#------------------------------------------------------------------------------ #$Date: 2019-11-10 18:59:49 +0200 (Sun, 10 Nov 2019) $ #$Revision: 225974 $ #$URL: file:///home/coder/svn-repositories/cod/cif/4/51/58/4515882.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_4515882 loop_ _publ_author_name 'Nomura, Eisaku' 'Noda, Takumi' 'Gomi, Daiki' 'Mori, Hajime' _publ_section_title ; Substituent Effect on the Formation of Arylindanes by Dimerization of Ferulic Acid and its Related Compounds. ; _journal_issue 10 _journal_name_full 'ACS omega' _journal_page_first 12746 _journal_page_last 12753 _journal_paper_doi 10.1021/acsomega.8b01953 _journal_volume 3 _journal_year 2018 _chemical_formula_sum 'C24 H28 O8' _chemical_formula_weight 444.46 _chemical_name_common 3C(alpha) _space_group_crystal_system triclinic _space_group_IT_number 2 _space_group_name_Hall '-P 1' _space_group_name_H-M_alt 'P -1' _atom_sites_solution_hydrogens geom _audit_creation_method SHELXL-2013 _cell_angle_alpha 59.9870(10) _cell_angle_beta 80.1470(10) _cell_angle_gamma 88.8940(10) _cell_formula_units_Z 2 _cell_length_a 10.60195(19) _cell_length_b 10.75301(19) _cell_length_c 11.3032(2) _cell_measurement_reflns_used 8408 _cell_measurement_temperature 123(2) _cell_measurement_theta_max 68.13 _cell_measurement_theta_min 4.25 _cell_volume 1096.03(4) _computing_structure_refinement 'SHELXL-2013 (Sheldrick, 2013)' _diffrn_ambient_temperature 123(2) _diffrn_detector_area_resol_mean 10.000 _diffrn_measured_fraction_theta_full 0.976 _diffrn_measured_fraction_theta_max 0.974 _diffrn_measurement_device_type 'Rigaku R-AXIS RAPID' _diffrn_radiation_type CuK\a _diffrn_radiation_wavelength 1.54187 _diffrn_reflns_av_R_equivalents 0.0584 _diffrn_reflns_av_unetI/netI 0.0651 _diffrn_reflns_Laue_measured_fraction_full 0.976 _diffrn_reflns_Laue_measured_fraction_max 0.974 _diffrn_reflns_limit_h_max 12 _diffrn_reflns_limit_h_min -12 _diffrn_reflns_limit_k_max 12 _diffrn_reflns_limit_k_min -12 _diffrn_reflns_limit_l_max 13 _diffrn_reflns_limit_l_min -13 _diffrn_reflns_number 11257 _diffrn_reflns_point_group_measured_fraction_full 0.976 _diffrn_reflns_point_group_measured_fraction_max 0.974 _diffrn_reflns_theta_full 67.687 _diffrn_reflns_theta_max 68.195 _diffrn_reflns_theta_min 4.245 _exptl_absorpt_coefficient_mu 0.841 _exptl_absorpt_correction_T_max 0.845 _exptl_absorpt_correction_T_min 0.605 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details 'ABSCOR (Rigaku, 1995)' _exptl_crystal_colour colorless _exptl_crystal_density_diffrn 1.347 _exptl_crystal_description prism _exptl_crystal_F_000 472 _exptl_crystal_size_max 0.400 _exptl_crystal_size_mid 0.300 _exptl_crystal_size_min 0.200 _refine_diff_density_max 0.954 _refine_diff_density_min -0.389 _refine_diff_density_rms 0.068 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.068 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 289 _refine_ls_number_reflns 3901 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 1.068 _refine_ls_R_factor_all 0.0926 _refine_ls_R_factor_gt 0.0759 _refine_ls_shift/su_max 0.000 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0758P)^2^+1.7079P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.1905 _refine_ls_wR_factor_ref 0.2000 _reflns_Friedel_coverage 0.000 _reflns_number_gt 3028 _reflns_number_total 3901 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file ao8b01953_si_003.cif _cod_data_source_block shelxl _cod_database_code 4515882 _shelx_space_group_comment ; The symmetry employed for this shelxl refinement is uniquely defined by the following loop, which should always be used as a source of symmetry information in preference to the above space-group names. They are only intended as comments. ; _shelx_estimated_absorpt_t_min 0.730 _shelx_estimated_absorpt_t_max 0.850 _shelxl_version_number 2013-4 _shelx_res_file ; TITL isoFA2 CELL 1.54187 10.60195 10.75301 11.30315 59.987 80.147 88.894 ZERR 2 0.00019 0.00019 0.00021 0.001 0.001 0.001 LATT 1 SFAC C H O UNIT 48 56 16 SHEL 99999.000000 0.000000 L.S. 5 FMAP 2 PLAN -40 WPDB -2 HTAB BOND $H CONF LIST 4 TEMP -150.0 ACTA SIZE 0.400 0.300 0.200 WGHT 0.075800 1.707900 FVAR 0.92428 O1 3 0.693274 0.983216 -0.108468 11.00000 0.03608 0.03047 = 0.03431 -0.00777 -0.01183 -0.00367 O2 3 0.808865 0.894656 0.105260 11.00000 0.02917 0.02821 = 0.03653 -0.01214 -0.01125 -0.00073 AFIX 83 H2 2 0.818962 0.970784 0.027490 11.00000 -1.20000 AFIX 0 O3 3 -0.019754 0.795317 -0.067898 11.00000 0.03415 0.04811 = 0.04224 -0.02632 -0.01769 0.01371 O4 3 0.065244 0.833508 0.122698 11.00000 0.02914 0.03620 = 0.05156 -0.02843 -0.01694 0.01151 AFIX 83 H4A 2 0.002579 0.865930 0.082463 11.00000 -1.20000 AFIX 0 O5 3 0.719431 0.390358 0.515286 11.00000 0.06706 0.04358 = 0.03609 -0.02036 -0.00722 -0.00317 O6 3 0.812245 0.258704 0.425908 11.00000 0.04580 0.05023 = 0.05716 -0.02711 -0.00717 0.01389 O7 3 0.349625 0.202782 0.324741 11.00000 0.06955 0.03497 = 0.04185 -0.02134 -0.00024 -0.00778 O8 3 0.278604 0.221962 0.513496 11.00000 0.04622 0.03216 = 0.03611 -0.01451 -0.00045 -0.00774 C1 1 0.551399 0.760980 0.008564 11.00000 0.02687 0.03039 = 0.02934 -0.01422 -0.00793 0.00484 AFIX 43 H1 2 0.508712 0.790321 -0.067651 11.00000 -1.20000 AFIX 0 C2 1 0.649397 0.849172 0.001184 11.00000 0.02595 0.02620 = 0.03062 -0.01308 -0.00482 0.00464 C3 1 0.712226 0.804677 0.114217 11.00000 0.02319 0.02817 = 0.03372 -0.01523 -0.00783 0.00272 C4 1 0.674873 0.675200 0.235416 11.00000 0.03453 0.03315 = 0.03882 -0.01320 -0.01491 0.00166 AFIX 43 H4 2 0.716235 0.646563 0.312449 11.00000 -1.20000 AFIX 0 C5 1 0.575617 0.587065 0.243191 11.00000 0.03445 0.02914 = 0.03761 -0.01107 -0.01197 0.00047 C6 1 0.516984 0.440385 0.364405 11.00000 0.04436 0.03290 = 0.04058 -0.01210 -0.01484 -0.00095 AFIX 13 H6 2 0.496853 0.445090 0.451738 11.00000 -1.20000 AFIX 0 C7 1 0.390127 0.426273 0.319373 11.00000 0.03310 0.02810 = 0.03151 -0.01311 -0.00969 -0.00009 AFIX 13 H7 2 0.324497 0.473203 0.355425 11.00000 -1.20000 AFIX 0 C8 1 0.412028 0.517017 0.158800 11.00000 0.02546 0.02600 = 0.03212 -0.01517 -0.00703 0.00338 AFIX 13 H8 2 0.447075 0.455978 0.119001 11.00000 -1.20000 AFIX 0 C9 1 0.516776 0.629376 0.128923 11.00000 0.02382 0.02567 = 0.03437 -0.01551 -0.00740 0.00431 C10 1 0.293332 0.582625 0.100369 11.00000 0.02600 0.02409 = 0.02991 -0.01012 -0.00617 -0.00100 C11 1 0.229071 0.676243 0.137830 11.00000 0.02894 0.02816 = 0.03498 -0.01726 -0.00953 0.00027 AFIX 43 H11 2 0.258556 0.695212 0.202451 11.00000 -1.20000 AFIX 0 C12 1 0.123901 0.741280 0.082643 11.00000 0.02753 0.02519 = 0.03653 -0.01433 -0.00720 -0.00009 C13 1 0.081101 0.718159 -0.015781 11.00000 0.02598 0.03063 = 0.03530 -0.01438 -0.00808 0.00234 C14 1 0.142412 0.623961 -0.052462 11.00000 0.02907 0.03765 = 0.03292 -0.01939 -0.00861 0.00097 AFIX 43 H14 2 0.112540 0.605055 -0.116940 11.00000 -1.20000 AFIX 0 C15 1 0.248321 0.556731 0.005522 11.00000 0.02683 0.02993 = 0.03384 -0.01709 -0.00452 -0.00017 AFIX 43 H15 2 0.290017 0.492535 -0.020281 11.00000 -1.20000 AFIX 0 C16 1 0.606256 0.324131 0.383717 11.00000 0.03896 0.03706 = 0.04711 -0.01897 -0.01004 0.00176 AFIX 23 H16A 2 0.639932 0.333423 0.292151 11.00000 -1.20000 H16B 2 0.557339 0.229070 0.443563 11.00000 -1.20000 AFIX 0 C17 1 0.718050 0.329887 0.448627 11.00000 0.03718 0.03177 = 0.02740 -0.01492 -0.00755 0.00510 C18 1 0.925908 0.259481 0.493045 11.00000 0.04581 0.07705 = 0.07007 -0.03518 -0.02405 0.01678 AFIX 23 H18A 2 0.894046 0.248190 0.585753 11.00000 -1.20000 H18B 2 0.978216 0.178017 0.505328 11.00000 -1.20000 AFIX 0 C19 1 1.007732 0.401215 0.400170 11.00000 0.04164 0.09246 = 0.06853 -0.04513 -0.00612 -0.00134 AFIX 33 H19A 2 1.048280 0.405985 0.313158 11.00000 -1.20000 H19B 2 1.074274 0.407272 0.447914 11.00000 -1.20000 H19C 2 0.953332 0.481655 0.379632 11.00000 -1.20000 AFIX 0 C20 1 0.338406 0.272420 0.380965 11.00000 0.02721 0.03391 = 0.03474 -0.01654 -0.00836 0.00224 C21 1 0.231250 0.070219 0.595503 11.00000 0.04826 0.03457 = 0.03844 -0.01150 -0.00310 -0.01255 AFIX 23 H21A 2 0.211613 0.036615 0.533075 11.00000 -1.20000 H21B 2 0.151114 0.058441 0.660923 11.00000 -1.20000 AFIX 0 C22 1 0.330010 -0.018236 0.675094 11.00000 0.05248 0.03401 = 0.04517 -0.01785 -0.00327 -0.00122 AFIX 33 H22A 2 0.400138 -0.026743 0.611340 11.00000 -1.20000 H22B 2 0.290621 -0.114396 0.746289 11.00000 -1.20000 H22C 2 0.363964 0.028490 0.719789 11.00000 -1.20000 AFIX 0 C23 1 0.614986 1.049645 -0.211469 11.00000 0.04509 0.02872 = 0.03170 -0.00902 -0.01367 -0.00091 AFIX 33 H23A 2 0.616826 0.998070 -0.262707 11.00000 -1.20000 H23B 2 0.647788 1.150154 -0.276104 11.00000 -1.20000 H23C 2 0.526504 1.046400 -0.166436 11.00000 -1.20000 AFIX 0 C24 1 -0.058597 0.792254 -0.181651 11.00000 0.03405 0.04506 = 0.03691 -0.01865 -0.01406 0.00477 AFIX 33 H24A 2 0.016981 0.811313 -0.253477 11.00000 -1.20000 H24B 2 -0.118848 0.866139 -0.220767 11.00000 -1.20000 H24C 2 -0.100522 0.697211 -0.148607 11.00000 -1.20000 AFIX 0 HKLF 4 REM isoFA2 REM R1 = 0.0759 for 3028 Fo > 4sig(Fo) and 0.0926 for all 3901 data REM 289 parameters refined using 0 restraints END WGHT 0.0758 1.7084 REM Instructions for potential hydrogen bonds HTAB O2 O1 EQIV $1 -x+1, -y+2, -z HTAB O2 O4_$1 EQIV $2 x-1, y, z HTAB O4 O2_$2 HTAB O4 O3 HTAB C4 O5 EQIV $3 -x+1, -y+1, -z+1 HTAB C7 O5_$3 HTAB C19 O5 EQIV $4 -x+1, -y+1, -z HTAB C23 O7_$4 EQIV $5 x, y+1, z-1 HTAB C23 O5_$5 REM Highest difference peak 0.954, deepest hole -0.389, 1-sigma level 0.068 Q1 1 0.8021 0.3454 0.5319 11.00000 0.05 0.95 Q2 1 0.5840 0.3489 0.4701 11.00000 0.05 0.81 Q3 1 0.5601 0.4181 0.2977 11.00000 0.05 0.74 Q4 1 0.9184 0.3307 0.5272 11.00000 0.05 0.71 Q5 1 0.7104 0.6434 0.1914 11.00000 0.05 0.42 Q6 1 0.8399 0.3637 0.3473 11.00000 0.05 0.37 Q7 1 0.6093 0.5626 0.1902 11.00000 0.05 0.31 Q8 1 0.7641 0.2476 0.3783 11.00000 0.05 0.25 Q9 1 0.5915 0.4287 0.5034 11.00000 0.05 0.21 Q10 1 -0.1587 0.8281 -0.1685 11.00000 0.05 0.20 Q11 1 0.3649 0.3622 0.3485 11.00000 0.05 0.20 Q12 1 0.5004 0.7557 0.0901 11.00000 0.05 0.20 Q13 1 0.5059 0.2382 0.5411 11.00000 0.05 0.20 Q14 1 0.7272 0.7991 0.0498 11.00000 0.05 0.20 Q15 1 0.6435 0.9901 -0.0375 11.00000 0.05 0.19 Q16 1 0.9625 0.3436 0.6096 11.00000 0.05 0.19 Q17 1 0.3883 0.4593 0.2440 11.00000 0.05 0.19 Q18 1 0.8233 0.9328 -0.1216 11.00000 0.05 0.18 Q19 1 0.3389 0.1804 0.5026 11.00000 0.05 0.18 Q20 1 0.8798 0.2622 0.3109 11.00000 0.05 0.18 Q21 1 0.4033 0.2220 0.2414 11.00000 0.05 0.18 Q22 1 0.2438 0.5972 0.1615 11.00000 0.05 0.18 Q23 1 0.6224 1.2188 -0.2550 11.00000 0.05 0.17 Q24 1 0.1683 0.0801 0.7068 11.00000 0.05 0.17 Q25 1 0.5888 0.2951 0.2058 11.00000 0.05 0.17 Q26 1 0.7513 0.8775 0.2005 11.00000 0.05 0.17 Q27 1 0.9422 0.3710 0.3900 11.00000 0.05 0.16 Q28 1 0.5748 0.3742 0.2244 11.00000 0.05 0.16 Q29 1 0.9707 0.2161 0.5785 11.00000 0.05 0.16 Q30 1 0.5445 0.7611 -0.0217 11.00000 0.05 0.16 Q31 1 1.0023 0.4797 0.4179 11.00000 0.05 0.16 Q32 1 0.5577 0.3400 0.5711 11.00000 0.05 0.16 Q33 1 -0.0205 0.5650 -0.0501 11.00000 0.05 0.16 Q34 1 0.6846 0.7649 0.1800 11.00000 0.05 0.16 Q35 1 0.3047 -0.0175 0.7601 11.00000 0.05 0.16 Q36 1 0.4613 -0.0246 0.6418 11.00000 0.05 0.16 Q37 1 0.4292 0.4180 0.2259 11.00000 0.05 0.16 Q38 1 0.7281 0.5647 0.4690 11.00000 0.05 0.16 Q39 1 0.6005 0.1201 0.4090 11.00000 0.05 0.16 Q40 1 1.0431 0.2803 0.6173 11.00000 0.05 0.16 ; _shelx_res_checksum 39177 _shelx_hkl_file ; 0 0 1 790.22 45.65 0 0 1 826.30 51.62 0 0 1 798.65 46.76 0 0 1 862.28 55.23 0 0 1 853.62 47.05 0 0 -1 783.36 44.84 0 0 -1 826.59 48.18 0 0 -1 717.63 40.24 0 0 -1 738.47 47.97 0 0 -1 774.99 44.73 0 0 2 4102.19 384.85 0 0 2 3481.20 292.47 0 0 2 3663.10 298.05 0 0 2 3610.05 303.28 0 0 -2 3450.02 281.40 0 0 -2 3467.96 309.34 0 0 -2 3319.88 277.64 0 0 -2 3408.68 299.21 0 0 3 137.68 11.85 0 0 3 156.66 13.59 0 0 3 119.31 14.08 0 0 3 150.90 9.20 0 0 -3 153.21 20.25 0 0 -3 144.84 8.99 0 0 -3 135.77 12.18 0 0 -3 134.86 11.58 0 0 4 471.93 33.78 0 0 4 494.59 37.35 0 0 4 521.62 34.60 0 0 4 512.56 31.33 0 0 -4 507.72 34.07 0 0 -4 526.43 35.97 0 0 -4 595.42 48.89 0 0 -4 536.95 30.34 0 0 5 329.47 19.89 0 0 5 403.49 31.30 0 0 5 394.54 27.38 0 0 -5 388.45 27.29 0 0 -5 388.81 23.24 0 0 -5 400.27 28.58 0 0 6 42.02 8.19 0 0 6 37.94 6.45 0 0 -6 35.70 10.96 0 0 -6 37.46 6.75 0 0 7 0.30 3.13 0 0 7 1.00 4.25 0 0 -7 1.11 2.59 0 0 8 364.89 29.75 0 0 8 348.75 37.10 0 0 -8 350.38 36.61 0 0 9 173.32 17.05 0 0 9 178.97 17.61 0 0 -9 168.76 16.89 0 0 10 127.29 13.36 0 0 10 127.12 13.30 0 0 -10 121.19 12.68 0 0 11 1.56 2.12 0 0 -11 -0.25 2.49 0 0 -11 1.93 2.04 0 1 -11 18.27 4.31 0 1 -10 0.15 4.24 0 1 -10 16.47 3.60 0 -1 10 10.52 3.17 0 1 -9 2.42 3.00 0 -1 9 4.17 2.91 0 -1 9 5.20 3.78 0 1 -8 19.34 5.46 0 -1 8 20.42 5.24 0 -1 8 23.14 6.37 0 1 -7 214.43 18.41 0 -1 7 213.85 24.04 0 -1 7 241.43 20.75 0 1 -6 133.02 18.04 0 -1 6 144.98 14.01 0 -1 6 161.55 15.54 0 1 -5 21.23 2.72 0 1 -5 32.34 5.52 0 1 -5 23.62 2.26 0 1 -5 21.13 1.92 0 1 -5 32.84 5.56 0 -1 5 28.36 9.23 0 -1 5 28.48 2.53 0 -1 5 33.75 6.07 0 1 -4 25.88 5.22 0 1 -4 -0.52 7.99 0 1 -4 20.04 3.39 0 1 -4 24.09 5.17 0 1 -4 23.43 2.29 0 -1 4 24.87 5.09 0 -1 4 23.53 2.96 0 -1 4 22.50 5.69 0 -1 4 21.60 10.09 0 1 -3 19.68 3.66 0 1 -3 26.39 8.65 0 1 -3 24.52 4.75 0 1 -3 31.92 5.31 0 1 -3 28.34 5.20 0 -1 3 29.29 5.43 0 -1 3 26.46 5.01 0 -1 3 26.66 5.78 0 -1 3 27.98 6.31 0 1 -2 6768.31 693.20 0 1 -2 6887.72 667.84 0 1 -2 6678.71 659.92 0 1 -2 6323.37 640.38 0 -1 2 6011.34 594.19 0 -1 2 6338.74 619.61 0 -1 2 7103.19 700.17 0 -1 2 6245.46 621.11 0 1 -1 596.24 33.97 0 1 -1 583.66 40.59 0 1 -1 403.87 26.11 0 1 -1 586.43 34.84 0 1 -1 639.74 43.57 0 -1 1 525.61 31.85 0 -1 1 548.83 32.90 0 -1 1 571.39 33.72 0 1 0 713.70 37.12 0 1 0 704.72 39.02 0 1 0 584.74 34.44 0 1 0 755.26 42.98 0 1 0 756.22 44.34 0 -1 0 606.61 34.92 0 -1 0 744.41 41.93 0 -1 0 827.58 45.43 0 1 1 358.40 21.25 0 1 1 367.89 22.03 0 1 1 283.25 14.70 0 1 1 385.52 23.96 0 1 1 392.08 21.83 0 1 1 375.26 18.51 0 -1 -1 384.18 19.66 0 -1 -1 368.15 18.96 0 -1 -1 365.75 19.35 0 -1 -1 404.49 22.21 0 1 2 4237.70 371.76 0 1 2 4170.14 386.98 0 1 2 4678.49 397.95 0 -1 -2 4924.38 444.57 0 -1 -2 4320.39 377.12 0 -1 -2 4784.05 416.11 0 -1 -2 4195.76 368.27 0 -1 -2 4620.03 406.69 0 1 3 228.23 11.61 0 1 3 227.11 26.63 0 1 3 213.22 16.14 0 -1 -3 239.53 25.67 0 -1 -3 200.25 16.30 0 -1 -3 213.72 15.82 0 -1 -3 209.40 17.00 0 -1 -3 239.38 14.99 0 1 4 218.83 30.11 0 1 4 274.87 13.55 0 1 4 272.12 25.38 0 -1 -4 267.64 19.72 0 -1 -4 269.22 18.59 0 -1 -4 281.05 16.15 0 -1 -4 255.85 18.74 0 1 5 212.79 18.21 0 1 5 254.37 22.27 0 1 5 287.45 20.19 0 1 5 227.60 12.32 0 -1 -5 278.94 27.75 0 -1 -5 265.76 14.97 0 -1 -5 284.56 19.98 0 -1 -5 264.59 19.67 0 1 6 1376.10 106.58 0 1 6 1408.23 102.42 0 1 6 1233.45 93.91 0 -1 -6 1399.33 102.19 0 -1 -6 1359.50 100.53 0 -1 -6 1282.03 95.57 0 -1 -6 935.91 77.52 0 1 7 534.92 42.85 0 1 7 499.80 36.93 0 -1 -7 482.28 37.11 0 1 8 279.59 26.52 0 1 8 240.46 21.03 0 -1 -8 231.13 21.44 0 1 9 291.83 35.49 0 1 9 291.09 25.83 0 -1 -9 305.50 36.32 0 1 10 205.87 20.03 0 1 10 191.98 18.07 0 -1 -10 190.24 18.88 0 1 11 45.52 7.43 0 1 11 49.86 8.34 0 -1 -11 41.61 7.54 0 1 12 1.84 3.45 0 -1 -12 0.22 2.02 0 -1 -12 1.13 1.79 0 2 -10 1.36 2.33 0 2 -9 35.23 6.56 0 2 -9 29.70 7.32 0 -2 9 26.22 3.98 0 2 -8 13.86 3.87 0 -2 8 11.81 3.23 0 -2 8 11.70 5.08 0 2 -7 13.01 4.20 0 -2 7 10.94 3.41 0 -2 7 17.33 5.41 0 2 -6 26.81 5.08 0 -2 6 33.06 6.44 0 -2 6 26.59 4.44 0 2 -5 4.07 2.64 0 -2 5 3.77 1.76 0 -2 5 3.28 1.42 0 -2 5 3.21 3.03 0 -2 5 3.45 3.84 0 -2 5 4.20 3.24 0 2 -4 155.76 9.43 0 2 -4 122.15 10.02 0 2 -4 145.71 9.73 0 2 -4 153.85 12.06 0 2 -4 156.41 13.07 0 -2 4 168.27 13.63 0 -2 4 182.35 13.55 0 -2 4 161.69 12.47 0 -2 4 167.64 10.79 0 2 -3 598.61 48.20 0 2 -3 609.14 36.79 0 2 -3 701.84 51.11 0 2 -3 476.09 34.37 0 2 -3 591.35 39.28 0 2 -3 577.58 36.55 0 -2 3 610.37 41.40 0 -2 3 601.93 45.14 0 -2 3 613.26 40.95 0 -2 3 675.47 43.66 0 2 -2 281.85 17.70 0 2 -2 283.40 20.21 0 2 -2 193.25 16.22 0 2 -2 270.61 22.83 0 2 -2 314.01 23.34 0 2 -2 272.87 18.56 0 -2 2 289.25 18.89 0 -2 2 290.53 19.69 0 -2 2 275.48 19.26 0 -2 2 325.17 28.68 0 2 -1 3.58 2.97 0 2 -1 6.12 2.83 0 2 -1 3.39 2.80 0 2 -1 3.27 4.06 0 2 -1 6.43 3.38 0 2 -1 2.52 3.44 0 -2 1 5.57 3.03 0 -2 1 5.02 3.35 0 -2 1 5.09 3.19 0 2 0 1854.56 135.29 0 2 0 2236.21 164.75 0 2 0 1693.59 130.42 0 2 0 2196.82 164.87 0 2 0 2102.19 155.05 0 -2 0 2305.84 167.17 0 -2 0 1881.90 141.46 0 -2 0 2305.65 172.28 0 2 1 189.65 13.78 0 2 1 190.24 11.94 0 2 1 197.08 9.57 0 -2 -1 157.16 10.99 0 -2 -1 188.44 13.66 0 -2 -1 187.13 12.54 0 -2 -1 191.02 11.81 0 -2 -1 191.13 11.50 0 2 2 6246.84 616.26 0 2 2 7242.61 720.81 0 2 2 7294.03 713.72 0 2 2 6818.73 674.47 0 2 2 6702.98 665.24 0 2 2 6597.10 667.44 0 -2 -2 7455.43 737.53 0 -2 -2 7218.67 711.79 0 -2 -2 6981.51 696.67 0 2 3 3261.53 253.78 0 2 3 2233.06 189.38 0 2 3 2968.87 252.54 0 2 3 3291.79 268.93 0 2 3 3138.81 273.20 0 2 3 3084.67 252.93 0 -2 -3 3319.65 268.99 0 -2 -3 3228.69 275.94 0 -2 -3 3269.67 266.34 0 2 4 345.74 18.62 0 2 4 317.89 21.33 0 2 4 348.73 46.92 0 2 4 330.78 20.01 0 2 4 224.63 18.89 0 -2 -4 313.95 24.88 0 -2 -4 312.22 21.69 0 -2 -4 327.02 23.17 0 -2 -4 339.62 22.46 0 2 5 9.65 4.30 0 2 5 9.25 5.34 0 2 5 13.21 3.98 0 2 5 11.09 1.09 0 2 5 17.56 3.77 0 -2 -5 11.93 4.41 0 -2 -5 15.21 4.12 0 -2 -5 11.43 4.30 0 -2 -5 14.86 4.22 0 2 6 7.35 4.15 0 2 6 8.30 5.04 0 2 6 8.00 1.57 0 -2 -6 7.27 4.02 0 -2 -6 7.53 3.04 0 -2 -6 8.73 3.95 0 -2 -6 9.12 7.16 0 2 7 23.84 6.38 0 2 7 22.41 7.26 0 2 7 32.28 6.01 0 -2 -7 25.92 6.03 0 -2 -7 18.58 5.81 0 -2 -7 18.02 5.65 0 2 8 16.29 5.24 0 2 8 17.73 7.67 0 -2 -8 22.64 6.18 0 2 9 6.18 4.32 0 2 9 0.37 2.84 0 -2 -9 -0.84 3.29 0 2 10 6.66 5.31 0 2 10 7.15 4.57 0 -2 -10 5.73 9.06 0 2 11 20.29 6.12 0 2 11 26.91 7.05 0 -2 -11 19.75 6.46 0 2 12 3.53 3.45 0 2 12 2.13 2.90 0 -2 -12 3.01 3.10 0 3 -9 1.83 2.55 0 3 -8 -0.04 2.43 0 3 -8 1.60 2.62 0 3 -7 0.13 4.11 0 3 -7 5.71 2.61 0 3 -6 93.68 8.84 0 -3 6 82.78 6.76 0 -3 6 103.60 11.37 0 3 -5 3.72 2.05 0 -3 5 4.89 2.88 0 -3 5 1.88 1.75 0 -3 5 0.58 1.41 0 3 -4 111.33 9.21 0 3 -4 138.13 10.71 0 3 -4 154.65 13.12 0 3 -4 142.12 11.18 0 -3 4 158.23 10.99 0 -3 4 143.11 11.69 0 -3 4 158.65 13.36 0 -3 4 155.48 11.94 0 -3 4 132.30 8.97 0 3 -3 192.84 12.51 0 3 -3 192.57 13.51 0 3 -3 206.66 12.30 0 3 -3 210.69 22.37 0 -3 3 225.94 19.71 0 -3 3 185.53 11.39 0 -3 3 207.90 14.44 0 -3 3 216.40 16.32 0 3 -2 157.55 11.41 0 3 -2 127.39 12.72 0 3 -2 175.01 13.73 0 3 -2 171.50 14.89 0 3 -2 158.90 13.06 0 3 -2 159.65 11.49 0 -3 2 177.05 13.68 0 -3 2 179.35 13.83 0 -3 2 173.20 17.08 0 3 -1 2501.99 194.56 0 3 -1 1927.80 159.31 0 3 -1 2542.51 197.74 0 3 -1 2692.57 209.15 0 3 -1 2490.28 196.19 0 3 -1 2350.02 199.00 0 -3 1 2440.07 193.56 0 -3 1 2612.50 203.33 0 3 0 103.25 9.22 0 3 0 109.18 8.84 0 3 0 95.98 6.70 0 3 0 101.19 9.12 0 3 0 95.34 16.09 0 -3 0 90.12 10.18 0 -3 0 95.25 15.89 0 -3 0 101.94 8.31 0 3 1 40.80 9.22 0 3 1 36.98 7.58 0 3 1 43.42 2.46 0 3 1 38.34 5.89 0 -3 -1 41.43 9.74 0 -3 -1 39.87 7.90 0 -3 -1 31.60 6.12 0 -3 -1 43.38 6.99 0 3 2 71.24 7.60 0 3 2 65.78 6.44 0 3 2 65.11 6.79 0 3 2 75.36 4.48 0 3 2 74.05 10.05 0 -3 -2 71.48 7.52 0 -3 -2 71.66 7.42 0 -3 -2 72.98 17.16 0 3 3 19.23 3.51 0 3 3 20.57 4.24 0 3 3 19.08 3.63 0 3 3 19.69 4.48 0 3 3 19.74 5.02 0 3 3 16.07 6.08 0 -3 -3 21.15 5.53 0 -3 -3 22.11 4.67 0 3 4 366.22 25.16 0 3 4 359.79 29.84 0 3 4 482.23 25.08 0 3 4 356.32 24.65 0 3 4 403.47 26.44 0 3 4 390.33 33.76 0 -3 -4 376.39 25.79 0 -3 -4 396.73 26.68 0 3 5 312.59 21.07 0 3 5 260.45 20.01 0 3 5 238.31 28.61 0 3 5 309.79 15.34 0 3 5 312.13 19.90 0 -3 -5 323.31 20.82 0 -3 -5 324.04 23.37 0 -3 -5 322.37 23.16 0 3 6 234.72 15.69 0 3 6 258.27 18.81 0 3 6 217.38 19.73 0 3 6 215.25 18.88 0 -3 -6 239.78 15.16 0 -3 -6 246.68 26.42 0 -3 -6 281.20 21.08 0 3 7 62.63 9.02 0 3 7 57.74 9.72 0 3 7 56.72 4.17 0 3 7 71.46 12.66 0 -3 -7 62.97 8.82 0 -3 -7 66.23 13.58 0 -3 -7 56.83 4.69 0 3 8 2.71 3.40 0 3 8 4.77 4.52 0 -3 -8 3.61 3.62 0 3 9 4.19 3.70 0 3 9 3.18 5.20 0 -3 -9 3.87 4.24 0 3 10 8.59 5.18 0 3 10 40.32 10.85 0 -3 -10 8.36 6.03 0 3 11 7.46 5.22 0 3 11 8.21 4.48 0 3 12 27.96 6.11 0 3 12 30.09 7.67 0 -3 -12 34.86 7.23 0 4 -8 6.93 3.47 0 4 -7 31.71 5.89 0 4 -7 23.78 3.82 0 4 -6 8.52 3.08 0 4 -6 5.12 4.56 0 4 -5 82.81 9.71 0 4 -5 67.48 10.62 0 -4 5 67.08 6.93 0 4 -4 12.75 5.20 0 4 -4 3.60 4.16 0 -4 4 15.21 3.76 0 4 -3 237.92 15.59 0 4 -3 247.11 20.78 0 4 -3 240.66 14.67 0 4 -3 253.67 25.70 0 -4 3 244.58 19.18 0 -4 3 272.95 23.72 0 -4 3 251.63 17.01 0 4 -2 217.07 16.21 0 4 -2 225.20 18.02 0 4 -2 218.15 18.88 0 4 -2 213.94 14.82 0 4 -2 227.49 17.12 0 -4 2 215.33 17.66 0 -4 2 227.28 18.99 0 -4 2 234.53 17.81 0 4 -1 495.61 31.87 0 4 -1 499.81 33.96 0 4 -1 475.03 32.71 0 4 -1 530.77 34.11 0 4 -1 480.58 32.74 0 -4 1 461.39 34.48 0 -4 1 509.23 35.69 0 -4 1 546.71 34.74 0 4 0 250.39 17.21 0 4 0 251.73 18.10 0 4 0 257.13 16.12 0 4 0 256.55 17.49 0 4 0 251.90 18.80 0 -4 0 290.30 20.25 0 -4 0 284.81 21.85 0 -4 0 249.94 19.74 0 4 1 196.33 17.23 0 4 1 194.35 13.89 0 4 1 189.34 15.79 0 4 1 193.85 14.01 0 -4 -1 168.63 14.07 0 -4 -1 199.68 12.99 0 -4 -1 186.50 15.30 0 4 2 8.88 3.15 0 4 2 9.99 2.67 0 4 2 8.52 0.98 0 4 2 5.77 1.08 0 4 2 7.94 4.55 0 -4 -2 8.72 3.53 0 -4 -2 8.43 2.90 0 -4 -2 8.87 4.55 0 4 3 25.65 2.16 0 4 3 26.96 5.92 0 4 3 29.12 7.78 0 4 3 23.23 4.12 0 4 3 28.30 7.82 0 -4 -3 26.83 4.52 0 -4 -3 27.42 11.49 0 -4 -3 36.82 7.08 0 4 4 158.88 11.51 0 4 4 156.25 13.35 0 4 4 160.37 12.55 0 4 4 151.71 20.46 0 4 4 164.06 12.45 0 -4 -4 180.62 15.18 0 -4 -4 169.23 12.59 0 4 5 22.59 3.67 0 4 5 16.75 7.42 0 4 5 25.25 6.97 0 -4 -5 -0.26 4.62 0 -4 -5 26.57 4.84 0 4 6 904.25 64.03 0 4 6 770.31 59.15 0 4 6 959.76 66.91 0 4 6 904.77 64.81 0 -4 -6 969.22 70.23 0 -4 -6 993.07 68.41 0 -4 -6 1020.61 72.21 0 4 7 62.48 7.39 0 4 7 52.51 4.38 0 4 7 58.58 7.77 0 4 7 54.03 8.22 0 -4 -7 63.90 8.36 0 -4 -7 58.61 5.38 0 -4 -7 62.94 8.74 0 4 8 102.42 12.48 0 4 8 103.76 16.29 0 -4 -8 104.10 12.11 0 4 9 258.09 21.84 0 4 9 269.79 25.67 0 -4 -9 243.67 22.60 0 4 10 23.71 13.35 0 4 10 19.36 5.89 0 -4 -10 19.37 6.84 0 4 11 15.45 5.76 0 4 11 17.85 6.16 0 -4 -11 19.30 6.66 0 4 12 1.55 2.71 0 4 12 1.41 3.25 0 -4 -12 1.28 5.52 0 4 13 -0.73 1.38 0 4 13 0.96 1.71 0 -4 -13 -0.26 1.69 0 5 -8 0.71 1.64 0 5 -7 68.84 8.00 0 5 -6 3.29 3.01 0 5 -6 2.66 1.57 0 5 -5 576.48 40.66 0 5 -5 700.11 50.78 0 -5 5 610.35 44.33 0 5 -4 30.69 6.11 0 5 -4 28.04 4.12 0 -5 4 30.00 5.68 0 5 -3 16.93 3.25 0 5 -3 19.10 4.60 0 5 -3 14.40 2.73 0 -5 3 18.75 5.10 0 5 -2 3.22 3.01 0 5 -2 3.23 2.03 0 5 -2 3.64 2.32 0 5 -2 10.72 2.28 0 -5 2 3.49 3.85 0 5 -1 194.37 12.73 0 5 -1 188.29 14.38 0 5 -1 195.96 14.52 0 5 -1 215.19 14.90 0 5 -1 214.33 15.93 0 -5 1 194.98 17.22 0 -5 1 212.00 13.63 0 -5 1 223.23 18.03 0 5 0 1354.11 102.61 0 5 0 1456.89 114.95 0 5 0 1372.91 98.62 0 5 0 1381.72 101.54 0 5 0 1509.85 110.67 0 -5 0 1557.42 111.36 0 -5 0 1469.18 110.06 0 -5 0 1347.91 103.69 0 5 1 125.57 12.36 0 5 1 128.35 10.36 0 5 1 123.57 12.07 0 5 1 126.14 14.94 0 -5 -1 123.39 12.29 0 -5 -1 135.04 9.16 0 -5 -1 118.06 16.96 0 5 2 61.00 6.69 0 5 2 57.52 5.42 0 5 2 64.08 9.17 0 -5 -2 67.31 9.53 0 -5 -2 58.51 7.49 0 -5 -2 62.42 5.67 0 5 3 93.98 16.45 0 5 3 82.46 3.66 0 5 3 94.94 11.44 0 -5 -3 99.96 7.97 0 -5 -3 94.80 11.12 0 -5 -3 98.95 12.94 0 5 4 9.68 1.25 0 5 4 10.35 4.25 0 5 4 10.19 3.29 0 5 4 8.62 2.96 0 5 4 12.43 3.24 0 -5 -4 11.23 3.32 0 -5 -4 11.09 2.60 0 -5 -4 10.87 4.75 0 5 5 245.22 17.67 0 5 5 165.00 12.33 0 5 5 235.25 15.73 0 5 5 206.52 12.64 0 5 5 235.88 16.37 0 -5 -5 243.80 25.13 0 -5 -5 248.26 22.26 0 -5 -5 228.46 15.04 0 5 6 647.98 48.62 0 5 6 759.55 56.07 0 5 6 732.89 49.89 0 5 6 620.28 43.78 0 -5 -6 773.46 53.21 0 -5 -6 763.04 58.78 0 -5 -6 761.20 53.12 0 5 7 46.89 6.35 0 5 7 37.68 5.88 0 5 7 42.42 8.19 0 -5 -7 49.43 7.06 0 -5 -7 48.73 7.52 0 5 8 4.40 3.18 0 5 8 3.27 2.46 0 5 8 5.19 3.22 0 -5 -8 5.43 3.98 0 5 9 12.58 4.94 0 5 9 11.17 5.16 0 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0 6 3 188.74 24.45 0 6 3 190.57 13.20 0 -6 -3 203.15 21.13 0 -6 -3 211.72 19.28 0 -6 -3 196.56 13.21 0 6 4 1528.68 113.78 0 6 4 1490.92 110.53 0 6 4 1491.50 115.66 0 -6 -4 1599.80 125.76 0 -6 -4 1525.54 112.95 0 -6 -4 1586.19 117.78 0 6 5 25.57 5.32 0 6 5 24.40 4.31 0 6 5 22.70 4.11 0 -6 -5 28.04 6.35 0 -6 -5 26.39 4.28 0 -6 -5 22.79 2.96 0 6 6 11.39 1.47 0 6 6 15.42 3.39 0 6 6 9.94 1.84 0 6 6 17.96 4.11 0 -6 -6 16.82 3.66 0 -6 -6 0.15 3.82 0 -6 -6 17.45 4.53 0 6 7 29.95 3.11 0 6 7 32.69 3.92 0 6 7 42.25 5.65 0 6 7 40.67 5.04 0 -6 -7 40.53 6.50 0 6 8 1.21 1.48 0 6 8 0.94 1.74 0 6 8 2.52 2.37 0 6 9 326.74 25.35 0 6 9 365.68 28.27 0 -6 -9 363.33 30.45 0 6 10 166.93 16.03 0 6 10 197.83 22.94 0 -6 -10 156.96 17.10 0 6 11 122.79 12.85 0 6 11 152.98 13.27 0 -6 -11 112.07 14.05 0 6 12 73.05 8.87 0 6 12 67.84 8.63 0 -6 -12 69.46 10.10 0 6 13 0.54 1.08 0 6 13 -0.46 1.11 0 -6 -13 -0.22 2.40 0 7 -6 11.04 2.93 0 7 -5 2.79 3.45 0 -7 5 1.19 1.31 0 7 -4 39.39 9.37 0 7 -3 311.36 23.20 0 -7 3 328.77 33.47 0 7 -2 5.17 3.26 0 -7 2 5.77 4.54 0 7 -1 29.67 4.87 0 7 -1 33.43 5.43 0 7 -1 34.08 9.13 0 -7 1 37.91 8.06 0 7 0 3.34 2.31 0 7 0 0.00 1.08 0 7 0 0.89 3.22 0 -7 0 2.00 2.94 0 7 1 29.96 3.42 0 7 1 30.13 7.07 0 7 1 32.87 5.18 0 -7 -1 38.30 3.96 0 -7 -1 30.98 7.59 0 7 2 4.29 1.88 0 7 2 3.72 7.36 0 7 2 5.07 2.78 0 -7 -2 4.77 3.81 0 -7 -2 4.58 3.11 0 7 3 120.03 13.40 0 7 3 113.39 11.06 0 7 3 125.32 10.17 0 -7 -3 121.62 17.42 0 -7 -3 119.87 8.45 0 7 4 283.13 23.24 0 7 4 264.90 17.90 0 7 4 385.97 28.65 0 -7 -4 272.00 17.94 0 -7 -4 276.72 20.16 0 7 5 16.61 4.96 0 7 5 14.22 3.60 0 7 5 14.13 3.13 0 -7 -5 15.40 3.18 0 -7 -5 12.26 2.83 0 7 6 3.10 2.35 0 7 6 3.41 3.30 0 7 6 3.92 2.36 0 7 7 51.77 6.52 0 7 7 56.28 6.94 0 -7 -7 51.94 7.39 0 7 8 897.92 66.39 0 7 8 870.43 64.08 0 -7 -8 882.52 67.49 0 7 9 191.77 13.91 0 7 9 243.95 19.32 0 7 10 267.21 29.21 0 -7 -10 254.02 31.17 0 7 11 30.44 5.49 0 7 11 17.93 3.36 0 -7 -11 26.70 6.42 0 7 12 2.19 2.55 0 7 12 1.45 1.68 0 -7 -12 2.79 3.04 0 7 13 7.66 2.23 0 7 13 8.86 5.46 0 -7 -13 9.87 4.02 0 8 -4 5.87 2.52 0 -8 4 3.30 2.34 0 8 -3 0.96 1.89 0 -8 3 0.98 2.22 0 8 -2 60.06 7.07 0 -8 2 61.61 14.52 0 8 -1 7.77 2.73 0 8 -1 10.92 3.61 0 -8 1 13.55 9.59 0 8 0 14.69 7.36 0 8 0 15.81 4.23 0 -8 0 17.36 11.75 0 8 1 3.88 6.52 0 8 1 4.95 3.03 0 -8 -1 6.49 8.78 0 8 2 240.72 15.48 0 8 2 257.37 22.79 0 8 2 265.03 19.12 0 -8 -2 272.59 31.83 0 8 3 131.53 14.63 0 8 3 110.47 10.47 0 8 3 129.70 10.73 0 -8 -3 116.81 12.47 0 8 4 38.19 7.87 0 8 4 32.31 3.89 0 -8 -4 32.36 5.91 0 8 5 0.34 1.17 0 8 5 -0.31 2.47 0 -8 -5 0.68 1.32 0 8 6 5.06 2.84 0 8 6 41.63 5.97 0 8 6 7.26 3.19 0 8 7 12.83 7.58 0 8 7 11.58 6.06 0 -8 -7 10.91 3.98 0 8 8 51.55 7.46 0 8 8 50.48 7.63 0 -8 -8 140.22 11.39 0 8 9 88.12 8.47 0 8 9 101.85 10.30 0 -8 -9 104.06 11.61 0 8 10 16.54 9.71 0 -8 -10 58.05 8.82 0 8 11 24.70 5.33 0 -8 -11 25.24 6.09 0 8 12 21.11 4.62 0 -8 -12 20.68 5.28 0 8 13 48.44 9.12 0 -8 -13 49.18 6.95 0 9 -3 15.41 3.40 0 -9 3 15.54 3.92 0 9 -2 0.47 1.40 0 -9 2 -0.08 1.97 0 9 -1 3.25 2.45 0 -9 1 2.30 3.70 0 9 0 25.95 4.71 0 9 0 19.41 4.53 0 -9 0 22.78 7.16 0 9 1 8.99 3.42 0 9 1 7.08 4.07 0 -9 -1 7.06 5.31 0 9 2 13.89 6.15 0 9 2 14.73 4.07 0 -9 -2 16.01 6.29 0 9 3 2.17 4.61 0 9 3 1.34 4.33 0 -9 -3 6.00 3.74 0 9 4 17.47 6.26 0 9 4 11.41 2.36 0 -9 -4 17.13 4.64 0 9 5 130.34 9.55 0 9 5 171.89 17.07 0 -9 -5 143.29 12.06 0 9 6 53.68 5.47 0 9 6 63.24 9.95 0 9 6 61.49 6.89 0 -9 -6 46.92 7.21 0 9 7 139.28 15.57 0 9 7 132.80 21.29 0 -9 -7 128.63 11.22 0 9 8 5.11 3.70 0 9 8 6.30 2.98 0 -9 -8 4.99 3.03 0 9 9 13.56 3.95 0 9 9 15.28 3.99 0 9 10 26.71 5.96 0 9 10 37.71 5.56 0 -9 -10 37.40 6.50 0 9 11 9.40 3.49 0 -9 -11 8.82 3.93 0 9 12 2.83 2.32 0 -9 -12 3.94 2.70 0 9 13 5.89 2.60 0 -9 -13 2.61 2.53 0 10 -2 21.81 3.96 0 -10 2 28.64 5.03 0 10 -1 27.84 4.13 0 -10 1 28.40 6.41 0 10 0 2.42 1.99 0 10 0 1.70 1.71 0 -10 0 2.02 3.46 0 10 1 12.50 3.44 0 10 1 12.03 4.00 0 -10 -1 12.49 5.78 0 10 2 17.86 6.33 0 10 2 14.78 5.39 0 -10 -2 15.18 6.22 0 10 3 109.51 9.77 0 10 3 107.53 13.66 0 -10 -3 110.48 13.04 0 10 4 69.53 7.45 0 10 4 60.66 10.84 0 -10 -4 56.87 8.53 0 10 5 9.31 5.52 0 -10 -5 8.51 3.26 0 10 6 40.96 8.41 0 -10 -6 25.90 5.85 0 10 7 63.03 14.89 0 10 7 58.46 9.73 0 -10 -7 50.98 5.38 0 10 8 4.28 3.62 0 10 8 4.71 2.56 0 -10 -8 4.76 2.29 0 10 9 2.49 2.32 0 10 9 1.84 1.97 0 -10 -9 0.64 1.93 0 10 10 4.18 2.37 0 10 10 2.92 2.03 0 -10 -10 3.88 2.60 0 10 11 25.04 4.40 0 -10 -11 22.97 4.51 0 10 12 4.10 2.09 0 -10 -12 4.39 2.30 0 11 0 9.92 1.63 0 -11 0 3.17 4.21 0 11 1 -0.48 1.83 0 11 1 0.15 1.02 0 -11 -1 1.50 2.13 0 11 2 2.28 2.53 0 11 2 2.03 1.81 0 -11 -2 2.56 3.68 0 11 3 15.13 3.25 0 11 3 13.43 5.16 0 -11 -3 16.16 5.32 0 11 4 304.98 26.41 0 11 4 302.82 21.18 0 -11 -4 294.36 24.77 0 11 5 27.17 6.99 0 -11 -5 21.75 4.45 0 11 6 66.28 15.06 0 -11 -6 42.94 4.80 0 11 7 8.17 5.28 0 11 7 18.73 5.56 0 11 8 1.17 2.72 0 11 8 1.00 1.54 0 11 9 37.93 4.57 0 11 9 41.25 6.30 0 -11 -9 29.95 3.87 0 11 10 6.49 2.53 0 11 10 7.13 2.25 0 -11 -10 3.23 3.53 0 11 11 6.25 2.50 0 -11 -11 20.92 2.74 0 -12 -2 17.69 8.30 0 12 3 0.36 0.87 0 12 3 0.70 1.48 0 -12 -3 0.77 3.35 0 12 4 0.92 1.07 0 12 4 -0.18 3.65 0 -12 -4 0.40 3.30 0 12 5 3.40 3.03 0 12 5 1.96 1.39 0 -12 -5 2.04 1.91 0 12 6 53.55 8.48 0 12 7 2.61 3.26 0 12 8 21.34 5.45 0 12 8 16.77 2.72 0 12 9 0.07 0.61 0 12 9 -0.13 1.17 -1 12 10 0.85 1.69 1 -12 -9 8.24 1.66 -1 12 9 11.00 3.71 -1 12 8 1.24 2.66 -1 12 7 12.68 5.17 -1 12 6 28.94 6.60 -1 12 5 259.62 22.00 1 -12 -4 59.67 9.80 -1 12 4 62.67 7.53 1 -12 -3 31.97 5.25 -1 12 3 24.84 4.31 1 -12 -2 11.52 3.93 1 -11 -11 21.07 3.87 1 -11 -10 18.76 3.71 -1 11 10 19.58 6.31 -1 11 10 12.67 2.13 1 -11 -9 109.46 9.48 -1 11 9 128.74 11.69 -1 11 9 81.23 7.21 1 -11 -8 1.75 1.68 -1 11 8 0.44 2.83 -1 11 8 1.04 1.10 1 -11 -7 0.42 1.66 -1 11 7 2.05 1.17 -1 11 7 1.03 3.13 1 -11 -6 10.23 2.64 -1 11 6 12.84 3.41 -1 11 6 13.68 5.25 1 -11 -5 2.02 1.67 -1 11 5 1.08 5.40 -1 11 5 1.35 1.23 1 -11 -4 13.11 3.62 -1 11 4 9.91 7.85 -1 11 4 8.92 2.04 1 -11 -3 142.00 13.35 -1 11 3 131.27 17.23 -1 11 3 114.35 8.48 1 -11 -2 35.77 6.82 -1 11 2 27.14 6.70 -1 11 2 26.14 3.08 1 -11 -1 1.99 2.55 -1 11 1 0.63 0.93 -1 11 1 0.70 0.83 1 -11 0 123.20 12.95 1 -10 -12 1.27 2.00 1 -10 -11 2.04 4.46 -1 10 11 1.96 1.36 1 -10 -10 4.77 3.29 -1 10 10 4.14 3.17 -1 10 10 5.19 4.29 1 -10 -9 1.66 2.44 -1 10 9 1.69 1.47 -1 10 9 1.47 2.52 1 -10 -8 23.43 4.95 -1 10 8 20.66 3.33 -1 10 8 35.51 6.55 1 -10 -7 42.47 6.14 -1 10 7 49.30 8.44 -1 10 7 38.06 4.35 -1 10 6 -0.19 4.37 -1 10 6 0.29 1.28 1 -10 -5 3.51 2.42 -1 10 5 4.30 5.14 -1 10 5 3.28 2.30 -1 10 5 13.45 2.37 1 -10 -4 63.37 7.73 -1 10 4 59.82 5.50 -1 10 4 71.17 10.37 1 -10 -3 13.49 4.90 -1 10 3 12.83 2.50 -1 10 3 14.64 5.31 -1 10 3 15.44 2.82 1 -10 -2 24.30 6.42 -1 10 2 20.15 5.23 -1 10 2 22.43 5.24 1 -10 -1 75.13 10.20 -1 10 1 64.60 8.31 -1 10 1 56.01 6.78 1 -10 0 20.70 6.23 -1 10 0 18.68 4.77 1 -10 1 17.13 5.42 -1 10 -1 13.52 3.88 1 -10 2 56.12 7.79 -1 9 12 0.14 0.84 1 -9 -11 1.00 5.02 -1 9 11 1.60 1.64 1 -9 -10 11.87 4.94 -1 9 10 10.11 4.94 -1 9 10 11.21 4.89 1 -9 -9 79.89 10.30 -1 9 9 80.19 8.61 -1 9 9 75.04 7.00 1 -9 -8 84.80 10.23 -1 9 8 97.45 10.82 -1 9 8 76.46 7.14 1 -9 -7 1.70 3.44 -1 9 7 5.06 2.12 -1 9 7 6.34 4.13 -1 9 6 58.27 16.11 -1 9 6 51.43 6.59 1 -9 -5 65.31 6.41 -1 9 5 77.47 7.37 -1 9 5 90.36 11.95 1 -9 -4 94.26 9.63 -1 9 4 98.54 8.33 -1 9 4 105.23 12.83 1 -9 -3 82.33 9.86 -1 9 3 87.31 11.52 -1 9 3 81.08 10.05 1 -9 -2 36.17 12.70 -1 9 2 36.65 7.31 -1 9 2 40.21 4.83 -1 9 2 35.06 6.29 1 -9 -1 17.11 11.04 -1 9 1 12.86 2.74 -1 9 1 14.15 4.18 -1 9 1 16.01 3.27 1 -9 0 180.82 26.31 -1 9 0 123.46 11.04 -1 9 0 159.05 11.78 1 -9 1 94.74 18.64 -1 9 -1 88.76 7.72 -1 9 -2 14.31 2.94 1 -9 3 27.13 5.18 -1 9 -3 20.13 3.12 1 -8 -13 22.91 5.07 1 -8 -12 30.72 6.36 -1 8 12 27.53 4.18 1 -8 -11 9.59 4.97 -1 8 11 9.33 3.13 1 -8 -10 292.60 24.95 -1 8 10 255.57 19.63 -1 8 10 207.35 16.82 1 -8 -9 4.17 4.14 -1 8 9 3.81 2.47 -1 8 9 4.08 2.71 -1 8 8 29.02 5.77 -1 8 8 25.25 4.26 -1 8 7 71.71 6.85 -1 8 7 81.23 9.98 -1 8 6 88.63 17.63 -1 8 6 81.19 8.53 -1 8 6 79.55 6.89 1 -8 -5 80.73 6.73 -1 8 5 94.90 8.41 -1 8 5 102.24 12.23 1 -8 -4 12.30 3.68 -1 8 4 26.00 3.60 -1 8 4 11.83 3.70 -1 8 4 14.26 5.91 1 -8 -3 286.68 28.83 -1 8 3 293.09 24.40 -1 8 3 268.30 22.47 1 -8 -2 8.18 4.34 -1 8 2 7.07 2.61 -1 8 2 5.71 4.08 -1 8 2 7.28 2.72 1 -8 -1 62.47 10.02 -1 8 1 60.04 6.05 -1 8 1 63.77 6.27 -1 8 1 58.38 8.01 1 -8 0 33.66 8.20 -1 8 0 27.20 4.96 -1 8 0 32.58 4.50 -1 8 0 29.24 3.98 1 -8 1 44.85 8.90 -1 8 -1 40.57 5.07 -1 8 -1 35.00 4.18 1 -8 2 60.14 9.70 -1 8 -2 52.46 5.85 -1 8 -2 43.68 4.51 1 -8 3 148.50 11.69 -1 8 -3 8.01 3.25 1 -8 4 1.61 2.19 -1 8 -4 1.80 1.58 1 -7 -13 16.52 4.77 -1 7 13 13.14 2.98 1 -7 -12 18.47 5.40 -1 7 12 17.46 3.79 -1 7 12 12.16 2.65 1 -7 -11 42.17 8.29 -1 7 11 38.80 5.85 1 -7 -10 57.10 10.16 -1 7 10 55.65 7.36 1 -7 -9 146.92 16.16 -1 7 9 128.99 14.07 -1 7 9 145.61 16.48 1 -7 -8 2.98 3.67 -1 7 8 2.20 2.23 -1 7 8 2.88 2.53 -1 7 7 111.10 9.28 -1 7 7 118.39 11.55 -1 7 6 112.41 17.03 -1 7 6 102.39 11.32 -1 7 6 111.01 10.53 1 -7 -5 55.34 4.69 -1 7 5 68.61 5.98 -1 7 5 72.80 9.36 -1 7 5 67.91 7.10 1 -7 -4 85.94 10.55 1 -7 -4 110.44 9.43 -1 7 4 97.34 7.64 -1 7 4 95.80 11.27 -1 7 4 92.61 8.53 1 -7 -3 322.09 23.30 1 -7 -3 332.94 22.18 -1 7 3 310.29 21.45 -1 7 3 326.06 26.04 -1 7 3 326.50 21.15 1 -7 -2 61.37 8.42 1 -7 -2 71.28 6.60 -1 7 2 63.16 8.64 -1 7 2 65.90 6.78 -1 7 2 66.44 6.19 -1 7 2 66.51 5.99 1 -7 -1 82.39 10.63 -1 7 1 82.92 7.26 -1 7 1 80.43 8.94 -1 7 1 86.40 7.36 1 -7 0 3.22 3.80 -1 7 0 1.58 2.08 -1 7 0 4.11 2.27 -1 7 0 2.43 2.05 1 -7 1 36.86 7.95 -1 7 -1 24.26 3.75 -1 7 -1 27.02 6.26 -1 7 -1 30.65 7.15 1 -7 2 63.29 10.13 -1 7 -2 53.79 8.47 -1 7 -2 56.55 9.68 1 -7 3 436.74 35.37 -1 7 -3 403.11 33.30 -1 7 -3 353.45 28.54 1 -7 4 3.22 3.03 -1 7 -4 3.44 3.77 -1 7 -4 2.04 2.61 1 -7 5 12.26 3.04 -1 7 -5 10.65 5.08 -1 7 -6 7.30 2.21 1 -6 -13 5.33 6.17 -1 6 13 4.39 2.26 -1 6 13 3.72 3.94 1 -6 -12 5.78 3.92 -1 6 12 2.40 4.59 -1 6 12 4.11 2.74 1 -6 -11 6.12 4.56 -1 6 11 6.08 3.20 -1 6 11 4.55 2.98 1 -6 -10 112.49 21.77 -1 6 10 116.13 11.26 -1 6 10 94.13 9.42 1 -6 -9 113.69 14.52 -1 6 9 88.21 11.20 -1 6 9 98.98 8.04 -1 6 9 117.22 15.61 1 -6 -8 305.74 25.65 -1 6 8 305.44 21.88 -1 6 8 284.91 20.42 -1 6 8 286.21 23.93 1 -6 -7 78.67 9.97 -1 6 7 75.16 7.29 1 -6 -6 38.49 6.17 1 -6 -6 33.59 12.17 -1 6 6 35.00 4.50 -1 6 6 36.32 6.33 -1 6 6 37.33 6.21 1 -6 -5 211.35 26.56 1 -6 -5 158.48 10.50 1 -6 -5 223.77 16.42 -1 6 5 205.57 13.49 -1 6 5 208.88 15.41 -1 6 5 226.86 17.80 1 -6 -4 107.63 10.63 1 -6 -4 132.95 11.05 1 -6 -4 130.48 14.24 -1 6 4 115.72 10.04 -1 6 4 120.67 12.00 -1 6 4 122.82 8.89 1 -6 -3 54.52 6.24 1 -6 -3 47.90 5.85 1 -6 -3 57.20 9.60 -1 6 3 47.89 6.08 -1 6 3 50.01 7.85 -1 6 3 50.91 4.99 -1 6 3 49.25 8.02 1 -6 -2 10.12 4.15 1 -6 -2 12.47 3.31 -1 6 2 11.42 4.43 -1 6 2 11.71 3.37 -1 6 2 12.83 2.95 -1 6 2 11.31 3.02 1 -6 -1 24.66 6.08 1 -6 -1 26.54 7.05 -1 6 1 25.17 8.74 -1 6 1 27.57 4.21 -1 6 1 25.66 3.83 -1 6 1 24.98 6.00 1 -6 0 73.28 7.06 1 -6 0 62.53 8.74 1 -6 0 57.89 9.18 -1 6 0 58.89 8.91 -1 6 0 62.95 6.50 -1 6 0 62.76 6.08 -1 6 0 55.67 10.83 -1 6 0 60.45 9.44 1 -6 1 159.51 16.09 -1 6 -1 157.61 11.67 -1 6 -1 157.65 11.64 -1 6 -1 162.26 11.65 -1 6 -1 146.71 14.72 1 -6 2 8.29 4.79 -1 6 -2 6.83 2.69 -1 6 -2 5.66 2.83 1 -6 3 14.35 5.44 -1 6 -3 11.02 3.63 -1 6 -3 10.23 3.25 1 -6 4 17.56 5.60 -1 6 -4 19.57 3.93 -1 6 -4 17.50 4.37 1 -6 5 1.60 2.22 -1 6 -5 1.41 1.60 -1 6 -5 1.36 2.16 1 -6 6 62.73 5.63 -1 6 -6 85.51 7.85 -1 6 -6 70.58 6.06 -1 6 -7 5.12 3.72 1 -5 -13 17.37 4.80 -1 5 13 15.78 7.20 -1 5 13 15.25 3.48 1 -5 -12 38.43 7.86 -1 5 12 37.56 7.15 -1 5 12 39.33 6.46 1 -5 -11 8.55 5.09 -1 5 11 9.18 3.90 -1 5 11 7.42 4.29 1 -5 -10 48.17 9.22 -1 5 10 48.70 7.74 -1 5 10 44.39 7.39 1 -5 -9 1047.45 85.34 -1 5 9 1053.47 82.31 -1 5 9 961.53 82.75 1 -5 -8 297.84 25.44 -1 5 8 297.82 27.51 -1 5 8 315.03 24.04 -1 5 8 256.02 21.37 1 -5 -7 176.58 16.35 1 -5 -7 173.89 13.81 -1 5 7 179.97 13.32 -1 5 7 164.17 12.18 -1 5 7 172.78 13.38 -1 5 7 174.12 13.43 1 -5 -6 202.49 16.71 1 -5 -6 189.11 15.36 -1 5 6 223.41 16.76 -1 5 6 156.39 11.57 -1 5 6 164.90 11.81 -1 5 6 190.90 13.31 -1 5 5 7.38 3.43 -1 5 5 5.78 1.54 -1 5 5 7.33 4.16 -1 5 5 6.32 1.54 1 -5 -4 14.11 5.63 1 -5 -4 18.05 4.25 -1 5 4 15.47 4.83 -1 5 4 11.42 1.17 -1 5 4 15.50 3.05 -1 5 4 16.68 3.96 -1 5 4 13.48 2.19 1 -5 -3 31.51 5.57 1 -5 -3 27.65 4.15 1 -5 -3 31.60 12.53 -1 5 3 27.43 5.15 -1 5 3 28.89 6.38 1 -5 -2 77.16 7.73 1 -5 -2 67.93 7.88 -1 5 2 73.90 9.02 -1 5 2 89.37 6.91 -1 5 2 75.79 6.35 -1 5 2 69.31 7.25 1 -5 -1 11.25 4.50 1 -5 -1 12.21 3.47 -1 5 1 10.74 2.87 -1 5 1 11.83 7.64 -1 5 1 11.00 5.86 -1 5 1 11.70 4.87 1 -5 0 9.96 4.65 1 -5 0 10.97 5.75 1 -5 0 11.36 4.10 -1 5 0 8.82 3.14 -1 5 0 8.15 3.45 -1 5 0 8.91 2.70 -1 5 0 8.73 2.71 1 -5 1 476.56 36.43 1 -5 1 556.41 36.22 1 -5 1 511.98 36.93 -1 5 -1 490.18 32.16 -1 5 -1 472.67 31.84 -1 5 -1 494.21 32.96 -1 5 -1 492.74 33.79 -1 5 -1 526.15 34.22 1 -5 2 87.21 10.96 1 -5 2 98.03 8.30 -1 5 -2 71.78 6.10 -1 5 -2 81.74 8.05 -1 5 -2 95.98 8.48 -1 5 -2 90.47 8.20 -1 5 -2 86.38 7.87 1 -5 3 386.32 30.73 -1 5 -3 387.47 27.05 -1 5 -3 402.29 28.14 1 -5 4 428.02 34.01 -1 5 -4 448.08 32.24 -1 5 -4 435.49 31.28 1 -5 5 4.80 3.09 -1 5 -5 4.32 2.77 -1 5 -5 5.14 3.26 1 -5 6 0.20 1.54 -1 5 -6 2.20 1.71 -1 5 -6 0.40 2.11 -1 5 -7 0.84 1.38 -1 5 -7 0.53 1.83 -1 5 -8 2.01 1.91 1 -4 -12 15.67 9.74 -1 4 12 20.19 6.02 -1 4 12 18.08 4.69 1 -4 -11 2.85 3.23 -1 4 11 0.48 3.19 -1 4 11 0.18 4.34 1 -4 -10 48.79 10.12 -1 4 10 52.71 9.81 -1 4 10 123.41 11.52 1 -4 -9 111.92 13.93 -1 4 9 109.63 18.96 -1 4 9 142.65 14.21 1 -4 -8 123.54 13.64 -1 4 8 136.86 14.32 -1 4 8 105.47 8.07 -1 4 8 130.63 12.05 1 -4 -7 475.83 36.56 -1 4 7 487.98 39.68 -1 4 7 490.95 36.36 -1 4 7 455.53 35.52 -1 4 7 487.27 35.06 1 -4 -6 16.43 5.43 1 -4 -6 16.40 5.47 1 -4 -6 33.16 5.19 -1 4 6 16.48 4.05 -1 4 6 16.47 3.97 -1 4 6 18.41 4.45 -1 4 6 31.76 4.22 1 -4 -5 89.47 9.59 1 -4 -5 85.90 9.22 -1 4 5 88.67 8.54 -1 4 5 80.40 7.11 -1 4 5 82.61 9.18 -1 4 5 72.61 6.62 -1 4 5 73.32 6.87 1 -4 -4 367.48 26.15 1 -4 -4 329.28 29.12 -1 4 4 285.61 17.75 -1 4 4 315.97 21.75 -1 4 4 321.08 19.95 -1 4 4 350.32 24.31 -1 4 4 292.50 18.12 1 -4 -3 179.38 13.78 1 -4 -3 169.97 15.56 -1 4 3 169.47 11.18 -1 4 3 169.91 18.50 -1 4 3 175.09 8.82 -1 4 3 168.28 14.13 -1 4 3 167.52 10.09 1 -4 -2 2080.29 177.60 1 -4 -2 1947.88 148.18 1 -4 -2 2137.32 162.85 -1 4 2 2004.06 151.81 -1 4 2 1992.95 155.19 -1 4 2 1894.35 145.13 1 -4 -1 798.57 52.69 -1 4 1 723.05 53.26 -1 4 1 789.78 63.36 -1 4 1 773.00 49.53 -1 4 1 756.14 58.41 1 -4 0 339.61 21.79 1 -4 0 282.81 21.49 -1 4 0 319.84 24.48 -1 4 0 327.14 24.52 -1 4 0 319.41 19.82 -1 4 0 323.51 21.68 -1 4 0 337.37 22.14 1 -4 1 24.67 5.05 1 -4 1 21.79 5.45 -1 4 -1 19.95 5.90 -1 4 -1 22.99 3.55 -1 4 -1 24.71 4.71 -1 4 -1 22.73 3.95 -1 4 -1 22.19 3.99 -1 4 -1 20.28 3.55 1 -4 2 241.16 18.66 1 -4 2 253.45 17.60 -1 4 -2 204.01 19.11 -1 4 -2 236.17 16.35 -1 4 -2 194.76 12.86 -1 4 -2 256.27 23.30 -1 4 -2 230.12 14.29 -1 4 -2 251.92 17.19 1 -4 3 284.24 21.06 1 -4 3 279.27 20.50 -1 4 -3 266.09 25.13 -1 4 -3 268.83 19.50 1 -4 4 0.92 1.76 -1 4 -4 0.23 2.75 -1 4 -4 -0.40 1.61 1 -4 5 3.83 2.63 -1 4 -5 2.03 3.06 -1 4 -5 0.67 5.09 1 -4 6 186.96 14.71 -1 4 -6 232.83 18.14 -1 4 -6 243.54 19.67 -1 4 -7 118.47 10.78 -1 4 -7 82.13 9.81 -1 4 -8 6.70 2.51 -1 4 -8 5.77 3.26 -1 4 -9 1.32 1.76 1 -3 -12 119.30 12.80 -1 3 12 119.52 11.61 -1 3 12 131.55 14.36 1 -3 -11 95.50 18.84 -1 3 11 92.15 10.75 -1 3 11 98.94 13.32 1 -3 -10 29.47 7.87 -1 3 10 34.30 11.48 -1 3 10 37.18 8.13 1 -3 -9 35.09 7.85 -1 3 9 38.43 7.18 -1 3 9 38.76 13.53 1 -3 -8 199.75 26.01 -1 3 8 217.84 18.60 -1 3 8 253.16 24.03 1 -3 -7 250.32 20.92 1 -3 -7 229.33 15.97 -1 3 7 252.54 20.61 -1 3 7 222.75 15.26 -1 3 7 273.32 20.38 -1 3 7 282.10 23.37 1 -3 -6 358.39 26.88 1 -3 -6 353.50 25.96 1 -3 -6 368.71 29.05 -1 3 6 362.97 27.63 -1 3 6 370.01 30.81 -1 3 6 337.56 24.92 -1 3 6 333.08 26.00 1 -3 -5 159.85 13.79 1 -3 -5 167.81 14.30 -1 3 5 154.55 11.54 -1 3 5 136.86 11.54 -1 3 5 146.16 12.67 1 -3 -4 6.20 6.69 1 -3 -4 8.17 3.72 -1 3 4 7.48 2.64 -1 3 4 5.68 3.27 -1 3 4 8.78 3.47 -1 3 4 4.80 2.90 1 -3 -3 1943.31 145.18 1 -3 -3 1954.06 150.36 -1 3 3 1963.18 148.48 -1 3 3 1751.15 126.87 -1 3 3 1839.78 138.32 -1 3 3 1828.87 133.52 1 -3 -2 1622.73 117.56 1 -3 -2 1581.34 119.43 -1 3 2 1443.85 95.82 -1 3 2 1529.42 111.29 -1 3 2 1600.48 118.96 -1 3 2 1727.02 117.45 1 -3 -1 926.31 72.14 -1 3 1 854.34 60.45 -1 3 1 875.10 69.60 -1 3 1 837.29 68.66 1 -3 0 581.39 42.39 1 -3 0 788.75 51.45 -1 3 0 768.68 48.26 -1 3 0 688.02 48.80 -1 3 0 766.50 48.15 -1 3 0 764.88 50.26 -1 3 0 796.10 52.25 1 -3 1 187.64 13.77 1 -3 1 157.03 13.59 -1 3 -1 164.52 11.12 -1 3 -1 174.04 12.16 -1 3 -1 155.94 13.99 -1 3 -1 185.23 19.83 -1 3 -1 187.02 12.08 1 -3 2 310.82 22.47 1 -3 2 350.46 23.97 1 -3 2 335.78 21.91 -1 3 -2 291.17 22.10 -1 3 -2 280.29 17.23 -1 3 -2 312.97 21.57 -1 3 -2 320.11 21.28 -1 3 -2 316.57 18.94 1 -3 3 19.85 4.36 1 -3 3 18.38 2.59 1 -3 3 19.57 4.29 1 -3 3 20.98 4.87 -1 3 -3 17.35 1.85 -1 3 -3 18.34 4.22 -1 3 -3 18.43 4.31 -1 3 -3 17.17 4.74 -1 3 -3 16.19 2.04 1 -3 4 46.07 5.47 1 -3 4 42.79 6.43 1 -3 4 46.13 6.48 1 -3 4 46.86 7.12 -1 3 -4 43.37 6.38 -1 3 -4 42.47 5.94 -1 3 -4 39.76 6.02 1 -3 5 141.40 12.05 1 -3 5 208.06 16.05 -1 3 -5 183.83 14.66 1 -3 6 10.81 2.97 1 -3 6 14.32 4.78 -1 3 -6 12.57 4.30 -1 3 -7 -2.14 8.19 -1 3 -7 145.11 10.37 -1 3 -8 2.12 4.32 -1 3 -8 2.13 2.92 -1 3 -9 0.66 1.69 -1 3 -9 0.80 1.99 1 -2 -12 4.22 2.84 -1 2 12 4.33 3.38 -1 2 12 2.63 2.92 1 -2 -11 64.65 9.22 -1 2 11 68.26 9.02 -1 2 11 74.96 10.93 1 -2 -10 355.25 31.54 -1 2 10 384.54 34.06 -1 2 10 349.57 29.32 1 -2 -9 160.79 17.06 -1 2 9 176.87 18.38 -1 2 9 172.10 23.22 1 -2 -8 109.11 12.64 -1 2 8 121.09 12.52 -1 2 8 150.06 26.08 1 -2 -7 5.29 3.70 1 -2 -7 3.65 2.60 -1 2 7 6.07 4.97 -1 2 7 4.45 2.61 -1 2 7 5.88 3.38 1 -2 -6 205.17 16.89 1 -2 -6 194.26 12.95 -1 2 6 201.19 16.75 -1 2 6 216.67 16.69 -1 2 6 226.00 19.69 -1 2 6 184.42 12.89 1 -2 -5 172.75 20.59 1 -2 -5 186.52 15.42 1 -2 -5 185.79 12.86 -1 2 5 193.74 20.19 -1 2 5 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48.58 8.43 -7 -8 -6 24.43 11.48 7 8 7 8.17 4.45 -7 -8 -7 9.52 4.94 7 8 8 11.65 5.49 7 8 8 15.25 3.25 -7 -8 -8 18.30 5.39 7 8 9 3.72 4.75 7 8 9 5.57 2.36 -7 -8 -9 6.37 3.33 7 8 10 42.69 15.63 7 8 10 42.45 7.61 7 9 1 28.21 6.85 -7 -9 -1 20.10 5.23 7 9 2 3.21 1.82 7 9 2 4.33 4.00 -7 -9 -2 2.68 2.51 7 9 3 1.21 3.22 7 9 3 1.85 1.59 -7 -9 -3 0.97 2.62 7 9 4 15.06 3.20 7 9 4 18.23 9.27 -7 -9 -4 16.74 5.40 7 9 5 18.94 5.82 7 9 5 4.88 2.47 -7 -9 -5 5.74 4.29 7 9 6 1.52 1.58 7 9 6 0.78 1.65 -7 -9 -6 1.00 4.93 7 9 7 3.62 3.53 -7 -9 -7 2.46 3.56 7 9 8 49.10 5.73 -7 -9 -8 60.72 8.32 7 9 9 23.12 3.94 -7 -9 -9 27.49 5.14 7 9 10 1.43 1.61 7 10 3 8.48 4.59 -7 -10 -3 7.94 5.64 7 10 4 1.99 2.60 7 10 4 1.39 1.52 -7 -10 -4 0.93 2.52 7 10 5 37.42 6.17 7 10 5 39.09 4.58 -7 -10 -5 45.60 11.95 -7 -10 -6 0.37 3.73 -7 -10 -7 41.04 7.26 7 10 8 17.43 3.49 -7 -10 -8 19.63 5.04 7 10 9 3.99 2.06 -7 -10 -9 2.92 2.54 -8 9 7 138.56 17.64 8 -9 -6 12.82 3.89 -8 9 6 11.17 3.38 8 -9 -5 0.07 1.48 -8 9 4 87.55 8.44 -8 9 4 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-1 5.23 4.12 9 6 0 5.41 4.12 -9 -6 0 4.45 2.29 9 6 1 0.29 2.60 -9 -6 -1 1.14 1.83 9 6 2 10.28 4.12 -9 -6 -2 13.34 3.73 -9 -6 -2 8.40 2.64 9 6 3 3.21 2.53 -9 -6 -3 6.15 3.15 -9 -6 -3 4.86 2.80 -9 -6 -4 42.09 6.73 -9 -6 -4 34.43 6.84 -9 -6 -5 11.82 4.76 -9 -6 -5 11.61 5.18 -9 -6 -6 83.49 10.66 -9 -6 -6 80.38 11.34 9 6 7 30.95 10.93 -9 -6 -7 22.89 6.89 9 6 8 6.31 8.38 -9 -6 -8 10.17 4.80 9 6 9 2.23 6.24 -9 -6 -9 1.99 5.05 9 6 10 12.55 9.78 -9 -6 -10 13.18 3.93 9 6 11 36.48 8.55 9 7 0 10.78 4.62 9 7 1 1.20 2.67 9 7 2 2.21 2.78 -9 -7 -2 2.42 1.61 9 7 3 2.98 2.52 -9 -7 -3 2.46 1.88 -9 -7 -3 4.74 2.38 9 7 4 3.88 2.15 -9 -7 -4 7.35 2.46 -9 -7 -4 6.28 3.40 -9 -7 -5 5.63 2.84 -9 -7 -5 7.13 4.15 9 7 6 0.40 4.29 -9 -7 -6 3.38 3.40 9 7 7 18.48 8.12 -9 -7 -7 20.77 6.26 9 7 8 2.50 4.30 -9 -7 -8 0.80 2.90 9 7 9 2.65 5.41 -9 -7 -9 2.68 5.17 9 7 10 2.37 5.44 -9 -7 -10 3.06 2.51 9 8 2 3.50 2.95 9 8 3 2.55 2.32 -9 -8 -3 2.56 1.97 -9 -8 -4 6.29 3.14 -9 -8 -5 4.73 3.46 9 8 6 5.06 3.49 -9 -8 -6 11.24 4.42 9 8 7 0.93 2.17 -9 -8 -7 -0.00 2.35 9 8 8 14.99 6.36 -9 -8 -8 31.57 6.16 9 8 9 4.02 4.21 -9 -8 -9 5.99 5.69 -9 -9 -4 7.49 2.92 -9 -9 -5 3.72 2.90 -9 -9 -6 0.67 2.21 -9 -9 -7 13.88 4.89 -9 -9 -8 47.79 7.27 -10 7 1 5.64 1.58 -10 7 0 0.99 1.09 -10 6 6 3.06 2.57 -10 6 5 3.24 2.37 -10 6 4 0.87 1.47 -10 6 0 18.02 2.36 -10 6 -1 1.94 1.19 -10 6 -2 0.61 0.91 -10 5 6 9.14 3.89 -10 5 5 0.84 2.04 -10 5 4 28.78 4.79 -10 5 3 2.69 1.74 -10 5 -2 0.68 1.37 10 -5 3 0.03 0.85 -10 5 -3 -0.01 0.71 10 -5 4 2.65 2.70 -10 4 6 14.34 4.93 -10 4 5 120.63 12.92 -10 4 4 75.82 9.07 -10 4 3 3.09 2.23 -10 4 -2 4.38 2.26 -10 4 -3 12.89 4.02 -10 4 -4 1.63 2.69 -10 4 -5 0.41 2.20 10 -3 -6 0.21 2.07 -10 3 5 5.51 1.79 -10 3 4 0.25 1.61 -10 3 4 38.96 4.40 -10 3 3 12.43 3.98 -10 3 2 62.39 6.66 -10 3 -2 50.97 5.86 -10 3 -3 127.17 11.81 -10 3 -4 16.39 5.43 -10 3 -5 6.03 4.18 -10 3 -6 44.95 8.26 -10 2 6 28.01 4.22 10 -2 -5 -3.44 7.05 -10 2 5 56.84 5.46 -10 2 4 136.26 11.45 -10 2 4 149.52 15.39 -10 2 3 67.10 6.87 -10 2 3 68.20 8.81 -10 2 2 49.35 5.46 -10 2 2 43.76 6.23 -10 2 1 80.87 10.23 -10 2 0 19.35 3.54 -10 2 -2 3.63 3.52 -10 2 -3 33.30 8.93 -10 2 -4 36.53 11.11 -10 2 -5 46.51 8.53 -10 2 -6 10.62 5.16 -10 2 -7 18.21 5.80 -10 1 5 60.69 7.51 -10 1 4 151.08 13.51 -10 1 3 0.11 1.13 -10 1 3 -0.19 1.30 -10 1 2 137.58 11.87 -10 1 2 115.68 11.96 -10 1 1 0.07 1.69 -10 1 1 0.64 1.31 -10 1 0 9.28 5.88 -10 1 -1 8.97 3.61 -10 1 -2 16.04 3.65 -10 1 -2 9.80 3.10 -10 1 -3 49.47 5.62 -10 1 -3 42.60 6.49 10 -1 4 0.05 2.18 -10 1 -4 0.95 2.17 10 -1 5 0.08 1.24 -10 1 -5 -0.06 1.49 -10 1 -6 39.12 13.25 -10 1 -7 2.99 3.66 -10 1 -8 103.99 12.24 10 0 -5 70.53 10.51 -10 0 5 94.52 9.75 10 0 -4 66.50 10.50 -10 0 4 85.70 9.94 10 0 -3 9.09 4.91 -10 0 3 14.27 4.72 10 0 -2 5.15 3.80 -10 0 2 11.50 4.16 10 0 -1 2.15 2.85 -10 0 1 12.66 3.79 -10 0 0 52.16 7.89 -10 0 -1 49.23 12.62 -10 0 -2 24.17 6.02 -10 0 -2 18.04 3.57 -10 0 -3 999.99 76.45 -10 0 -4 177.50 14.58 -10 0 -4 157.14 15.91 10 0 5 82.18 12.39 -10 0 -5 72.37 10.79 10 0 6 34.59 8.68 -10 0 -6 45.98 8.18 10 0 7 7.82 4.74 -10 0 -7 9.32 8.21 -10 0 -8 1.65 3.12 -10 -1 4 0.36 2.04 10 1 -2 5.96 4.12 -10 -1 2 11.02 4.56 10 1 -1 24.46 5.43 -10 -1 1 43.00 7.23 10 1 0 51.94 6.01 -10 -1 -1 339.72 34.35 -10 -1 -2 1.08 4.44 -10 -1 -2 7.85 2.58 -10 -1 -3 8.89 5.02 -10 -1 -4 77.36 10.42 -10 -1 -5 434.87 33.30 10 1 6 -0.37 7.04 -10 -1 -6 16.49 5.68 10 1 7 2.40 5.36 -10 -1 -7 4.44 3.91 10 1 8 -0.49 2.69 -10 -1 -8 1.61 3.65 -10 -1 -9 1.03 2.51 -10 -2 4 0.74 2.12 10 2 -3 22.01 6.52 -10 -2 3 28.72 6.20 10 2 -2 13.70 5.32 -10 -2 2 20.39 5.73 10 2 -1 51.96 8.01 -10 -2 1 81.48 10.15 10 2 0 59.75 7.07 10 2 1 9.76 2.61 -10 -2 -1 17.54 5.14 -10 -2 -2 121.01 18.75 -10 -2 -2 72.27 10.00 -10 -2 -3 31.30 8.59 -10 -2 -3 59.67 10.49 -10 -2 -4 13.35 6.13 -10 -2 -5 38.25 8.27 10 2 6 6.48 7.96 10 2 7 8.92 8.15 10 2 8 7.72 8.23 -10 -2 -8 12.24 5.11 -10 -2 -9 1.63 4.81 10 3 -3 30.77 7.14 -10 -3 3 40.29 6.26 10 3 -2 2.39 3.54 -10 -3 2 4.23 3.27 10 3 -1 9.02 4.33 -10 -3 1 12.96 4.85 10 3 0 8.74 4.95 -10 -3 0 132.60 10.36 10 3 1 9.10 3.01 -10 -3 -1 17.73 5.32 -10 -3 -2 174.08 23.14 -10 -3 -2 102.35 9.06 -10 -3 -3 24.44 7.18 -10 -3 -3 17.03 4.22 -10 -3 -4 54.93 9.82 -10 -3 -4 40.67 7.08 -10 -3 -5 240.26 22.67 -10 -3 -5 217.27 28.63 -10 -3 -6 130.02 15.04 10 3 7 120.90 21.87 10 3 8 13.62 10.09 10 3 9 29.76 11.71 10 3 10 3.33 3.90 -10 -3 -10 3.83 4.89 10 4 -2 4.17 6.96 -10 -4 2 6.79 3.20 10 4 -1 93.94 11.38 -10 -4 1 127.20 11.55 10 4 0 11.46 4.18 -10 -4 0 16.21 4.75 10 4 1 10.58 7.58 -10 -4 -1 99.28 13.10 10 4 2 7.39 4.18 -10 -4 -2 18.71 5.63 -10 -4 -2 10.58 2.45 -10 -4 -3 70.79 10.23 -10 -4 -3 51.92 6.43 -10 -4 -4 14.82 6.48 -10 -4 -4 13.78 4.50 -10 -4 -5 169.75 17.76 -10 -4 -5 143.05 14.94 -10 -4 -6 5.77 5.01 -10 -4 -6 4.69 7.25 10 4 7 0.20 5.41 -10 -4 -7 -1.17 2.98 10 4 8 1.60 6.16 10 4 9 13.32 10.16 -10 -4 -10 4.74 2.88 10 5 -1 25.56 6.24 -10 -5 1 32.68 5.10 10 5 0 6.55 3.87 -10 -5 0 8.90 5.96 10 5 1 2.23 2.57 -10 -5 -1 3.57 3.19 10 5 2 2.53 2.07 -10 -5 -2 6.66 3.32 -10 -5 -2 2.15 1.51 -10 -5 -3 25.08 6.02 -10 -5 -3 16.66 3.73 -10 -5 -4 31.54 7.35 -10 -5 -4 25.58 5.29 -10 -5 -5 251.82 22.30 -10 -5 -5 213.58 19.27 -10 -5 -6 55.92 9.73 -10 -5 -6 48.15 8.50 10 5 7 3.82 7.07 -10 -5 -7 2.63 6.30 10 5 8 0.20 4.21 -10 -5 -8 -0.39 2.15 10 5 9 12.11 10.38 -10 -5 -9 14.80 5.09 10 5 10 85.69 13.13 -10 -5 -10 -0.11 2.65 10 6 0 2.42 2.70 10 6 1 0.40 1.68 10 6 2 0.59 1.33 -10 -6 -2 1.42 1.54 -10 -6 -2 -0.07 0.78 -10 -6 -3 3.78 2.48 -10 -6 -3 1.30 1.84 -10 -6 -4 30.33 5.87 -10 -6 -4 25.56 5.09 -10 -6 -5 80.74 9.65 -10 -6 -5 69.55 9.08 10 6 6 0.16 12.71 -10 -6 -6 92.74 9.75 10 6 7 65.22 14.75 -10 -6 -7 62.21 9.29 10 6 8 9.11 8.31 -10 -6 -8 10.13 7.88 10 6 9 3.80 6.55 -10 -6 -9 3.61 3.20 -10 -7 -3 19.76 3.18 -10 -7 -4 3.81 2.47 10 7 5 -0.11 3.69 -10 -7 -5 2.73 2.53 10 7 6 3.28 4.49 -10 -7 -6 3.37 3.28 10 7 7 46.86 10.94 -10 -7 -7 56.93 8.32 10 7 8 6.63 6.34 -10 -7 -8 7.52 6.96 10 7 9 21.82 9.40 -10 -7 -9 27.17 5.44 -10 -8 -5 1.39 2.08 -10 -8 -6 13.77 4.43 -10 -8 -7 44.49 7.10 -11 4 -3 0.36 1.13 11 -3 -4 0.55 1.29 -11 3 -3 0.38 1.27 -11 3 -4 52.41 6.71 -11 3 -5 22.27 5.07 11 -2 -4 45.25 8.24 -11 2 4 109.50 9.63 11 -2 -3 1.92 2.83 -11 2 3 22.48 3.96 -11 2 2 5.41 3.44 -11 2 1 92.05 7.45 -11 2 -3 40.50 5.13 -11 2 -4 2.22 2.37 -11 2 -5 3.49 3.04 -11 2 -6 21.45 5.51 -11 1 4 2.22 2.01 -11 1 3 14.19 3.53 11 -1 -2 0.14 1.08 -11 1 2 0.37 2.17 -11 1 1 78.21 11.99 -11 1 0 17.48 4.10 -11 1 -1 257.34 18.84 -11 1 -2 2.46 2.04 11 -1 3 -0.50 3.09 -11 1 -3 12.74 3.86 -11 1 -4 9.94 6.23 -11 1 -5 16.16 4.93 -11 1 -6 15.23 5.05 -11 1 -7 -1.01 2.50 11 0 -3 1.57 2.42 -11 0 3 3.24 2.58 11 0 -2 32.86 6.33 -11 0 2 121.65 9.41 11 0 -1 2.99 1.98 -11 0 1 18.79 5.59 -11 0 0 -5.11 5.95 -11 0 -1 19.59 5.13 -11 0 -2 148.92 13.26 -11 0 -3 57.19 6.58 -11 0 -3 29.94 4.94 11 0 4 -0.26 3.28 -11 0 -4 2.04 2.30 11 0 5 147.67 16.23 -11 0 -5 157.10 15.28 -11 0 -6 0.53 3.80 -11 0 -7 -1.02 2.75 -11 -1 3 9.19 3.90 -11 -1 2 40.57 6.91 11 1 -1 1.72 1.88 -11 -1 1 4.79 3.10 -11 -1 0 10.60 8.47 -11 -1 -1 7.30 4.27 -11 -1 -2 7.28 4.21 -11 -1 -3 4.17 4.79 -11 -1 -3 17.44 3.41 -11 -1 -4 69.77 8.42 -11 -1 -4 48.51 7.16 11 1 5 111.23 16.23 11 1 6 1.89 3.99 -11 -1 -6 1.57 2.96 11 1 7 1.18 3.27 -11 -1 -7 0.97 2.60 -11 -1 -8 2.70 3.23 11 2 -2 67.17 9.73 -11 -2 2 122.42 11.00 11 2 -1 9.07 3.29 -11 -2 1 26.07 8.16 11 2 0 41.29 5.13 -11 -2 -1 -0.06 1.83 -11 -2 -2 -0.59 2.64 -11 -2 -3 18.42 5.45 -11 -2 -3 8.95 2.91 -11 -2 -4 14.10 5.96 -11 -2 -4 21.26 4.78 -11 -2 -5 173.39 16.17 11 2 6 12.64 8.58 -11 -2 -6 15.22 5.10 11 2 7 1.66 4.74 11 2 8 26.36 8.62 -11 -2 -8 22.97 5.94 11 3 -1 0.25 3.27 -11 -3 1 3.13 4.66 11 3 0 20.43 6.49 -11 -3 0 70.35 12.82 -11 -3 -2 4.65 4.28 -11 -3 -3 19.40 5.61 -11 -3 -3 8.44 2.59 -11 -3 -4 195.49 17.86 -11 -3 -4 135.43 12.44 -11 -3 -5 62.89 9.46 -11 -3 -5 38.33 8.32 11 3 6 8.36 7.94 -11 -3 -6 5.87 4.10 11 3 7 3.24 6.37 11 3 8 7.64 8.40 -11 -3 -8 13.65 4.78 -11 -4 0 10.77 4.39 -11 -4 -1 22.35 6.12 -11 -4 -2 11.77 5.19 -11 -4 -3 4.74 3.70 -11 -4 -3 1.51 2.77 -11 -4 -4 29.30 7.04 -11 -4 -4 16.14 6.72 -11 -4 -5 12.32 4.19 11 4 6 12.82 9.91 -11 -4 -6 13.30 4.73 11 4 7 4.82 7.27 -11 -4 -7 4.35 3.60 11 4 8 1.90 3.62 -11 -4 -8 -0.38 2.04 -11 -5 -1 17.71 4.51 -11 -5 -2 3.51 3.15 -11 -5 -3 185.09 14.73 -11 -5 -3 86.59 10.97 -11 -5 -4 221.95 18.64 -11 -5 -4 149.67 17.06 -11 -5 -5 42.41 8.18 -11 -5 -5 34.85 9.41 11 5 6 98.63 17.53 -11 -5 -6 75.53 9.27 11 5 7 1.44 4.32 -11 -5 -7 0.27 2.10 11 5 8 14.39 10.39 -11 -5 -8 21.95 5.30 -11 -6 -3 51.97 6.42 -11 -6 -4 89.21 8.88 -11 -6 -4 55.54 9.28 11 6 5 0.50 9.32 -11 -6 -5 58.94 9.04 11 6 6 1.69 4.72 -11 -6 -6 1.63 4.21 11 6 7 9.08 7.92 -11 -6 -7 12.20 4.22 -12 1 1 0.10 0.91 -12 1 0 24.04 3.38 -12 1 -1 49.96 4.85 -12 1 -4 2.20 1.65 -12 1 -5 58.10 7.22 -12 0 1 26.20 4.56 -12 0 0 0.81 1.79 -12 0 -1 2.34 2.22 -12 0 -2 34.62 4.90 12 0 3 0.32 2.03 -12 0 -4 0.39 1.17 -12 0 -5 32.75 5.13 -12 0 -6 45.82 6.49 -12 -1 1 91.42 9.34 -12 -1 0 148.70 13.13 -12 -1 -1 68.76 8.44 -12 -1 -2 0.30 1.82 -12 -1 -3 16.75 4.43 12 1 4 0.79 2.48 -12 -1 -4 0.12 1.06 12 1 5 18.58 6.24 -12 -1 -6 -2.15 4.44 -12 -2 0 2.54 2.96 -12 -2 -1 5.93 3.79 -12 -2 -2 0.93 2.53 -12 -2 -3 22.48 5.71 -12 -2 -4 14.15 4.23 -12 -2 -4 6.47 2.25 12 2 5 61.36 12.26 12 2 6 6.91 6.50 -12 -2 -6 11.94 3.67 -12 -3 -1 12.86 4.71 -12 -3 -2 0.75 2.47 -12 -3 -3 10.08 4.69 -12 -3 -4 29.07 5.63 -12 -3 -4 12.92 2.72 12 3 5 3.49 5.16 -12 -3 -5 1.74 1.90 12 3 6 18.74 8.19 -12 -3 -6 13.22 3.79 -12 -4 -3 57.05 8.25 -12 -4 -4 14.70 5.26 12 4 5 2.85 4.39 -12 -4 -5 0.53 1.43 12 4 6 3.89 6.05 -12 -4 -6 3.79 2.50 ; _shelx_hkl_checksum 25213 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, -y, -z' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_site_symmetry_order _atom_site_calc_flag _atom_site_refinement_flags_posn _atom_site_refinement_flags_adp O1 O 0.6933(2) 0.9832(2) -0.1085(2) 0.0367(6) Uani 1 1 d . . O2 O 0.8089(2) 0.8947(2) 0.1053(2) 0.0325(5) Uani 1 1 d . . H2 H 0.8190 0.9708 0.0275 0.039 Uiso 1 1 calc R U O3 O -0.0198(2) 0.7953(3) -0.0679(2) 0.0386(6) Uani 1 1 d . . O4 O 0.0652(2) 0.8335(2) 0.1227(3) 0.0350(6) Uani 1 1 d . . H4A H 0.0026 0.8659 0.0825 0.042 Uiso 1 1 calc R U O5 O 0.7194(3) 0.3904(3) 0.5153(3) 0.0490(7) Uani 1 1 d . . O6 O 0.8122(3) 0.2587(3) 0.4259(3) 0.0515(7) Uani 1 1 d . . O7 O 0.3496(3) 0.2028(3) 0.3247(3) 0.0491(7) Uani 1 1 d . . O8 O 0.2786(3) 0.2220(2) 0.5135(2) 0.0402(6) Uani 1 1 d . . C1 C 0.5514(3) 0.7610(3) 0.0086(3) 0.0289(7) Uani 1 1 d . . H1 H 0.5087 0.7903 -0.0677 0.035 Uiso 1 1 calc R U C2 C 0.6494(3) 0.8492(3) 0.0012(3) 0.0283(7) Uani 1 1 d . . C3 C 0.7122(3) 0.8047(3) 0.1142(3) 0.0282(7) Uani 1 1 d . . C4 C 0.6749(3) 0.6752(4) 0.2354(4) 0.0366(8) Uani 1 1 d . . H4 H 0.7162 0.6466 0.3124 0.044 Uiso 1 1 calc R U C5 C 0.5756(3) 0.5871(4) 0.2432(4) 0.0356(8) Uani 1 1 d . . C6 C 0.5170(4) 0.4404(4) 0.3644(4) 0.0412(9) Uani 1 1 d . . H6 H 0.4969 0.4451 0.4517 0.049 Uiso 1 1 calc R U C7 C 0.3901(3) 0.4263(3) 0.3194(3) 0.0312(7) Uani 1 1 d . . H7 H 0.3245 0.4732 0.3554 0.037 Uiso 1 1 calc R U C8 C 0.4120(3) 0.5170(3) 0.1588(3) 0.0274(7) Uani 1 1 d . . H8 H 0.4471 0.4560 0.1190 0.033 Uiso 1 1 calc R U C9 C 0.5168(3) 0.6294(3) 0.1289(3) 0.0276(7) Uani 1 1 d . . C10 C 0.2933(3) 0.5826(3) 0.1004(3) 0.0281(7) Uani 1 1 d . . C11 C 0.2291(3) 0.6762(3) 0.1378(3) 0.0296(7) Uani 1 1 d . . H11 H 0.2586 0.6952 0.2025 0.035 Uiso 1 1 calc R U C12 C 0.1239(3) 0.7413(3) 0.0826(3) 0.0301(7) Uani 1 1 d . . C13 C 0.0811(3) 0.7182(3) -0.0158(3) 0.0313(7) Uani 1 1 d . . C14 C 0.1424(3) 0.6240(4) -0.0525(3) 0.0321(7) Uani 1 1 d . . H14 H 0.1125 0.6051 -0.1169 0.038 Uiso 1 1 calc R U C15 C 0.2483(3) 0.5567(3) 0.0055(3) 0.0299(7) Uani 1 1 d . . H15 H 0.2900 0.4925 -0.0203 0.036 Uiso 1 1 calc R U C16 C 0.6063(4) 0.3241(4) 0.3837(4) 0.0418(9) Uani 1 1 d . . H16A H 0.6399 0.3334 0.2922 0.050 Uiso 1 1 calc R U H16B H 0.5573 0.2291 0.4436 0.050 Uiso 1 1 calc R U C17 C 0.7180(3) 0.3299(3) 0.4486(3) 0.0319(7) Uani 1 1 d . . C18 C 0.9259(4) 0.2595(5) 0.4930(5) 0.0636(13) Uani 1 1 d . . H18A H 0.8940 0.2482 0.5858 0.076 Uiso 1 1 calc R U H18B H 0.9782 0.1780 0.5053 0.076 Uiso 1 1 calc R U C19 C 1.0077(4) 0.4012(6) 0.4002(5) 0.0660(13) Uani 1 1 d . . H19A H 1.0483 0.4060 0.3132 0.079 Uiso 1 1 calc R U H19B H 1.0743 0.4073 0.4479 0.079 Uiso 1 1 calc R U H19C H 0.9533 0.4817 0.3796 0.079 Uiso 1 1 calc R U C20 C 0.3384(3) 0.2724(4) 0.3810(3) 0.0319(7) Uani 1 1 d . . C21 C 0.2312(4) 0.0702(4) 0.5955(4) 0.0440(9) Uani 1 1 d . . H21A H 0.2116 0.0366 0.5331 0.053 Uiso 1 1 calc R U H21B H 0.1511 0.0584 0.6609 0.053 Uiso 1 1 calc R U C22 C 0.3300(4) -0.0182(4) 0.6751(4) 0.0456(9) Uani 1 1 d . . H22A H 0.4001 -0.0267 0.6113 0.055 Uiso 1 1 calc R U H22B H 0.2906 -0.1144 0.7463 0.055 Uiso 1 1 calc R U H22C H 0.3640 0.0285 0.7198 0.055 Uiso 1 1 calc R U C23 C 0.6150(4) 1.0496(4) -0.2115(3) 0.0370(8) Uani 1 1 d . . H23A H 0.6168 0.9981 -0.2627 0.044 Uiso 1 1 calc R U H23B H 0.6478 1.1502 -0.2761 0.044 Uiso 1 1 calc R U H23C H 0.5265 1.0464 -0.1664 0.044 Uiso 1 1 calc R U C24 C -0.0586(4) 0.7923(4) -0.1817(4) 0.0386(8) Uani 1 1 d . . H24A H 0.0170 0.8113 -0.2535 0.046 Uiso 1 1 calc R U H24B H -0.1188 0.8661 -0.2208 0.046 Uiso 1 1 calc R U H24C H -0.1005 0.6972 -0.1486 0.046 Uiso 1 1 calc R U loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 O1 0.0361(14) 0.0305(12) 0.0343(12) -0.0078(10) -0.0118(11) -0.0037(10) O2 0.0292(13) 0.0282(11) 0.0365(12) -0.0121(10) -0.0112(10) -0.0007(9) O3 0.0342(14) 0.0481(14) 0.0422(14) -0.0263(12) -0.0177(11) 0.0137(11) O4 0.0291(13) 0.0362(12) 0.0516(14) -0.0284(12) -0.0169(11) 0.0115(10) O5 0.067(2) 0.0436(15) 0.0361(14) -0.0204(12) -0.0072(13) -0.0032(13) O6 0.0458(17) 0.0502(16) 0.0572(17) -0.0271(14) -0.0072(13) 0.0139(13) O7 0.070(2) 0.0350(13) 0.0418(14) -0.0213(12) -0.0002(13) -0.0078(13) O8 0.0462(16) 0.0322(12) 0.0361(13) -0.0145(11) -0.0004(11) -0.0077(11) C1 0.0269(18) 0.0304(16) 0.0293(16) -0.0142(14) -0.0079(13) 0.0048(13) C2 0.0260(17) 0.0262(15) 0.0306(16) -0.0131(13) -0.0048(13) 0.0046(13) C3 0.0232(17) 0.0282(16) 0.0337(17) -0.0152(14) -0.0078(13) 0.0027(13) C4 0.035(2) 0.0332(17) 0.0388(19) -0.0132(15) -0.0149(16) 0.0017(15) C5 0.034(2) 0.0291(17) 0.0376(18) -0.0111(15) -0.0120(15) 0.0005(14) C6 0.044(2) 0.0329(18) 0.041(2) -0.0121(16) -0.0148(17) -0.0010(16) C7 0.0331(19) 0.0281(16) 0.0315(17) -0.0131(14) -0.0097(14) -0.0001(14) C8 0.0255(17) 0.0260(15) 0.0321(16) -0.0152(13) -0.0070(13) 0.0034(13) C9 0.0238(17) 0.0257(15) 0.0344(17) -0.0155(14) -0.0074(13) 0.0043(12) C10 0.0260(17) 0.0241(15) 0.0299(16) -0.0101(13) -0.0062(13) -0.0010(12) C11 0.0289(18) 0.0282(16) 0.0350(17) -0.0173(14) -0.0095(14) 0.0003(13) C12 0.0275(18) 0.0252(15) 0.0365(17) -0.0143(14) -0.0072(14) -0.0001(13) C13 0.0260(18) 0.0306(17) 0.0353(17) -0.0144(14) -0.0081(14) 0.0023(13) C14 0.0291(18) 0.0376(18) 0.0329(17) -0.0194(15) -0.0086(14) 0.0010(14) C15 0.0268(17) 0.0299(16) 0.0338(17) -0.0171(14) -0.0045(14) -0.0002(13) C16 0.039(2) 0.0371(19) 0.047(2) -0.0190(17) -0.0100(17) 0.0018(16) C17 0.037(2) 0.0318(17) 0.0274(16) -0.0149(14) -0.0075(14) 0.0051(14) C18 0.046(3) 0.077(3) 0.070(3) -0.035(3) -0.024(2) 0.017(2) C19 0.042(3) 0.092(4) 0.069(3) -0.045(3) -0.006(2) -0.001(2) C20 0.0272(18) 0.0339(17) 0.0347(17) -0.0165(15) -0.0084(14) 0.0022(14) C21 0.048(2) 0.0346(19) 0.038(2) -0.0115(16) -0.0031(17) -0.0125(17) C22 0.052(3) 0.0340(19) 0.045(2) -0.0178(17) -0.0033(18) -0.0012(17) C23 0.045(2) 0.0287(17) 0.0317(17) -0.0090(14) -0.0137(16) -0.0009(15) C24 0.034(2) 0.045(2) 0.0369(18) -0.0187(16) -0.0141(16) 0.0048(16) loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle C2 O1 C23 116.5(2) C3 O2 H2 109.5 C13 O3 C24 117.9(3) C12 O4 H4A 109.5 C17 O6 C18 112.5(3) C20 O8 C21 117.7(3) C9 C1 C2 118.8(3) C9 C1 H1 120.6 C2 C1 H1 120.6 O1 C2 C1 126.1(3) O1 C2 C3 113.7(3) C1 C2 C3 120.2(3) C4 C3 O2 119.9(3) C4 C3 C2 120.8(3) O2 C3 C2 119.3(3) C3 C4 C5 119.0(3) C3 C4 H4 120.5 C5 C4 H4 120.5 C4 C5 C9 120.0(3) C4 C5 C6 129.0(3) C9 C5 C6 111.0(3) C16 C6 C5 111.4(3) C16 C6 C7 115.3(3) C5 C6 C7 101.1(3) C16 C6 H6 109.6 C5 C6 H6 109.6 C7 C6 H6 109.6 C20 C7 C8 114.9(3) C20 C7 C6 113.5(3) C8 C7 C6 107.6(3) C20 C7 H7 106.8 C8 C7 H7 106.8 C6 C7 H7 106.8 C10 C8 C9 113.1(2) C10 C8 C7 114.6(3) C9 C8 C7 101.2(2) C10 C8 H8 109.2 C9 C8 H8 109.2 C7 C8 H8 109.2 C1 C9 C5 121.2(3) C1 C9 C8 127.2(3) C5 C9 C8 111.5(3) C15 C10 C11 118.3(3) C15 C10 C8 121.8(3) C11 C10 C8 119.9(3) C12 C11 C10 121.1(3) C12 C11 H11 119.4 C10 C11 H11 119.4 C11 C12 O4 118.4(3) C11 C12 C13 120.4(3) O4 C12 C13 121.1(3) O3 C13 C14 126.3(3) O3 C13 C12 114.5(3) C14 C13 C12 119.2(3) C13 C14 C15 120.0(3) C13 C14 H14 120.0 C15 C14 H14 120.0 C10 C15 C14 120.9(3) C10 C15 H15 119.5 C14 C15 H15 119.5 C6 C16 C17 113.0(3) C6 C16 H16A 109.0 C17 C16 H16A 109.0 C6 C16 H16B 109.0 C17 C16 H16B 109.0 H16A C16 H16B 107.8 O5 C17 O6 124.5(3) O5 C17 C16 124.4(3) O6 C17 C16 111.1(3) C19 C18 O6 109.2(4) C19 C18 H18A 109.8 O6 C18 H18A 109.8 C19 C18 H18B 109.8 O6 C18 H18B 109.8 H18A C18 H18B 108.3 C18 C19 H19A 109.5 C18 C19 H19B 109.5 H19A C19 H19B 109.5 C18 C19 H19C 109.5 H19A C19 H19C 109.5 H19B C19 H19C 109.5 O7 C20 O8 124.1(3) O7 C20 C7 126.6(3) O8 C20 C7 109.2(3) O8 C21 C22 110.1(3) O8 C21 H21A 109.6 C22 C21 H21A 109.6 O8 C21 H21B 109.6 C22 C21 H21B 109.6 H21A C21 H21B 108.2 C21 C22 H22A 109.5 C21 C22 H22B 109.5 H22A C22 H22B 109.5 C21 C22 H22C 109.5 H22A C22 H22C 109.5 H22B C22 H22C 109.5 O1 C23 H23A 109.5 O1 C23 H23B 109.5 H23A C23 H23B 109.5 O1 C23 H23C 109.5 H23A C23 H23C 109.5 H23B C23 H23C 109.5 O3 C24 H24A 109.5 O3 C24 H24B 109.5 H24A C24 H24B 109.5 O3 C24 H24C 109.5 H24A C24 H24C 109.5 H24B C24 H24C 109.5 loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance O1 C2 1.368(4) O1 C23 1.425(4) O2 C3 1.379(4) O2 H2 0.8400 O3 C13 1.368(4) O3 C24 1.431(4) O4 C12 1.380(4) O4 H4A 0.8400 O5 C17 1.219(4) O6 C17 1.315(4) O6 C18 1.532(5) O7 C20 1.194(4) O8 C20 1.347(4) O8 C21 1.460(4) C1 C9 1.383(4) C1 C2 1.384(4) C1 H1 0.9500 C2 C3 1.404(4) C3 C4 1.378(5) C4 C5 1.392(5) C4 H4 0.9500 C5 C9 1.393(5) C5 C6 1.528(5) C6 C16 1.503(5) C6 C7 1.553(5) C6 H6 1.0000 C7 C20 1.508(4) C7 C8 1.547(4) C7 H7 1.0000 C8 C10 1.517(4) C8 C9 1.524(4) C8 H8 1.0000 C10 C15 1.390(4) C10 C11 1.399(5) C11 C12 1.376(5) C11 H11 0.9500 C12 C13 1.400(5) C13 C14 1.387(5) C14 C15 1.400(5) C14 H14 0.9500 C15 H15 0.9500 C16 C17 1.514(5) C16 H16A 0.9900 C16 H16B 0.9900 C18 C19 1.522(7) C18 H18A 0.9900 C18 H18B 0.9900 C19 H19A 0.9800 C19 H19B 0.9800 C19 H19C 0.9800 C21 C22 1.496(6) C21 H21A 0.9900 C21 H21B 0.9900 C22 H22A 0.9800 C22 H22B 0.9800 C22 H22C 0.9800 C23 H23A 0.9800 C23 H23B 0.9800 C23 H23C 0.9800 C24 H24A 0.9800 C24 H24B 0.9800 C24 H24C 0.9800 loop_ _geom_torsion_atom_site_label_1 _geom_torsion_atom_site_label_2 _geom_torsion_atom_site_label_3 _geom_torsion_atom_site_label_4 _geom_torsion C23 O1 C2 C1 13.6(5) C23 O1 C2 C3 -165.2(3) C9 C1 C2 O1 -178.5(3) C9 C1 C2 C3 0.2(5) O1 C2 C3 C4 176.8(3) C1 C2 C3 C4 -2.1(5) O1 C2 C3 O2 -0.6(4) C1 C2 C3 O2 -179.4(3) O2 C3 C4 C5 178.9(3) C2 C3 C4 C5 1.5(5) C3 C4 C5 C9 0.8(5) C3 C4 C5 C6 -179.9(4) C4 C5 C6 C16 -72.8(5) C9 C5 C6 C16 106.6(4) C4 C5 C6 C7 164.2(4) C9 C5 C6 C7 -16.4(4) C16 C6 C7 C20 34.6(4) C5 C6 C7 C20 154.9(3) C16 C6 C7 C8 -93.7(3) C5 C6 C7 C8 26.6(4) C20 C7 C8 C10 83.9(4) C6 C7 C8 C10 -148.6(3) C20 C7 C8 C9 -154.1(3) C6 C7 C8 C9 -26.6(3) C2 C1 C9 C5 2.2(5) C2 C1 C9 C8 179.8(3) C4 C5 C9 C1 -2.7(5) C6 C5 C9 C1 177.9(3) C4 C5 C9 C8 179.3(3) C6 C5 C9 C8 -0.1(4) C10 C8 C9 C1 -38.2(4) C7 C8 C9 C1 -161.2(3) C10 C8 C9 C5 139.6(3) C7 C8 C9 C5 16.6(3) C9 C8 C10 C15 121.3(3) C7 C8 C10 C15 -123.5(3) C9 C8 C10 C11 -56.3(4) C7 C8 C10 C11 59.0(4) C15 C10 C11 C12 0.0(5) C8 C10 C11 C12 177.7(3) C10 C11 C12 O4 -179.5(3) C10 C11 C12 C13 -1.9(5) C24 O3 C13 C14 -7.2(5) C24 O3 C13 C12 172.1(3) C11 C12 C13 O3 -176.5(3) O4 C12 C13 O3 1.0(4) C11 C12 C13 C14 2.8(5) O4 C12 C13 C14 -179.7(3) O3 C13 C14 C15 177.3(3) C12 C13 C14 C15 -2.0(5) C11 C10 C15 C14 0.8(5) C8 C10 C15 C14 -176.8(3) C13 C14 C15 C10 0.2(5) C5 C6 C16 C17 74.4(4) C7 C6 C16 C17 -171.1(3) C18 O6 C17 O5 0.0(5) C18 O6 C17 C16 -178.7(3) C6 C16 C17 O5 20.4(5) C6 C16 C17 O6 -160.8(3) C17 O6 C18 C19 -80.9(4) C21 O8 C20 O7 3.7(5) C21 O8 C20 C7 -174.8(3) C8 C7 C20 O7 24.7(5) C6 C7 C20 O7 -99.7(4) C8 C7 C20 O8 -156.8(3) C6 C7 C20 O8 78.8(4) C20 O8 C21 C22 93.2(4)