc GR . . . . H31C H 0.4603 0.6742 0.8307 0.051 Uiso 1 1 calc GR . . . . C32 C 0.7623(5) 0.7341(2) 0.9159(2) 0.0294(14) Uani 1 1 d . . . . . H32A H 0.7391 0.7726 0.9355 0.035 Uiso 1 1 calc R . . . . H32B H 0.8337 0.7389 0.9084 0.035 Uiso 1 1 calc R . . . . C33 C 0.7453(5) 0.6771(2) 0.9542(2) 0.0288(16) Uani 1 1 d . . . . . H33A H 0.7802 0.6831 0.9909 0.035 Uiso 1 1 calc R . . . . H33B H 0.6740 0.6725 0.9623 0.035 Uiso 1 1 calc R . . . . Na1 Na 0.38475(16) 0.65522(9) 0.49682(10) 0.0240(5) Uani 1 1 d . . . . . O1 O 0.3183(3) 0.66613(17) 0.59366(17) 0.0258(10) Uani 1 1 d . . . . . O5 O 0.4027(3) 0.77272(17) 0.49026(18) 0.0264(10) Uani 1 1 d . . . . . O7 O 0.3172(3) 0.61859(16) 0.40547(18) 0.0260(10) Uani 1 1 d . . . . . O2 O 0.5189(3) 0.65994(16) 0.56820(18) 0.0260(10) Uani 1 1 d . . . . . O6 O 0.4969(3) 0.68518(18) 0.41901(18) 0.0273(10) Uani 1 1 d . . . . . O3 O 0.4862(3) 0.55489(18) 0.49817(18) 0.0294(10) Uani 1 1 d . . . . . O4 O 0.2830(3) 0.56201(16) 0.52466(17) 0.0290(10) Uani 1 1 d . . . . . O8 O 0.2246(3) 0.70551(15) 0.47780(16) 0.0248(8) Uani 1 1 d . . . . . C34 C 0.2528(5) 0.5602(3) 0.5822(3) 0.0342(17) Uani 1 1 d . . . . . H34A H 0.3053 0.5415 0.6061 0.041 Uiso 1 1 calc R . . . . H34B H 0.1925 0.5343 0.5861 0.041 Uiso 1 1 calc R . . . . C35 C 0.2325(5) 0.6269(2) 0.6006(3) 0.0329(14) Uani 1 1 d . . . . . H35A H 0.1775 0.6442 0.5778 0.039 Uiso 1 1 calc R . . . . H35B H 0.2122 0.6271 0.6411 0.039 Uiso 1 1 calc R . . . . C36 C 0.3878(5) 0.6601(3) 0.6387(3) 0.0327(16) Uani 1 1 d . . . . . H36A H 0.3980 0.6151 0.6480 0.039 Uiso 1 1 calc R . . . . H36B H 0.3634 0.6819 0.6732 0.039 Uiso 1 1 calc R . . . . C37 C 0.4828(5) 0.6891(3) 0.6190(3) 0.0316(16) Uani 1 1 d . . . . . H37A H 0.4724 0.7346 0.6118 0.038 Uiso 1 1 calc R . . . . H37B H 0.5329 0.6850 0.6495 0.038 Uiso 1 1 calc R . . . . C38 C 0.5725(5) 0.6030(3) 0.5785(3) 0.0341(16) Uani 1 1 d . . . . . H38A H 0.5373 0.5766 0.6067 0.041 Uiso 1 1 calc R . . . . H38B H 0.6389 0.6127 0.5936 0.041 Uiso 1 1 calc R . . . . C39 C 0.5807(5) 0.5690(3) 0.5228(3) 0.0348(16) Uani 1 1 d . . . . . H39A H 0.6189 0.5952 0.4958 0.042 Uiso 1 1 calc R . . . . H39B H 0.6174 0.5292 0.5287 0.042 Uiso 1 1 calc R . . . . C40 C 0.4376(5) 0.5034(3) 0.5233(3) 0.0377(18) Uani 1 1 d . . . . . H40A H 0.4422 0.5060 0.5653 0.045 Uiso 1 1 calc R . . . . H40B H 0.4682 0.4635 0.5108 0.045 Uiso 1 1 calc R . . . . C41 C 0.3315(5) 0.5057(3) 0.5050(3) 0.0353(16) Uani 1 1 d . . . . . H41A H 0.3280 0.5039 0.4629 0.042 Uiso 1 1 calc R . . . . H41B H 0.2965 0.4684 0.5202 0.042 Uiso 1 1 calc R . . . . C42 C 0.2134(5) 0.6302(3) 0.4042(3) 0.0312(16) Uani 1 1 d . . . . . H42A H 0.1798 0.6007 0.4304 0.037 Uiso 1 1 calc R . . . . H42B H 0.1882 0.6224 0.3653 0.037 Uiso 1 1 calc R . . . . C43 C 0.1896(5) 0.6966(3) 0.4212(3) 0.0319(15) Uani 1 1 d . . . . . H43A H 0.2221 0.7267 0.3951 0.038 Uiso 1 1 calc R . . . . H43B H 0.1176 0.7037 0.4196 0.038 Uiso 1 1 calc R . . . . C44 C 0.2295(5) 0.7699(2) 0.4959(3) 0.0274(13) Uani 1 1 d . . . . . H44A H 0.2335 0.7713 0.5379 0.033 Uiso 1 1 calc R . . . . H44B H 0.1681 0.7917 0.4843 0.033 Uiso 1 1 calc R . . . . C45 C 0.3160(4) 0.8043(2) 0.4714(3) 0.0282(14) Uani 1 1 d . . . . . H45A H 0.3127 0.8041 0.4293 0.034 Uiso 1 1 calc R . . . . H45B H 0.3163 0.8485 0.4846 0.034 Uiso 1 1 calc R . . . . C46 C 0.4888(4) 0.7880(3) 0.4579(3) 0.0313(16) Uani 1 1 d . . . . . H46A H 0.5482 0.7797 0.4812 0.038 Uiso 1 1 calc R . . . . H46B H 0.4878 0.8335 0.4485 0.038 Uiso 1 1 calc R . . . . C47 C 0.4949(5) 0.7506(3) 0.4037(3) 0.0338(16) Uani 1 1 d . . . . . H47A H 0.4370 0.7595 0.3793 0.041 Uiso 1 1 calc R . . . . H47B H 0.5553 0.7618 0.3824 0.041 Uiso 1 1 calc R . . . . C48 C 0.4766(4) 0.6436(3) 0.3726(2) 0.0324(14) Uani 1 1 d . . . . . H48A H 0.4987 0.6006 0.3829 0.039 Uiso 1 1 calc R . . . . H48B H 0.5150 0.6572 0.3390 0.039 Uiso 1 1 calc R . . . . C49 C 0.3688(4) 0.6415(3) 0.3570(3) 0.0319(14) Uani 1 1 d . . . . . H49A H 0.3451 0.6840 0.3468 0.038 Uiso 1 1 calc R . . . . H49B H 0.3583 0.6131 0.3241 0.038 Uiso 1 1 calc R . . . . C52 C 1.0032(7) 0.5101(4) 0.5175(4) 0.054(2) Uani 1 1 d . . . . . H52 H 0.9951 0.5524 0.5053 0.065 Uiso 1 1 calc R . . . . C56 C 0.9648(7) 0.4262(4) 0.5802(4) 0.060(2) Uani 1 1 d . . . . . H56 H 0.9282 0.4094 0.6111 0.072 Uiso 1 1 calc R . . . . C53 C 1.0693(7) 0.4711(5) 0.4896(4) 0.066(3) Uani 1 1 d . . . . . H53 H 1.1043 0.4866 0.4575 0.079 Uiso 1 1 calc R . . . . C51 C 0.9487(6) 0.4876(4) 0.5630(4) 0.054(2) Uani 1 1 d . . . . . C50 C 0.8743(7) 0.5272(4) 0.5909(4) 0.083(3) Uani 1 1 d . . . . . H50A H 0.9050 0.5664 0.6038 0.124 Uiso 1 1 calc GR . . . . H50B H 0.8467 0.5047 0.6236 0.124 Uiso 1 1 calc GR . . . . H50C H 0.8215 0.5369 0.5638 0.124 Uiso 1 1 calc GR . . . . C55 C 1.0327(7) 0.3897(4) 0.5531(4) 0.069(3) Uani 1 1 d . . . . . H55 H 1.0443 0.3481 0.5661 0.083 Uiso 1 1 calc R . . . . C54 C 1.0847(7) 0.4123(4) 0.5070(4) 0.067(3) Uani 1 1 d . . . . . H54 H 1.1310 0.3862 0.4879 0.080 Uiso 1 1 calc R . . . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 Th1 0.02096(9) 0.02084(9) 0.01395(8) 0.00250(9) -0.00104(10) -0.00141(9) P1 0.0418(10) 0.0537(9) 0.0205(8) 0.0108(8) -0.0045(11) -0.0073(8) Si1 0.0213(8) 0.0361(9) 0.0277(9) 0.0041(10) -0.0011(8) -0.0013(7) Si2 0.0260(9) 0.0209(7) 0.0244(11) 0.0048(7) -0.0023(8) -0.0032(6) Si3 0.0303(10) 0.0203(8) 0.0177(9) -0.0005(7) 0.0010(8) 0.0015(7) N1 0.024(3) 0.029(3) 0.018(3) 0.002(2) -0.001(2) 0.002(2) N2 0.025(3) 0.020(2) 0.021(3) 0.003(2) 0.002(2) -0.003(2) N3 0.028(3) 0.022(2) 0.018(3) -0.001(2) -0.006(2) -0.005(2) N4 0.027(3) 0.022(2) 0.015(2) 0.0052(18) -0.001(2) -0.002(2) C1 0.029(4) 0.039(4) 0.064(6) 0.008(4) 0.012(4) -0.003(3) C2 0.060(5) 0.061(5) 0.048(5) -0.012(4) 0.028(4) -0.006(4) C3 0.057(6) 0.044(4) 0.102(9) 0.006(5) 0.025(5) 0.015(4) C4 0.031(4) 0.034(4) 0.032(4) 0.002(3) 0.002(3) -0.005(3) C5 0.037(4) 0.048(4) 0.050(5) 0.018(4) 0.003(4) -0.006(3) C6 0.060(5) 0.042(4) 0.058(6) 0.015(4) 0.008(5) 0.006(4) C7 0.035(5) 0.085(6) 0.058(6) 0.015(5) -0.015(4) -0.019(4) C8 0.067(7) 0.132(8) 0.039(6) -0.012(6) -0.008(5) -0.045(6) C9 0.042(7) 0.146(9) 0.102(8) 0.023(7) -0.034(5) -0.016(6) C10 0.018(3) 0.035(3) 0.031(4) 0.010(3) 0.001(3) 0.004(3) C11 0.027(3) 0.027(3) 0.018(3) 0.003(3) -0.006(3) 0.003(3) C12 0.040(4) 0.026(3) 0.045(5) 0.014(3) -0.004(4) -0.003(3) C13 0.048(6) 0.034(3) 0.059(5) 0.025(3) -0.017(4) -0.002(3) C14 0.053(5) 0.038(4) 0.044(5) 0.018(3) -0.004(4) -0.018(3) C15 0.041(5) 0.022(3) 0.028(3) -0.003(2) 0.005(3) -0.007(3) C16 0.039(5) 0.051(4) 0.044(5) -0.010(4) 0.010(4) -0.014(4) C17 0.049(4) 0.047(4) 0.052(5) -0.021(4) 0.010(5) -0.011(4) C18 0.029(4) 0.020(3) 0.040(4) -0.001(3) -0.009(3) -0.004(3) C19 0.024(3) 0.039(3) 0.054(5) 0.000(4) -0.012(4) -0.004(3) C20 0.057(5) 0.033(4) 0.044(5) 0.000(3) -0.020(4) 0.006(3) C21 0.021(3) 0.036(4) 0.022(4) 0.002(3) -0.003(3) -0.005(3) C22 0.031(3) 0.035(3) 0.016(3) 0.005(2) 0.001(3) -0.008(3) C23 0.044(4) 0.020(3) 0.025(4) 0.005(3) 0.006(3) -0.001(3) C24 0.080(6) 0.035(3) 0.053(5) -0.005(3) 0.003(5) -0.024(4) C25 0.055(5) 0.035(4) 0.041(4) 0.001(4) 0.019(4) -0.008(4) C26 0.035(4) 0.037(3) 0.016(3) -0.004(3) 0.001(3) 0.005(3) C27 0.070(5) 0.039(4) 0.039(4) -0.006(4) 0.021(4) 0.014(4) C28 0.045(5) 0.052(4) 0.038(5) 0.012(4) 0.020(4) 0.014(3) C29 0.029(4) 0.026(3) 0.021(3) -0.002(3) -0.001(3) 0.006(3) C30 0.057(5) 0.030(4) 0.040(4) -0.007(3) -0.022(4) 0.008(3) C31 0.034(4) 0.030(3) 0.038(5) -0.003(3) -0.008(3) 0.001(3) C32 0.027(4) 0.033(3) 0.028(3) -0.004(3) -0.008(3) 0.000(3) C33 0.030(4) 0.040(3) 0.017(3) -0.004(3) 0.000(3) -0.002(3) Na1 0.0244(12) 0.0278(13) 0.0200(12) 0.0027(10) -0.0009(10) 0.0015(9) O1 0.024(2) 0.032(2) 0.021(2) 0.0026(18) -0.003(2) 0.0017(19) O5 0.019(2) 0.032(2) 0.028(3) -0.0002(19) -0.004(2) 0.0010(19) O7 0.027(2) 0.029(2) 0.022(2) 0.0009(17) -0.003(2) 0.0018(18) O2 0.028(2) 0.029(2) 0.021(2) 0.0028(18) -0.001(2) 0.0024(17) O6 0.025(2) 0.032(2) 0.024(2) 0.001(2) 0.002(2) 0.0009(18) O3 0.027(2) 0.034(2) 0.027(3) 0.0025(19) 0.001(2) 0.0003(19) O4 0.032(2) 0.029(2) 0.027(2) 0.0060(17) 0.005(2) 0.004(2) O8 0.026(2) 0.0267(19) 0.022(2) 0.0003(16) -0.002(2) 0.001(2) C34 0.037(5) 0.041(3) 0.025(3) 0.010(3) 0.003(3) -0.008(3) C35 0.028(3) 0.039(4) 0.031(3) 0.002(3) 0.004(3) 0.002(3) C36 0.037(4) 0.044(4) 0.017(3) -0.002(3) 0.003(3) 0.004(3) C37 0.035(4) 0.033(3) 0.027(4) -0.005(3) 0.001(3) -0.001(3) C38 0.033(4) 0.035(4) 0.034(4) 0.002(3) -0.010(3) 0.005(3) C39 0.026(4) 0.037(4) 0.042(4) -0.004(3) 0.006(3) 0.005(3) C40 0.041(4) 0.026(3) 0.046(5) 0.004(3) 0.001(4) 0.006(3) C41 0.045(4) 0.026(3) 0.035(4) 0.001(3) 0.002(4) -0.002(3) C42 0.030(4) 0.037(4) 0.027(3) 0.001(3) -0.009(3) -0.009(3) C43 0.022(3) 0.043(4) 0.030(4) 0.003(3) -0.006(3) 0.004(3) C44 0.025(3) 0.025(3) 0.032(3) 0.000(2) 0.006(3) 0.005(3) C45 0.028(3) 0.023(3) 0.034(4) 0.000(3) -0.006(3) 0.002(3) C46 0.020(3) 0.033(3) 0.041(4) 0.007(3) 0.001(3) -0.003(3) C47 0.030(4) 0.038(4) 0.033(4) 0.007(3) 0.005(3) -0.001(3) C48 0.038(4) 0.037(3) 0.022(3) 0.000(3) 0.008(3) 0.008(4) C49 0.039(4) 0.036(3) 0.021(3) -0.008(3) -0.001(3) 0.001(3) C52 0.065(6) 0.050(5) 0.048(6) 0.011(4) -0.022(5) -0.019(4) C56 0.074(6) 0.049(5) 0.056(6) 0.011(4) -0.004(5) 0.008(5) C53 0.063(7) 0.091(7) 0.044(6) 0.001(5) -0.012(5) -0.027(5) C51 0.058(6) 0.051(5) 0.054(6) -0.004(4) -0.015(5) -0.004(4) C50 0.110(9) 0.063(6) 0.074(8) -0.003(5) -0.020(7) 0.014(6) C55 0.088(7) 0.056(5) 0.063(7) 0.003(5) 0.003(6) 0.000(5) C54 0.059(6) 0.079(7) 0.062(7) -0.019(5) -0.007(5) -0.008(5) 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' N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Na Na 0.0362 0.0249 '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' Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Th Th -7.2400 8.8979 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' loop_ _exptl_crystal_face_index_h _exptl_crystal_face_index_k _exptl_crystal_face_index_l _exptl_crystal_face_perp_dist 8 -25 13 0.0403 4 27 -13 0.0380 -18 9 -5 0.0783 -3 3 -32 0.0485 8 2 -30 0.0448 2 -3 33 0.0046 -5 -5 -31 0.0669 -5 24 18 0.0239 -4 -29 3 0.0927 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 P1 Th1 H1 31.65(3) . . P1 Th1 N4 176.32(9) . . N1 Th1 P1 110.10(12) . . N1 Th1 H1 85.7(6) . . N1 Th1 N3 108.80(16) . . N1 Th1 N4 69.60(16) . . N2 Th1 P1 114.49(12) . . N2 Th1 H1 104.6(8) . . N2 Th1 N1 106.17(15) . . N2 Th1 N3 108.64(16) . . N2 Th1 N4 68.88(15) . . N3 Th1 P1 108.51(12) . . N3 Th1 H1 137.7(4) . . N3 Th1 N4 68.47(14) . . N4 Th1 H1 150.39(16) . . Th1 P1 H1 67.45(8) . . N1 Si1 C1 111.6(3) . . N1 Si1 C4 109.1(3) . . N1 Si1 C7 110.6(3) . . C4 Si1 C1 106.0(3) . . C4 Si1 C7 112.0(3) . . C7 Si1 C1 107.5(4) . . N2 Si2 C12 115.9(3) . . N2 Si2 C15 107.5(2) . . N2 Si2 C18 112.7(2) . . C15 Si2 C12 106.0(3) . . C15 Si2 C18 108.0(3) . . C18 Si2 C12 106.3(3) . . N3 Si3 C23 112.9(3) . . N3 Si3 C26 111.0(3) . . N3 Si3 C29 107.8(2) . . C23 Si3 C26 105.0(3) . . C29 Si3 C23 106.8(3) . . C29 Si3 C26 113.3(3) . . Si1 N1 Th1 134.7(2) . . C10 N1 Th1 108.2(3) . . C10 N1 Si1 117.1(4) . . Si2 N2 Th1 133.7(3) . . C21 N2 Th1 110.7(3) . . C21 N2 Si2 115.6(4) . . Si3 N3 Th1 130.6(2) . . C32 N3 Th1 110.6(3) . . C32 N3 Si3 118.8(4) . . C11 N4 Th1 106.1(3) . . C11 N4 C22 111.6(4) . . C11 N4 C33 111.8(4) . . C22 N4 Th1 107.3(3) . . C22 N4 C33 112.1(5) . . C33 N4 Th1 107.5(3) . . Si1 C1 H1A 107.4 . . C2 C1 Si1 111.9(5) . . C2 C1 H1A 107.4 . . C3 C1 Si1 112.2(5) . . C3 C1 H1A 107.4 . . C3 C1 C2 110.2(6) . . C1 C2 H2A 109.5 . . C1 C2 H2B 109.5 . . C1 C2 H2C 109.5 . . H2A C2 H2B 109.5 . . H2A C2 H2C 109.5 . . H2B C2 H2C 109.5 . . C1 C3 H3A 109.5 . . C1 C3 H3B 109.5 . . C1 C3 H3C 109.5 . . H3A C3 H3B 109.5 . . H3A C3 H3C 109.5 . . H3B C3 H3C 109.5 . . Si1 C4 H4 106.0 . . C5 C4 Si1 111.7(4) . . C5 C4 H4 106.0 . . C6 C4 Si1 115.7(5) . . C6 C4 H4 106.0 . . C6 C4 C5 110.8(5) . . C4 C5 H5A 109.5 . . C4 C5 H5B 109.5 . . C4 C5 H5C 109.5 . . H5A C5 H5B 109.5 . . H5A C5 H5C 109.5 . . H5B C5 H5C 109.5 . . C4 C6 H6A 109.5 . . C4 C6 H6B 109.5 . . C4 C6 H6C 109.5 . . H6A C6 H6B 109.5 . . H6A C6 H6C 109.5 . . H6B C6 H6C 109.5 . . Si1 C7 H7 103.9 . . C8 C7 Si1 115.1(6) . . C8 C7 H7 103.9 . . C9 C7 Si1 115.3(7) . . C9 C7 H7 103.9 . . C9 C7 C8 113.0(7) . . C7 C8 H8A 109.5 . . C7 C8 H8B 109.5 . . C7 C8 H8C 109.5 . . H8A C8 H8B 109.5 . . H8A C8 H8C 109.5 . . H8B C8 H8C 109.5 . . C7 C9 H9A 109.5 . . C7 C9 H9B 109.5 . . C7 C9 H9C 109.5 . . H9A C9 H9B 109.5 . . H9A C9 H9C 109.5 . . H9B C9 H9C 109.5 . . N1 C10 H10A 109.4 . . N1 C10 H10B 109.4 . . N1 C10 C11 111.0(5) . . H10A C10 H10B 108.0 . . C11 C10 H10A 109.4 . . C11 C10 H10B 109.4 . . N4 C11 C10 109.2(5) . . N4 C11 H11A 109.8 . . N4 C11 H11B 109.8 . . C10 C11 H11A 109.8 . . C10 C11 H11B 109.8 . . H11A C11 H11B 108.3 . . Si2 C12 H12 104.1 . . C13 C12 Si2 115.2(4) . . C13 C12 H12 104.1 . . C14 C12 Si2 118.3(5) . . C14 C12 H12 104.1 . . C14 C12 C13 109.4(6) . . C12 C13 H13A 109.5 . . C12 C13 H13B 109.5 . . C12 C13 H13C 109.5 . . H13A C13 H13B 109.5 . . H13A C13 H13C 109.5 . . H13B C13 H13C 109.5 . . C12 C14 H14A 109.5 . . C12 C14 H14B 109.5 . . C12 C14 H14C 109.5 . . H14A C14 H14B 109.5 . . H14A C14 H14C 109.5 . . H14B C14 H14C 109.5 . . Si2 C15 H15 106.9 . . C16 C15 Si2 113.8(5) . . C16 C15 H15 106.9 . . C16 C15 C17 108.3(5) . . C17 C15 Si2 113.5(4) . . C17 C15 H15 106.9 . . C15 C16 H16A 109.5 . . C15 C16 H16B 109.5 . . C15 C16 H16C 109.5 . . H16A C16 H16B 109.5 . . H16A C16 H16C 109.5 . . H16B C16 H16C 109.5 . . C15 C17 H17A 109.5 . . C15 C17 H17B 109.5 . . C15 C17 H17C 109.5 . . H17A C17 H17B 109.5 . . H17A C17 H17C 109.5 . . H17B C17 H17C 109.5 . . Si2 C18 H18 106.7 . . C19 C18 Si2 113.6(5) . . C19 C18 H18 106.7 . . C19 C18 C20 109.5(5) . . C20 C18 Si2 113.1(5) . . C20 C18 H18 106.7 . . C18 C19 H19A 109.5 . . C18 C19 H19B 109.5 . . C18 C19 H19C 109.5 . . H19A C19 H19B 109.5 . . H19A C19 H19C 109.5 . . H19B C19 H19C 109.5 . . C18 C20 H20A 109.5 . . C18 C20 H20B 109.5 . . C18 C20 H20C 109.5 . . H20A C20 H20B 109.5 . . H20A C20 H20C 109.5 . . H20B C20 H20C 109.5 . . N2 C21 H21A 109.3 . . N2 C21 H21B 109.3 . . N2 C21 C22 111.8(5) . . H21A C21 H21B 107.9 . . C22 C21 H21A 109.3 . . C22 C21 H21B 109.3 . . N4 C22 C21 110.6(5) . . N4 C22 H22A 109.5 . . N4 C22 H22B 109.5 . . C21 C22 H22A 109.5 . . C21 C22 H22B 109.5 . . H22A C22 H22B 108.1 . . Si3 C23 H23 107.6 . . C24 C23 Si3 111.9(4) . . C24 C23 H23 107.6 . . C24 C23 C25 109.5(6) . . C25 C23 Si3 112.5(4) . . C25 C23 H23 107.6 . . C23 C24 H24A 109.5 . . C23 C24 H24B 109.5 . . C23 C24 H24C 109.5 . . H24A C24 H24B 109.5 . . H24A C24 H24C 109.5 . . H24B C24 H24C 109.5 . . C23 C25 H25A 109.5 . . C23 C25 H25B 109.5 . . C23 C25 H25C 109.5 . . H25A C25 H25B 109.5 . . H25A C25 H25C 109.5 . . H25B C25 H25C 109.5 . . Si3 C26 H26 106.0 . . C27 C26 Si3 114.6(4) . . C27 C26 H26 106.0 . . C28 C26 Si3 115.2(4) . . C28 C26 H26 106.0 . . C28 C26 C27 108.3(6) . . C26 C27 H27A 109.5 . . C26 C27 H27B 109.5 . . C26 C27 H27C 109.5 . . H27A C27 H27B 109.5 . . H27A C27 H27C 109.5 . . H27B C27 H27C 109.5 . . C26 C28 H28A 109.5 . . C26 C28 H28B 109.5 . . C26 C28 H28C 109.5 . . H28A C28 H28B 109.5 . . H28A C28 H28C 109.5 . . H28B C28 H28C 109.5 . . Si3 C29 H29 106.4 . . C30 C29 Si3 113.1(4) . . C30 C29 H29 106.4 . . C31 C29 Si3 115.4(4) . . C31 C29 H29 106.4 . . C31 C29 C30 108.6(5) . . C29 C30 H30A 109.5 . . C29 C30 H30B 109.5 . . C29 C30 H30C 109.5 . . H30A C30 H30B 109.5 . . H30A C30 H30C 109.5 . . H30B C30 H30C 109.5 . . C29 C31 H31A 109.5 . . C29 C31 H31B 109.5 . . C29 C31 H31C 109.5 . . H31A C31 H31B 109.5 . . H31A C31 H31C 109.5 . . H31B C31 H31C 109.5 . . N3 C32 H32A 109.5 . . N3 C32 H32B 109.5 . . N3 C32 C33 110.7(4) . . H32A C32 H32B 108.1 . . C33 C32 H32A 109.5 . . C33 C32 H32B 109.5 . . N4 C33 C32 109.4(5) . . N4 C33 H33A 109.8 . . N4 C33 H33B 109.8 . . C32 C33 H33A 109.8 . . C32 C33 H33B 109.8 . . H33A C33 H33B 108.2 . . O1 Na1 O5 89.91(15) . . O1 Na1 O7 134.46(17) . . O1 Na1 O2 68.83(15) . . O1 Na1 O6 152.80(16) . . O1 Na1 O3 105.46(15) . . O1 Na1 O4 68.30(14) . . O1 Na1 O8 78.66(14) . . O5 Na1 O3 141.52(16) . . O7 Na1 O5 107.28(15) . . O7 Na1 O2 151.33(16) . . O7 Na1 O6 70.41(15) . . O7 Na1 O3 86.98(15) . . O7 Na1 O4 76.81(14) . . O7 Na1 O8 69.52(14) . . O2 Na1 O5 86.00(14) . . O2 Na1 O3 68.10(14) . . O2 Na1 O4 105.09(15) . . O6 Na1 O5 68.77(14) . . O6 Na1 O2 92.19(15) . . O6 Na1 O3 83.76(15) . . O6 Na1 O4 137.73(16) . . O4 Na1 O5 148.88(16) . . O4 Na1 O3 68.33(14) . . O8 Na1 O5 69.09(13) . . O8 Na1 O2 138.91(15) . . O8 Na1 O6 107.36(15) . . O8 Na1 O3 147.72(15) . . O8 Na1 O4 84.51(14) . . C35 O1 Na1 110.3(3) . . C36 O1 Na1 115.9(3) . . C36 O1 C35 113.5(4) . . C45 O5 Na1 114.0(3) . . C45 O5 C46 113.7(5) . . C46 O5 Na1 109.7(3) . . C42 O7 Na1 109.3(4) . . C49 O7 Na1 114.0(3) . . C49 O7 C42 114.1(5) . . C37 O2 Na1 109.4(4) . . C37 O2 C38 113.5(5) . . C38 O2 Na1 117.0(3) . . C47 O6 Na1 115.1(4) . . C48 O6 Na1 106.6(3) . . C48 O6 C47 113.9(5) . . C39 O3 Na1 108.3(3) . . C40 O3 Na1 113.8(4) . . C40 O3 C39 114.3(5) . . C34 O4 Na1 115.6(3) . . C34 O4 C41 114.6(4) . . C41 O4 Na1 108.8(3) . . C43 O8 Na1 114.0(3) . . C43 O8 C44 114.7(4) . . C44 O8 Na1 108.7(3) . . O4 C34 H34A 110.2 . . O4 C34 H34B 110.2 . . O4 C34 C35 107.7(4) . . H34A C34 H34B 108.5 . . C35 C34 H34A 110.2 . . C35 C34 H34B 110.2 . . O1 C35 C34 111.4(5) . . O1 C35 H35A 109.4 . . O1 C35 H35B 109.4 . . C34 C35 H35A 109.4 . . C34 C35 H35B 109.4 . . H35A C35 H35B 108.0 . . O1 C36 H36A 110.2 . . O1 C36 H36B 110.2 . . O1 C36 C37 107.6(5) . . H36A C36 H36B 108.5 . . C37 C36 H36A 110.2 . . C37 C36 H36B 110.2 . . O2 C37 C36 111.8(5) . . O2 C37 H37A 109.3 . . O2 C37 H37B 109.3 . . C36 C37 H37A 109.3 . . C36 C37 H37B 109.3 . . H37A C37 H37B 107.9 . . O2 C38 H38A 110.3 . . O2 C38 H38B 110.3 . . O2 C38 C39 107.3(5) . . H38A C38 H38B 108.5 . . C39 C38 H38A 110.3 . . C39 C38 H38B 110.3 . . O3 C39 C38 112.7(5) . . O3 C39 H39A 109.1 . . O3 C39 H39B 109.1 . . C38 C39 H39A 109.1 . . C38 C39 H39B 109.1 . . H39A C39 H39B 107.8 . . O3 C40 H40A 110.2 . . O3 C40 H40B 110.2 . . O3 C40 C41 107.7(5) . . H40A C40 H40B 108.5 . . C41 C40 H40A 110.2 . . C41 C40 H40B 110.2 . . O4 C41 C40 111.8(5) . . O4 C41 H41A 109.3 . . O4 C41 H41B 109.3 . . C40 C41 H41A 109.3 . . C40 C41 H41B 109.3 . . H41A C41 H41B 107.9 . . O7 C42 H42A 109.3 . . O7 C42 H42B 109.3 . . O7 C42 C43 111.6(5) . . H42A C42 H42B 108.0 . . C43 C42 H42A 109.3 . . C43 C42 H42B 109.3 . . O8 C43 C42 107.6(5) . . O8 C43 H43A 110.2 . . O8 C43 H43B 110.2 . . C42 C43 H43A 110.2 . . C42 C43 H43B 110.2 . . H43A C43 H43B 108.5 . . O8 C44 H44A 109.0 . . O8 C44 H44B 109.0 . . O8 C44 C45 112.8(5) . . H44A C44 H44B 107.8 . . C45 C44 H44A 109.0 . . C45 C44 H44B 109.0 . . O5 C45 C44 107.4(5) . . O5 C45 H45A 110.2 . . O5 C45 H45B 110.2 . . C44 C45 H45A 110.2 . . C44 C45 H45B 110.2 . . H45A C45 H45B 108.5 . . O5 C46 H46A 109.2 . . O5 C46 H46B 109.2 . . O5 C46 C47 112.0(5) . . H46A C46 H46B 107.9 . . C47 C46 H46A 109.2 . . C47 C46 H46B 109.2 . . O6 C47 C46 107.6(5) . . O6 C47 H47A 110.2 . . O6 C47 H47B 110.2 . . C46 C47 H47A 110.2 . . C46 C47 H47B 110.2 . . H47A C47 H47B 108.5 . . O6 C48 H48A 109.0 . . O6 C48 H48B 109.0 . . O6 C48 C49 113.0(5) . . H48A C48 H48B 107.8 . . C49 C48 H48A 109.0 . . C49 C48 H48B 109.0 . . O7 C49 C48 107.0(5) . . O7 C49 H49A 110.3 . . O7 C49 H49B 110.3 . . C48 C49 H49A 110.3 . . C48 C49 H49B 110.3 . . H49A C49 H49B 108.6 . . C53 C52 H52 119.9 . . C51 C52 H52 119.9 . . C51 C52 C53 120.2(8) . . C51 C56 H56 119.7 . . C55 C56 H56 119.7 . . C55 C56 C51 120.5(9) . . C52 C53 H53 119.4 . . C54 C53 C52 121.2(9) . . C54 C53 H53 119.4 . . C52 C51 C50 120.9(8) . . C56 C51 C52 117.8(8) . . C56 C51 C50 121.3(9) . . C51 C50 H50A 109.5 . . C51 C50 H50B 109.5 . . C51 C50 H50C 109.5 . . H50A C50 H50B 109.5 . . H50A C50 H50C 109.5 . . H50B C50 H50C 109.5 . . C56 C55 H55 119.5 . . C56 C55 C54 121.0(9) . . C54 C55 H55 119.5 . . C53 C54 C55 119.2(9) . . C53 C54 H54 120.4 . . C55 C54 H54 120.4 . . loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 Th1 P1 2.7584(18) . Th1 H1 2.5801(14) . Th1 N1 2.363(5) . Th1 N2 2.362(4) . Th1 N3 2.366(4) . Th1 N4 2.763(4) . P1 H1 1.4660(14) . Si1 N1 1.723(5) . Si1 C1 1.916(7) . Si1 C4 1.903(6) . Si1 C7 1.909(8) . Si2 N2 1.726(5) . Si2 C12 1.915(6) . Si2 C15 1.888(6) . Si2 C18 1.900(6) . Si3 N3 1.714(5) . Si3 C23 1.900(6) . Si3 C26 1.904(6) . Si3 C29 1.897(6) . N1 C10 1.492(7) . N2 C21 1.483(7) . N3 C32 1.476(7) . N4 C11 1.476(7) . N4 C22 1.477(7) . N4 C33 1.485(6) . C1 H1A 1.0000 . C1 C2 1.543(10) . C1 C3 1.529(9) . C2 H2A 0.9800 . C2 H2B 0.9800 . C2 H2C 0.9800 . C3 H3A 0.9800 . C3 H3B 0.9800 . C3 H3C 0.9800 . C4 H4 1.0000 . C4 C5 1.543(9) . C4 C6 1.533(9) . C5 H5A 0.9800 . C5 H5B 0.9800 . C5 H5C 0.9800 . C6 H6A 0.9800 . C6 H6B 0.9800 . C6 H6C 0.9800 . C7 H7 1.0000 . C7 C8 1.516(11) . C7 C9 1.515(11) . C8 H8A 0.9800 . C8 H8B 0.9800 . C8 H8C 0.9800 . C9 H9A 0.9800 . C9 H9B 0.9800 . C9 H9C 0.9800 . C10 H10A 0.9900 . C10 H10B 0.9900 . C10 C11 1.518(8) . C11 H11A 0.9900 . C11 H11B 0.9900 . C12 H12 1.0000 . C12 C13 1.534(9) . C12 C14 1.528(9) . C13 H13A 0.9800 . C13 H13B 0.9800 . C13 H13C 0.9800 . C14 H14A 0.9800 . C14 H14B 0.9800 . C14 H14C 0.9800 . C15 H15 1.0000 . C15 C16 1.544(9) . C15 C17 1.548(7) . C16 H16A 0.9800 . C16 H16B 0.9800 . C16 H16C 0.9800 . C17 H17A 0.9800 . C17 H17B 0.9800 . C17 H17C 0.9800 . C18 H18 1.0000 . C18 C19 1.523(9) . C18 C20 1.540(9) . C19 H19A 0.9800 . C19 H19B 0.9800 . C19 H19C 0.9800 . C20 H20A 0.9800 . C20 H20B 0.9800 . C20 H20C 0.9800 . C21 H21A 0.9900 . C21 H21B 0.9900 . C21 C22 1.516(8) . C22 H22A 0.9900 . C22 H22B 0.9900 . C23 H23 1.0000 . C23 C24 1.525(9) . C23 C25 1.531(8) . C24 H24A 0.9800 . C24 H24B 0.9800 . C24 H24C 0.9800 . C25 H25A 0.9800 . C25 H25B 0.9800 . C25 H25C 0.9800 . C26 H26 1.0000 . C26 C27 1.531(9) . C26 C28 1.527(8) . C27 H27A 0.9800 . C27 H27B 0.9800 . C27 H27C 0.9800 . C28 H28A 0.9800 . C28 H28B 0.9800 . C28 H28C 0.9800 . C29 H29 1.0000 . C29 C30 1.536(8) . C29 C31 1.528(8) . C30 H30A 0.9800 . C30 H30B 0.9800 . C30 H30C 0.9800 . C31 H31A 0.9800 . C31 H31B 0.9800 . C31 H31C 0.9800 . C32 H32A 0.9900 . C32 H32B 0.9900 . C32 C33 1.526(7) . C33 H33A 0.9900 . C33 H33B 0.9900 . Na1 O1 2.458(5) . Na1 O5 2.513(4) . Na1 O7 2.460(5) . Na1 O2 2.476(5) . Na1 O6 2.462(5) . Na1 O3 2.538(4) . Na1 O4 2.501(4) . Na1 O8 2.461(5) . O1 C35 1.441(7) . O1 C36 1.422(7) . O5 C45 1.424(7) . O5 C46 1.431(7) . O7 C42 1.429(7) . O7 C49 1.422(7) . O2 C37 1.431(7) . O2 C38 1.432(6) . O6 C47 1.435(6) . O6 C48 1.429(7) . O3 C39 1.437(7) . O3 C40 1.407(7) . O4 C34 1.412(7) . O4 C41 1.441(7) . O8 C43 1.423(7) . O8 C44 1.435(6) . C34 H34A 0.9900 . C34 H34B 0.9900 . C34 C35 1.506(7) . C35 H35A 0.9900 . C35 H35B 0.9900 . C36 H36A 0.9900 . C36 H36B 0.9900 . C36 C37 1.502(9) . C37 H37A 0.9900 . C37 H37B 0.9900 . C38 H38A 0.9900 . C38 H38B 0.9900 . C38 C39 1.499(9) . C39 H39A 0.9900 . C39 H39B 0.9900 . C40 H40A 0.9900 . C40 H40B 0.9900 . C40 C41 1.503(9) . C41 H41A 0.9900 . C41 H41B 0.9900 . C42 H42A 0.9900 . C42 H42B 0.9900 . C42 C43 1.502(8) . C43 H43A 0.9900 . C43 H43B 0.9900 . C44 H44A 0.9900 . C44 H44B 0.9900 . C44 C45 1.496(8) . C45 H45A 0.9900 . C45 H45B 0.9900 . C46 H46A 0.9900 . C46 H46B 0.9900 . C46 C47 1.503(9) . C47 H47A 0.9900 . C47 H47B 0.9900 . C48 H48A 0.9900 . C48 H48B 0.9900 . C48 C49 1.508(8) . C49 H49A 0.9900 . C49 H49B 0.9900 . C52 H52 0.9500 . C52 C53 1.386(12) . C52 C51 1.385(11) . C56 H56 0.9500 . C56 C51 1.382(10) . C56 C55 1.361(11) . C53 H53 0.9500 . C53 C54 1.330(11) . C51 C50 1.468(11) . C50 H50A 0.9800 . C50 H50B 0.9800 . C50 H50C 0.9800 . C55 H55 0.9500 . C55 C54 1.378(12) . C54 H54 0.9500 . 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 Th1 N1 C10 C11 -65.3(5) . . . . Th1 N2 C21 C22 -62.1(5) . . . . Th1 N3 C32 C33 -64.3(5) . . . . Th1 N4 C11 C10 -29.6(5) . . . . Th1 N4 C22 C21 -25.6(5) . . . . Th1 N4 C33 C32 -27.1(5) . . . . Si1 N1 C10 C11 115.8(5) . . . . Si2 N2 C21 C22 120.1(4) . . . . Si3 N3 C32 C33 114.4(5) . . . . N1 C10 C11 N4 64.7(6) . . . . N2 Si2 C15 C16 61.9(5) . . . . N2 Si2 C15 C17 -173.6(4) . . . . N2 C21 C22 N4 58.5(6) . . . . N3 Si3 C29 C30 -179.9(4) . . . . N3 Si3 C29 C31 54.1(5) . . . . N3 C32 C33 N4 60.6(6) . . . . C1 Si1 N1 Th1 -96.4(4) . . . . C1 Si1 N1 C10 82.1(5) . . . . C4 Si1 N1 Th1 20.4(4) . . . . C4 Si1 N1 C10 -161.1(4) . . . . C7 Si1 N1 Th1 144.0(4) . . . . C7 Si1 N1 C10 -37.5(5) . . . . C11 N4 C22 C21 -141.5(5) . . . . C11 N4 C33 C32 89.0(5) . . . . C12 Si2 N2 Th1 137.4(3) . . . . C12 Si2 N2 C21 -45.3(5) . . . . C12 Si2 C15 C16 -62.7(5) . . . . C12 Si2 C15 C17 61.9(5) . . . . C15 Si2 N2 Th1 19.1(4) . . . . C15 Si2 N2 C21 -163.7(4) . . . . C18 Si2 N2 Th1 -99.8(4) . . . . C18 Si2 N2 C21 77.4(5) . . . . C18 Si2 C15 C16 -176.3(4) . . . . C18 Si2 C15 C17 -51.7(5) . . . . C22 N4 C11 C10 87.0(5) . . . . C22 N4 C33 C32 -144.8(5) . . . . C23 Si3 N3 Th1 -102.9(3) . . . . C23 Si3 N3 C32 78.8(5) . . . . C23 Si3 C29 C30 -58.3(5) . . . . C23 Si3 C29 C31 175.7(4) . . . . C26 Si3 N3 Th1 139.5(3) . . . . C26 Si3 N3 C32 -38.9(5) . . . . C26 Si3 C29 C30 56.8(5) . . . . C26 Si3 C29 C31 -69.1(5) . . . . C29 Si3 N3 Th1 14.9(4) . . . . C29 Si3 N3 C32 -163.5(4) . . . . C33 N4 C11 C10 -146.5(5) . . . . C33 N4 C22 C21 92.2(6) . . . . Na1 O1 C35 C34 51.1(5) . . . . Na1 O1 C36 C37 36.1(5) . . . . Na1 O5 C45 C44 36.0(6) . . . . Na1 O5 C46 C47 47.0(6) . . . . Na1 O7 C42 C43 49.3(5) . . . . Na1 O7 C49 C48 36.5(6) . . . . Na1 O2 C37 C36 50.1(6) . . . . Na1 O2 C38 C39 35.7(6) . . . . Na1 O6 C47 C46 40.8(6) . . . . Na1 O6 C48 C49 52.4(6) . . . . Na1 O3 C39 C38 50.7(6) . . . . Na1 O3 C40 C41 39.5(6) . . . . Na1 O4 C34 C35 35.6(6) . . . . Na1 O4 C41 C40 51.4(6) . . . . Na1 O8 C43 C42 39.6(6) . . . . Na1 O8 C44 C45 52.3(5) . . . . O1 C36 C37 O2 -58.1(6) . . . . O5 C46 C47 O6 -59.4(7) . . . . O7 C42 C43 O8 -60.5(7) . . . . O2 C38 C39 O3 -58.6(7) . . . . O6 C48 C49 O7 -61.7(7) . . . . O3 C40 C41 O4 -62.4(7) . . . . O4 C34 C35 O1 -58.1(6) . . . . O8 C44 C45 O5 -60.4(6) . . . . C34 O4 C41 C40 -79.7(7) . . . . C35 O1 C36 C37 165.2(4) . . . . C36 O1 C35 C34 -80.8(6) . . . . C37 O2 C38 C39 164.5(5) . . . . C38 O2 C37 C36 -82.5(6) . . . . C39 O3 C40 C41 164.6(5) . . . . C40 O3 C39 C38 -77.2(7) . . . . C41 O4 C34 C35 163.3(5) . . . . C42 O7 C49 C48 163.1(5) . . . . C43 O8 C44 C45 -76.6(6) . . . . C44 O8 C43 C42 165.7(5) . . . . C45 O5 C46 C47 -82.0(6) . . . . C46 O5 C45 C44 162.8(5) . . . . C47 O6 C48 C49 -75.6(6) . . . . C48 O6 C47 C46 164.3(5) . . . . C49 O7 C42 C43 -79.7(6) . . . . C52 C53 C54 C55 1.0(13) . . . . C56 C55 C54 C53 1.2(14) . . . . C53 C52 C51 C56 1.6(12) . . . . C53 C52 C51 C50 -176.5(8) . . . . C51 C52 C53 C54 -2.4(13) . . . . C51 C56 C55 C54 -2.0(14) . . . . C55 C56 C51 C52 0.6(13) . . . . C55 C56 C51 C50 178.6(9) . . . . loop_ _exptl_oxdiff_crystal_face_indexfrac_h _exptl_oxdiff_crystal_face_indexfrac_k _exptl_oxdiff_crystal_face_indexfrac_l _exptl_oxdiff_crystal_face_x _exptl_oxdiff_crystal_face_y _exptl_oxdiff_crystal_face_z 7.9728 -24.9862 12.9981 0.8727 0.1745 -0.4815 4.0269 26.9757 -12.9927 -0.9784 -0.1795 -0.1407 -17.9878 9.0070 -5.0063 -0.2648 -0.0464 0.9623 -2.9823 2.9767 -31.9769 -0.3081 -0.9107 0.2065 8.0143 1.9697 -29.9730 -0.2994 -0.8785 -0.3719 1.9820 -2.9751 32.9756 0.3185 0.9418 -0.1557 -4.9888 -5.0177 -30.9772 -0.0352 -0.9399 0.2946 -4.9885 24.0080 17.9792 -0.6362 0.7224 0.2801 -4.0239 -28.9825 3.0009 0.9741 -0.1294 0.1509