#------------------------------------------------------------------------------ #$Date: 2024-10-23 01:10:20 +0300 (Wed, 23 Oct 2024) $ #$Revision: 295581 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/57/29/1572922.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_1572922 loop_ _publ_author_name 'Adachi, Yohei' 'Yamada, Kohei' 'Ohshita, Joji' _publ_section_title ; Controlling the thermodynamic stability of conformational isomers of bistricyclic aromatic enes by introducing boron and silicon atoms ; _journal_name_full 'Chemical Science' _journal_paper_doi 10.1039/D4SC06150K _journal_year 2024 _chemical_formula_moiety 'C35 H37 B S4 Si' _chemical_formula_sum 'C35 H37 B S4 Si' _chemical_formula_weight 624.78 _space_group_crystal_system monoclinic _space_group_IT_number 14 _space_group_name_Hall '-P 2ybc' _space_group_name_H-M_alt 'P 1 21/c 1' _atom_sites_solution_hydrogens geom _atom_sites_solution_primary dual _audit_creation_date 2023-01-19 _audit_creation_method ; Olex2 1.3-ac4 (compiled 2020.11.27 svn.r5f609507 for Rigaku Oxford Diffraction, GUI svn.r6214) ; _audit_update_record ; 2024-09-03 deposited with the CCDC. 2024-10-21 downloaded from the CCDC. ; _cell_angle_alpha 90 _cell_angle_beta 96.056(2) _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 13.8040(2) _cell_length_b 21.4141(4) _cell_length_c 11.1906(2) _cell_measurement_reflns_used 26551 _cell_measurement_temperature 100.00(10) _cell_measurement_theta_max 29.8400 _cell_measurement_theta_min 2.4000 _cell_volume 3289.48(10) _computing_cell_refinement 'CrysAlisPro 1.171.42.27a (Rigaku OD, 2021)' _computing_data_collection 'CrysAlisPro 1.171.42.27a (Rigaku OD, 2021)' _computing_data_reduction 'CrysAlisPro 1.171.42.27a (Rigaku OD, 2021)' _computing_molecular_graphics 'Olex2 1.3-ac4 (Dolomanov et al., 2009)' _computing_publication_material 'Olex2 1.3-ac4 (Dolomanov et al., 2009)' _computing_structure_refinement 'SHELXL 2018/3 (Sheldrick, 2015)' _computing_structure_solution 'SHELXT 2018/2 (Sheldrick, 2018)' _diffrn_ambient_environment N~2~ _diffrn_ambient_temperature 100.00(10) _diffrn_detector 'Hybrid Pixel Array Detector' _diffrn_detector_area_resol_mean 10.0000 _diffrn_detector_type HyPix _diffrn_measured_fraction_theta_full 0.999 _diffrn_measured_fraction_theta_max 0.845 _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 -11.00 30.00 0.50 1.00 -- -7.02 -99.00 30.00 82 2 \w -26.00 64.00 0.50 1.00 -- -7.02 38.00 0.00 180 3 \w -75.00 -49.00 0.50 1.00 -- -7.02 -57.00-150.00 52 4 \w -42.00 12.00 0.50 1.00 -- -7.02 -57.00-150.00 108 5 \w -6.00 21.00 0.50 1.00 -- -7.02 -99.00-180.00 54 6 \w -66.00 31.00 0.50 1.00 -- 8.27 -57.00-180.00 194 7 \w -3.00 24.00 0.50 1.00 -- 8.27 -99.00 -30.00 54 8 \w -5.00 58.00 0.50 1.00 -- 8.27 57.00 120.00 126 ; _diffrn_measurement_device 'four-circle diffractometer' _diffrn_measurement_device_type 'XtaLAB Synergy R, DW system, HyPix' _diffrn_measurement_method '\w scans' _diffrn_orient_matrix_type 'CrysAlisPro convention (1999,Acta A55,543-557)' _diffrn_orient_matrix_UB_11 0.0021421000 _diffrn_orient_matrix_UB_12 -0.0147873000 _diffrn_orient_matrix_UB_13 0.0569413000 _diffrn_orient_matrix_UB_21 0.0334864000 _diffrn_orient_matrix_UB_22 -0.0221469000 _diffrn_orient_matrix_UB_23 -0.0187208000 _diffrn_orient_matrix_UB_31 0.0393097000 _diffrn_orient_matrix_UB_32 0.0196826000 _diffrn_orient_matrix_UB_33 0.0216866000 _diffrn_radiation_monochromator mirror _diffrn_radiation_probe x-ray _diffrn_radiation_type 'Mo K\a' _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0309 _diffrn_reflns_av_unetI/netI 0.0269 _diffrn_reflns_Laue_measured_fraction_full 0.999 _diffrn_reflns_Laue_measured_fraction_max 0.845 _diffrn_reflns_limit_h_max 15 _diffrn_reflns_limit_h_min -18 _diffrn_reflns_limit_k_max 28 _diffrn_reflns_limit_k_min -29 _diffrn_reflns_limit_l_max 15 _diffrn_reflns_limit_l_min -13 _diffrn_reflns_number 39668 _diffrn_reflns_point_group_measured_fraction_full 0.999 _diffrn_reflns_point_group_measured_fraction_max 0.845 _diffrn_reflns_theta_full 25.242 _diffrn_reflns_theta_max 29.656 _diffrn_reflns_theta_min 2.412 _diffrn_source 'Rotating-anode X-ray tube' _diffrn_source_type 'Rigaku (Mo) X-ray Source' _exptl_absorpt_coefficient_mu 0.349 _exptl_absorpt_correction_T_max 1.00000 _exptl_absorpt_correction_T_min 0.99142 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details ; CrysAlisPro 1.171.42.27a (Rigaku Oxford Diffraction, 2021) 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 1.262 _exptl_crystal_description block _exptl_crystal_F_000 1320 _exptl_crystal_size_max 0.172 _exptl_crystal_size_mid 0.127 _exptl_crystal_size_min 0.07 _refine_diff_density_max 0.363 _refine_diff_density_min -0.223 _refine_diff_density_rms 0.050 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.046 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 378 _refine_ls_number_reflns 7853 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 1.046 _refine_ls_R_factor_all 0.0386 _refine_ls_R_factor_gt 0.0311 _refine_ls_shift/su_max 0.002 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0348P)^2^+1.3859P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0750 _refine_ls_wR_factor_ref 0.0778 _reflns_Friedel_coverage 0.000 _reflns_number_gt 6733 _reflns_number_total 7853 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file d4sc06150k2.cif _cod_data_source_block exp_1905 _cod_database_code 1572922 _shelx_shelxl_version_number 2018/3 _chemical_oxdiff_formula C35H37B1S4Si1 _shelx_space_group_comment ; The symmetry employed for this shelxl refinement is uniquely defined by the following loop, which should always be used as a source of symmetry information in preference to the above space-group names. They are only intended as comments. ; _shelx_estimated_absorpt_t_max 0.976 _shelx_estimated_absorpt_t_min 0.943 _reflns_odcompleteness_completeness 99.90 _reflns_odcompleteness_iscentric 1 _reflns_odcompleteness_theta 25.30 _olex2_refinement_description ; 1. Fixed Uiso At 1.2 times of: All C(H) groups At 1.5 times of: All C(H,H,H) groups 2.a Ternary CH refined with riding coordinates: C2(H2), C10(H10), C13(H13) 2.b Aromatic/amide H refined with riding coordinates: C5(H5), C9(H9), C21(H21), C22(H22), C23(H23), C24(H24), C30(H30), C31(H31), C32(H32), C33(H33) 2.c Idealised Me refined as rotating group: C1(H1A,H1B,H1C), C3(H3A,H3B,H3C), C11(H11A,H11B,H11C), C12(H12A,H12B,H12C), C14(H14A,H14B,H14C), C15(H15A,H15B,H15C), C34(H34A,H34B,H34C), C35(H35A,H35B, H35C) ; _shelx_res_file ; TITL exp_1905_a.res in P2(1)/c exp_1905.res created by SHELXL-2018/3 at 15:15:00 on 19-Jan-2023 REM Old TITL exp_1905 in P2(1)/c REM SHELXT solution in P2(1)/c: R1 0.088, Rweak 0.004, Alpha 0.021 REM 0.373 for 200 systematic absences, Orientation as input REM Formula found by SHELXT: C36 Si S4 CELL 0.71073 13.804 21.4141 11.1906 90 96.056 90 ZERR 4 0.0002 0.0004 0.0002 0 0.002 0 LATT 1 SYMM -X,0.5+Y,0.5-Z SFAC C H B S Si UNIT 140 148 4 16 4 L.S. 50 PLAN 8 SIZE 0.07 0.13 0.17 TEMP -173 BOND list 4 fmap 2 53 ACTA REM REM REM WGHT 0.034800 1.385900 FVAR 0.28023 S1 4 0.345553 0.762519 0.819433 11.00000 0.01310 0.01316 = 0.01922 -0.00181 0.00484 0.00162 S2 4 0.438070 0.516674 0.702078 11.00000 0.02027 0.01019 = 0.02842 -0.00190 0.00601 -0.00281 S3 4 0.742646 0.873866 0.567954 11.00000 0.02226 0.01207 = 0.02521 0.00056 0.00386 -0.00390 S4 4 0.862969 0.619858 0.486222 11.00000 0.01276 0.01614 = 0.01740 -0.00219 0.00272 0.00237 SI1 5 0.843719 0.741643 0.656783 11.00000 0.01667 0.01477 = 0.01437 -0.00258 -0.00019 -0.00085 C1 1 -0.087352 0.544288 0.810767 11.00000 0.01777 0.02740 = 0.02861 0.00043 0.00790 -0.00192 AFIX 137 H1A 2 -0.146015 0.518540 0.811099 11.00000 -1.50000 H1B 2 -0.104336 0.584108 0.770759 11.00000 -1.50000 H1C 2 -0.059648 0.552165 0.893663 11.00000 -1.50000 AFIX 0 C2 1 -0.012591 0.510059 0.743369 11.00000 0.01366 0.01996 = 0.01412 0.00169 0.00190 -0.00456 AFIX 13 H2 2 -0.042183 0.504063 0.658673 11.00000 -1.20000 AFIX 0 C3 1 0.008640 0.445191 0.797379 11.00000 0.01955 0.02004 = 0.02599 0.00297 0.00246 -0.00532 AFIX 137 H3A 2 0.036518 0.449434 0.881218 11.00000 -1.50000 H3B 2 0.055031 0.423419 0.751503 11.00000 -1.50000 H3C 2 -0.052038 0.421193 0.793993 11.00000 -1.50000 AFIX 0 C4 1 0.080319 0.547696 0.739065 11.00000 0.01287 0.01435 = 0.01510 -0.00005 0.00282 -0.00162 C5 1 0.142506 0.560299 0.842402 11.00000 0.01934 0.01865 = 0.01293 0.00118 0.00326 -0.00360 AFIX 43 H5 2 0.125003 0.546538 0.917922 11.00000 -1.20000 AFIX 0 C6 1 0.229815 0.592581 0.838070 11.00000 0.01651 0.01494 = 0.01512 -0.00061 0.00002 -0.00226 C7 1 0.256162 0.613837 0.726751 11.00000 0.01200 0.01130 = 0.01444 -0.00130 0.00127 -0.00043 C8 1 0.192104 0.603624 0.622461 11.00000 0.01150 0.01348 = 0.01447 0.00044 0.00222 0.00041 C9 1 0.105927 0.570371 0.630167 11.00000 0.01125 0.01710 = 0.01409 -0.00034 0.00017 -0.00117 AFIX 43 H9 2 0.063573 0.563022 0.559006 11.00000 -1.20000 AFIX 0 C10 1 0.296580 0.603948 0.952879 11.00000 0.02479 0.02534 = 0.01505 0.00289 -0.00266 -0.01127 AFIX 13 H10 2 0.353661 0.628406 0.930435 11.00000 -1.20000 AFIX 0 C11 1 0.336178 0.542858 1.009345 11.00000 0.03402 0.03547 = 0.02499 0.01102 -0.00988 -0.00700 AFIX 137 H11A 2 0.282500 0.518630 1.036772 11.00000 -1.50000 H11B 2 0.384207 0.552121 1.077917 11.00000 -1.50000 H11C 2 0.367214 0.518656 0.949548 11.00000 -1.50000 AFIX 0 C12 1 0.247333 0.643168 1.042710 11.00000 0.05083 0.03945 = 0.01941 -0.00950 0.00145 -0.01248 AFIX 137 H12A 2 0.223932 0.682314 1.004537 11.00000 -1.50000 H12B 2 0.294242 0.652440 1.112402 11.00000 -1.50000 H12C 2 0.192153 0.619973 1.068961 11.00000 -1.50000 AFIX 0 C13 1 0.216994 0.627502 0.501191 11.00000 0.01037 0.02055 = 0.01420 0.00193 0.00183 -0.00362 AFIX 13 H13 2 0.276057 0.654552 0.516418 11.00000 -1.20000 AFIX 0 C14 1 0.135308 0.667837 0.438414 11.00000 0.01752 0.02916 = 0.02099 0.00998 0.00350 0.00068 AFIX 137 H14A 2 0.075555 0.642996 0.424535 11.00000 -1.50000 H14B 2 0.154263 0.682545 0.361280 11.00000 -1.50000 H14C 2 0.123818 0.703788 0.489242 11.00000 -1.50000 AFIX 0 C15 1 0.242826 0.573927 0.420414 11.00000 0.02117 0.02866 = 0.01673 -0.00055 0.00655 -0.00039 AFIX 137 H15A 2 0.299373 0.551344 0.459243 11.00000 -1.50000 H15B 2 0.258378 0.590694 0.343219 11.00000 -1.50000 H15C 2 0.187318 0.545335 0.406904 11.00000 -1.50000 AFIX 0 C16 1 0.400876 0.706639 0.739332 11.00000 0.01189 0.01231 = 0.01199 -0.00021 0.00100 0.00235 C17 1 0.494372 0.725461 0.718956 11.00000 0.01149 0.01191 = 0.01229 0.00002 0.00033 0.00029 C18 1 0.559571 0.682850 0.659258 11.00000 0.01077 0.01064 = 0.01318 -0.00162 -0.00042 0.00002 C19 1 0.538434 0.615613 0.673273 11.00000 0.01397 0.01252 = 0.01211 -0.00120 0.00133 -0.00026 C20 1 0.444193 0.596755 0.688841 11.00000 0.01549 0.01094 = 0.01628 -0.00130 0.00046 -0.00251 C21 1 0.446000 0.809690 0.828555 11.00000 0.01876 0.01171 = 0.01779 -0.00254 0.00302 -0.00128 AFIX 43 H21 2 0.450247 0.848694 0.869221 11.00000 -1.20000 AFIX 0 C22 1 0.519363 0.784965 0.770808 11.00000 0.01536 0.01223 = 0.01568 -0.00094 0.00240 -0.00203 AFIX 43 H22 2 0.580141 0.805062 0.765697 11.00000 -1.20000 AFIX 0 C23 1 0.560045 0.508531 0.691752 11.00000 0.02255 0.01398 = 0.02297 0.00050 0.00751 0.00450 AFIX 43 H23 2 0.592982 0.469514 0.695819 11.00000 -1.20000 AFIX 0 C24 1 0.604702 0.564297 0.677032 11.00000 0.01693 0.01489 = 0.01695 0.00102 0.00440 0.00264 AFIX 43 H24 2 0.672374 0.568571 0.670048 11.00000 -1.20000 AFIX 0 C25 1 0.630558 0.704016 0.593856 11.00000 0.01235 0.01169 = 0.01365 -0.00230 -0.00006 0.00030 C26 1 0.649770 0.771461 0.574663 11.00000 0.01687 0.01291 = 0.01351 -0.00123 0.00578 -0.00027 C27 1 0.742134 0.795693 0.602793 11.00000 0.01791 0.01212 = 0.01645 -0.00090 0.00566 -0.00189 C28 1 0.700787 0.662719 0.538580 11.00000 0.01433 0.01125 = 0.01225 0.00125 0.00313 0.00009 C29 1 0.799651 0.672846 0.563371 11.00000 0.01474 0.01362 = 0.01289 -0.00055 0.00313 0.00092 C30 1 0.581062 0.815976 0.522647 11.00000 0.01782 0.01616 = 0.01858 -0.00089 0.00246 0.00081 AFIX 43 H30 2 0.514704 0.806654 0.497794 11.00000 -1.20000 AFIX 0 C31 1 0.621659 0.873410 0.512753 11.00000 0.02484 0.01444 = 0.02464 0.00251 0.00188 0.00302 AFIX 43 H31 2 0.587355 0.908869 0.479445 11.00000 -1.20000 AFIX 0 C32 1 0.677809 0.613346 0.454860 11.00000 0.01344 0.01315 = 0.01595 -0.00088 0.00068 -0.00073 AFIX 43 H32 2 0.613185 0.600928 0.427528 11.00000 -1.20000 AFIX 0 C33 1 0.758686 0.585986 0.418448 11.00000 0.01830 0.01319 = 0.01483 -0.00160 0.00197 0.00038 AFIX 43 H33 2 0.757549 0.552465 0.362710 11.00000 -1.20000 AFIX 0 C34 1 0.967279 0.768977 0.630833 11.00000 0.01669 0.02545 = 0.03586 -0.00765 -0.00249 -0.00273 AFIX 137 H34A 2 0.968354 0.779546 0.545777 11.00000 -1.50000 H34B 2 1.014742 0.735808 0.652849 11.00000 -1.50000 H34C 2 0.984022 0.806018 0.680163 11.00000 -1.50000 AFIX 0 C35 1 0.837066 0.722929 0.817415 11.00000 0.05589 0.02395 = 0.01537 -0.00269 0.00039 0.00463 AFIX 137 H35A 2 0.846656 0.761138 0.865406 11.00000 -1.50000 H35B 2 0.887981 0.692644 0.844283 11.00000 -1.50000 H35C 2 0.773042 0.705111 0.827490 11.00000 -1.50000 AFIX 0 B1 3 0.361309 0.640514 0.715015 11.00000 0.01268 0.01549 = 0.01050 -0.00005 -0.00006 -0.00091 HKLF 4 REM exp_1905_a.res in P2(1)/c REM wR2 = 0.0778, GooF = S = 1.046, Restrained GooF = 1.046 for all data REM R1 = 0.0311 for 6733 Fo > 4sig(Fo) and 0.0386 for all 7853 data REM 378 parameters refined using 0 restraints END WGHT 0.0348 1.3859 REM Highest difference peak 0.363, deepest hole -0.223, 1-sigma level 0.050 Q1 1 0.6619 0.6795 0.5634 11.00000 0.05 0.36 Q2 1 0.9042 0.7572 0.6326 11.00000 0.05 0.36 Q3 1 0.3015 0.6250 0.7196 11.00000 0.05 0.36 Q4 1 0.5251 0.7040 0.6753 11.00000 0.05 0.35 Q5 1 0.8383 0.7338 0.7425 11.00000 0.05 0.33 Q6 1 0.0383 0.5248 0.7453 11.00000 0.05 0.33 Q7 1 0.2030 0.6178 0.5620 11.00000 0.05 0.32 Q8 1 0.3789 0.6787 0.7256 11.00000 0.05 0.32 ; _shelx_res_checksum 3496 _shelx_hkl_file ; 0 0 -2 135.08 3.84 0 0 2 140.68 3.89 0 0 -3 0.19 0.78 0 0 3 0.10 0.60 0 0 4 289.86 7.58 0 0 -4 281.00 7.76 0 0 4 267.63 7.76 0 0 5 -0.28 0.77 0 0 -5 -0.63 0.89 0 0 5 0.17 0.73 0 0 6 565.91 14.23 0 0 -6 566.38 14.55 0 0 6 533.12 14.70 0 0 7 1.37 0.89 0 0 -7 0.22 0.90 0 0 7 -0.96 1.10 0 0 8 463.02 13.14 0 0 -8 494.99 13.65 0 0 8 447.04 13.69 0 0 -9 1.95 1.40 0 0 9 0.77 1.13 0 0 10 0.29 1.11 0 0 -10 0.33 1.55 0 0 11 0.32 1.33 0 0 -11 0.74 1.44 0 0 12 157.09 7.28 0 0 -12 139.05 7.42 0 0 13 0.74 1.69 0 0 -13 -0.88 1.83 0 0 14 2.37 1.98 0 1 -2 1149.77 24.38 0 -1 2 1118.86 24.41 0 1 -2 1135.66 24.36 0 -1 -2 1128.99 24.39 0 1 2 1106.90 24.42 0 -1 3 716.16 15.61 0 -1 3 697.20 15.99 0 -1 -3 673.32 15.95 0 1 -3 679.32 15.94 0 1 3 701.08 16.05 0 -1 4 181.90 5.30 0 -1 4 184.29 5.77 0 -1 -4 180.05 5.66 0 1 -4 181.05 5.67 0 1 4 185.72 5.78 0 -1 5 354.47 9.51 0 1 5 376.46 9.93 0 -1 5 354.24 10.07 0 -1 -5 368.45 10.01 0 1 -5 363.32 9.97 0 1 5 357.48 10.11 0 1 6 11.32 1.49 0 -1 6 14.06 1.48 0 -1 -6 12.79 1.64 0 1 -6 13.90 1.60 0 1 6 11.56 1.59 0 -1 6 15.07 1.74 0 1 -7 31.44 2.56 0 -1 7 27.47 2.26 0 1 7 31.56 2.43 0 1 -7 36.45 2.68 0 -1 -7 35.46 2.69 0 1 7 28.49 2.59 0 -1 7 33.63 2.72 0 1 -8 29.32 2.68 0 -1 8 20.84 2.40 0 -1 8 31.42 2.50 0 1 8 27.20 2.46 0 -1 -8 25.67 2.51 0 1 -8 27.58 2.57 0 1 -9 106.32 5.44 0 -1 9 88.82 5.25 0 -1 9 102.70 4.97 0 1 9 105.04 5.22 0 1 -9 105.68 5.32 0 -1 -9 107.14 5.32 0 -1 10 31.29 3.30 0 1 -10 34.45 3.24 0 -1 10 30.38 2.82 0 1 10 30.91 2.99 0 -1 -11 2.97 1.61 0 -1 11 2.73 1.45 0 1 11 4.91 1.66 0 -1 12 139.41 6.81 0 1 12 145.59 7.17 0 1 -12 143.22 7.50 0 -1 -12 154.40 7.68 0 1 13 1.92 1.75 0 -1 13 2.14 1.68 0 -1 -13 -1.32 1.71 0 1 -13 0.44 1.90 0 -1 14 8.38 2.22 0 1 14 6.14 2.22 0 2 -1 1018.66 21.33 0 -2 1 1005.83 21.33 0 2 1 1002.34 21.36 0 -2 -1 989.41 21.36 0 -2 1 973.16 21.27 0 2 -1 984.60 21.30 0 -2 -1 997.48 20.98 0 2 -2 112.06 3.50 0 -2 2 112.42 2.93 0 -2 -2 115.56 3.50 0 2 2 113.50 3.50 0 2 -2 120.52 3.49 0 -2 3 1731.05 37.53 0 2 -3 1767.59 37.52 0 -2 3 1721.44 36.80 0 -2 -3 1732.41 37.54 0 2 3 1733.41 37.60 0 2 -4 307.42 8.49 0 -2 4 311.44 7.90 0 -2 -4 322.92 8.61 0 -2 4 318.04 8.58 0 2 4 292.49 8.51 0 2 -5 880.75 20.58 0 -2 5 903.38 19.84 0 2 5 867.43 20.44 0 -2 5 869.91 20.64 0 -2 -5 860.90 20.52 0 2 -5 871.26 20.51 0 2 6 36.14 2.51 0 -2 6 36.24 2.24 0 2 -6 38.04 2.64 0 2 -6 34.07 2.47 0 -2 6 38.70 2.70 0 -2 -6 40.19 2.65 0 2 -7 6.69 1.39 0 -2 7 7.71 1.21 0 2 7 6.28 1.40 0 -2 -7 7.28 1.37 0 -2 7 6.03 1.39 0 2 -8 1.06 1.17 0 -2 8 1.43 1.07 0 2 8 1.48 1.22 0 -2 -8 2.26 1.22 0 -2 8 2.23 1.13 0 2 -9 3.30 1.48 0 -2 9 1.58 1.36 0 2 9 1.11 1.05 0 -2 9 0.47 0.99 0 -2 -9 0.28 1.21 0 2 -10 96.03 5.50 0 -2 10 97.62 5.70 0 2 10 105.95 5.53 0 -2 10 99.61 5.00 0 -2 11 5.14 1.98 0 2 -11 2.23 1.60 0 -2 11 6.09 1.65 0 2 11 5.09 1.79 0 2 12 63.17 4.73 0 -2 12 72.82 4.68 0 2 -12 66.66 5.08 0 -2 -12 80.20 5.52 0 -2 13 7.20 1.95 0 2 13 8.34 2.38 0 -2 -13 7.99 2.50 0 2 -13 11.87 2.76 0 2 14 11.00 2.73 0 3 0 0.05 0.39 0 -3 0 0.21 0.38 0 -3 0 0.16 0.32 0 3 0 0.15 0.43 0 3 -1 218.09 5.41 0 -3 1 209.20 5.35 0 3 -1 211.16 5.12 0 -3 -1 219.82 4.94 0 -3 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10 70.65 3.87 2 14 -10 67.93 5.23 -2 -14 10 70.22 5.18 -2 14 9 207.94 7.03 2 14 -9 220.59 9.41 -2 -14 9 213.61 9.15 2 14 -8 31.64 2.93 -2 -14 8 25.28 3.04 -2 14 8 29.84 2.13 2 14 -8 28.04 3.19 2 -14 -8 25.25 2.52 2 -14 -7 59.73 3.57 2 14 -7 57.94 3.74 -2 14 7 58.48 2.75 2 14 -7 62.24 4.47 -2 14 7 60.51 4.32 2 14 -6 59.03 3.64 2 14 -6 57.37 3.96 -2 -14 6 50.93 3.94 2 -14 -6 48.75 3.82 2 -14 -6 59.50 3.32 2 14 -6 52.56 3.99 2 14 -5 1.09 1.31 -2 -14 5 0.28 1.35 2 14 -5 2.76 1.26 2 -14 -5 2.25 0.96 -2 -14 5 0.59 1.25 2 -14 -5 1.80 1.27 2 14 -5 2.17 1.29 2 14 -4 94.67 5.05 -2 -14 4 86.08 4.66 2 -14 -4 83.83 3.63 -2 -14 4 80.01 4.63 2 14 -4 93.87 4.78 2 -14 -4 87.57 4.86 2 14 -3 1922.68 44.93 -2 -14 3 2001.03 44.65 -2 -14 3 1932.38 44.09 2 -14 -3 1980.17 42.47 2 14 -3 1954.12 41.31 2 14 -3 1955.47 44.44 -2 -14 3 1905.16 44.65 2 -14 -3 1917.30 44.87 -2 -14 2 11.93 1.74 -2 -14 2 8.74 1.56 2 -14 -2 8.47 1.69 2 14 -2 6.45 1.43 2 14 -2 7.83 1.58 2 -14 -2 8.61 1.67 2 -14 -2 8.40 1.02 -2 -14 1 28.57 2.43 2 14 -1 28.55 2.52 -2 14 1 31.84 2.71 -2 -14 1 23.34 2.34 -2 -14 1 31.00 2.62 2 -14 -1 27.70 2.44 -2 -14 0 59.67 3.68 -2 -14 0 65.05 3.71 -2 14 0 60.08 2.37 2 14 0 70.10 3.87 -2 14 0 54.75 3.54 -2 14 0 68.18 3.91 2 -14 0 58.60 3.58 -2 -14 0 52.75 3.47 -2 -14 -1 35.37 2.84 2 -14 1 41.10 2.44 -2 14 -1 39.25 1.97 -2 -14 -1 37.49 2.93 2 14 1 47.59 3.21 -2 14 -1 40.27 3.03 -2 14 -1 35.18 2.87 2 -14 1 37.55 2.84 -2 -14 -1 35.97 2.89 -2 -14 -2 86.54 4.63 2 -14 2 89.62 4.48 -2 -14 -2 97.37 4.71 -2 -14 -2 91.38 3.84 2 -14 2 98.87 3.89 -2 -14 -2 96.35 4.93 -2 14 -2 89.64 4.65 -2 14 -2 93.14 3.56 2 14 2 93.90 4.35 -2 14 -2 87.56 4.66 -2 -14 -2 93.13 2.46 -2 14 -3 18.59 0.83 2 14 3 16.96 1.96 2 -14 3 21.13 2.19 -2 -14 -3 18.46 1.69 -2 -14 -3 15.37 2.07 -2 14 -3 17.34 2.12 -2 14 -3 14.66 2.06 -2 -14 -3 22.41 2.41 -2 -14 -3 21.53 2.33 2 14 4 2.40 1.11 -2 14 -4 3.30 1.34 -2 -14 -4 2.47 1.18 -2 -14 -4 1.57 1.17 -2 -14 -4 3.20 0.99 -2 -14 -4 1.79 1.13 -2 14 -4 4.87 1.48 2 -14 4 1.98 1.16 -2 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-0.35 1.37 2 15 -6 21.54 2.32 2 -15 -6 13.88 1.75 2 15 -6 15.26 2.37 -2 -15 6 20.72 2.60 2 -15 -5 81.78 4.87 2 15 -5 83.53 5.08 2 15 -5 82.09 4.72 -2 -15 5 77.00 4.76 -2 -15 5 78.95 4.71 2 -15 -5 88.51 3.88 2 15 -4 2.18 1.48 -2 -15 4 0.28 1.29 2 -15 -4 0.91 0.78 2 15 -4 -0.31 1.18 2 -15 -4 -0.91 1.56 -2 -15 4 -0.29 1.17 2 15 -3 15.22 2.26 -2 -15 3 15.00 2.11 2 -15 -3 19.44 1.59 2 15 -3 18.69 1.05 -2 -15 3 16.82 2.06 -2 -15 3 20.60 2.45 2 15 -3 21.25 2.35 2 -15 -3 22.65 2.55 -2 -15 2 3.11 1.35 -2 -15 2 2.38 1.24 2 -15 -2 1.45 1.32 2 15 -2 3.59 1.35 2 -15 -2 2.08 1.36 2 15 -2 3.18 1.23 2 -15 -2 2.64 0.82 -2 -15 1 207.54 7.55 -2 15 1 209.92 7.82 2 15 -1 209.05 7.72 -2 -15 1 209.71 7.89 2 -15 -1 224.16 7.87 -2 -15 1 198.78 7.61 -2 -15 0 2.13 1.08 -2 -15 0 3.44 1.27 -2 15 0 2.85 0.67 2 15 0 2.02 1.42 -2 15 0 6.45 1.47 -2 15 0 3.30 1.29 2 -15 0 4.92 1.38 -2 -15 0 3.31 1.30 2 -15 1 48.99 3.33 -2 -15 -1 52.06 3.47 -2 -15 -1 50.30 3.48 2 -15 1 45.15 2.72 2 15 1 45.75 3.31 -2 15 -1 50.83 3.46 -2 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18.72 2.07 -2 15 -8 25.75 3.08 -2 -15 -8 18.94 2.88 2 15 8 20.15 2.94 2 15 8 24.25 3.13 2 -15 9 22.76 3.18 2 15 9 31.44 3.63 -2 15 -9 27.82 3.31 2 -15 10 17.13 3.07 -2 15 -10 14.60 2.54 2 15 10 15.36 2.97 -2 15 -11 2.66 1.98 2 15 11 2.56 2.21 2 -16 -10 4.24 2.26 -2 -16 10 3.07 2.00 2 16 -10 5.49 2.19 2 -16 -9 15.09 2.80 -2 16 9 14.95 2.77 -2 -16 9 18.40 2.87 2 16 -9 10.79 2.72 -2 16 8 20.95 2.99 2 -16 -8 17.03 2.21 2 16 -8 14.65 2.58 -2 -16 8 20.15 2.79 2 -16 -7 137.86 5.66 -2 16 7 143.46 7.06 2 16 -7 133.72 6.97 2 16 -7 131.57 6.05 2 16 -6 196.41 7.45 2 -16 -6 201.32 6.84 2 16 -6 188.02 8.36 -2 16 6 197.83 8.21 -2 -16 6 189.06 8.26 2 -16 -5 45.48 2.76 -2 -16 5 43.68 3.64 2 16 -5 43.99 3.54 2 16 -5 50.50 3.96 2 16 -4 24.18 2.57 2 16 -4 24.42 2.80 -2 -16 4 21.08 2.51 2 -16 -4 19.40 1.72 -2 -16 4 20.91 2.61 2 -16 -4 27.46 2.86 -2 -16 3 65.86 4.28 2 16 -3 68.55 4.47 -2 -16 3 71.64 4.31 -2 -16 3 66.16 3.92 2 -16 -3 72.26 3.05 2 16 -3 71.81 4.30 2 16 -3 64.59 2.05 2 -16 -3 69.29 4.44 -2 -16 2 -0.82 1.39 -2 -16 2 1.51 1.17 2 16 -2 0.31 1.17 2 -16 -2 0.28 1.30 2 -16 -2 -0.32 0.61 2 16 -2 -0.82 1.34 2 -16 -2 -0.31 1.13 2 -16 -1 20.30 2.32 -2 -16 1 19.19 2.24 -2 -16 1 19.56 2.21 -2 -16 1 20.02 2.39 2 -16 -1 18.91 0.89 2 16 -1 19.97 2.38 -2 16 1 18.24 2.24 -2 16 0 22.72 1.34 -2 16 0 16.22 2.17 2 16 0 25.90 2.62 -2 -16 0 25.03 2.46 -2 16 0 24.18 2.59 -2 -16 0 22.83 2.56 -2 -16 0 26.27 2.61 2 -16 0 22.56 2.39 -2 -16 -1 228.81 8.27 2 -16 1 211.06 7.07 2 -16 1 217.33 8.03 -2 -16 -1 204.62 7.96 -2 16 -1 215.30 8.17 2 16 1 232.55 8.29 -2 -16 -1 209.40 8.22 -2 16 -1 228.36 8.50 -2 16 -1 221.99 6.00 -2 16 -2 36.50 1.72 -2 16 -2 30.42 2.98 2 -16 2 34.30 2.90 -2 -16 -2 30.51 2.86 -2 -16 -2 36.15 3.13 -2 -16 -2 33.73 2.31 2 -16 2 35.44 2.44 -2 16 -2 34.39 1.97 2 16 2 34.67 2.72 -2 -16 -2 37.22 3.27 -2 16 -2 32.82 3.06 -2 -16 -3 5.87 0.70 -2 -16 -3 3.46 1.39 2 16 3 3.05 1.30 -2 16 -3 6.62 1.63 -2 -16 -3 7.26 1.67 2 -16 3 5.36 1.64 -2 -16 -3 3.98 0.97 -2 16 -3 4.88 0.42 -2 16 -3 7.18 1.13 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43.33 4.31 -2 -18 9 42.79 4.19 -2 18 9 48.00 4.44 -2 18 8 -0.83 1.72 2 18 -8 0.88 1.78 2 18 -7 43.13 4.10 2 -18 -7 38.94 2.92 -2 18 7 38.36 3.74 -2 -18 7 36.27 3.75 2 18 -6 3.19 1.75 2 -18 -6 4.52 1.41 -2 18 6 2.46 1.71 -2 -18 6 3.05 1.71 2 -18 -5 349.36 9.88 2 18 -5 359.51 12.52 -2 18 5 354.13 11.81 -2 -18 5 332.32 12.07 2 18 -4 66.25 2.27 2 -18 -4 62.88 3.04 2 18 -4 61.65 4.56 -2 18 4 57.42 3.93 -2 -18 4 52.82 4.18 2 -18 -3 -0.48 0.65 -2 -18 3 -1.01 1.43 -2 -18 3 -0.28 1.40 -2 18 3 0.77 1.07 2 18 -3 -0.71 1.45 2 18 -2 3.67 1.57 2 -18 -2 2.76 1.49 2 18 -2 3.15 1.57 -2 18 2 3.16 1.23 -2 -18 2 2.80 1.34 2 -18 -1 799.18 20.91 -2 -18 1 806.56 20.93 -2 -18 1 839.57 20.86 2 -18 -1 789.28 21.38 2 -18 -1 751.21 16.53 -2 18 1 785.20 21.00 2 18 -1 772.51 20.81 2 18 -1 714.76 21.03 -2 18 1 828.10 19.36 -2 -18 1 816.92 21.35 -2 -18 0 13.61 2.26 -2 -18 0 12.20 2.08 -2 18 0 12.33 2.12 2 18 0 15.18 2.39 -2 18 0 20.24 2.74 -2 18 0 14.12 1.53 -2 -18 0 12.70 2.05 2 -18 0 18.84 2.39 -2 -18 -1 26.00 2.90 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1.72 1.60 5 -19 -3 6.91 2.15 5 19 -3 0.39 1.64 -5 -19 3 3.89 1.82 5 19 -2 12.19 2.44 5 -19 -2 7.83 2.03 -5 -19 2 11.94 2.23 -5 19 1 66.68 3.32 5 -19 -1 59.98 4.50 -5 -19 1 66.10 4.54 5 19 -1 60.49 4.61 -5 -19 1 71.11 4.75 5 -19 0 14.13 1.67 -5 -19 0 12.50 2.38 -5 -19 0 13.08 2.17 -5 19 0 14.44 1.66 5 19 0 15.33 2.41 -5 -19 0 14.12 2.31 5 -19 0 13.36 2.32 5 -19 1 88.06 3.16 5 -19 1 91.75 3.91 -5 -19 -1 93.46 5.59 -5 -19 -1 93.22 5.47 -5 19 -1 94.36 4.15 -5 19 -1 93.90 5.44 -5 -19 -1 91.25 5.04 -5 -19 -2 20.05 2.54 -5 19 -2 22.60 2.12 -5 19 -2 18.10 2.71 -5 -19 -2 17.20 2.51 5 -19 2 14.19 2.38 5 -19 2 19.59 1.70 -5 -19 -2 20.60 2.41 5 -19 3 4.10 1.73 -5 -19 -3 5.40 1.78 -5 19 -3 6.90 1.87 -5 -19 -3 7.30 1.88 -5 19 -3 5.13 1.48 -5 -19 -3 5.17 1.53 5 -19 3 8.74 1.47 -5 19 -4 155.51 7.43 -5 -19 -4 167.96 7.86 -5 19 -4 160.14 6.49 5 -19 4 179.79 8.12 -5 -19 -4 165.85 6.92 5 -19 4 158.98 6.23 -5 19 -5 70.90 4.88 -5 -19 -5 63.49 4.91 5 -19 5 66.31 4.01 -5 -19 -5 72.46 4.33 -5 19 -5 77.52 4.45 5 -19 5 77.87 5.27 -5 19 -6 17.34 2.39 5 -19 6 12.86 2.56 -5 19 -6 19.02 2.84 -5 -19 -6 19.03 2.42 -5 -19 -6 19.52 2.98 -5 -19 -7 183.54 8.93 -5 19 -7 194.96 8.64 -5 -19 -8 35.39 4.05 -5 19 -8 30.27 3.46 -5 19 -9 3.37 2.11 -5 -20 9 10.75 2.45 -5 -20 8 70.91 5.13 5 -20 -8 79.25 5.74 -5 -20 7 13.08 2.74 5 -20 -7 20.93 3.12 -5 -20 6 1.59 1.58 5 -20 -6 1.70 1.61 5 -20 -5 5.30 1.95 -5 -20 5 4.21 1.92 5 20 -5 4.58 0.71 5 20 -5 2.15 1.90 -5 -20 4 9.26 2.14 5 20 -4 10.87 2.30 5 -20 -4 12.58 2.41 -5 -20 3 2.57 1.61 5 20 -3 0.41 1.66 -5 -20 3 0.36 1.41 5 -20 -3 0.38 1.68 -5 -20 2 14.27 2.48 5 20 -2 16.85 2.76 5 -20 -2 18.37 2.67 -5 -20 1 2.95 1.84 5 -20 -1 1.12 1.57 -5 -20 1 3.53 1.72 5 20 -1 0.79 1.64 5 20 0 7.12 2.01 -5 20 0 8.34 1.29 5 -20 0 7.69 1.40 -5 -20 0 6.70 2.00 -5 -20 0 7.83 1.91 5 -20 0 4.82 1.84 -5 -20 0 5.63 1.74 -5 20 -1 98.44 5.79 5 -20 1 101.82 4.31 -5 -20 -1 108.49 6.11 -5 20 -1 107.00 4.43 -5 -20 -1 91.93 5.60 -5 -20 -1 105.51 5.61 -5 20 -2 98.69 5.66 -5 -20 -2 90.67 5.66 -5 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2.12 8 -8 -4 33.04 2.88 -8 8 4 32.42 2.78 8 8 -4 33.44 2.55 -8 -8 4 32.93 2.04 8 -8 -3 14.49 2.09 8 8 -3 19.65 1.98 -8 -8 3 20.84 1.57 8 8 -3 18.67 1.94 -8 -8 3 17.77 1.80 -8 -8 3 19.83 1.90 -8 8 3 17.41 2.13 8 -8 -3 21.25 1.78 8 8 -3 18.43 1.56 -8 -8 3 18.38 1.36 8 -8 -3 16.86 1.86 -8 8 3 16.76 1.50 8 -8 -2 306.57 9.16 -8 8 2 293.85 9.71 -8 -8 2 282.23 8.78 8 8 -2 301.44 7.99 -8 8 2 290.44 8.22 8 8 -2 302.74 9.00 8 -8 -2 293.04 9.71 8 -8 -2 297.06 8.38 8 8 -2 293.40 8.84 -8 -8 2 295.36 8.69 -8 -8 2 288.41 7.30 8 -8 -2 299.74 8.36 -8 -8 2 286.80 7.90 -8 8 1 152.95 5.26 -8 -8 1 160.69 5.73 -8 8 1 143.06 6.28 -8 8 1 152.82 5.13 8 -8 -1 152.18 6.30 8 -8 -1 142.80 4.89 8 8 -1 155.32 5.51 -8 -8 1 157.12 5.39 -8 -8 1 156.40 6.34 -8 -8 1 152.83 4.16 8 -8 -1 158.25 5.86 8 -8 -1 154.17 5.17 -8 -8 0 67.04 2.91 8 -8 0 66.52 3.14 8 8 0 69.73 3.32 8 -8 0 71.73 2.86 -8 -8 0 67.26 3.18 -8 -8 0 72.59 4.02 8 -8 0 70.83 2.24 -8 -8 0 70.56 2.23 -8 8 0 67.21 3.13 -8 8 0 61.55 3.20 -8 -8 0 65.97 3.51 -8 8 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20.94 1.96 -8 -8 -6 22.52 2.76 8 -8 6 24.70 2.88 8 -8 6 22.97 2.51 -8 -8 -6 20.06 1.97 -8 -8 -7 2.90 1.21 8 -8 7 2.46 1.38 -8 -8 -7 2.13 1.10 -8 8 -7 1.44 1.18 -8 8 -7 3.14 1.57 8 8 7 3.44 1.38 -8 -8 -7 1.89 1.54 -8 8 -7 2.23 1.08 -8 8 -8 10.11 1.66 8 8 8 9.88 1.92 8 -8 8 8.11 1.99 -8 -8 -8 8.28 1.71 -8 8 -8 7.97 1.67 -8 8 -9 12.06 1.93 -8 8 -9 10.29 1.85 8 8 9 12.40 2.26 8 -8 9 11.05 2.19 -8 8 -10 23.30 2.68 8 -8 10 22.40 3.07 8 8 10 26.00 3.13 8 -8 11 15.60 2.90 8 8 11 10.17 2.54 8 8 12 16.76 2.98 -8 -9 12 6.71 2.16 -8 9 12 6.62 2.80 8 9 -11 0.89 1.84 -8 -9 11 0.76 1.58 -8 9 11 1.43 1.93 8 9 -10 43.26 4.09 -8 -9 10 53.68 4.14 -8 9 10 57.41 4.81 8 9 -9 34.99 3.65 -8 -9 9 44.32 3.53 -8 9 9 46.31 4.22 -8 -9 8 0.27 1.27 -8 9 8 2.65 1.76 8 9 -8 0.28 1.40 8 9 -8 1.75 1.35 8 9 -7 55.59 3.43 -8 -9 7 59.96 3.63 8 9 -7 59.58 4.18 8 -9 -7 60.74 4.04 8 -9 -7 53.25 3.61 -8 9 7 54.28 4.18 8 9 -7 60.55 3.82 -8 -9 6 37.47 2.69 8 9 -6 44.91 3.45 8 9 -6 37.50 3.27 -8 -9 6 30.15 2.86 8 -9 -6 36.71 3.04 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7.80 2.24 -8 14 -6 7.54 1.68 -8 -14 -7 5.78 1.64 -8 -14 -7 5.85 1.95 -8 14 -7 4.32 1.23 -8 14 -7 5.55 1.56 -8 -14 -7 3.37 1.82 -8 14 -8 26.08 2.82 8 14 8 18.44 2.73 -8 -14 -8 24.15 3.25 8 -14 8 24.97 3.34 -8 14 -9 147.43 6.82 8 -14 9 141.49 7.70 8 14 9 135.37 7.16 -8 -14 -9 147.31 7.74 8 14 10 5.41 2.09 8 14 11 4.46 2.42 -8 -15 11 23.01 3.07 -8 -15 10 26.89 3.23 8 -15 -10 24.66 3.43 8 15 -9 46.49 4.49 -8 -15 9 44.51 3.88 8 -15 -9 43.52 4.06 8 -15 -8 16.86 2.69 8 15 -8 16.01 2.76 -8 -15 8 19.09 2.54 8 15 -8 17.35 2.19 8 -15 -7 3.16 1.71 8 15 -7 2.78 1.65 -8 -15 7 4.07 1.52 8 15 -7 1.65 1.29 8 -15 -6 137.88 6.76 8 15 -6 148.41 6.43 8 15 -6 159.73 7.53 -8 -15 6 151.57 6.33 8 15 -6 140.73 5.75 8 15 -5 11.35 2.24 8 15 -5 11.10 1.55 8 -15 -5 9.62 1.90 8 15 -5 10.93 2.00 8 -15 -5 13.31 2.20 -8 -15 5 10.25 1.74 -8 -15 5 13.08 2.04 -8 -15 4 0.26 1.24 8 15 -4 -0.75 1.18 8 15 -4 -0.67 1.42 8 -15 -4 1.70 1.49 8 15 -4 0.85 0.96 8 -15 -4 -0.87 1.50 8 -15 -4 1.47 1.22 8 -15 -3 12.40 1.96 8 15 -3 12.52 2.19 8 -15 -3 16.63 2.23 -8 -15 3 13.01 2.09 -8 15 3 12.86 2.05 8 15 -3 16.23 2.00 -8 -15 3 16.16 2.07 8 15 -3 11.92 1.46 8 -15 -3 17.65 2.23 -8 15 2 98.72 5.04 8 15 -2 97.27 4.72 8 15 -2 91.81 5.22 8 -15 -2 89.99 4.68 -8 -15 2 104.90 5.20 -8 -15 2 103.70 5.78 -8 -15 2 89.82 4.41 8 -15 -2 90.68 4.88 8 -15 -2 95.00 4.93 8 -15 -2 92.92 5.40 -8 -15 1 2.56 1.22 8 15 -1 3.02 1.33 8 -15 -1 2.56 1.30 -8 -15 1 1.55 0.90 8 -15 -1 2.28 1.35 -8 -15 1 3.73 1.35 -8 -15 1 0.70 1.48 -8 15 1 3.89 1.42 -8 15 1 2.69 1.25 8 -15 -1 0.27 1.24 -8 -15 1 4.67 1.48 8 15 0 102.91 5.40 -8 -15 0 109.10 5.27 8 -15 0 102.02 4.79 -8 -15 0 108.49 3.85 -8 15 0 96.99 5.13 -8 15 0 110.72 5.27 -8 -15 0 98.03 5.73 -8 -15 0 102.80 5.01 -8 -15 0 104.84 5.09 -8 -15 0 102.47 4.42 -8 15 -1 6.32 1.82 -8 -15 -1 7.54 1.65 -8 -15 -1 4.29 1.14 -8 -15 -1 5.73 1.53 8 -15 1 6.06 1.43 -8 -15 -1 4.94 1.87 -8 15 -1 5.34 1.50 -8 -15 -1 4.43 1.03 8 -15 1 4.78 1.56 -8 -15 -1 5.17 1.47 -8 -15 -2 4.40 1.16 -8 15 -2 1.38 1.36 -8 -15 -2 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128.98 7.16 -8 -15 -8 119.57 6.85 -8 -15 -9 -0.44 1.98 8 15 10 41.31 4.00 -8 -16 11 66.80 5.19 8 -16 -10 25.84 3.57 -8 -16 10 26.65 3.36 8 -16 -9 109.08 6.40 8 16 -9 94.90 6.51 -8 -16 9 93.43 5.71 8 -16 -8 4.28 1.92 8 16 -8 5.81 1.68 8 16 -8 3.49 2.18 -8 -16 8 3.61 1.69 -8 -16 7 2.70 1.46 8 16 -7 2.89 1.60 8 16 -7 0.92 1.15 8 -16 -7 3.29 1.64 -8 -16 6 18.97 2.33 -8 -16 6 15.17 2.30 8 -16 -6 19.34 2.64 8 16 -6 14.09 2.65 8 16 -6 17.82 1.98 -8 -16 5 53.48 3.83 8 -16 -5 49.89 3.98 8 16 -5 51.22 3.65 8 16 -5 52.36 4.26 8 16 -5 56.09 3.13 8 -16 -5 50.69 3.81 -8 -16 4 25.21 2.69 8 16 -4 29.52 2.10 8 -16 -4 26.71 2.86 8 16 -4 31.81 3.24 8 16 -4 31.03 2.86 8 -16 -4 23.02 2.74 8 -16 -3 106.43 5.46 -8 -16 3 125.33 5.03 8 16 -3 113.61 5.39 -8 16 3 118.67 5.64 8 -16 -3 114.70 5.58 8 16 -3 112.33 6.00 8 -16 -3 115.52 5.82 -8 -16 3 118.22 5.58 8 -16 -2 19.79 2.39 8 16 -2 12.19 2.14 -8 -16 2 11.29 2.03 8 -16 -2 13.51 2.13 8 16 -2 15.98 2.13 -8 16 2 17.80 2.32 -8 -16 2 16.73 1.99 -8 16 1 44.77 3.34 -8 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7.95 1.69 10 -3 -5 9.70 1.49 -10 3 5 14.35 1.74 -10 -3 5 11.19 1.34 10 3 -5 13.11 2.13 10 -3 -5 14.65 2.15 -10 -3 4 133.78 6.00 -10 3 4 115.85 5.87 10 3 -4 129.37 3.49 10 -3 -4 124.81 3.81 10 3 -4 126.79 4.96 10 -3 -4 128.21 4.81 10 3 -4 128.87 5.68 10 3 -4 137.90 6.10 10 -3 -4 125.48 6.09 -10 -3 4 130.23 4.20 10 -3 -4 134.43 4.77 10 3 -3 6.79 1.04 10 3 -3 10.14 1.63 10 -3 -3 5.67 0.97 10 3 -3 7.32 1.71 10 -3 -3 8.21 1.81 10 -3 -3 6.58 1.00 10 -3 -3 7.75 0.59 -10 -3 3 9.68 1.78 -10 3 3 5.02 1.53 10 -3 -2 8.53 0.88 10 3 -2 9.05 1.54 10 -3 -2 9.77 1.38 -10 -3 2 10.46 1.79 -10 3 2 5.60 1.60 10 -3 -2 5.84 0.91 10 3 -2 8.29 1.00 10 -3 -2 6.95 1.70 10 3 -2 5.34 1.57 10 -3 -1 6.95 0.97 10 -3 -1 5.42 0.49 10 -3 -1 4.82 1.01 -10 -3 1 4.08 1.35 10 -3 -1 3.77 0.45 10 3 -1 4.81 0.73 -10 3 1 5.10 1.63 10 -3 -1 4.91 1.62 10 3 -1 5.85 1.56 -10 3 1 3.21 1.27 -10 -3 0 19.20 2.31 -10 3 0 19.52 2.43 -10 3 0 17.49 2.16 10 -3 0 20.32 1.43 -10 -3 -1 63.18 3.46 -10 -3 -1 54.04 3.85 -10 3 -1 59.86 4.19 -10 3 -1 66.72 4.05 -10 3 -1 64.70 2.30 -10 -3 -1 63.14 2.00 -10 -3 -1 63.81 1.97 -10 3 -2 22.51 2.56 -10 3 -2 20.00 1.45 -10 -3 -2 17.31 1.88 -10 3 -2 18.42 2.51 -10 -3 -2 18.50 2.37 -10 -3 -3 1.15 0.38 -10 -3 -3 0.41 0.90 10 -3 3 0.57 0.78 -10 3 -3 0.31 1.44 -10 3 -3 0.35 1.41 -10 -3 -3 1.61 1.44 10 3 3 0.16 0.51 -10 -3 -4 3.35 0.62 -10 3 -4 5.29 1.16 10 -3 4 3.72 1.05 -10 -3 -4 3.83 1.27 -10 3 -4 2.79 0.76 -10 -3 -4 1.07 1.60 -10 3 -4 1.96 1.43 10 3 4 4.01 0.90 -10 3 -4 2.95 1.74 -10 -3 -4 2.75 1.51 -10 3 -5 26.33 1.27 10 -3 5 28.89 2.33 -10 3 -5 29.29 1.80 -10 3 -5 25.31 2.24 10 3 5 28.54 2.09 -10 -3 -5 26.94 3.15 -10 -3 -5 26.53 1.64 -10 3 -6 161.12 4.89 10 3 6 169.38 6.17 -10 -3 -6 168.56 5.34 -10 3 -6 172.97 5.34 -10 -3 -6 165.62 5.33 -10 3 -6 168.98 6.46 10 -3 6 154.94 6.28 -10 -3 -6 164.46 7.93 -10 -3 -7 133.93 4.91 -10 3 -7 132.44 4.65 10 -3 7 144.30 6.12 -10 3 -7 128.52 5.83 10 3 7 133.88 5.71 10 3 8 7.56 1.78 10 -3 8 6.77 1.84 -10 3 -8 7.33 1.36 -10 -3 -8 7.55 1.43 10 -3 9 38.41 3.48 10 3 9 38.02 3.38 10 -3 10 16.29 2.81 10 3 10 17.83 2.67 10 3 11 10.59 2.38 10 -3 11 7.53 2.21 10 3 12 7.43 2.50 -10 -4 13 27.50 3.53 -10 -4 12 4.07 2.20 10 4 -12 -0.45 1.66 -10 4 12 1.83 2.08 10 -4 -12 1.35 1.66 -10 -4 11 2.21 1.62 10 4 -11 3.75 1.93 -10 4 11 0.84 1.51 10 -4 -11 0.41 1.64 10 -4 -10 6.06 2.17 10 4 -10 8.03 2.13 10 4 -10 4.07 1.50 -10 4 10 6.54 2.06 -10 -4 10 6.95 1.84 10 -4 -9 14.40 2.44 10 4 -9 12.61 1.86 -10 4 9 14.30 2.39 -10 -4 9 13.19 2.11 10 4 -9 9.75 2.12 10 4 -8 1.36 1.04 10 -4 -8 0.78 1.22 -10 -4 8 3.57 1.47 -10 4 8 3.78 1.62 10 4 -8 0.94 1.38 10 -4 -7 5.63 1.45 -10 -4 7 6.74 1.37 10 4 -7 10.08 1.82 10 4 -7 7.25 1.28 -10 4 7 5.93 1.69 10 4 -6 470.45 13.39 10 4 -6 460.50 13.88 -10 -4 6 442.62 12.26 10 -4 -6 468.84 12.84 -10 4 6 462.86 13.36 10 4 -6 460.67 14.05 -10 4 5 16.59 2.40 10 -4 -5 13.66 1.39 10 -4 -5 16.55 1.77 -10 -4 5 16.69 1.55 10 4 -5 17.32 1.97 10 4 -5 13.87 2.07 10 4 -5 15.49 1.26 10 4 -5 15.53 2.13 10 -4 -5 11.99 2.16 10 4 -4 40.39 2.69 10 4 -4 42.04 3.20 -10 -4 4 43.67 2.10 10 -4 -4 45.50 2.64 10 4 -4 43.27 1.74 10 -4 -4 44.62 2.07 -10 -4 4 45.25 3.32 -10 4 4 45.07 3.60 10 4 -4 47.55 3.43 10 -4 -4 39.05 3.41 10 4 -3 26.78 1.96 -10 4 3 22.74 2.61 -10 -4 3 25.36 2.50 10 -4 -3 24.77 1.88 10 4 -3 25.56 2.46 10 -4 -3 25.21 1.29 -10 -4 3 26.67 1.16 10 -4 -3 23.18 2.65 10 4 -3 27.81 2.71 -10 -4 2 28.98 2.67 -10 4 2 25.38 2.67 10 -4 -2 29.99 1.94 10 -4 -2 28.06 2.03 10 4 -2 28.24 2.45 10 4 -2 28.73 1.85 10 -4 -2 30.00 1.18 10 -4 -2 31.95 2.96 10 4 -2 29.99 2.74 10 -4 -1 1.73 0.42 10 4 -1 1.49 0.64 -10 -4 1 1.86 1.28 10 -4 -1 1.29 0.41 10 -4 -1 1.86 0.77 -10 4 1 1.21 1.20 10 -4 -1 2.63 1.42 10 -4 -1 2.64 0.79 -10 4 1 3.35 1.31 -10 4 0 27.83 2.80 -10 -4 0 25.00 1.32 10 -4 0 21.73 1.67 -10 4 0 22.01 2.30 -10 4 0 25.55 1.24 -10 -4 0 22.14 2.37 -10 -4 -1 139.63 3.71 -10 -4 -1 138.33 5.60 -10 4 -1 134.79 6.01 -10 -4 -1 133.27 3.77 -10 4 -1 136.62 4.12 -10 -4 -1 140.11 6.28 -10 4 -1 131.84 6.43 -10 -4 -2 109.98 3.07 -10 -4 -2 107.31 4.84 -10 4 -2 105.40 3.79 -10 4 -2 103.39 5.30 -10 -4 -2 115.26 3.74 -10 4 -2 104.83 5.67 -10 -4 -2 104.53 5.47 10 -4 3 1.26 0.94 -10 -4 -3 0.92 0.53 -10 -4 -3 1.10 1.11 -10 -4 -3 1.03 1.40 -10 4 -3 2.10 1.19 -10 4 -3 -0.35 1.45 -10 -4 -3 0.95 1.34 10 4 3 0.45 0.52 -10 -4 -4 345.11 8.50 10 -4 4 343.79 9.84 -10 -4 -4 326.93 10.34 10 4 4 333.64 8.93 -10 4 -4 345.80 11.62 -10 -4 -4 351.67 12.24 -10 4 -4 346.57 12.17 -10 -4 -4 342.70 11.80 10 -4 4 345.65 11.38 -10 -4 -5 13.56 1.29 -10 4 -5 11.09 0.93 -10 4 -5 10.50 1.64 10 -4 5 12.32 1.65 -10 4 -5 9.24 0.96 -10 -4 -5 13.26 2.34 10 4 5 11.45 1.41 -10 4 -6 54.57 2.43 10 -4 6 48.32 3.36 -10 4 -6 56.09 2.47 10 4 6 57.42 3.30 -10 -4 -6 59.80 4.66 -10 4 -6 59.73 3.60 -10 -4 -6 57.51 2.87 10 4 7 28.49 2.59 -10 4 -7 28.32 1.97 -10 4 -7 26.63 2.74 10 -4 7 27.21 2.64 10 -4 8 67.97 4.34 -10 -4 -8 72.95 3.77 10 4 8 76.19 4.38 10 4 9 7.06 1.69 10 -4 9 6.70 2.05 10 4 10 2.40 1.92 10 -4 10 -0.37 1.90 10 4 11 0.38 1.90 10 -4 11 -0.80 1.92 10 4 12 14.85 2.87 -10 -5 13 -0.88 2.20 10 -5 -12 -0.45 1.87 -10 5 12 1.40 2.01 -10 -5 12 0.40 1.53 -10 -5 11 1.10 1.84 -10 5 11 0.43 2.12 10 5 -11 1.68 1.85 10 -5 -11 -0.83 1.87 10 5 -10 86.52 4.62 10 5 -10 81.22 5.35 -10 5 10 76.17 5.38 -10 -5 10 83.98 5.03 10 5 -9 13.72 1.96 -10 -5 9 12.54 2.08 -10 5 9 13.70 2.32 10 5 -9 15.53 2.37 10 -5 -8 9.69 1.85 -10 -5 8 12.93 1.90 10 5 -8 11.19 1.58 10 5 -8 14.40 2.37 -10 5 8 9.50 1.99 10 -5 -7 35.22 2.85 -10 -5 7 33.70 2.65 -10 5 7 35.52 3.11 10 5 -7 37.67 3.19 10 5 -6 52.56 3.52 10 -5 -6 53.23 3.32 -10 -5 6 51.77 2.91 10 -5 -6 49.75 2.84 10 5 -6 41.05 3.43 -10 5 6 43.15 3.31 10 5 -5 -0.57 1.20 10 -5 -5 -0.32 1.24 10 5 -5 -0.23 0.87 10 5 -5 0.56 1.21 10 -5 -5 -0.60 1.14 -10 -5 5 -0.28 0.72 10 5 -5 0.22 0.63 10 -5 -5 -0.14 0.70 10 5 -4 30.70 2.39 10 5 -4 40.29 3.14 10 -5 -4 33.32 2.37 -10 -5 4 30.52 1.73 10 -5 -4 32.37 1.87 10 5 -4 34.68 1.64 -10 -5 4 31.68 2.79 10 5 -4 38.70 3.06 10 -5 -4 33.66 3.12 10 5 -3 251.30 7.53 -10 -5 3 235.71 5.72 10 5 -3 229.38 8.30 -10 -5 3 252.45 8.69 10 -5 -3 242.37 7.40 10 -5 -3 250.59 9.10 10 5 -3 248.42 8.68 10 -5 -3 238.69 6.30 10 -5 -2 68.17 2.78 10 5 -2 62.42 3.02 -10 5 2 69.49 3.83 10 5 -2 73.85 4.03 10 -5 -2 63.64 3.11 10 -5 -2 62.06 4.14 10 5 -2 76.18 4.21 10 -5 -2 66.85 3.17 10 -5 -2 68.58 2.38 -10 -5 2 68.83 4.07 10 -5 -1 4.66 0.98 10 5 -1 2.34 0.74 10 -5 -1 3.27 0.57 10 -5 -1 2.96 1.42 10 -5 -1 1.37 0.74 -10 -5 1 2.54 0.72 -10 5 1 4.62 1.33 -10 -5 1 5.74 1.61 10 -5 -1 4.20 0.65 10 -5 0 78.48 3.39 -10 -5 0 75.61 2.78 -10 -5 0 71.16 3.98 -10 5 0 76.25 4.14 -10 5 0 73.38 2.65 10 5 0 73.26 2.84 -10 -5 0 69.51 4.24 -10 -5 -1 1.86 1.16 -10 -5 -1 2.79 1.46 -10 -5 -1 1.95 1.35 -10 5 -1 0.77 1.14 -10 5 -1 2.86 0.73 -10 -5 -1 2.97 0.60 -10 -5 -1 2.93 0.63 -10 -5 -2 1.96 0.58 -10 -5 -2 1.63 1.20 -10 5 -2 2.52 0.79 -10 5 -2 1.65 1.27 -10 -5 -2 1.01 1.27 -10 -5 -2 1.01 0.65 -10 -5 -2 2.64 1.31 10 5 3 104.13 3.31 -10 -5 -3 109.80 5.11 -10 -5 -3 112.30 3.53 -10 5 -3 107.55 5.48 -10 -5 -3 99.57 5.78 -10 -5 -3 115.02 5.85 -10 5 -3 106.96 4.19 10 -5 4 20.07 1.98 -10 -5 -4 22.60 2.35 -10 -5 -4 20.60 2.82 10 -5 4 24.50 2.67 10 5 4 21.66 1.62 -10 -5 -4 25.09 2.87 -10 -5 -4 24.06 1.56 -10 5 -5 -0.08 0.53 -10 -5 -5 -1.68 0.81 10 -5 5 0.44 1.02 -10 5 -5 0.21 1.00 -10 -5 -5 0.38 1.49 10 5 5 0.48 0.84 -10 5 -6 169.97 5.11 10 5 6 152.41 5.95 -10 5 -6 168.24 4.61 -10 5 -6 166.75 6.55 10 -5 6 173.26 6.77 -10 -5 -6 168.66 8.07 -10 -5 -6 164.93 5.60 10 -5 7 -0.56 1.29 -10 5 -7 -0.27 1.29 -10 5 -7 0.99 0.79 10 5 7 -0.23 1.19 10 5 8 40.99 3.26 10 -5 8 49.60 3.77 10 5 9 129.35 6.21 10 -5 9 123.27 6.44 10 5 10 5.50 1.98 10 -5 10 6.38 2.18 10 5 11 21.96 3.07 10 -5 11 22.83 3.21 10 5 12 2.47 2.09 -10 6 12 142.09 8.13 -10 -6 12 158.73 7.86 -10 6 11 0.44 1.58 10 6 -11 0.85 1.81 -10 -6 11 0.73 1.72 10 6 -10 25.68 2.60 -10 6 10 24.41 3.30 10 6 -10 21.63 2.99 -10 -6 10 18.38 2.56 10 6 -9 31.63 2.62 -10 -6 9 25.86 2.74 -10 6 9 26.48 3.17 10 6 -9 24.53 3.00 10 -6 -8 70.77 4.32 -10 6 8 68.89 4.63 -10 -6 8 67.29 3.99 10 6 -8 67.61 4.52 -10 -6 7 9.92 1.58 10 -6 -7 10.22 1.89 10 6 -7 12.75 2.09 10 -6 -7 8.04 1.54 -10 6 7 10.25 1.99 -10 6 6 30.65 2.84 10 6 -6 25.48 2.64 -10 -6 6 31.32 2.29 10 -6 -6 27.33 2.50 10 -6 -6 29.83 2.28 10 6 -6 32.84 3.06 10 6 -6 27.74 2.01 10 6 -5 74.99 4.08 10 6 -5 79.98 4.61 10 -6 -5 76.30 3.93 -10 -6 5 73.86 3.26 10 -6 -5 77.01 3.44 10 6 -5 71.24 3.03 10 6 -5 79.37 4.57 10 -6 -5 76.26 4.81 -10 -6 4 80.83 4.42 10 6 -4 82.24 2.93 10 -6 -4 79.16 3.27 10 -6 -4 77.88 3.84 -10 -6 4 73.60 2.90 10 6 -4 79.70 4.52 10 6 -4 80.07 4.51 10 -6 -4 79.57 4.82 10 6 -4 81.50 4.05 10 6 -3 194.32 6.73 -10 -6 3 200.23 7.62 10 6 -3 218.92 5.42 10 6 -3 205.93 7.70 -10 -6 3 208.23 5.09 10 -6 -3 203.94 6.81 10 -6 -3 201.88 8.17 10 6 -3 201.45 7.68 10 -6 -3 205.35 5.88 10 6 -2 10.09 1.34 10 -6 -2 12.27 1.50 -10 -6 2 10.53 1.25 10 6 -2 12.22 1.81 10 -6 -2 10.53 1.97 -10 6 2 8.99 1.55 -10 -6 2 8.81 1.65 10 -6 -2 8.75 1.09 -10 -6 1 66.52 4.05 -10 6 1 75.16 3.99 10 -6 -1 67.79 4.36 10 6 -1 73.37 3.21 10 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204.28 9.05 -16 -6 0 183.43 9.53 -16 -6 0 209.08 9.36 -16 6 -1 10.62 2.57 -16 -6 -1 8.00 2.41 -16 -6 -2 21.96 3.23 -16 6 -2 23.64 3.19 -16 -6 -3 41.00 4.27 -16 6 -3 42.98 4.35 -16 7 6 35.86 3.47 -16 7 5 91.70 5.53 -16 7 4 54.81 4.26 -16 -7 4 51.19 4.52 -16 7 3 8.16 2.23 -16 -7 3 8.53 2.39 -16 -7 2 24.30 3.75 -16 7 2 25.38 3.08 -16 -7 2 28.96 3.54 -16 -7 1 8.17 2.74 -16 7 1 8.95 2.37 -16 -7 1 8.29 2.17 -16 7 0 81.70 5.37 -16 -7 0 81.20 5.68 -16 7 -1 0.40 1.99 -16 -7 -1 4.79 1.98 -16 7 -2 93.53 6.07 -16 -7 -2 106.45 6.66 -16 -7 -3 107.48 6.79 -16 8 6 46.34 3.79 -16 8 5 3.63 1.58 -16 8 4 61.75 4.35 -16 -8 4 65.69 4.96 -16 8 3 11.22 2.20 -16 -8 3 12.34 2.60 -16 8 2 35.62 3.47 -16 -8 2 30.36 3.50 -16 8 1 5.41 1.88 -16 -8 1 4.87 1.88 -16 8 0 -0.37 1.66 -16 -8 0 -0.41 1.89 -16 8 -1 1.54 1.84 -16 -8 -1 -2.13 2.10 -16 -8 -2 1.76 1.75 -16 8 -2 2.41 1.95 -16 -8 -3 4.55 2.25 -16 9 5 1.56 1.67 -16 9 4 3.81 1.61 -16 -9 4 2.73 1.92 -16 9 3 32.46 3.17 -16 -9 3 35.02 3.61 -16 9 2 5.02 1.90 -16 -9 2 7.82 2.25 -16 9 1 -0.69 1.78 -16 -9 1 0.40 1.77 -16 9 0 36.80 3.59 -16 -9 0 33.64 3.78 -16 9 -1 5.22 2.12 -16 -9 -1 0.42 2.36 -16 -9 -2 -0.43 1.97 -16 -9 -3 37.94 4.02 -16 -9 -3 40.86 3.95 -16 10 4 26.64 2.82 -16 -10 4 29.39 3.51 -16 10 3 9.86 2.03 -16 -10 3 9.86 2.49 -16 10 2 9.56 2.08 -16 -10 2 7.62 2.22 -16 10 1 67.12 4.58 -16 -10 1 59.52 4.77 -16 10 0 211.95 8.72 -16 -10 0 191.07 8.80 -16 -10 -1 20.33 3.07 -16 -10 -2 57.37 4.72 -16 -10 -3 54.18 4.82 -16 -10 -3 60.76 4.79 -16 -10 -4 19.94 3.04 -16 -11 3 123.92 6.62 -16 -11 2 279.14 10.61 -16 11 2 260.82 9.61 -16 -11 1 21.77 3.14 -16 11 1 22.55 2.83 -16 -11 0 26.52 3.38 -16 11 0 18.77 2.75 -16 -11 -1 89.29 5.76 -16 -11 -2 5.33 2.22 -16 -11 -3 9.79 2.58 -16 -11 -3 11.85 2.64 -16 -12 3 52.96 4.25 -16 -12 2 3.96 2.13 -16 -12 1 8.72 2.33 -16 -12 0 24.97 3.33 -16 -12 -1 19.55 3.03 -16 -12 -2 11.91 2.63 -17 0 4 235.46 10.55 -17 0 3 1.39 2.12 -17 0 2 22.06 3.30 -17 0 1 -0.95 2.31 -17 0 0 162.45 8.74 -17 -1 4 114.15 7.11 -17 1 4 105.71 6.72 -17 -1 3 2.37 2.20 -17 1 3 5.89 2.14 -17 -1 2 8.10 2.62 -17 -1 2 6.22 2.63 -17 1 2 5.50 2.20 -17 -1 1 12.55 2.87 -17 1 1 15.35 3.09 -17 -1 1 12.60 2.91 -17 -1 0 60.68 5.26 -17 1 0 55.45 5.05 -17 1 -1 41.71 4.63 -17 2 5 52.39 4.74 -17 -2 4 1.45 1.87 -17 2 4 0.88 2.10 -17 -2 3 173.48 8.79 -17 2 3 148.96 8.08 -17 -2 2 -0.94 2.35 -17 -2 2 -1.47 2.15 -17 2 2 1.79 2.14 -17 -2 1 0.48 2.28 -17 2 1 -0.46 2.04 -17 -2 1 1.48 2.01 -17 2 0 21.34 3.29 -17 2 -1 19.03 3.34 -17 3 5 4.67 2.30 -17 3 4 36.27 3.97 -17 -3 3 23.43 3.49 -17 3 3 13.78 2.72 -17 -3 2 143.59 8.18 -17 -3 2 136.32 7.78 -17 3 2 142.12 7.65 -17 -3 1 1.41 2.14 -17 3 1 1.33 1.88 -17 -3 0 -0.48 1.98 -17 3 0 2.73 2.03 -17 3 -1 15.86 2.89 -17 4 6 -0.82 1.93 -17 4 5 8.63 2.26 -17 4 4 0.83 1.89 -17 -4 3 29.01 3.71 -17 4 3 29.67 3.53 -17 -4 2 142.93 7.78 -17 4 2 140.60 7.63 -17 -4 1 20.40 3.39 -17 4 1 15.58 3.13 -17 -4 0 1.41 2.26 -17 4 0 3.55 2.49 -17 4 -1 3.65 2.18 -17 4 -2 7.45 2.47 -17 5 6 43.61 4.15 -17 5 5 42.58 4.09 -17 5 4 23.65 3.11 -17 -5 3 0.45 2.10 -17 5 3 0.81 1.88 -17 -5 2 110.80 6.78 -17 5 2 108.48 6.52 -17 -5 1 9.56 2.59 -17 5 1 9.27 2.53 -17 -5 0 25.54 3.67 -17 5 0 16.89 3.22 -17 5 -1 0.44 1.84 -17 5 -2 0.91 2.08 -17 6 7 202.11 8.89 -17 6 6 1.14 1.91 -17 6 5 110.72 6.39 -17 6 4 17.37 2.76 -17 -6 3 85.15 5.89 -17 6 3 80.37 5.44 -17 -6 2 16.76 3.00 -17 6 2 14.79 2.83 -17 -6 1 124.01 7.22 -17 6 1 120.04 6.78 -17 -6 0 23.70 3.45 -17 6 0 29.52 3.50 -17 -6 -1 51.02 4.92 -17 6 -1 59.52 4.85 -17 6 -2 84.59 6.02 -17 7 6 1.46 1.69 -17 7 5 2.94 1.92 -17 -7 4 64.98 5.12 -17 7 4 59.04 4.63 -17 -7 3 43.51 4.38 -17 7 3 40.41 3.92 -17 -7 2 2.16 1.90 -17 7 2 3.48 2.14 -17 -7 1 13.18 2.79 -17 7 1 8.74 2.41 -17 -7 0 0.90 1.90 -17 7 0 1.22 1.95 -17 -7 -1 0.46 2.09 -17 7 -1 3.77 1.94 -17 7 -2 81.56 5.81 -17 8 5 4.55 1.85 -17 -8 4 96.42 6.18 -17 8 4 87.51 5.45 -17 -8 3 0.42 2.39 -17 8 3 -0.36 1.65 -17 -8 2 8.90 2.38 -17 8 2 7.44 2.23 -17 -8 1 6.45 2.36 -17 8 1 4.98 2.25 -17 -8 0 35.14 3.88 -17 8 0 28.69 3.64 -17 -8 -1 3.15 2.35 -17 8 -1 3.66 2.12 -17 8 -2 176.06 8.53 -17 -9 4 73.01 5.40 -17 -9 3 16.06 3.02 -17 9 3 19.06 2.73 -17 -9 2 12.03 2.54 -17 9 2 13.91 2.57 -17 -9 1 4.62 2.01 -17 9 1 4.39 1.86 -17 -9 0 5.58 2.41 -17 9 0 2.65 1.73 -17 -9 -1 50.96 4.71 -17 9 -1 47.66 4.28 -17 -10 4 6.47 2.25 -17 -10 3 197.01 8.95 -17 -10 2 2.02 1.94 -17 10 2 2.70 1.85 -17 -10 1 4.10 2.20 -17 10 1 7.70 2.12 -17 -10 0 15.49 2.83 -17 10 0 17.47 2.76 -17 -10 -1 30.02 3.63 -17 -11 3 99.71 6.13 -17 -11 2 11.43 2.62 -17 -11 1 180.72 8.48 -17 -11 0 43.15 4.28 -17 -11 -1 10.03 2.51 -18 3 4 3.60 2.38 -18 3 3 0.91 1.92 -18 3 2 34.58 3.91 -18 4 5 0.87 2.01 -18 4 4 39.34 4.03 -18 4 3 8.39 2.54 -18 4 2 -0.45 1.93 -18 4 1 6.40 2.54 -18 5 6 15.43 2.88 -18 5 5 55.32 4.79 -18 5 4 1.27 1.89 -18 5 3 0.86 1.85 -18 5 2 88.44 5.92 -18 5 1 8.90 2.64 -18 6 5 20.97 3.17 -18 6 4 1.22 1.98 -18 6 3 6.21 2.53 -18 6 2 2.53 1.79 -18 6 1 9.95 2.70 -18 7 4 45.52 4.15 -18 7 3 -1.60 2.34 -18 7 2 0.82 1.95 -18 7 1 18.43 2.99 -18 7 0 32.93 3.87 -18 8 3 2.68 1.95 -18 8 2 18.87 3.02 -18 8 1 2.81 1.95 -18 8 0 -0.83 1.64 -18 9 1 34.66 3.71 -18 9 0 0.40 1.65 0 0 0 0.00 0.00 TITL exp_1905 in P2(1)/c REM P2(1)/c (#14 in standard setting) CELL 0.71073 13.804010 21.414051 11.190583 90.0000 96.0562 90.0000 ZERR 4.00 0.000242 0.000377 0.000225 0.0000 0.0017 0.0000 LATT 1 SYMM -x, y+1/2,-z+1/2 SFAC C H B Si S UNIT 140.00 148.00 4.00 4.00 16.00 REM CrysAlisPro recorded range (K): Min=100.0; max=100.0; aver:100.0 TEMP -173 SIZE 0.07 0.13 0.17 TREF HKLF 4 END _computing_structure_solution 'SHELXT 2018/2 (Sheldrick, 2018)' ; _shelx_hkl_checksum 11855 _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 ; _oxdiff_exptl_absorpt_empirical_full_max 1.107 _oxdiff_exptl_absorpt_empirical_full_min 0.939 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y-1/2, z-1/2' 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 S1 S 0.34555(2) 0.76252(2) 0.81943(3) 0.01494(8) Uani 1 1 d . . . . . S2 S 0.43807(2) 0.51667(2) 0.70208(3) 0.01938(8) Uani 1 1 d . . . . . S3 S 0.74265(2) 0.87387(2) 0.56795(3) 0.01975(8) Uani 1 1 d . . . . . S4 S 0.86297(2) 0.61986(2) 0.48622(3) 0.01535(8) Uani 1 1 d . . . . . Si1 Si 0.84372(3) 0.74164(2) 0.65678(3) 0.01540(9) Uani 1 1 d . . . . . C1 C -0.08735(10) 0.54429(7) 0.81077(14) 0.0242(3) Uani 1 1 d . . . . . H1A H -0.146015 0.518540 0.811099 0.036 Uiso 1 1 calc R U . . . H1B H -0.104336 0.584108 0.770759 0.036 Uiso 1 1 calc R U . . . H1C H -0.059648 0.552165 0.893663 0.036 Uiso 1 1 calc R U . . . C2 C -0.01259(9) 0.51006(6) 0.74337(12) 0.0159(3) Uani 1 1 d . . . . . H2 H -0.042183 0.504063 0.658673 0.019 Uiso 1 1 calc R U . . . C3 C 0.00864(10) 0.44519(7) 0.79738(14) 0.0219(3) Uani 1 1 d . . . . . H3A H 0.036518 0.449434 0.881218 0.033 Uiso 1 1 calc R U . . . H3B H 0.055031 0.423419 0.751503 0.033 Uiso 1 1 calc R U . . . H3C H -0.052038 0.421193 0.793993 0.033 Uiso 1 1 calc R U . . . C4 C 0.08032(9) 0.54770(6) 0.73907(12) 0.0140(3) Uani 1 1 d . . . . . C5 C 0.14251(9) 0.56030(6) 0.84240(12) 0.0169(3) Uani 1 1 d . . . . . H5 H 0.125003 0.546538 0.917922 0.020 Uiso 1 1 calc R U . . . C6 C 0.22982(9) 0.59258(6) 0.83807(12) 0.0156(3) Uani 1 1 d . . . . . C7 C 0.25616(9) 0.61384(6) 0.72675(12) 0.0126(2) Uani 1 1 d . . . . . C8 C 0.19210(9) 0.60362(6) 0.62246(12) 0.0131(2) Uani 1 1 d . . . . . C9 C 0.10593(9) 0.57037(6) 0.63017(12) 0.0142(3) Uani 1 1 d . . . . . H9 H 0.063573 0.563022 0.559006 0.017 Uiso 1 1 calc R U . . . C10 C 0.29658(10) 0.60395(7) 0.95288(13) 0.0221(3) Uani 1 1 d . . . . . H10 H 0.353661 0.628406 0.930435 0.026 Uiso 1 1 calc R U . . . C11 C 0.33618(12) 0.54286(8) 1.00935(15) 0.0324(4) Uani 1 1 d . . . . . H11A H 0.282500 0.518630 1.036772 0.049 Uiso 1 1 calc R U . . . H11B H 0.384207 0.552121 1.077917 0.049 Uiso 1 1 calc R U . . . H11C H 0.367214 0.518656 0.949548 0.049 Uiso 1 1 calc R U . . . C12 C 0.24733(14) 0.64317(9) 1.04271(15) 0.0367(4) Uani 1 1 d . . . . . H12A H 0.223932 0.682314 1.004537 0.055 Uiso 1 1 calc R U . . . H12B H 0.294242 0.652440 1.112402 0.055 Uiso 1 1 calc R U . . . H12C H 0.192153 0.619973 1.068961 0.055 Uiso 1 1 calc R U . . . C13 C 0.21699(9) 0.62750(6) 0.50119(12) 0.0150(3) Uani 1 1 d . . . . . H13 H 0.276057 0.654552 0.516418 0.018 Uiso 1 1 calc R U . . . C14 C 0.13531(10) 0.66784(7) 0.43841(13) 0.0225(3) Uani 1 1 d . . . . . H14A H 0.075555 0.642996 0.424535 0.034 Uiso 1 1 calc R U . . . H14B H 0.154263 0.682545 0.361280 0.034 Uiso 1 1 calc R U . . . H14C H 0.123818 0.703788 0.489242 0.034 Uiso 1 1 calc R U . . . C15 C 0.24283(10) 0.57393(7) 0.42041(13) 0.0219(3) Uani 1 1 d . . . . . H15A H 0.299373 0.551344 0.459243 0.033 Uiso 1 1 calc R U . . . H15B H 0.258378 0.590694 0.343219 0.033 Uiso 1 1 calc R U . . . H15C H 0.187318 0.545335 0.406904 0.033 Uiso 1 1 calc R U . . . C16 C 0.40088(9) 0.70664(6) 0.73933(11) 0.0121(2) Uani 1 1 d . . . . . C17 C 0.49437(9) 0.72546(6) 0.71896(11) 0.0120(2) Uani 1 1 d . . . . . C18 C 0.55957(8) 0.68285(6) 0.65926(11) 0.0116(2) Uani 1 1 d . . . . . C19 C 0.53843(9) 0.61561(6) 0.67327(12) 0.0129(2) Uani 1 1 d . . . . . C20 C 0.44419(9) 0.59676(6) 0.68884(12) 0.0143(3) Uani 1 1 d . . . . . C21 C 0.44600(9) 0.80969(6) 0.82856(12) 0.0160(3) Uani 1 1 d . . . . . H21 H 0.450247 0.848694 0.869221 0.019 Uiso 1 1 calc R U . . . C22 C 0.51936(9) 0.78496(6) 0.77081(12) 0.0144(3) Uani 1 1 d . . . . . H22 H 0.580141 0.805062 0.765697 0.017 Uiso 1 1 calc R U . . . C23 C 0.56004(10) 0.50853(6) 0.69175(13) 0.0195(3) Uani 1 1 d . . . . . H23 H 0.592982 0.469514 0.695819 0.023 Uiso 1 1 calc R U . . . C24 C 0.60470(9) 0.56430(6) 0.67703(12) 0.0161(3) Uani 1 1 d . . . . . H24 H 0.672374 0.568571 0.670048 0.019 Uiso 1 1 calc R U . . . C25 C 0.63056(9) 0.70402(6) 0.59386(12) 0.0127(2) Uani 1 1 d . . . . . C26 C 0.64977(9) 0.77146(6) 0.57466(12) 0.0141(3) Uani 1 1 d . . . . . C27 C 0.74213(9) 0.79569(6) 0.60279(12) 0.0152(3) Uani 1 1 d . . . . . C28 C 0.70079(9) 0.66272(6) 0.53858(11) 0.0125(2) Uani 1 1 d . . . . . C29 C 0.79965(9) 0.67285(6) 0.56337(12) 0.0136(2) Uani 1 1 d . . . . . C30 C 0.58106(10) 0.81598(6) 0.52265(13) 0.0175(3) Uani 1 1 d . . . . . H30 H 0.514704 0.806654 0.497794 0.021 Uiso 1 1 calc R U . . . C31 C 0.62166(10) 0.87341(6) 0.51275(14) 0.0214(3) Uani 1 1 d . . . . . H31 H 0.587355 0.908869 0.479445 0.026 Uiso 1 1 calc R U . . . C32 C 0.67781(9) 0.61335(6) 0.45486(12) 0.0142(3) Uani 1 1 d . . . . . H32 H 0.613185 0.600928 0.427528 0.017 Uiso 1 1 calc R U . . . C33 C 0.75869(9) 0.58599(6) 0.41845(12) 0.0154(3) Uani 1 1 d . . . . . H33 H 0.757549 0.552465 0.362710 0.019 Uiso 1 1 calc R U . . . C34 C 0.96728(10) 0.76898(7) 0.63083(16) 0.0264(3) Uani 1 1 d . . . . . H34A H 0.968354 0.779546 0.545777 0.040 Uiso 1 1 calc R U . . . H34B H 1.014742 0.735808 0.652849 0.040 Uiso 1 1 calc R U . . . H34C H 0.984022 0.806018 0.680163 0.040 Uiso 1 1 calc R U . . . C35 C 0.83707(14) 0.72293(8) 0.81741(14) 0.0320(4) Uani 1 1 d . . . . . H35A H 0.846656 0.761138 0.865406 0.048 Uiso 1 1 calc R U . . . H35B H 0.887981 0.692644 0.844283 0.048 Uiso 1 1 calc R U . . . H35C H 0.773042 0.705111 0.827490 0.048 Uiso 1 1 calc R U . . . B1 B 0.36131(10) 0.64051(7) 0.71502(13) 0.0130(3) Uani 1 1 d . . . . . 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 S1 0.01310(15) 0.01316(15) 0.01922(18) -0.00181(12) 0.00484(12) 0.00162(11) S2 0.02027(17) 0.01019(15) 0.0284(2) -0.00190(13) 0.00601(14) -0.00281(12) S3 0.02226(17) 0.01207(16) 0.02521(19) 0.00056(13) 0.00386(13) -0.00390(12) S4 0.01276(15) 0.01614(16) 0.01740(17) -0.00219(13) 0.00272(12) 0.00237(11) Si1 0.01667(18) 0.01477(18) 0.01437(19) -0.00258(14) -0.00019(14) -0.00085(13) C1 0.0178(7) 0.0274(8) 0.0286(8) 0.0004(6) 0.0079(6) -0.0019(5) C2 0.0137(6) 0.0200(7) 0.0141(7) 0.0017(5) 0.0019(5) -0.0046(5) C3 0.0195(7) 0.0200(7) 0.0260(8) 0.0030(6) 0.0025(6) -0.0053(5) C4 0.0129(6) 0.0143(6) 0.0151(7) -0.0001(5) 0.0028(5) -0.0016(5) C5 0.0193(6) 0.0186(7) 0.0129(7) 0.0012(5) 0.0033(5) -0.0036(5) C6 0.0165(6) 0.0149(6) 0.0151(7) -0.0006(5) 0.0000(5) -0.0023(5) C7 0.0120(6) 0.0113(6) 0.0144(6) -0.0013(5) 0.0013(5) -0.0004(4) C8 0.0115(6) 0.0135(6) 0.0145(6) 0.0004(5) 0.0022(5) 0.0004(4) C9 0.0112(6) 0.0171(6) 0.0141(6) -0.0003(5) 0.0002(5) -0.0012(5) C10 0.0248(7) 0.0253(7) 0.0151(7) 0.0029(6) -0.0027(5) -0.0113(6) C11 0.0340(9) 0.0355(9) 0.0250(9) 0.0110(7) -0.0099(7) -0.0070(7) C12 0.0508(11) 0.0395(10) 0.0194(8) -0.0095(7) 0.0015(7) -0.0125(8) C13 0.0104(6) 0.0206(7) 0.0142(7) 0.0019(5) 0.0018(5) -0.0036(5) C14 0.0175(7) 0.0292(8) 0.0210(8) 0.0100(6) 0.0035(5) 0.0007(5) C15 0.0212(7) 0.0287(8) 0.0167(7) -0.0005(6) 0.0066(5) -0.0004(6) C16 0.0119(6) 0.0123(6) 0.0120(6) -0.0002(5) 0.0010(4) 0.0024(4) C17 0.0115(6) 0.0119(6) 0.0123(6) 0.0000(5) 0.0003(4) 0.0003(4) C18 0.0108(6) 0.0106(6) 0.0132(6) -0.0016(5) -0.0004(4) 0.0000(4) C19 0.0140(6) 0.0125(6) 0.0121(6) -0.0012(5) 0.0013(5) -0.0003(4) C20 0.0155(6) 0.0109(6) 0.0163(7) -0.0013(5) 0.0005(5) -0.0025(5) C21 0.0188(6) 0.0117(6) 0.0178(7) -0.0025(5) 0.0030(5) -0.0013(5) C22 0.0154(6) 0.0122(6) 0.0157(7) -0.0009(5) 0.0024(5) -0.0020(5) C23 0.0226(7) 0.0140(6) 0.0230(8) 0.0005(6) 0.0075(6) 0.0045(5) C24 0.0169(6) 0.0149(6) 0.0169(7) 0.0010(5) 0.0044(5) 0.0026(5) C25 0.0124(6) 0.0117(6) 0.0137(6) -0.0023(5) -0.0001(5) 0.0003(4) C26 0.0169(6) 0.0129(6) 0.0135(6) -0.0012(5) 0.0058(5) -0.0003(5) C27 0.0179(6) 0.0121(6) 0.0165(7) -0.0009(5) 0.0057(5) -0.0019(5) C28 0.0143(6) 0.0112(6) 0.0123(6) 0.0013(5) 0.0031(5) 0.0001(4) C29 0.0147(6) 0.0136(6) 0.0129(6) -0.0006(5) 0.0031(5) 0.0009(5) C30 0.0178(6) 0.0162(6) 0.0186(7) -0.0009(5) 0.0025(5) 0.0008(5) C31 0.0248(7) 0.0144(7) 0.0246(8) 0.0025(6) 0.0019(6) 0.0030(5) C32 0.0134(6) 0.0131(6) 0.0159(7) -0.0009(5) 0.0007(5) -0.0007(4) C33 0.0183(6) 0.0132(6) 0.0148(7) -0.0016(5) 0.0020(5) 0.0004(5) C34 0.0167(7) 0.0255(8) 0.0359(9) -0.0077(7) -0.0025(6) -0.0027(6) C35 0.0559(11) 0.0240(8) 0.0154(8) -0.0027(6) 0.0004(7) 0.0046(7) B1 0.0127(6) 0.0155(7) 0.0105(7) -0.0001(5) -0.0001(5) -0.0009(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' B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Si Si 0.0817 0.0704 '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 0 -2 1 0.0432 0 2 -1 0.0265 2 -1 1 0.0819 -2 1 -1 0.0752 0 -1 0 0.0596 0 1 0 0.0411 1 0 0 0.0828 -1 0 0 0.0697 1 -2 -2 0.0404 -1 2 2 0.0797 11 19 7 0.0800 -13 -13 10 0.0586 12 11 -12 0.0621 2 3 15 0.0704 -14 9 11 0.0726 0 1 16 0.0574 11 1 12 0.0799 12 24 -2 0.0696 loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle_publ_flag C21 S1 C16 92.31(6) . . ? C23 S2 C20 92.18(6) . . ? C31 S3 C27 92.80(7) . . ? C33 S4 C29 93.08(6) . . ? C27 Si1 C29 96.80(6) . . ? C34 Si1 C27 115.15(7) . . ? C34 Si1 C29 114.28(6) . . ? C35 Si1 C27 109.59(7) . . ? C35 Si1 C29 108.98(7) . . ? C35 Si1 C34 111.13(8) . . ? C1 C2 C3 110.58(11) . . ? C4 C2 C1 112.17(11) . . ? C4 C2 C3 111.51(11) . . ? C5 C4 C2 121.67(12) . . ? C9 C4 C2 120.39(12) . . ? C9 C4 C5 117.94(12) . . ? C4 C5 C6 121.78(12) . . ? C5 C6 C7 119.69(12) . . ? C5 C6 C10 119.95(12) . . ? C7 C6 C10 120.36(11) . . ? C6 C7 B1 121.05(11) . . ? C8 C7 C6 119.04(11) . . ? C8 C7 B1 119.41(11) . . ? C7 C8 C13 120.43(11) . . ? C9 C8 C7 119.57(12) . . ? C9 C8 C13 119.99(11) . . ? C4 C9 C8 121.91(12) . . ? C6 C10 C11 111.77(12) . . ? C6 C10 C12 111.90(13) . . ? C12 C10 C11 111.34(13) . . ? C8 C13 C14 111.95(10) . . ? C8 C13 C15 111.36(11) . . ? C15 C13 C14 111.05(12) . . ? C17 C16 S1 110.70(9) . . ? C17 C16 B1 123.87(11) . . ? B1 C16 S1 124.45(9) . . ? C16 C17 C18 120.69(11) . . ? C16 C17 C22 112.33(11) . . ? C22 C17 C18 126.73(11) . . ? C19 C18 C17 114.41(11) . . ? C25 C18 C17 122.74(11) . . ? C25 C18 C19 122.81(11) . . ? C20 C19 C18 119.54(11) . . ? C20 C19 C24 112.20(11) . . ? C24 C19 C18 128.23(11) . . ? C19 C20 S2 110.77(9) . . ? C19 C20 B1 125.04(11) . . ? B1 C20 S2 123.23(10) . . ? C22 C21 S1 112.35(10) . . ? C21 C22 C17 112.29(11) . . ? C24 C23 S2 112.37(10) . . ? C23 C24 C19 112.44(12) . . ? C18 C25 C26 123.38(11) . . ? C18 C25 C28 124.13(11) . . ? C26 C25 C28 112.43(10) . . ? C27 C26 C25 120.38(11) . . ? C27 C26 C30 113.59(12) . . ? C30 C26 C25 125.95(12) . . ? S3 C27 Si1 130.96(8) . . ? C26 C27 S3 109.86(10) . . ? C26 C27 Si1 118.94(10) . . ? C29 C28 C25 119.65(11) . . ? C29 C28 C32 113.27(11) . . ? C32 C28 C25 127.01(11) . . ? S4 C29 Si1 130.38(7) . . ? C28 C29 S4 109.85(10) . . ? C28 C29 Si1 119.49(9) . . ? C31 C30 C26 112.07(12) . . ? C30 C31 S3 111.64(11) . . ? C33 C32 C28 112.54(11) . . ? C32 C33 S4 111.24(10) . . ? C16 B1 C7 129.32(12) . . ? C20 B1 C7 120.45(11) . . ? C20 B1 C16 109.89(11) . . ? loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag S1 C16 1.7213(13) . ? S1 C21 1.7098(13) . ? S2 C20 1.7241(13) . ? S2 C23 1.7087(14) . ? S3 C27 1.7190(13) . ? S3 C31 1.7185(15) . ? S4 C29 1.7193(13) . ? S4 C33 1.7156(13) . ? Si1 C27 1.8688(14) . ? Si1 C29 1.8705(13) . ? Si1 C34 1.8549(15) . ? Si1 C35 1.8534(16) . ? C1 C2 1.5282(19) . ? C2 C3 1.5308(19) . ? C2 C4 1.5198(17) . ? C4 C5 1.3920(18) . ? C4 C9 1.3917(18) . ? C5 C6 1.3947(18) . ? C6 C7 1.4096(18) . ? C6 C10 1.5197(19) . ? C7 C8 1.4050(18) . ? C7 B1 1.5781(18) . ? C8 C9 1.3969(17) . ? C8 C13 1.5230(18) . ? C10 C11 1.529(2) . ? C10 C12 1.524(2) . ? C13 C14 1.5310(18) . ? C13 C15 1.5259(19) . ? C16 C17 1.3936(17) . ? C16 B1 1.5317(19) . ? C17 C18 1.4886(17) . ? C17 C22 1.4273(17) . ? C18 C19 1.4807(17) . ? C18 C25 1.3611(18) . ? C19 C20 1.3905(17) . ? C19 C24 1.4276(17) . ? C20 B1 1.5309(19) . ? C21 C22 1.3644(18) . ? C23 C24 1.3619(19) . ? C25 C26 1.4881(17) . ? C25 C28 1.4937(17) . ? C26 C27 1.3818(18) . ? C26 C30 1.4250(18) . ? C28 C29 1.3808(17) . ? C28 C32 1.4260(18) . ? C30 C31 1.3609(19) . ? C32 C33 1.3608(18) . ? 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 -0.0001 -1.9986 0.9995 0.0865 0.0255 -0.0177 0.0001 1.9986 -0.9995 -0.0865 -0.0255 0.0177 1.9989 -1.0001 0.9996 0.0760 0.0704 0.0806 -1.9989 1.0001 -0.9996 -0.0760 -0.0704 -0.0806 0.0000 -0.9994 -0.0000 0.0148 0.0221 -0.0197 -0.0000 0.9994 0.0000 -0.0148 -0.0221 0.0197 0.9995 -0.0004 0.0000 0.0021 0.0335 0.0393 -0.9995 0.0004 -0.0000 -0.0021 -0.0335 -0.0393 1.0001 -1.9995 -1.9991 -0.0821 0.1152 -0.0434 -1.0001 1.9995 1.9991 0.0821 -0.1152 0.0434 11.4029 19.0185 7.0221 0.1430 -0.1708 0.9749 -13.4394 -13.0033 10.2596 0.7477 -0.3541 -0.5617 12.1764 11.0434 -11.8468 -0.8118 0.3850 0.4391 1.6379 2.8688 15.4215 0.8392 -0.2974 0.4553 -13.6647 9.2446 11.2544 0.4749 -0.8730 -0.1111 -0.1444 0.5746 15.6973 0.8850 -0.3114 0.3461 11.1179 0.8495 11.9162 0.6898 0.1304 0.7122 12.1247 23.5645 -1.8214 -0.4262 -0.0818 0.9009