#------------------------------------------------------------------------------ #$Date: 2020-04-22 23:31:27 +0300 (Wed, 22 Apr 2020) $ #$Revision: 251050 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/55/78/1557856.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_1557856 loop_ _publ_author_name 'Wang, Meng' 'Du, Jiao-Xian' 'Hui-Xiang, Yang' 'Dai, Quan' 'Liu, Ya-Pei' 'He, Juan' 'Wang, Yi' 'Li, Zheng-Hui' 'Feng, Tao' 'Liu, Ji-Kai' _publ_section_title ; Sesquiterpenoids from Cultures of the Basidiomycetes Irpex lacteus. ; _journal_name_full 'Journal of natural products' _journal_paper_doi 10.1021/acs.jnatprod.9b01177 _journal_year 2020 _chemical_absolute_configuration ad _chemical_formula_sum 'C16 H24 O6' _chemical_formula_weight 312.35 _space_group_crystal_system monoclinic _space_group_IT_number 4 _space_group_name_Hall 'P 2yb' _space_group_name_H-M_alt 'P 1 21 1' _atom_sites_solution_hydrogens geom _cell_angle_alpha 90 _cell_angle_beta 101.5780(10) _cell_angle_gamma 90 _cell_formula_units_Z 2 _cell_length_a 7.2833(4) _cell_length_b 11.5034(6) _cell_length_c 9.4902(5) _cell_measurement_reflns_used 9674 _cell_measurement_temperature 151.(2) _cell_measurement_theta_max 79.1592 _cell_measurement_theta_min 3.8426 _cell_volume 778.94(7) _computing_cell_refinement 'SAINT V8.38A (Bruker AXS Inc., 2017)' _computing_data_reduction 'SAINT V8.38A (Bruker AXS Inc., 2017)' _computing_molecular_graphics 'shelXle (C.B. Huebschle, rev 833)' _computing_structure_refinement 'SHELXL-2016/6 (Sheldrick, 2016)' _computing_structure_solution 'SHELXT 2014/5 (Sheldrick, 2014)' _diffrn_ambient_temperature 151.(2) _diffrn_detector_area_resol_mean 7.3910 _diffrn_measured_fraction_theta_full 0.982 _diffrn_measured_fraction_theta_max 0.982 _diffrn_measurement_device_type 'Bruker APEX-II CCD' _diffrn_measurement_method '\f and \w scans' _diffrn_radiation_type 'Cu K\a' _diffrn_radiation_wavelength 1.54178 _diffrn_reflns_av_R_equivalents 0.0302 _diffrn_reflns_av_unetI/netI 0.0166 _diffrn_reflns_limit_h_max 9 _diffrn_reflns_limit_h_min -9 _diffrn_reflns_limit_k_max 14 _diffrn_reflns_limit_k_min -14 _diffrn_reflns_limit_l_max 12 _diffrn_reflns_limit_l_min -12 _diffrn_reflns_number 28735 _diffrn_reflns_theta_full 79.15 _diffrn_reflns_theta_max 79.15 _diffrn_reflns_theta_min 6.20 _exptl_absorpt_coefficient_mu 0.842 _exptl_absorpt_correction_T_max 0.83 _exptl_absorpt_correction_T_min 0.74 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details ; SADABS-2016/2 - Bruker AXS area detector scaling and absorption correction ; _exptl_crystal_colour 'light colourless' _exptl_crystal_density_diffrn 1.332 _exptl_crystal_density_method 'not measured' _exptl_crystal_description BLOCK _exptl_crystal_F_000 336 _exptl_crystal_size_max 0.238 _exptl_crystal_size_mid 0.229 _exptl_crystal_size_min 0.228 _refine_diff_density_max 0.197 _refine_diff_density_min -0.160 _refine_ls_abs_structure_details ; Flack x determined using 1505 quotients [(I+)-(I-)]/[(I+)+(I-)] (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259). ; _refine_ls_abs_structure_Flack 0.06(3) _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.022 _refine_ls_hydrogen_treatment mixed _refine_ls_matrix_type full _refine_ls_number_parameters 209 _refine_ls_number_reflns 3255 _refine_ls_number_restraints 1 _refine_ls_restrained_S_all 1.022 _refine_ls_R_factor_all 0.0245 _refine_ls_R_factor_gt 0.0245 _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^)+(0.0378P)^2^+0.1175P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0623 _refine_ls_wR_factor_ref 0.0623 _reflns_number_gt 3247 _reflns_number_total 3255 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file np9b01177_si_003.cif _cod_data_source_block lml182 _cod_depositor_comments ; The following automatic conversions were performed: data item '_exptl_absorpt_correction_type' value 'Multi-Scan' was changed to 'multi-scan' in accordance with the /home/data/users/saulius/crontab/automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic dictionary named 'cif_core.dic' version 2.4.2 last updated on 2011-04-26. Automatic conversion script Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas ; _cod_database_code 1557856 _shelx_res_file ; TITL LML182_0m_a.res in P2(1) LML182_0m.res created by SHELXL-2016/6 at 08:57:57 on 27-May-2019 CELL 1.54178 7.2833 11.5034 9.4902 90.000 101.578 90.000 ZERR 2.00 0.0004 0.0006 0.0005 0.000 0.001 0.000 LATT -1 SYMM -x, y+1/2, -z SFAC C H O UNIT 32 48 12 LIST 6 ! automatically inserted. Change 6 to 4 for CHECKCIF!! TEMP -122.000 SIZE 0.228 0.229 0.238 ACTA L.S. 10 FMAP 2 PLAN -4 0 0.00 HTAB BOND $H CONF omit 5 8 2 omit 5 10 2 omit 2 12 3 omit 5 6 1 omit 5 9 2 WGHT 0.037800 0.117500 FVAR 1.64046 O1 3 0.685299 0.686008 0.628262 11.00000 0.02542 0.01382 = 0.02290 -0.00024 0.00494 0.00115 C1 1 0.699699 0.560372 0.634809 11.00000 0.02030 0.01333 = 0.01701 0.00148 0.00565 0.00095 C2 1 0.690370 0.501934 0.495629 11.00000 0.01541 0.01839 = 0.01615 0.00186 0.00377 -0.00002 O2 3 0.933928 0.242042 0.554606 11.00000 0.02712 0.01895 = 0.03048 0.00194 0.01124 0.00579 AFIX 148 H2 2 1.015906 0.299782 0.559313 11.00000 -1.50000 AFIX 0 O3 3 0.401095 0.554819 0.709611 11.00000 0.01881 0.01899 = 0.03127 -0.00270 0.00825 0.00119 AFIX 148 H3 2 0.398785 0.627685 0.724074 11.00000 -1.50000 AFIX 0 C3 1 0.705255 0.389019 0.467986 11.00000 0.01723 0.01816 = 0.01628 -0.00058 0.00507 -0.00100 C4 1 0.755933 0.287741 0.568190 11.00000 0.02156 0.01498 = 0.01897 0.00123 0.00607 0.00081 AFIX 13 H4 2 0.660062 0.225580 0.538238 11.00000 -1.20000 AFIX 0 O4 3 0.655950 0.481984 0.247999 11.00000 0.03701 0.02058 = 0.01510 0.00022 0.00689 -0.00083 C5 1 0.754728 0.319367 0.725027 11.00000 0.02487 0.01725 = 0.01712 0.00231 0.00369 0.00223 AFIX 23 H5A 2 0.862589 0.370886 0.761797 11.00000 -1.20000 H5B 2 0.770769 0.247574 0.783747 11.00000 -1.20000 AFIX 0 O5 3 0.679060 0.288230 0.239250 11.00000 0.03847 0.02121 = 0.02013 -0.00518 0.01031 -0.00446 C6 1 0.573027 0.380645 0.743355 11.00000 0.02335 0.01904 = 0.01587 0.00034 0.00751 -0.00164 AFIX 13 H6 2 0.475627 0.360771 0.656517 11.00000 -1.20000 AFIX 0 C8 1 0.696244 0.568376 0.890015 11.00000 0.02769 0.03060 = 0.01749 -0.00525 0.00882 -0.00847 AFIX 23 H8A 2 0.612082 0.623182 0.926701 11.00000 -1.20000 H8B 2 0.732022 0.506267 0.962540 11.00000 -1.20000 AFIX 0 C7 1 0.590979 0.513928 0.746164 11.00000 0.01852 0.01813 = 0.01699 -0.00096 0.00649 -0.00076 C10 1 0.857679 0.634044 0.705436 11.00000 0.02136 0.01541 = 0.01976 -0.00120 0.00615 -0.00143 AFIX 13 H10 2 0.973500 0.638588 0.664199 11.00000 -1.20000 AFIX 0 C9 1 0.874481 0.633690 0.867688 11.00000 0.02130 0.02147 = 0.01901 -0.00265 0.00487 -0.00266 C11 1 0.661826 0.569360 0.358276 11.00000 0.02897 0.01777 = 0.01635 0.00151 0.00557 0.00093 AFIX 23 H11A 2 0.542928 0.613632 0.343352 11.00000 -1.20000 H11B 2 0.766609 0.624238 0.358564 11.00000 -1.20000 AFIX 0 C1W 1 0.156739 0.458325 0.385895 11.00000 0.02829 0.02944 = 0.05333 -0.00724 0.00562 -0.00134 AFIX 137 H1WA 2 0.062523 0.414642 0.318070 11.00000 -1.50000 H1WB 2 0.282366 0.433572 0.376222 11.00000 -1.50000 H1WC 2 0.141734 0.541605 0.364985 11.00000 -1.50000 AFIX 0 O1W 3 0.133045 0.436884 0.528019 11.00000 0.02804 0.03637 = 0.05163 -0.00632 0.00242 -0.01017 AFIX 148 H1W 2 0.212340 0.477005 0.586870 11.00000 -1.50000 AFIX 0 C15 1 0.880675 0.757842 0.926962 11.00000 0.03266 0.02216 = 0.02583 -0.00645 0.00581 -0.00282 AFIX 137 H15A 2 0.992243 0.797678 0.908147 11.00000 -1.50000 H15B 2 0.885611 0.755237 1.030871 11.00000 -1.50000 H15C 2 0.768133 0.800013 0.879776 11.00000 -1.50000 AFIX 0 C14 1 1.055114 0.570410 0.936357 11.00000 0.02743 0.03026 = 0.02563 -0.00072 0.00106 0.00144 AFIX 137 H14A 2 1.056493 0.493137 0.893102 11.00000 -1.50000 H14B 2 1.061116 0.562435 1.039993 11.00000 -1.50000 H14C 2 1.163422 0.615128 0.919956 11.00000 -1.50000 AFIX 0 C13 1 0.500395 0.335396 0.873969 11.00000 0.04193 0.02396 = 0.02521 0.00115 0.01843 -0.00458 AFIX 137 H13A 2 0.391407 0.381310 0.886367 11.00000 -1.50000 H13B 2 0.599359 0.342317 0.960325 11.00000 -1.50000 H13C 2 0.463991 0.253638 0.858704 11.00000 -1.50000 AFIX 0 C12 1 0.679695 0.375533 0.310868 11.00000 0.02156 0.02037 = 0.01806 -0.00006 0.00619 -0.00252 HKLF 4 1 1 0 0 0 1 0 0 0 1 REM LML182_0m_a.res in P2(1) REM R1 = 0.0245 for 3247 Fo > 4sig(Fo) and 0.0245 for all 3255 data REM 209 parameters refined using 1 restraints END WGHT 0.0388 0.0993 REM Instructions for potential hydrogen bonds EQIV $1 x+1, y, z HTAB O2 O1W_$1 EQIV $2 -x+1, y+1/2, -z+1 HTAB O3 O5_$2 EQIV $3 -x+2, y+1/2, -z+1 HTAB C10 O2_$3 HTAB C11 O2_$3 HTAB C1W O2_$2 HTAB O1W O3 REM Highest difference peak 0.197, deepest hole -0.160, 1-sigma level 0.034 Q1 1 0.8640 0.6320 0.7872 11.00000 0.05 0.20 Q2 1 0.6527 0.5397 0.8140 11.00000 0.05 0.18 Q3 1 0.6533 0.5352 0.6907 11.00000 0.05 0.18 Q4 1 0.7541 0.3065 0.6425 11.00000 0.05 0.17 ; _shelx_res_checksum 70554 _shelx_hkl_file ; 1 0 0 1169.28 33.10 1 0 0 1104.29 34.40 1 0 0 1135.09 33.20 1 0 0 951.60 46.00 -1 0 0 1066.29 34.40 -1 0 0 1093.69 33.50 -1 0 0 1073.09 32.80 2 0 0 4251.57 133.99 2 0 0 4600.74 139.49 2 0 0 4635.74 134.09 2 0 0 4207.38 164.58 -2 0 0 4571.14 137.49 -3 0 0 3380.06 101.29 3 0 0 2996.50 143.19 -3 0 0 3590.84 108.69 3 0 0 3413.16 102.49 3 0 0 3379.76 107.49 3 0 0 3239.98 103.59 -3 0 0 3501.05 101.49 4 0 0 1674.93 53.49 -4 0 0 1599.54 52.79 4 0 0 1701.93 62.49 -4 0 0 1698.43 55.49 -4 0 0 1689.93 52.09 -5 0 0 2017.20 65.09 5 0 0 1920.31 67.49 5 0 0 2164.68 65.79 5 0 0 2074.09 64.89 -5 0 0 2038.60 68.89 -5 0 0 2065.59 62.49 -6 0 0 117.49 5.10 -6 0 0 109.89 5.40 6 0 0 107.59 7.80 -6 0 0 119.59 4.60 6 0 0 111.89 7.70 6 0 0 125.29 7.00 6 0 0 108.89 11.80 6 0 0 91.99 7.90 7 0 0 396.96 16.00 7 0 0 373.26 14.10 7 0 0 380.16 15.00 -7 0 0 371.76 12.80 -7 0 0 351.86 14.50 -7 0 0 365.66 13.30 7 0 0 340.07 19.10 7 0 0 365.76 14.30 7 0 0 345.27 22.10 -7 0 0 364.46 12.80 -7 0 0 375.16 12.60 7 0 0 380.66 17.60 -8 0 0 87.19 5.10 -8 0 0 94.19 3.70 8 0 0 95.19 4.60 -8 0 0 98.79 3.60 8 0 0 85.09 5.70 -8 0 0 89.49 4.40 8 0 0 98.29 8.20 8 0 0 100.09 5.80 9 0 0 2.60 0.50 -9 0 0 2.40 0.50 -9 0 0 2.10 0.40 0 -1 0 2.30 0.40 0 1 0 1.50 0.20 0 1 0 1.40 0.20 -3 -1 0 1736.93 54.59 -3 -1 0 1678.43 51.69 3 -1 0 1634.04 52.89 -3 -1 0 1725.93 52.49 -3 -1 0 1677.83 57.79 -3 1 0 1707.73 53.69 -3 1 0 1686.43 58.59 3 1 0 1744.83 52.69 3 1 0 1582.74 92.69 3 1 0 1744.63 57.09 3 1 0 1683.03 52.99 -3 1 0 1662.03 51.79 -3 1 0 1711.63 52.19 -3 1 0 1686.93 52.49 3 1 0 1696.23 53.59 4 -1 0 1862.11 66.99 -4 -1 0 2047.70 63.49 -4 -1 0 2079.79 66.89 4 -1 0 2062.59 63.99 4 1 0 1859.31 116.29 -4 1 0 2024.40 62.99 4 1 0 2125.09 64.39 -4 1 0 2109.39 63.19 4 1 0 2015.80 65.89 -4 1 0 2113.39 65.89 4 1 0 2058.69 71.09 5 -1 0 1260.57 43.20 -5 -1 0 1279.67 39.00 5 -1 0 1230.68 41.10 -5 -1 0 1294.17 39.60 -5 -1 0 1297.97 46.10 -5 -1 0 1254.17 41.30 5 -1 0 1369.26 41.90 -5 -1 0 1283.57 40.10 5 -1 0 1167.68 49.00 5 1 0 1103.99 44.00 5 1 0 1321.27 42.60 -5 1 0 1267.67 39.20 5 1 0 1214.68 41.40 -5 1 0 1292.47 42.20 -5 1 0 1253.87 40.80 -6 -1 0 845.72 29.00 6 -1 0 777.32 27.50 6 -1 0 875.11 30.30 6 -1 0 827.42 37.70 6 -1 0 888.01 29.60 -6 -1 0 802.72 34.80 6 -1 0 835.62 29.70 -6 -1 0 841.42 26.60 6 -1 0 834.92 32.50 -6 -1 0 849.12 27.40 6 -1 0 845.52 28.40 -6 1 0 820.22 26.90 -6 1 0 824.82 26.80 -6 1 0 837.22 30.50 6 1 0 817.42 29.50 6 1 0 770.42 32.70 6 1 0 781.62 38.70 -6 1 0 837.52 27.70 -6 1 0 778.72 25.70 6 1 0 739.83 31.20 7 -1 0 210.48 8.70 -7 -1 0 219.58 8.30 7 -1 0 225.68 11.20 7 -1 0 216.98 16.10 7 -1 0 225.28 10.10 -7 -1 0 214.48 8.00 7 -1 0 233.38 14.60 7 -1 0 211.38 9.30 -7 -1 0 225.78 8.40 7 -1 0 200.78 10.30 -7 -1 0 220.58 8.90 7 -1 0 215.98 9.70 -7 -1 0 212.18 10.00 7 1 0 240.38 11.20 7 1 0 217.28 13.90 7 1 0 206.28 16.90 -7 1 0 220.18 8.40 7 1 0 237.98 12.70 7 1 0 240.58 12.40 -7 1 0 205.28 7.80 -7 1 0 212.98 8.20 -7 1 0 209.88 9.80 7 1 0 210.68 9.90 -8 -1 0 20.30 1.30 8 -1 0 23.00 1.90 -8 -1 0 19.90 1.40 -8 -1 0 20.60 2.20 8 1 0 27.80 3.60 8 1 0 22.80 2.40 -8 1 0 20.60 2.20 8 1 0 20.00 2.60 8 1 0 20.80 2.90 -8 1 0 17.10 1.70 -8 1 0 19.30 1.20 -8 1 0 21.20 1.60 9 -1 0 130.19 4.80 -9 -1 0 99.79 4.80 9 1 0 123.19 4.30 -9 1 0 134.79 4.50 0 -2 0 1362.76 40.10 0 2 0 1307.87 39.30 0 2 0 1218.48 39.30 -1 -2 0 2232.08 72.99 1 2 0 2410.06 73.69 1 2 0 2478.65 72.49 -2 -2 0 148.39 6.70 -2 -2 0 126.79 7.40 2 -2 0 107.29 6.90 -2 -2 0 127.09 5.20 2 -2 0 146.29 5.00 -2 -2 0 117.49 6.90 2 2 0 122.19 5.70 2 2 0 125.19 7.40 -2 2 0 126.79 8.30 -2 2 0 157.98 6.60 -2 2 0 127.19 5.70 2 2 0 123.39 5.10 3 -2 0 700.83 23.10 3 -2 0 637.84 26.60 3 -2 0 704.03 24.00 -3 -2 0 716.13 23.00 -3 -2 0 711.63 27.60 -3 -2 0 726.63 25.60 -3 2 0 704.63 22.80 3 2 0 715.63 23.60 -3 2 0 709.83 23.00 -3 2 0 708.33 23.80 3 2 0 713.83 24.00 3 2 0 668.83 57.09 3 2 0 712.53 27.30 3 2 0 696.03 23.70 -3 2 0 698.53 22.70 -3 2 0 744.63 30.70 -4 -2 0 1671.63 50.99 4 -2 0 1420.56 56.29 4 -2 0 1488.35 52.09 4 -2 0 1662.53 51.99 4 -2 0 1660.83 50.99 4 2 0 1560.74 106.29 4 2 0 1668.93 50.99 -4 2 0 1654.03 51.39 4 2 0 1750.72 53.19 -4 2 0 1640.84 50.59 4 2 0 1543.15 52.79 -4 2 0 1683.83 50.69 -4 2 0 1695.23 50.99 4 2 0 1722.23 51.99 4 2 0 1369.66 53.39 4 2 0 1617.94 58.39 -4 2 0 1619.14 50.49 -5 -2 0 160.88 11.00 5 -2 0 121.99 27.50 5 -2 0 173.48 8.30 5 -2 0 152.78 12.20 5 -2 0 154.38 12.20 -5 -2 0 173.28 6.00 5 -2 0 154.28 7.50 -5 -2 0 168.18 6.60 5 -2 0 161.78 7.50 5 -2 0 157.48 7.60 5 -2 0 163.48 8.70 -5 -2 0 158.18 7.60 -5 -2 0 181.78 8.10 -5 -2 0 160.98 6.70 -5 -2 0 154.98 7.00 5 2 0 136.89 9.40 -5 2 0 157.48 6.70 5 2 0 148.69 7.90 -5 2 0 162.48 7.70 -5 2 0 165.38 7.80 5 2 0 152.58 8.40 -6 -2 0 83.69 5.30 6 -2 0 81.49 5.80 -6 -2 0 76.89 4.50 -6 -2 0 74.99 3.60 -6 -2 0 85.99 8.30 6 -2 0 75.99 9.50 6 -2 0 78.19 9.00 -6 -2 0 78.59 5.40 6 -2 0 99.89 26.10 6 -2 0 76.19 4.80 -6 -2 0 78.19 3.60 6 -2 0 75.79 4.80 6 -2 0 76.59 6.80 6 -2 0 75.49 5.20 6 2 0 67.09 6.80 -6 2 0 76.79 4.00 6 2 0 75.59 5.20 6 2 0 67.19 6.70 -6 2 0 72.39 4.40 -6 2 0 70.09 6.10 -6 2 0 91.89 4.40 7 -2 0 176.48 10.00 7 -2 0 163.78 12.60 7 -2 0 160.08 7.10 -7 -2 0 172.88 6.20 7 -2 0 157.88 7.50 -7 -2 0 169.98 9.90 -7 -2 0 163.78 7.30 7 -2 0 163.28 7.60 7 -2 0 162.58 7.90 -7 -2 0 158.78 6.20 7 -2 0 192.48 9.90 -7 -2 0 162.28 6.50 -7 -2 0 155.28 6.30 7 2 0 155.88 10.70 7 2 0 144.29 14.30 -7 2 0 159.68 6.50 7 2 0 163.58 9.10 7 2 0 170.18 9.80 7 2 0 158.18 7.50 -7 2 0 164.98 6.00 -7 2 0 160.68 6.50 -8 -2 0 55.59 4.50 -8 -2 0 52.79 2.20 -8 -2 0 60.19 2.60 -8 -2 0 56.59 3.00 8 -2 0 59.79 4.20 8 -2 0 53.09 3.60 -8 -2 0 57.79 2.40 -8 2 0 52.39 3.60 8 2 0 66.19 5.20 8 2 0 55.69 3.10 8 2 0 61.79 5.70 -8 2 0 52.99 2.90 8 2 0 57.59 4.40 -9 -2 0 25.30 1.80 -9 2 0 27.50 1.20 1 3 0 5651.63 170.88 -2 -3 0 1974.70 63.69 -2 -3 0 2048.90 61.39 2 -3 0 2092.09 61.79 2 -3 0 1863.81 62.59 -2 -3 0 2028.40 64.29 -2 -3 0 1934.81 63.39 2 -3 0 2014.70 83.49 -2 -3 0 1983.10 61.29 2 3 0 2030.60 62.49 2 3 0 1930.71 60.29 -2 3 0 2059.29 61.79 -2 3 0 2025.60 61.19 2 3 0 1914.71 65.49 -2 3 0 2072.19 60.79 -2 3 0 2003.50 60.89 -3 -3 0 322.97 12.00 -3 -3 0 382.16 15.10 3 -3 0 335.17 11.50 3 -3 0 355.16 12.10 3 -3 0 310.57 14.50 -3 -3 0 306.17 15.10 3 -3 0 285.27 30.20 -3 3 0 347.47 11.90 -3 3 0 314.57 11.60 3 3 0 325.97 12.70 -3 3 0 332.47 13.10 3 3 0 329.77 12.90 -3 3 0 343.37 11.70 3 3 0 285.67 38.20 3 3 0 315.67 12.40 -3 3 0 356.96 12.20 3 3 0 329.27 16.10 4 -3 0 228.58 31.30 4 -3 0 263.87 12.60 4 -3 0 248.48 10.00 -4 -3 0 239.28 9.90 4 -3 0 240.48 9.70 -4 -3 0 263.97 13.60 4 -3 0 238.08 9.40 4 -3 0 230.98 13.40 4 3 0 265.37 12.00 -4 3 0 239.28 9.60 -4 3 0 248.28 10.20 4 3 0 251.57 11.30 4 3 0 240.68 10.00 4 3 0 233.98 39.30 -4 3 0 236.88 9.70 -4 3 0 248.88 10.90 4 3 0 248.68 11.20 -4 3 0 238.58 10.00 4 3 0 253.97 10.80 4 3 0 255.07 14.60 -4 3 0 238.08 9.70 -5 -3 0 91.49 3.90 5 -3 0 99.09 5.20 5 -3 0 90.49 5.30 -5 -3 0 91.29 4.40 5 -3 0 85.29 7.50 -5 -3 0 93.19 4.50 -5 -3 0 97.19 5.60 5 -3 0 85.89 5.00 5 -3 0 88.99 4.90 5 -3 0 116.59 24.70 -5 -3 0 83.59 7.90 5 -3 0 90.39 7.80 -5 -3 0 87.49 3.80 5 -3 0 87.09 5.00 -5 -3 0 93.09 4.30 -5 -3 0 91.69 4.90 5 -3 0 90.79 8.80 5 3 0 84.69 6.00 -5 3 0 86.49 5.20 5 3 0 71.49 29.10 5 3 0 85.49 5.50 -5 3 0 84.39 6.70 -5 3 0 88.09 4.50 -5 3 0 89.09 5.70 -5 3 0 88.09 4.20 -6 -3 0 222.28 9.50 -6 -3 0 210.58 8.40 -6 -3 0 231.48 9.00 6 -3 0 212.58 9.80 6 -3 0 236.98 9.70 6 -3 0 223.88 14.50 6 -3 0 260.57 39.10 -6 -3 0 233.48 8.20 -6 -3 0 218.98 8.00 -6 -3 0 214.98 15.00 -6 -3 0 239.18 10.60 -6 -3 0 231.78 8.70 6 -3 0 218.58 9.40 6 -3 0 223.38 9.40 6 -3 0 226.88 9.50 6 -3 0 227.38 11.90 -6 3 0 223.58 8.70 6 3 0 227.08 10.10 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61.39 3.60 2 -4 0 61.19 10.30 -2 -4 0 59.59 3.40 2 -4 0 63.49 4.00 -2 -4 0 60.09 4.90 -2 -4 0 62.19 4.70 -2 4 0 63.09 3.50 -2 4 0 63.09 3.40 -2 4 0 56.49 2.90 -2 4 0 59.79 3.10 2 4 0 55.49 5.30 -2 4 0 57.59 3.00 3 -4 0 1632.14 49.50 -3 -4 0 1540.85 50.09 -3 -4 0 1641.14 53.89 3 -4 0 1556.04 51.69 3 -4 0 1778.22 81.79 -3 4 0 1693.83 51.89 3 4 0 1492.25 49.80 -3 4 0 1637.64 49.60 -3 4 0 1587.64 50.09 -3 4 0 1607.44 49.70 -3 4 0 1670.13 50.09 3 4 0 1543.85 56.69 3 4 0 1330.27 96.69 -3 4 0 1592.94 49.50 3 4 0 1573.74 51.29 3 4 0 1527.55 49.80 -4 -4 0 620.14 21.90 -4 -4 0 617.84 26.40 4 -4 0 603.14 24.50 4 -4 0 699.63 53.39 -4 4 0 644.24 22.20 -4 4 0 633.24 22.00 4 4 0 627.94 23.00 4 4 0 561.34 65.29 4 4 0 638.84 22.70 -4 4 0 629.54 21.50 4 4 0 614.14 22.90 4 4 0 622.34 22.10 4 4 0 602.04 28.20 -4 4 0 618.64 23.20 -4 4 0 647.64 21.60 -4 4 0 616.54 21.60 -5 -4 0 25.40 2.10 -5 -4 0 29.60 4.80 -5 -4 0 31.70 2.70 -5 -4 0 30.80 2.20 -5 -4 0 28.70 1.70 5 -4 0 25.90 3.80 5 -4 0 30.00 5.00 5 -4 0 30.80 2.60 5 -4 0 38.50 14.20 -5 -4 0 33.00 2.30 -5 -4 0 31.40 1.90 -5 -4 0 32.50 3.10 -5 -4 0 30.00 1.70 5 -4 0 28.10 2.70 -5 -4 0 28.70 2.50 -5 4 0 31.40 2.90 -5 4 0 27.10 3.10 5 4 0 25.50 17.70 5 4 0 30.90 3.80 -5 4 0 27.20 3.30 5 4 0 29.00 3.50 5 4 0 29.20 3.20 -5 4 0 31.70 3.00 -5 4 0 36.10 2.50 -5 4 0 25.40 3.30 -5 4 0 28.40 2.90 -5 4 0 26.80 2.90 -6 -4 0 201.88 8.10 6 -4 0 187.98 8.90 -6 -4 0 201.88 7.40 -6 -4 0 200.48 7.90 -6 -4 0 208.08 9.80 6 -4 0 210.88 8.70 -6 -4 0 185.38 6.80 6 -4 0 198.98 8.60 -6 -4 0 203.68 8.90 -6 -4 0 193.48 7.00 -6 -4 0 205.38 7.90 6 4 0 166.38 11.40 6 4 0 202.18 9.00 -6 4 0 191.48 7.90 6 4 0 191.58 10.20 7 -4 0 181.58 7.50 7 -4 0 177.68 7.40 -7 -4 0 175.88 7.90 -7 -4 0 174.98 6.30 -7 -4 0 177.28 8.60 -7 -4 0 179.78 6.70 -7 4 0 187.78 7.40 7 4 0 173.28 8.70 -7 4 0 176.58 7.20 7 4 0 153.38 14.60 7 4 0 182.48 10.40 7 4 0 180.98 7.50 -8 -4 0 5.60 0.70 8 -4 0 5.30 0.80 -8 -4 0 6.20 1.10 8 -4 0 4.90 0.90 -8 -4 0 4.50 0.80 -8 -4 0 4.90 0.80 8 4 0 7.50 2.60 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5 0 707.63 26.00 3 5 0 642.54 65.79 -3 5 0 697.73 23.30 3 5 0 692.63 25.50 3 5 0 620.84 23.20 -3 5 0 680.83 23.30 3 5 0 685.43 23.20 4 -5 0 144.79 22.60 -4 -5 0 135.29 7.00 -4 -5 0 133.99 5.20 4 -5 0 142.59 6.50 4 -5 0 128.69 7.60 -4 -5 0 135.59 7.30 -4 -5 0 134.99 5.70 -4 -5 0 148.59 6.60 -4 -5 0 133.39 5.70 4 -5 0 124.09 7.70 -4 -5 0 124.59 6.20 -4 -5 0 122.89 5.20 4 -5 0 119.09 5.80 -4 -5 0 129.29 6.60 -4 -5 0 130.49 10.00 -4 -5 0 131.49 6.40 -4 5 0 136.79 6.70 -4 5 0 138.09 6.70 -4 5 0 139.09 8.10 4 5 0 120.69 31.10 4 5 0 133.89 7.20 4 5 0 138.49 7.40 4 5 0 130.19 7.30 4 5 0 137.39 11.00 -4 5 0 138.29 6.80 -4 5 0 142.49 7.00 -4 5 0 130.59 6.00 -5 -5 0 129.99 5.20 -5 -5 0 132.09 7.30 -5 -5 0 127.49 6.60 5 -5 0 120.39 5.90 -5 -5 0 130.99 8.00 -5 -5 0 121.39 6.60 -5 -5 0 127.69 5.90 -5 -5 0 122.09 4.90 5 -5 0 129.09 24.70 -5 -5 0 127.29 5.70 5 -5 0 132.69 6.40 -5 -5 0 123.99 5.40 -5 -5 0 131.79 5.90 -5 -5 0 131.89 10.90 5 -5 0 130.39 8.30 -5 5 0 129.09 8.60 -5 5 0 123.09 7.80 5 5 0 136.59 7.60 -5 5 0 140.59 7.40 -5 5 0 129.59 7.00 5 5 0 127.89 8.20 5 5 0 128.89 32.60 -5 5 0 143.09 6.40 -5 5 0 129.69 7.10 -5 5 0 129.39 7.00 5 5 0 126.19 8.30 -5 5 0 128.99 5.80 -6 -5 0 449.76 15.30 6 -5 0 465.65 16.40 -6 -5 0 472.35 18.20 -6 -5 0 484.35 17.30 -6 -5 0 481.25 16.30 6 -5 0 453.75 15.00 -6 -5 0 477.05 15.50 -6 -5 0 477.05 16.00 -6 -5 0 447.96 15.00 -6 -5 0 478.25 16.10 6 5 0 458.85 15.30 -6 5 0 491.45 16.90 6 5 0 459.65 16.80 6 5 0 424.36 20.50 6 5 0 493.55 19.00 -6 5 0 472.85 16.20 -6 5 0 428.76 17.60 -7 -5 0 18.40 2.00 7 -5 0 17.30 1.20 7 -5 0 17.30 1.70 7 -5 0 18.30 1.70 -7 -5 0 19.10 2.30 -7 -5 0 18.50 1.40 -7 -5 0 17.70 1.20 7 5 0 19.20 1.80 -7 5 0 19.00 1.70 7 5 0 18.30 3.80 7 5 0 10.20 3.20 7 5 0 15.70 5.60 -7 5 0 18.70 1.80 7 5 0 14.30 2.30 -8 -5 0 6.40 0.90 8 -5 0 6.80 0.70 -8 -5 0 6.90 1.10 -8 -5 0 7.30 0.70 8 5 0 8.80 2.30 -8 5 0 5.50 0.60 -8 5 0 7.00 0.80 0 -6 0 248.28 9.80 0 -6 0 240.48 10.40 0 -6 0 254.67 12.70 0 6 0 235.58 8.10 0 6 0 249.97 13.80 0 6 0 226.98 8.10 0 6 0 256.37 8.90 -1 -6 0 3170.88 99.39 -1 -6 0 3143.09 94.49 -1 -6 0 3004.90 96.59 1 -6 0 3072.39 94.59 1 -6 0 3016.50 97.79 1 6 0 3102.39 98.39 -1 6 0 3203.88 93.09 -1 6 0 3016.20 93.59 -1 6 0 3096.09 93.19 1 6 0 2924.61 92.69 1 6 0 3114.09 101.09 -2 -6 0 311.77 14.60 -2 -6 0 290.27 15.40 2 -6 0 300.77 13.70 -2 -6 0 313.17 12.00 2 -6 0 296.07 12.10 -2 -6 0 292.47 12.90 2 6 0 288.47 14.00 -2 6 0 305.67 11.00 -2 6 0 291.67 11.30 -2 6 0 309.67 11.20 -2 6 0 311.37 11.10 2 6 0 306.47 17.30 -2 6 0 301.87 11.60 -3 -6 0 1360.56 48.80 3 -6 0 1312.17 44.50 -3 -6 0 1322.97 44.20 -3 -6 0 1311.27 44.60 3 -6 0 1275.37 44.50 -3 6 0 1367.66 43.20 3 6 0 1358.46 53.49 3 6 0 1311.37 103.09 3 6 0 1242.18 42.60 -3 6 0 1447.26 43.40 3 6 0 1317.67 42.80 -3 6 0 1386.26 43.80 3 6 0 1463.95 47.20 -3 6 0 1424.16 46.40 -3 6 0 1377.96 43.40 -3 6 0 1384.56 44.00 -4 -6 0 157.18 6.40 -4 -6 0 160.48 6.80 4 -6 0 144.29 6.80 -4 -6 0 167.48 8.30 -4 -6 0 154.38 5.90 -4 -6 0 152.18 8.10 -4 -6 0 158.88 7.60 4 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0 108.19 6.60 -6 -6 0 115.39 4.60 -6 -6 0 113.19 5.30 6 -6 0 107.39 4.20 -6 -6 0 110.29 4.30 6 -6 0 113.79 4.60 6 -6 0 114.59 5.10 -6 -6 0 118.79 5.30 -6 -6 0 115.79 5.60 6 6 0 110.59 6.80 -6 6 0 108.99 5.20 -6 6 0 98.39 7.10 -6 6 0 119.49 7.70 6 6 0 95.49 7.60 -6 6 0 97.19 6.40 -7 -6 0 7.50 1.40 -7 -6 0 5.30 0.60 -7 -6 0 6.00 1.10 -7 -6 0 5.00 1.50 7 -6 0 7.20 0.70 -7 -6 0 5.60 0.70 7 -6 0 5.70 1.10 7 -6 0 5.40 0.80 -7 6 0 5.00 1.10 7 6 0 5.10 1.20 7 6 0 2.40 2.10 -7 6 0 7.00 1.00 7 6 0 1.20 2.00 7 6 0 3.60 1.80 8 -6 0 493.05 15.70 -8 -6 0 483.25 15.10 -8 -6 0 450.45 15.90 -8 -6 0 448.86 15.50 8 -6 0 514.05 15.30 8 6 0 511.65 17.50 -8 6 0 487.15 14.90 -8 6 0 488.15 15.30 -8 6 0 475.55 16.20 -1 -7 0 517.15 20.60 1 -7 0 517.95 18.50 -1 -7 0 510.55 22.90 1 -7 0 520.75 21.90 -1 -7 0 534.75 18.50 -1 7 0 486.15 17.40 -1 7 0 491.65 16.80 1 7 0 530.15 25.20 1 7 0 504.35 22.20 -1 7 0 498.75 17.30 1 7 0 491.25 15.90 1 7 0 465.05 16.10 -1 7 0 508.25 17.00 -1 7 0 505.25 16.90 1 7 0 480.75 18.60 2 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1835.02 58.99 -3 7 0 1849.61 62.09 4 -7 0 466.85 16.30 4 -7 0 457.25 19.20 -4 -7 0 460.75 15.60 -4 -7 0 488.55 16.40 -4 -7 0 493.15 16.10 -4 -7 0 487.55 15.80 -4 -7 0 481.05 15.80 4 -7 0 451.95 15.30 -4 -7 0 494.55 18.30 4 -7 0 466.75 15.70 -4 -7 0 495.75 18.60 4 -7 0 458.15 16.30 -4 -7 0 468.25 24.00 -4 -7 0 478.05 16.50 -4 -7 0 455.45 15.40 -4 -7 0 475.85 17.40 -4 -7 0 456.85 15.10 4 -7 0 451.85 15.60 -4 -7 0 472.35 17.50 4 -7 0 434.66 17.70 -4 -7 0 467.75 16.90 -4 -7 0 476.55 16.50 -4 7 0 480.65 19.70 -4 7 0 463.85 17.80 4 7 0 496.85 18.40 4 7 0 496.95 18.30 -4 7 0 473.95 17.70 4 7 0 462.25 18.40 -4 7 0 481.15 18.10 -4 7 0 442.46 17.80 -4 7 0 467.55 18.50 4 7 0 396.46 60.09 -4 7 0 445.06 16.60 -4 7 0 466.45 20.30 -5 -7 0 65.69 4.50 5 -7 0 60.99 2.90 -5 -7 0 70.39 4.10 -5 -7 0 64.49 3.20 -5 -7 0 66.69 3.70 -5 -7 0 62.49 2.90 -5 -7 0 74.49 4.00 5 -7 0 64.99 3.80 -5 -7 0 74.39 4.00 -5 -7 0 66.99 5.10 -5 -7 0 72.19 6.20 5 -7 0 64.49 3.30 -5 -7 0 66.39 5.00 5 -7 0 63.89 3.30 -5 7 0 65.59 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4.80 5 2 -9 86.39 5.10 -5 2 9 93.79 3.50 -5 2 9 95.19 3.90 -5 2 9 85.89 3.70 5 2 -9 88.19 4.80 5 2 -9 73.69 6.30 -4 -2 9 168.48 6.40 -4 -2 9 160.38 6.20 -4 -2 9 166.98 7.00 -4 -2 9 172.18 6.30 -4 -2 9 166.68 6.30 4 -2 -9 174.58 6.80 4 -2 -9 155.18 7.20 -4 -2 9 167.28 6.90 -4 -2 9 162.28 6.50 4 -2 -9 172.18 7.10 4 -2 -9 169.78 8.30 -4 2 9 170.38 6.00 4 2 -9 166.18 8.10 4 2 -9 172.98 7.80 4 2 -9 168.68 9.30 -4 2 9 171.28 6.50 4 2 -9 176.18 7.80 -4 2 9 171.78 6.80 4 2 -9 177.68 7.80 -4 2 9 175.38 7.60 4 2 -9 157.98 6.80 -3 -2 9 29.40 2.80 3 -2 -9 30.20 3.40 3 -2 -9 30.30 3.10 3 -2 -9 30.20 2.60 -3 -2 9 27.40 1.90 -3 -2 9 30.20 2.00 3 -2 -9 32.30 2.20 -3 -2 9 29.70 1.90 -3 2 9 34.40 2.00 3 2 -9 32.10 3.10 3 2 -9 33.60 3.30 -3 2 9 29.70 3.10 3 2 -9 30.40 2.70 3 2 -9 31.40 2.80 3 2 -9 29.20 2.70 2 -2 -9 11.30 1.30 -2 -2 9 12.40 1.80 -2 -2 9 13.00 1.20 -2 -2 9 11.40 1.10 -2 -2 9 12.00 1.70 2 -2 -9 12.20 1.50 2 -2 -9 12.50 2.00 -2 -2 9 11.70 1.50 -2 -2 9 10.20 1.20 2 2 -9 9.50 1.70 2 2 -9 12.40 1.90 2 2 -9 14.40 1.80 -2 2 9 12.20 2.30 2 2 -9 12.70 1.50 -2 2 9 12.80 1.20 -2 2 9 12.30 2.20 2 2 -9 12.40 2.40 2 2 -9 11.80 1.80 1 -2 -9 120.59 5.40 -1 -2 9 122.29 6.40 -1 -2 9 117.19 4.70 1 -2 -9 116.79 5.20 1 -2 -9 115.59 6.90 -1 -2 9 118.89 4.80 -1 -2 9 121.89 5.60 1 2 -9 111.79 5.40 1 2 -9 121.09 6.20 1 2 -9 122.29 7.60 1 2 -9 117.99 6.50 1 2 -9 117.59 6.50 1 2 -9 115.09 6.10 -1 2 9 124.09 6.50 -1 2 9 108.79 7.00 -1 2 9 109.69 4.80 0 -2 9 190.48 8.90 0 -2 9 203.28 7.70 0 -2 9 216.68 9.60 0 -2 -9 217.58 8.40 0 -2 9 194.48 7.20 0 2 -9 208.58 8.90 0 2 9 221.18 10.90 0 2 -9 208.08 9.30 0 2 -9 212.58 8.30 0 2 9 220.98 13.70 0 2 -9 211.58 9.00 0 2 -9 206.58 10.40 -1 -2 -9 37.50 2.40 -1 -2 -9 39.00 2.00 1 -2 9 38.60 2.40 1 -2 9 40.10 2.50 1 -2 9 38.40 3.40 1 -2 9 40.00 2.40 -1 2 -9 39.00 3.20 1 2 9 40.20 4.10 -1 2 -9 41.50 2.40 -1 2 -9 37.10 3.50 1 2 9 36.80 3.40 -1 2 -9 39.40 2.90 -2 -2 -9 55.89 2.80 -2 -2 -9 56.09 2.80 2 -2 9 55.99 2.80 2 -2 9 55.19 4.10 2 -2 9 57.19 2.70 -2 2 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8.40 -5 3 9 189.78 7.70 5 3 -9 186.88 8.00 5 3 -9 194.88 8.50 -5 3 9 187.88 6.30 -5 3 9 193.18 6.80 -5 3 9 182.38 6.70 -4 -3 9 99.49 4.30 4 -3 -9 96.49 4.80 -4 -3 9 96.19 4.20 -4 -3 9 94.69 4.10 -4 -3 9 100.49 4.20 -4 -3 9 100.29 4.20 -4 -3 9 102.49 4.80 4 -3 -9 96.59 4.50 4 -3 -9 100.49 4.70 -4 -3 9 98.99 4.30 4 3 -9 99.99 5.30 4 3 -9 105.99 5.40 4 3 -9 103.19 5.50 -4 3 9 97.49 5.20 -4 3 9 97.09 4.20 4 3 -9 100.49 5.70 -4 3 9 94.19 5.30 4 3 -9 97.49 4.50 4 3 -9 99.19 6.60 3 -3 -9 227.38 8.80 3 -3 -9 225.28 8.50 -3 -3 9 216.68 8.00 -3 -3 9 223.48 8.30 -3 -3 9 218.58 8.20 -3 -3 9 223.98 8.10 -3 -3 9 221.58 8.80 -3 -3 9 224.18 8.30 3 -3 -9 217.98 8.90 -3 -3 9 226.58 8.90 -3 -3 9 239.08 7.90 -3 3 9 222.98 9.50 3 3 -9 214.58 9.40 3 3 -9 225.18 10.10 3 3 -9 227.98 9.70 3 3 -9 217.98 8.60 3 3 -9 239.08 9.60 -3 3 9 229.08 10.20 3 3 -9 227.08 11.40 -2 -3 9 25.10 2.40 -2 -3 9 25.60 2.00 -2 -3 9 25.60 1.80 2 -3 -9 27.60 2.50 -2 -3 9 27.30 1.70 -2 -3 9 25.80 1.80 -2 -3 9 27.50 2.30 -2 3 9 26.70 1.70 2 3 -9 28.40 2.60 2 3 -9 26.80 3.70 2 3 -9 30.90 2.70 2 3 -9 28.80 2.60 -2 3 9 24.70 4.40 2 3 -9 29.70 2.90 1 -3 -9 51.59 4.00 1 -3 -9 53.39 3.70 -1 -3 9 52.19 3.10 -1 -3 9 58.49 4.30 -1 -3 9 51.19 2.70 -1 -3 9 54.99 3.40 -1 -3 9 50.59 3.40 1 3 -9 59.29 3.80 1 3 -9 55.29 3.80 -1 3 9 62.59 7.40 1 3 -9 59.99 3.90 1 3 -9 55.79 4.90 1 3 -9 54.69 3.80 1 3 -9 58.69 4.20 0 -3 9 195.88 7.30 0 -3 9 192.08 7.50 0 -3 9 194.08 6.90 0 -3 -9 192.38 7.50 0 -3 -9 196.98 7.50 0 -3 9 198.38 8.90 0 -3 9 193.18 7.80 0 3 -9 197.68 9.00 0 3 -9 194.98 8.60 0 3 -9 193.78 8.50 0 3 -9 193.78 10.00 0 3 9 197.08 10.20 0 3 -9 195.78 8.70 0 3 -9 198.48 7.80 0 3 9 198.28 9.10 1 -3 9 276.37 9.70 1 -3 9 271.47 9.80 1 -3 9 293.37 11.70 -1 -3 -9 276.47 9.80 1 -3 9 272.77 10.00 -1 -3 -9 269.67 9.70 -1 -3 -9 287.47 9.30 1 3 9 274.37 12.70 -1 3 -9 282.77 11.20 -1 3 -9 276.57 12.10 -1 3 -9 275.77 11.80 1 3 9 290.77 11.80 -1 3 -9 260.37 11.00 -1 3 -9 279.77 10.90 -1 3 -9 287.67 10.30 2 -3 9 7.10 0.70 -2 -3 -9 7.80 1.00 2 -3 9 8.80 1.00 -2 -3 -9 7.70 0.90 2 -3 9 7.00 0.90 2 -3 9 8.20 1.70 -2 -3 -9 8.00 1.00 2 3 9 7.20 2.20 -2 3 -9 9.70 1.20 -2 3 -9 7.10 1.10 -2 3 -9 7.00 1.40 2 3 9 6.30 1.70 -2 3 -9 6.20 1.40 -3 -3 -9 24.40 1.50 3 -3 9 21.50 1.30 -3 -3 -9 22.50 1.50 3 -3 9 22.60 2.20 -3 -3 -9 21.70 1.50 3 -3 9 21.10 1.10 3 3 9 26.50 2.40 3 3 9 23.20 2.50 -3 3 -9 23.20 1.50 -3 3 -9 24.70 1.70 4 -3 9 85.69 3.60 4 -3 9 80.09 2.80 4 -3 9 73.49 3.00 -4 -3 -9 83.49 3.00 -4 -3 -9 78.59 2.90 4 3 9 89.19 3.80 -6 -4 9 176.08 6.10 6 -4 -9 179.18 6.20 6 -4 -9 175.88 6.10 -6 -4 9 174.98 6.00 -6 -4 9 172.28 5.90 -6 -4 9 168.08 5.90 -6 4 9 173.98 6.00 6 4 -9 168.38 7.00 -6 4 9 171.48 6.60 6 4 -9 178.08 7.80 -5 -4 9 145.49 5.80 -5 -4 9 156.28 6.00 -5 -4 9 147.99 5.50 5 -4 -9 148.99 5.70 -5 -4 9 131.79 5.60 5 -4 -9 159.08 6.30 -5 -4 9 136.29 5.90 5 4 -9 148.39 6.60 5 4 -9 150.18 6.50 5 4 -9 147.09 7.70 5 4 -9 148.89 6.90 -5 4 9 167.08 6.20 5 4 -9 150.08 5.60 -4 -4 9 39.70 2.20 -4 -4 9 40.30 2.40 4 -4 -9 42.20 2.50 -4 -4 9 44.50 2.70 -4 -4 9 42.90 2.40 -4 -4 9 40.10 2.30 -4 -4 9 44.50 2.30 4 -4 -9 41.20 2.60 4 4 -9 40.90 3.00 4 4 -9 40.50 2.50 -4 4 9 38.50 2.90 4 4 -9 38.60 3.00 -4 4 9 38.80 3.10 4 4 -9 40.30 3.00 4 4 -9 40.20 3.30 4 4 -9 40.50 3.90 -3 -4 9 50.99 2.80 -3 -4 9 46.30 2.60 3 -4 -9 48.20 3.20 -3 -4 9 51.59 2.70 -3 -4 9 50.29 3.20 -3 -4 9 50.49 2.80 -3 -4 9 51.09 2.30 3 -4 -9 50.49 2.90 3 -4 -9 55.59 3.10 -3 -4 9 47.40 2.60 -3 -4 9 49.40 2.60 3 4 -9 52.59 2.90 3 4 -9 52.29 3.90 -3 4 9 53.99 4.10 3 4 -9 53.09 4.60 -3 4 9 49.80 3.60 3 4 -9 49.60 3.50 3 4 -9 50.69 3.50 2 -4 -9 53.19 3.00 -2 -4 9 56.09 2.80 -2 -4 9 56.39 3.10 -2 -4 9 52.09 2.70 -2 -4 9 55.89 2.70 2 -4 -9 54.99 3.10 -2 -4 9 54.49 3.10 -2 -4 9 55.49 2.80 -2 -4 9 55.29 3.40 -2 -4 9 53.39 3.30 -2 4 9 52.79 4.50 2 4 -9 54.69 3.10 2 4 -9 58.69 4.20 -2 4 9 50.99 3.70 2 4 -9 59.99 3.90 2 4 -9 57.79 3.80 2 4 -9 56.99 4.90 1 -4 -9 47.50 2.80 -1 -4 9 46.50 2.70 -1 -4 9 50.99 2.60 -1 -4 9 51.79 2.90 -1 -4 9 48.50 2.60 -1 -4 9 50.79 2.60 1 -4 -9 48.70 2.80 -1 -4 9 47.80 3.30 -1 -4 9 47.70 3.10 1 4 -9 47.60 3.40 1 4 -9 53.59 4.00 1 4 -9 53.99 3.70 1 4 -9 48.70 4.50 -1 4 9 50.89 3.70 1 4 -9 52.29 3.60 -1 4 9 48.70 4.40 1 4 -9 46.70 2.90 0 -4 9 14.70 1.30 0 -4 9 14.30 1.40 0 -4 9 15.00 1.20 0 -4 9 10.50 1.90 0 -4 -9 14.50 1.40 0 -4 -9 15.60 1.30 0 -4 9 14.30 1.50 0 -4 -9 14.80 1.20 0 4 9 11.70 2.60 0 4 -9 15.60 2.00 0 4 -9 14.10 2.00 0 4 9 17.70 2.40 0 4 -9 16.60 2.00 0 4 -9 14.80 2.40 0 4 -9 15.50 1.50 0 4 -9 13.70 1.70 -1 -4 -9 191.68 6.60 -1 -4 -9 191.88 7.00 1 -4 9 193.18 7.00 1 -4 9 198.78 8.50 1 -4 9 194.08 7.20 1 -4 9 192.98 7.10 -1 -4 -9 181.78 6.60 -1 4 -9 189.28 8.40 1 4 9 184.98 8.60 1 4 9 186.18 9.70 -1 4 -9 185.08 8.20 -1 4 -9 186.68 7.40 -1 4 -9 181.38 8.00 -1 4 -9 186.88 9.20 2 -4 9 72.29 4.20 -2 -4 -9 69.49 3.10 -2 -4 -9 70.29 3.30 2 -4 9 68.39 3.10 2 -4 9 68.99 3.00 2 -4 9 69.19 2.80 2 4 9 75.09 4.50 2 4 9 73.29 5.10 -2 4 -9 64.69 3.80 -2 4 -9 62.19 4.30 -2 4 -9 73.69 3.60 3 -4 9 12.70 0.80 -3 -4 -9 15.20 1.10 3 -4 9 14.80 1.50 3 -4 9 13.80 1.10 3 -4 9 14.30 1.00 -3 -4 -9 14.00 1.00 -3 4 -9 14.20 1.30 3 4 9 13.60 1.90 4 -4 9 53.39 2.50 4 -4 9 58.99 3.10 4 4 9 60.79 3.40 6 -5 -9 41.00 2.00 -6 -5 9 43.30 1.90 -6 -5 9 45.00 2.20 -6 -5 9 40.10 1.90 6 -5 -9 43.40 2.30 6 -5 -9 40.50 2.20 -6 -5 9 42.10 2.00 -6 5 9 43.30 1.90 -6 5 9 43.50 2.30 6 5 -9 44.00 2.50 6 5 -9 44.40 2.90 -5 -5 9 24.90 1.50 5 -5 -9 24.80 1.60 -5 -5 9 22.20 1.50 5 -5 -9 23.50 1.70 -5 -5 9 25.20 1.60 -5 -5 9 25.20 1.60 5 -5 -9 24.20 1.60 -5 -5 9 22.90 1.50 -5 -5 9 23.20 1.60 -5 5 9 24.30 1.50 -5 5 9 24.30 2.00 5 5 -9 26.10 2.20 5 5 -9 25.20 2.00 5 5 -9 24.40 2.00 -5 5 9 25.60 2.00 5 5 -9 25.00 2.60 -4 -5 9 204.48 7.60 -4 -5 9 192.98 6.80 -4 -5 9 198.08 7.10 -4 -5 9 193.68 8.60 4 -5 -9 195.98 7.30 4 -5 -9 194.58 7.40 -4 -5 9 192.18 7.00 -4 -5 9 201.08 7.20 4 5 -9 190.48 8.10 4 5 -9 187.28 11.10 4 5 -9 198.28 7.10 4 5 -9 202.18 8.50 4 5 -9 189.78 8.50 -4 5 9 198.58 8.20 4 5 -9 193.38 8.00 3 -5 -9 38.40 2.10 -3 -5 9 39.20 2.40 3 -5 -9 38.80 2.30 3 -5 -9 37.40 2.30 -3 -5 9 35.00 2.20 -3 -5 9 36.30 2.00 -3 -5 9 36.90 2.20 -3 -5 9 40.30 2.20 -3 -5 9 38.60 2.20 3 -5 -9 36.80 2.30 -3 -5 9 36.70 2.50 3 5 -9 39.60 2.70 3 5 -9 37.80 2.90 -3 5 9 37.80 3.60 -3 5 9 37.50 3.00 3 5 -9 38.10 3.70 3 5 -9 38.40 3.10 3 5 -9 35.30 2.70 -2 -5 9 33.80 2.20 -2 -5 9 34.70 2.00 -2 -5 9 36.70 2.00 -2 -5 9 38.10 2.30 -2 -5 9 37.40 2.60 2 -5 -9 36.60 2.20 2 -5 -9 39.10 2.40 -2 -5 9 34.80 2.40 -2 -5 9 37.80 2.20 2 -5 -9 36.70 2.00 -2 5 9 39.30 3.70 2 5 -9 35.30 2.80 2 5 -9 40.60 3.00 2 5 -9 33.70 3.60 2 5 -9 38.70 3.00 2 5 -9 36.80 2.30 -2 5 9 35.40 3.00 2 5 -9 36.80 3.10 -1 -5 9 119.09 4.80 1 -5 -9 119.89 5.10 -1 -5 9 116.89 5.20 -1 -5 9 117.79 4.80 -1 -5 9 120.99 5.00 1 -5 -9 120.99 4.80 -1 -5 9 119.59 5.50 -1 -5 9 123.29 5.20 -1 -5 9 120.89 5.00 -1 5 9 127.99 7.40 1 5 -9 130.29 6.10 -1 5 9 127.99 6.50 1 5 -9 124.19 6.10 1 5 -9 124.09 7.40 1 5 -9 127.49 5.20 1 5 -9 119.69 6.10 0 -5 9 15.60 1.80 0 -5 9 19.20 1.60 0 -5 9 17.70 1.50 0 -5 9 17.20 1.40 0 -5 9 16.70 1.60 0 -5 9 19.10 1.40 0 -5 9 14.60 1.50 0 -5 -9 17.70 1.30 0 -5 -9 17.90 1.50 0 -5 -9 17.60 1.50 0 5 9 19.30 2.40 0 5 -9 15.30 1.90 0 5 -9 16.10 1.50 0 5 -9 18.40 2.60 0 5 -9 16.70 2.00 0 5 9 16.70 2.60 0 5 -9 16.50 2.10 -1 -5 -9 168.08 6.40 1 -5 9 161.78 6.10 -1 -5 -9 168.48 6.20 1 -5 9 166.58 6.50 1 -5 9 165.28 6.30 -1 -5 -9 163.48 5.80 1 -5 9 164.08 6.20 1 -5 9 170.28 7.10 -1 5 -9 164.98 7.60 1 5 9 166.38 8.70 -1 5 -9 168.88 7.40 -1 5 -9 168.88 6.60 1 5 9 178.78 8.00 -1 5 -9 165.68 8.90 -1 5 -9 161.58 8.20 -1 5 -9 163.68 7.20 2 -5 9 130.89 4.80 2 -5 9 123.69 4.90 -2 -5 -9 142.49 5.30 2 -5 9 130.19 4.60 2 -5 9 132.09 5.70 -2 -5 -9 140.09 5.00 2 -5 9 143.19 5.40 -2 5 -9 131.09 6.40 -2 5 -9 141.99 5.50 2 5 9 139.39 7.20 -2 5 -9 127.69 5.90 -3 -5 -9 5.80 0.80 -3 -5 -9 6.60 0.70 3 -5 9 6.60 0.70 3 -5 9 6.40 0.60 -3 5 -9 6.70 0.90 3 5 9 6.90 1.50 -6 -6 9 15.40 0.90 -6 -6 9 17.60 1.00 -6 6 9 14.30 1.10 -6 6 9 14.50 0.80 -5 -6 9 51.69 2.30 5 -6 -9 48.30 2.00 5 -6 -9 48.30 2.40 -5 -6 9 51.59 2.40 -5 -6 9 48.00 2.30 5 -6 -9 52.89 2.40 -5 -6 9 49.70 2.30 -5 -6 9 49.80 2.20 -5 6 9 50.29 2.80 -5 6 9 51.09 2.90 -5 6 9 49.60 2.20 5 6 -9 48.90 3.30 5 6 -9 49.70 2.90 4 -6 -9 19.00 1.40 -4 -6 9 18.20 1.40 -4 -6 9 18.40 1.30 -4 -6 9 17.60 1.40 -4 -6 9 20.00 1.60 4 -6 -9 17.60 1.40 4 -6 -9 19.80 1.30 -4 -6 9 18.20 1.40 -4 -6 9 18.90 1.50 4 6 -9 19.60 2.30 -4 6 9 19.10 2.10 4 6 -9 19.40 1.70 4 6 -9 19.80 2.40 4 6 -9 20.60 2.40 -4 6 9 20.60 2.00 -3 -6 9 82.39 3.60 3 -6 -9 78.89 3.60 -3 -6 9 77.39 3.10 3 -6 -9 78.69 3.20 -3 -6 9 80.49 3.50 -3 -6 9 77.59 3.70 3 -6 -9 83.59 3.70 -3 -6 9 82.69 3.80 3 -6 -9 79.39 3.40 -3 -6 9 76.49 3.90 3 6 -9 78.99 4.20 3 6 -9 75.79 4.50 -3 6 9 78.29 4.40 3 6 -9 84.99 4.30 -3 6 9 83.69 5.10 3 6 -9 75.19 3.80 -2 -6 9 389.36 13.20 -2 -6 9 397.96 13.10 -2 -6 9 398.76 13.30 -2 -6 9 385.26 12.80 2 -6 -9 388.96 12.90 -2 -6 9 380.36 13.50 -2 -6 9 397.26 13.80 -2 -6 9 393.56 13.00 2 -6 -9 392.56 13.30 2 6 -9 396.36 14.30 -2 6 9 406.16 15.80 2 6 -9 406.16 15.00 2 6 -9 392.96 13.10 2 6 -9 418.76 14.50 2 6 -9 376.86 14.20 2 6 -9 404.06 16.10 -1 -6 9 541.95 17.60 1 -6 -9 519.95 17.00 -1 -6 9 541.45 17.70 -1 -6 9 536.45 17.30 1 -6 -9 559.74 17.50 -1 -6 9 526.35 18.00 1 -6 -9 576.54 18.50 1 -6 -9 547.95 17.60 -1 -6 9 534.65 17.40 1 6 -9 544.85 18.80 1 6 -9 550.74 19.40 1 6 -9 541.25 20.50 -1 6 9 545.15 20.50 1 6 -9 504.15 18.60 1 6 -9 534.45 18.80 -1 6 9 553.54 19.30 0 -6 9 100.39 4.10 0 -6 9 105.89 4.50 0 -6 -9 103.79 4.30 0 -6 9 102.59 4.20 0 -6 -9 106.69 4.10 0 -6 -9 102.89 4.20 0 -6 9 103.39 4.40 0 -6 9 98.59 4.30 0 -6 9 102.59 5.30 0 6 -9 103.19 6.30 0 6 9 110.99 6.60 0 6 -9 101.59 5.30 0 6 9 115.29 5.80 0 6 -9 101.39 5.50 0 6 -9 97.49 5.20 1 -6 9 134.39 5.10 -1 -6 -9 135.79 5.20 1 -6 9 134.09 5.30 1 -6 9 117.29 4.80 -1 -6 -9 131.09 4.70 1 -6 9 131.89 4.90 -1 6 -9 131.29 5.90 -1 6 -9 135.09 5.30 -1 6 -9 135.89 6.30 2 -6 9 132.89 4.90 2 -6 9 139.19 4.90 2 -6 9 145.79 5.40 2 -6 9 142.89 5.00 -2 -6 -9 140.69 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0.80 0 -8 -9 11.30 0.90 0 -8 9 11.10 0.90 0 -8 9 11.20 0.90 0 -8 9 11.50 1.10 0 8 -9 12.10 1.30 0 8 -9 11.80 1.40 0 8 -9 11.40 1.70 0 8 9 12.50 1.90 1 -8 9 98.09 3.60 1 -8 9 96.69 3.70 1 -8 9 99.29 3.70 -1 -8 -9 96.49 3.40 -1 -8 -9 93.39 3.50 -1 8 -9 92.29 4.40 1 8 9 107.49 5.20 2 -8 9 4.20 0.40 2 8 9 4.80 1.40 -3 -9 9 52.29 2.30 -3 -9 9 52.49 2.20 3 -9 -9 60.19 2.30 3 -9 -9 50.79 2.10 -3 -9 9 49.50 2.30 -3 9 9 54.49 3.00 -2 -9 9 197.38 6.50 2 -9 -9 192.88 6.20 -2 -9 9 190.18 6.60 -2 -9 9 194.78 6.70 -2 -9 9 200.98 6.80 2 -9 -9 188.48 6.40 -2 -9 9 187.08 6.30 -2 9 9 208.78 8.00 2 9 -9 203.68 7.50 -1 -9 9 19.20 1.20 -1 -9 9 23.60 1.30 -1 -9 9 22.00 1.10 1 -9 -9 19.20 1.10 -1 -9 9 21.60 1.30 -1 9 9 23.80 2.20 1 9 -9 20.10 1.80 0 -9 -9 31.10 1.40 0 -9 9 35.60 1.50 0 -9 9 34.80 1.60 0 9 9 34.90 2.40 0 9 -9 32.20 2.30 -6 0 10 105.99 4.00 -6 0 10 109.99 3.80 6 0 -10 109.99 4.10 -5 0 10 27.70 1.40 -5 0 10 30.00 1.70 5 0 -10 27.40 2.10 -5 0 10 26.30 1.50 5 0 -10 29.10 2.50 -5 0 10 29.70 1.90 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3.60 2 0 10 88.99 3.30 -3 0 -10 80.99 3.30 -3 0 -10 89.89 3.30 3 0 10 96.89 4.20 3 0 10 97.29 3.30 -6 -1 10 109.69 3.90 6 -1 -10 110.69 4.10 -6 -1 10 95.09 3.60 -6 -1 10 106.99 3.70 -6 1 10 91.39 3.70 -6 1 10 110.09 3.70 6 1 -10 108.99 4.00 -6 1 10 107.69 3.90 6 1 -10 108.49 4.70 5 -1 -10 49.80 2.60 -5 -1 10 47.70 2.30 -5 -1 10 46.80 2.40 -5 -1 10 47.40 2.20 5 -1 -10 47.00 2.80 -5 -1 10 44.10 2.20 -5 1 10 49.90 2.20 -5 1 10 43.90 2.20 5 1 -10 49.30 3.50 -5 1 10 45.40 2.20 -5 1 10 46.60 2.70 5 1 -10 47.60 2.50 5 1 -10 54.19 4.10 5 1 -10 45.80 2.90 -4 -1 10 69.09 3.00 -4 -1 10 70.79 3.00 4 -1 -10 67.39 3.40 -4 -1 10 67.69 3.80 4 -1 -10 62.09 3.50 -4 -1 10 70.19 2.80 -4 -1 10 66.29 3.40 -4 1 10 63.39 2.90 4 1 -10 67.29 3.40 -4 1 10 69.79 3.80 4 1 -10 63.29 3.90 4 1 -10 66.89 4.00 -4 1 10 65.29 3.80 4 1 -10 61.99 3.70 4 1 -10 65.99 4.70 3 -1 -10 24.10 2.00 3 -1 -10 25.70 2.60 -3 -1 10 25.20 1.60 -3 -1 10 26.60 2.10 -3 -1 10 21.60 2.20 3 -1 -10 27.30 1.80 -3 -1 10 24.20 1.60 -3 1 10 27.50 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-10 60.09 4.00 0 1 -10 56.09 3.70 1 -1 10 61.59 4.00 1 -1 10 57.79 2.70 1 -1 10 55.99 2.80 -1 -1 -10 54.59 2.70 1 -1 10 55.89 2.80 1 1 10 57.19 3.80 1 1 10 55.29 2.80 1 1 10 59.49 4.00 -1 1 -10 58.59 2.80 -1 1 -10 57.89 3.00 -2 -1 -10 106.19 4.50 2 -1 10 98.79 4.00 -2 -1 -10 105.99 4.30 -2 -1 -10 100.79 4.00 2 -1 10 106.49 5.30 2 -1 10 104.19 3.70 2 1 10 107.99 5.30 -2 1 -10 112.59 5.30 -2 1 -10 101.99 4.20 2 1 10 101.49 5.60 -3 -1 -10 95.59 3.50 3 -1 10 98.39 3.40 -3 -1 -10 85.89 3.30 3 -1 10 95.29 4.20 3 1 10 96.29 4.20 -3 1 -10 94.39 3.40 3 1 10 97.99 3.40 -3 1 -10 84.09 3.60 -6 -2 10 26.60 1.40 -6 -2 10 31.10 1.40 -6 -2 10 31.40 1.50 6 -2 -10 34.50 1.70 -6 2 10 30.80 1.50 6 2 -10 30.80 1.90 -6 2 10 32.50 1.40 -6 2 10 33.30 1.70 6 2 -10 33.70 2.30 -5 -2 10 181.48 6.20 -5 -2 10 168.68 6.30 -5 -2 10 179.38 6.40 5 -2 -10 183.08 6.60 -5 2 10 184.38 7.00 -5 2 10 162.88 6.00 5 2 -10 182.68 8.20 5 2 -10 188.98 6.50 -5 2 10 177.28 6.20 5 2 -10 174.58 7.30 5 2 -10 167.68 7.00 -5 2 10 182.18 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74.39 3.00 3 2 10 77.19 2.90 6 -3 -10 86.09 3.10 -6 -3 10 73.99 3.00 6 3 -10 86.79 4.00 -6 3 10 81.69 2.90 -6 3 10 85.39 3.30 -6 3 10 80.89 3.00 5 -3 -10 50.09 2.30 -5 -3 10 43.60 2.20 -5 -3 10 46.50 2.10 5 -3 -10 45.40 2.30 5 3 -10 45.80 2.20 -5 3 10 48.40 2.80 5 3 -10 51.99 4.00 5 3 -10 49.99 3.50 5 3 -10 47.20 3.00 -5 3 10 47.10 2.20 -5 3 10 49.90 2.10 4 -3 -10 27.20 1.80 4 -3 -10 26.00 1.70 -4 -3 10 26.00 1.80 -4 -3 10 25.30 1.60 -4 -3 10 26.80 1.50 -4 -3 10 28.00 1.70 -4 -3 10 25.30 1.50 -4 3 10 27.30 1.80 -4 3 10 26.60 1.60 -4 3 10 26.90 2.30 4 3 -10 25.00 2.10 4 3 -10 27.80 1.80 4 3 -10 26.70 2.40 4 3 -10 28.50 2.90 3 -3 -10 306.77 10.60 3 -3 -10 297.37 10.40 -3 -3 10 283.57 10.00 -3 -3 10 299.37 10.40 -3 -3 10 319.27 10.10 -3 -3 10 306.37 10.90 -3 -3 10 304.27 10.30 -3 -3 10 301.87 10.00 -3 3 10 291.07 9.90 3 3 -10 307.47 11.90 -3 3 10 290.77 11.40 -3 3 10 288.67 11.20 3 3 -10 301.27 11.40 3 3 -10 302.87 11.40 3 3 -10 316.47 13.10 3 3 -10 285.57 11.50 3 3 -10 293.67 10.70 -2 -3 10 188.68 6.40 -2 -3 10 185.88 6.60 2 -3 -10 188.48 7.10 -2 -3 10 183.08 7.50 -2 -3 10 180.38 7.40 2 -3 -10 180.88 6.90 -2 -3 10 188.68 7.00 -2 3 10 190.48 8.30 2 3 -10 184.58 7.10 2 3 -10 185.48 8.00 2 3 -10 191.38 9.30 2 3 -10 176.78 7.90 -2 3 10 198.38 10.70 2 3 -10 177.28 8.20 -2 3 10 178.88 6.40 2 3 -10 187.58 8.30 1 -3 -10 77.79 3.50 -1 -3 10 76.99 4.30 -1 -3 10 72.09 3.10 -1 -3 10 72.19 3.50 -1 -3 10 74.19 3.80 -1 -3 10 73.79 3.30 1 -3 -10 72.59 3.40 1 3 -10 75.99 3.70 1 3 -10 79.89 4.30 1 3 -10 66.39 4.70 -1 3 10 67.39 4.40 1 3 -10 73.59 4.40 1 3 -10 74.09 4.40 -1 3 10 76.99 5.00 1 3 -10 77.99 5.20 0 -3 -10 14.80 1.00 0 -3 10 14.70 1.90 0 -3 10 14.50 1.10 0 -3 10 11.40 1.60 0 -3 10 14.00 1.30 0 -3 -10 13.80 1.20 0 3 -10 14.20 1.70 0 3 -10 15.00 1.70 0 3 10 16.60 2.10 0 3 -10 10.20 1.80 0 3 10 11.20 2.30 -1 -3 -10 9.60 0.90 1 -3 10 8.20 0.80 1 -3 10 9.30 0.90 -1 -3 -10 6.10 1.00 1 -3 10 9.30 0.90 1 -3 10 8.00 1.60 1 3 10 7.10 1.50 1 3 10 6.20 1.60 -1 3 -10 6.40 1.30 1 3 10 7.90 0.90 -1 3 -10 8.30 1.10 2 -3 10 44.70 2.80 -2 -3 -10 46.20 2.20 2 -3 10 45.00 2.20 2 -3 10 44.60 2.10 -2 -3 -10 45.40 2.10 2 3 10 45.70 3.00 2 3 10 40.90 3.00 -2 3 -10 48.60 2.40 -3 -3 -10 13.40 0.80 3 -3 10 14.30 1.10 3 -3 10 14.80 0.90 -3 -3 -10 16.10 0.80 -3 3 -10 12.80 0.90 3 3 10 14.50 0.80 -6 -4 10 11.00 0.80 -6 4 10 15.00 1.30 -6 4 10 13.80 0.90 5 -4 -10 49.90 2.20 -5 -4 10 50.39 2.10 -5 -4 10 43.80 2.10 -5 -4 10 49.60 2.10 5 -4 -10 49.20 2.20 -5 -4 10 50.39 2.40 5 4 -10 47.20 2.80 -5 4 10 47.70 2.70 -5 4 10 47.80 2.20 5 4 -10 49.70 3.30 -4 -4 10 10.90 1.00 -4 -4 10 9.90 0.90 4 -4 -10 9.50 1.00 -4 -4 10 9.80 0.90 -4 -4 10 10.00 1.10 4 -4 -10 11.50 1.00 4 4 -10 9.20 1.10 -4 4 10 10.50 1.00 4 4 -10 11.40 1.80 4 4 -10 11.00 1.40 -4 4 10 11.20 0.90 4 4 -10 11.30 1.50 -4 4 10 10.00 1.40 -3 -4 10 69.89 3.10 -3 -4 10 65.49 3.00 -3 -4 10 70.19 3.00 3 -4 -10 67.59 3.20 3 -4 -10 69.19 3.20 -3 -4 10 70.09 3.60 -3 4 10 69.69 2.90 3 4 -10 73.29 4.00 3 4 -10 73.29 4.30 -3 4 10 72.99 4.20 -3 4 10 72.09 4.20 3 4 -10 73.39 4.00 3 4 -10 72.39 3.30 2 -4 -10 18.10 1.40 -2 -4 10 18.30 1.30 -2 -4 10 19.00 1.50 -2 -4 10 18.90 1.50 -2 -4 10 18.90 1.70 -2 -4 10 19.00 1.40 2 -4 -10 18.80 1.50 -2 -4 10 17.90 1.10 2 4 -10 19.80 1.80 -2 4 10 15.50 2.90 -2 4 10 19.40 1.20 2 4 -10 18.30 2.40 2 4 -10 16.80 1.80 -2 4 10 18.20 2.20 2 4 -10 21.60 2.00 1 -4 -10 29.50 1.90 1 -4 -10 28.40 1.90 -1 -4 10 29.50 2.10 -1 -4 10 26.90 1.60 -1 -4 10 28.60 1.60 1 -4 -10 28.10 1.70 -1 -4 10 26.90 1.70 -1 -4 10 28.00 2.10 -1 -4 10 26.70 1.90 1 4 -10 28.20 2.90 1 4 -10 27.30 2.40 1 4 -10 26.80 2.30 -1 4 10 25.80 3.80 1 4 -10 29.00 2.50 -1 4 10 35.30 3.20 1 4 -10 27.90 2.30 0 -4 10 78.39 4.00 0 -4 10 81.69 3.30 0 -4 10 74.59 3.40 0 -4 -10 77.19 3.10 0 -4 -10 81.79 4.20 0 -4 10 73.69 3.50 0 4 -10 73.89 4.20 0 4 -10 73.29 4.00 0 4 -10 76.79 4.30 0 4 10 80.49 5.10 0 4 -10 81.49 3.70 0 4 10 80.19 4.60 -1 -4 -10 9.60 0.90 -1 -4 -10 9.70 0.90 1 -4 10 8.90 0.90 1 -4 10 10.20 0.90 1 -4 10 9.40 0.90 1 -4 10 10.30 1.40 -1 4 -10 9.80 1.10 -1 4 -10 8.00 1.40 1 4 10 11.20 2.30 1 4 10 7.20 1.60 -1 4 -10 7.70 1.20 2 -4 10 42.70 2.20 -2 -4 -10 42.00 1.90 2 -4 10 42.20 1.80 -2 -4 -10 39.10 2.00 2 -4 10 42.70 2.10 -2 4 -10 42.50 2.20 2 4 10 39.30 3.20 -5 -5 10 32.70 1.50 5 -5 -10 33.10 1.40 -5 -5 10 32.70 1.60 -5 -5 10 34.00 1.50 -5 5 10 34.60 1.50 5 5 -10 35.80 2.50 -5 5 10 33.70 1.50 -5 5 10 36.40 2.10 4 -5 -10 87.99 3.50 -4 -5 10 82.69 3.50 -4 -5 10 84.79 3.60 4 -5 -10 87.39 3.20 -4 -5 10 88.09 3.40 -4 5 10 81.19 3.30 4 5 -10 83.99 4.30 4 5 -10 87.59 4.90 -4 5 10 88.19 4.20 -4 5 10 80.99 3.40 4 5 -10 88.79 4.10 3 -5 -10 97.39 4.00 -3 -5 10 95.09 3.70 -3 -5 10 99.59 4.30 -3 -5 10 91.89 3.80 -3 -5 10 96.89 3.80 -3 -5 10 100.99 3.80 -3 5 10 91.59 3.70 3 5 -10 97.09 5.10 3 5 -10 99.69 5.60 3 5 -10 80.39 4.60 -3 5 10 98.29 4.80 3 5 -10 94.69 4.60 3 5 -10 98.29 4.70 -3 5 10 99.09 5.00 -2 -5 10 46.30 2.40 -2 -5 10 44.60 3.00 -2 -5 10 46.10 2.70 2 -5 -10 47.60 2.30 2 -5 -10 45.20 2.40 2 -5 -10 39.80 1.90 -2 -5 10 43.50 2.00 -2 -5 10 45.80 2.20 2 5 -10 45.00 2.90 -2 5 10 49.70 3.60 2 5 -10 45.00 2.30 2 5 -10 53.49 4.30 2 5 -10 47.00 3.20 -2 5 10 47.20 3.20 2 5 -10 48.40 3.80 -1 -5 10 141.39 5.30 1 -5 -10 142.09 5.30 -1 -5 10 138.89 5.00 1 -5 -10 140.99 5.00 1 -5 -10 133.39 5.00 -1 -5 10 136.99 5.00 -1 -5 10 136.79 5.50 -1 -5 10 118.29 5.10 1 5 -10 143.69 7.20 1 5 -10 129.19 5.30 -1 5 10 145.09 7.10 1 5 -10 140.79 6.70 1 5 -10 138.59 6.40 -1 5 10 137.89 6.40 1 5 -10 139.09 6.10 0 -5 10 74.79 3.20 0 -5 -10 77.89 3.00 0 -5 -10 78.89 3.30 0 -5 10 75.09 3.40 0 -5 -10 79.89 3.30 0 -5 10 72.69 3.20 0 -5 10 79.29 3.40 0 5 10 97.09 6.30 0 5 10 81.69 4.90 0 5 -10 81.59 4.80 0 5 -10 72.99 4.50 0 5 -10 79.59 4.20 0 5 -10 81.79 3.50 -1 -5 -10 22.90 1.30 1 -5 10 21.50 1.30 -1 -5 -10 22.00 1.40 1 -5 10 21.20 1.40 1 5 10 23.20 2.40 1 5 10 21.80 2.10 -1 5 -10 22.50 1.50 -1 5 -10 20.90 2.00 -2 -5 -10 86.89 3.00 -2 -5 -10 82.09 3.20 2 -5 10 79.09 3.00 2 -5 10 82.49 3.20 -2 5 -10 88.09 3.40 2 5 10 85.09 4.10 4 -6 -10 6.30 0.60 -4 -6 10 6.80 0.60 -4 -6 10 8.00 0.90 -4 -6 10 6.90 0.70 -4 -6 10 6.90 0.60 4 -6 -10 7.20 0.70 -4 6 10 6.30 0.90 4 6 -10 6.50 1.20 -4 6 10 6.40 0.50 4 6 -10 6.30 0.90 -3 -6 10 94.79 3.70 -3 -6 10 99.19 4.10 3 -6 -10 100.89 3.70 -3 -6 10 91.69 3.60 -3 -6 10 105.19 3.80 3 -6 -10 101.89 3.80 -3 6 10 94.79 3.50 3 6 -10 91.19 4.40 3 6 -10 100.19 5.20 -3 6 10 99.59 6.40 3 6 -10 96.59 4.60 -3 6 10 97.09 3.30 -3 6 10 97.99 4.60 2 -6 -10 62.39 2.70 -2 -6 10 58.19 2.60 -2 -6 10 62.29 2.70 2 -6 -10 64.19 2.60 -2 -6 10 60.39 2.70 -2 -6 10 56.59 2.40 2 6 -10 61.79 4.00 2 6 -10 60.69 3.50 2 6 -10 61.19 2.60 -2 6 10 63.69 4.00 -2 6 10 61.09 3.40 -1 -6 10 26.80 1.40 -1 -6 10 26.40 1.40 1 -6 -10 25.20 1.30 -1 -6 10 26.00 1.70 1 -6 -10 26.80 1.40 -1 -6 10 29.30 1.90 1 -6 -10 26.70 1.50 -1 -6 10 27.20 1.60 -1 6 10 25.60 2.60 1 6 -10 26.00 2.10 -1 6 10 24.80 2.30 1 6 -10 27.50 2.60 1 6 -10 24.40 1.50 1 6 -10 26.00 2.10 0 -6 -10 19.40 1.00 0 -6 10 20.30 1.30 0 -6 10 19.00 1.10 0 -6 -10 18.80 1.20 0 -6 -10 20.50 1.20 0 -6 10 17.10 1.10 0 -6 10 18.40 1.10 0 6 10 20.40 2.20 0 6 -10 18.10 1.30 0 6 -10 15.40 1.60 -1 -6 -10 191.38 6.60 1 -6 10 192.08 6.60 -1 -6 -10 205.68 6.50 1 -6 10 201.28 6.50 1 -6 10 194.88 6.50 1 6 10 204.08 8.20 -1 6 -10 201.48 7.60 -4 -7 10 39.10 1.80 3 -7 -10 99.89 3.60 -3 -7 10 82.49 3.80 3 -7 -10 96.59 3.50 -3 -7 10 100.79 3.60 -3 -7 10 101.29 3.90 3 7 -10 98.09 4.70 -3 7 10 103.29 4.40 2 -7 -10 70.09 3.00 2 -7 -10 68.29 2.80 -2 -7 10 72.09 2.80 -2 -7 10 69.89 2.90 -2 -7 10 75.39 3.40 -2 -7 10 72.89 2.80 -2 -7 10 69.29 3.00 2 7 -10 75.69 4.10 -2 7 10 72.89 4.20 2 7 -10 71.99 3.90 -1 -7 10 113.69 4.10 -1 -7 10 131.39 5.00 1 -7 -10 116.79 4.10 -1 -7 10 117.99 4.00 -1 -7 10 110.39 4.30 1 7 -10 118.19 5.40 1 7 -10 114.69 7.00 -1 7 10 108.79 7.00 0 -7 10 22.40 1.10 0 -7 -10 23.20 1.10 0 -7 -10 22.20 1.10 0 -7 10 24.10 1.30 0 7 -10 24.00 2.00 0 7 10 26.40 2.20 1 -7 10 80.59 2.70 1 7 10 73.09 3.90 2 -8 -10 122.09 3.80 2 -8 -10 105.99 3.70 -2 -8 10 96.19 3.80 -2 8 10 107.69 4.50 1 -8 -10 62.89 2.20 1 8 -10 60.59 3.20 -1 8 10 65.29 3.90 5 0 -11 111.69 3.90 -5 0 11 109.99 3.70 -5 0 11 97.69 3.60 -4 0 11 163.38 6.40 -4 0 11 180.08 5.80 4 0 -11 184.38 6.30 -4 0 11 165.88 5.70 -4 0 11 167.18 5.70 -3 0 11 0.50 0.30 3 0 -11 0.80 0.40 -3 0 11 0.70 0.60 3 0 -11 0.30 0.20 -3 0 11 0.40 0.40 -3 0 11 0.40 0.40 -2 0 11 14.80 1.40 -2 0 11 14.50 1.70 -2 0 11 13.70 0.90 2 0 -11 14.40 1.30 1 0 -11 1.30 0.40 -1 0 11 1.00 0.30 -1 0 11 1.10 0.60 1 0 -11 0.60 0.40 -1 0 11 0.70 0.60 -1 0 11 0.40 0.40 0 0 11 58.29 2.70 0 0 11 60.89 2.70 0 0 11 55.69 2.50 0 0 -11 60.89 2.60 0 0 -11 64.29 2.90 0 0 11 67.19 3.70 1 0 11 8.30 2.10 -1 0 -11 4.10 0.80 1 0 11 6.40 0.60 -1 0 -11 6.60 0.70 2 0 11 39.20 2.00 2 0 11 38.80 2.00 2 0 11 35.90 1.50 -5 -1 11 216.88 7.00 5 -1 -11 216.18 7.20 5 1 -11 219.38 7.20 -5 1 11 222.08 7.00 -4 -1 11 93.49 4.20 4 -1 -11 109.39 4.10 -4 -1 11 98.39 3.60 -4 -1 11 106.69 3.70 -4 -1 11 94.09 3.50 4 1 -11 101.99 4.60 -4 1 11 102.39 3.60 4 1 -11 113.49 4.10 -4 1 11 105.39 4.40 -4 1 11 98.69 3.90 -4 1 11 97.29 3.60 -3 -1 11 71.09 3.50 -3 -1 11 73.19 2.90 -3 -1 11 74.49 3.40 -3 -1 11 76.79 3.10 3 -1 -11 76.69 3.30 -3 1 11 73.19 2.80 3 1 -11 72.79 3.90 -3 1 11 73.09 3.40 -3 1 11 76.89 3.90 3 1 -11 75.89 3.30 2 -1 -11 9.00 0.90 2 -1 -11 10.40 1.10 -2 -1 11 9.80 1.40 -2 -1 11 10.20 1.00 -2 -1 11 9.30 1.10 -2 1 11 9.00 1.60 -2 1 11 8.90 1.10 2 1 -11 9.10 1.30 -2 1 11 9.00 0.70 2 1 -11 9.20 1.10 1 -1 -11 31.90 1.90 -1 -1 11 33.80 2.50 -1 -1 11 36.60 2.00 1 -1 -11 35.50 1.90 -1 -1 11 32.50 1.50 -1 -1 11 34.40 2.10 1 -1 -11 34.80 1.50 -1 1 11 36.80 2.70 -1 1 11 33.90 2.10 1 1 -11 37.20 2.00 -1 1 11 32.60 1.50 0 -1 -11 87.79 3.40 0 -1 11 83.69 4.30 0 -1 11 83.09 3.20 0 -1 11 74.09 3.60 0 -1 -11 86.69 3.50 0 -1 11 83.69 3.40 0 1 11 82.29 3.50 0 1 11 95.49 4.60 0 1 11 88.99 3.40 0 1 -11 89.29 3.60 0 1 11 85.69 3.10 -1 -1 -11 2.90 0.50 -1 -1 -11 2.80 0.50 1 -1 11 2.70 0.50 1 -1 11 2.50 1.30 1 1 11 2.70 0.60 -1 1 -11 2.00 0.50 1 1 11 3.30 0.90 1 1 11 2.40 0.40 2 -1 11 190.88 6.90 2 -1 11 202.68 6.40 -5 -2 11 53.09 1.90 -5 2 11 45.10 2.10 -4 -2 11 53.89 2.50 4 -2 -11 52.89 3.10 -4 -2 11 57.89 2.40 -4 -2 11 50.89 2.20 -4 2 11 53.49 2.20 4 2 -11 60.59 2.60 4 2 -11 63.59 4.40 -4 2 11 61.79 3.00 -4 2 11 61.69 2.30 -4 2 11 56.19 2.50 -4 2 11 50.79 2.10 -3 -2 11 100.29 4.30 -3 -2 11 109.39 4.10 -3 -2 11 101.89 3.90 3 -2 -11 104.39 4.00 3 -2 -11 111.79 4.20 -3 -2 11 106.59 3.90 -3 2 11 110.29 5.00 3 2 -11 110.99 4.30 3 2 -11 92.09 4.80 3 2 -11 108.19 5.30 -3 2 11 113.09 4.40 -3 2 11 106.89 3.70 2 -2 -11 80.49 3.30 -2 -2 11 79.79 3.60 -2 -2 11 78.79 3.30 -2 -2 11 66.89 3.40 2 -2 -11 79.59 3.30 -2 -2 11 75.19 3.60 2 2 -11 74.09 3.30 -2 2 11 75.49 3.50 2 2 -11 67.29 3.60 2 2 -11 78.69 4.30 -2 2 11 76.29 4.10 -1 -2 11 22.90 1.50 1 -2 -11 21.00 1.10 -1 -2 11 21.10 1.80 -1 -2 11 21.00 1.50 -1 -2 11 21.40 1.10 1 -2 -11 22.50 1.40 -1 2 11 19.70 1.90 -1 2 11 20.00 1.50 1 2 -11 18.30 1.70 0 -2 11 22.30 1.30 0 -2 11 23.70 1.80 0 -2 11 18.80 1.20 0 -2 -11 19.70 1.20 0 -2 11 17.80 1.10 0 -2 11 20.90 1.30 0 -2 -11 20.00 1.40 0 2 11 17.80 1.90 0 2 11 18.80 1.60 0 2 -11 19.90 1.40 0 2 11 18.60 1.00 1 -2 11 430.56 13.00 1 -2 11 434.66 13.40 -1 -2 -11 400.46 13.20 -1 -2 -11 414.16 13.10 1 -2 11 399.66 13.10 1 -2 11 425.66 13.80 1 2 11 396.36 12.90 1 2 11 425.26 14.20 -1 2 -11 431.66 13.30 -4 -3 11 221.88 7.00 4 -3 -11 214.08 7.10 -4 -3 11 196.68 7.20 4 3 -11 219.78 7.10 -4 3 11 221.08 7.80 -4 3 11 212.28 7.60 -4 3 11 211.58 6.80 4 3 -11 218.88 8.30 -3 -3 11 21.70 1.50 3 -3 -11 16.70 1.60 3 -3 -11 21.10 1.20 -3 -3 11 21.70 1.70 -3 3 11 22.40 1.40 -3 3 11 20.00 1.80 3 3 -11 17.70 1.70 3 3 -11 17.80 1.90 -3 3 11 19.20 1.10 3 3 -11 21.10 2.00 2 -3 -11 81.89 3.20 -2 -3 11 88.09 3.70 -2 -3 11 83.79 3.10 -2 -3 11 87.79 3.50 2 -3 -11 82.39 4.10 2 -3 -11 77.59 3.10 -2 3 11 86.29 3.70 2 3 -11 90.39 4.60 2 3 -11 73.09 4.30 -2 3 11 85.89 4.30 2 3 -11 88.29 3.50 -1 -3 11 107.89 3.80 -1 -3 11 101.59 4.30 1 -3 -11 110.19 3.90 -1 -3 11 117.99 4.30 -1 -3 11 107.49 4.30 1 -3 -11 112.89 4.20 1 -3 -11 113.19 4.00 -1 3 11 116.19 5.30 1 3 -11 111.39 5.10 1 3 -11 115.79 4.40 -1 3 11 107.89 4.40 0 -3 11 92.89 3.70 0 -3 11 91.89 3.70 0 -3 11 100.69 3.90 0 -3 -11 98.59 3.70 0 -3 11 97.39 3.50 0 -3 -11 87.39 3.70 0 3 11 103.59 4.70 0 3 -11 104.29 3.90 0 3 11 96.59 3.80 -1 -3 -11 38.50 1.70 -1 -3 -11 37.00 1.60 1 -3 11 30.00 1.60 1 3 11 34.90 2.20 -1 3 -11 37.60 1.80 -4 -4 11 64.49 2.70 -4 -4 11 68.79 2.50 4 -4 -11 65.29 2.50 -4 4 11 71.09 3.10 4 4 -11 70.49 3.50 -3 -4 11 136.39 4.70 -3 -4 11 135.89 4.70 -3 -4 11 142.39 5.30 3 -4 -11 130.79 4.70 3 -4 -11 141.39 4.80 -3 4 11 128.19 4.90 -3 4 11 139.09 5.70 3 4 -11 147.09 7.70 -2 -4 11 59.69 2.90 2 -4 -11 64.49 2.70 -2 -4 11 61.59 2.40 -2 -4 11 66.99 2.70 2 -4 -11 57.19 2.50 -2 4 11 67.09 2.90 2 4 -11 67.99 2.80 2 4 -11 71.59 3.90 2 4 -11 65.29 3.40 -2 4 11 68.29 3.60 -1 -4 11 31.00 1.70 1 -4 -11 32.40 1.40 1 -4 -11 30.00 1.50 -1 -4 11 34.90 1.70 1 -4 -11 34.70 1.70 -1 -4 11 33.20 1.40 -1 4 11 31.20 2.30 1 4 -11 35.60 1.80 -1 4 11 35.30 1.90 0 -4 -11 12.30 0.80 0 -4 -11 11.40 0.80 0 -4 11 11.90 0.90 0 -4 11 10.80 0.70 0 4 11 12.00 0.90 0 4 -11 12.60 0.90 0 4 11 12.80 1.90 -1 -4 -11 24.50 1.20 1 -4 11 24.20 1.10 -1 -4 -11 24.10 1.10 -1 4 -11 24.90 1.40 3 -5 -11 88.09 3.20 3 -5 -11 91.09 3.70 -3 5 11 97.59 3.80 3 5 -11 93.69 4.30 -2 -5 11 21.50 1.20 2 -5 -11 20.40 1.00 2 -5 -11 22.70 1.20 -2 -5 11 19.00 1.20 -2 5 11 22.00 1.30 -2 5 11 20.30 2.30 -1 -5 11 112.19 4.50 -1 -5 11 127.89 4.40 1 -5 -11 127.89 4.30 1 5 -11 129.99 5.20 -1 5 11 120.09 4.50 0 -5 11 55.89 2.30 0 -5 11 46.30 1.90 0 -5 -11 47.70 1.90 0 5 -11 44.40 2.10 2 -6 -11 25.20 1.10 -2 6 11 28.80 1.70 -2 0 12 52.89 2.40 2 0 -12 58.59 2.50 -1 0 12 126.69 4.30 -2 -1 12 7.40 0.60 -2 -1 12 6.40 0.60 2 1 -12 8.60 0.80 -2 1 12 7.60 0.60 -2 1 12 6.10 0.60 -2 1 12 7.10 0.80 -1 1 12 111.19 4.90 0 0 0 0.00 0.00 _computing_structure_solution 'SHELXT 2014/5 (Sheldrick, 2014)' ; _shelx_hkl_checksum 58236 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, y+1/2, -z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_calc_flag _atom_site_refinement_flags_adp _atom_site_refinement_flags_occupancy _atom_site_refinement_flags_posn _atom_site_occupancy _atom_site_disorder_assembly _atom_site_disorder_group O O1 0.68530(15) 0.68601(9) 0.62826(11) 0.0207(2) Uani d . . . 1 . . C C1 0.69970(18) 0.56037(13) 0.63481(14) 0.0166(3) Uani d . . . 1 . . C C2 0.69037(18) 0.50193(13) 0.49563(14) 0.0166(3) Uani d . . . 1 . . O O2 0.93393(16) 0.24204(10) 0.55461(12) 0.0248(2) Uani d . . . 1 . . H H2 1.016(3) 0.2998(18) 0.559(2) 0.037 Uiso calc U . R 1 . . O O3 0.40110(14) 0.55482(10) 0.70961(12) 0.0226(2) Uani d . . . 1 . . H H3 0.3988(4) 0.628(2) 0.724(2) 0.034 Uiso calc U . R 1 . . C C3 0.70525(18) 0.38902(13) 0.46799(14) 0.0170(3) Uani d . . . 1 . . C C4 0.7559(2) 0.28774(13) 0.56819(15) 0.0182(3) Uani d . . . 1 . . H H4 0.660062 0.22558 0.538238 0.022 Uiso calc U . R 1 . . O O4 0.65595(16) 0.48198(10) 0.24800(11) 0.0240(2) Uani d . . . 1 . . C C5 0.7547(2) 0.31937(13) 0.72503(15) 0.0198(3) Uani d . . . 1 . . H H5A 0.862589 0.370886 0.761797 0.024 Uiso calc U . R 1 . . H H5B 0.770769 0.247574 0.783747 0.024 Uiso calc U . R 1 . . O O5 0.67906(17) 0.28823(10) 0.23925(11) 0.0260(2) Uani d . . . 1 . . C C6 0.5730(2) 0.38065(14) 0.74336(14) 0.0189(3) Uani d . . . 1 . . H H6 0.475627 0.360771 0.656517 0.023 Uiso calc U . R 1 . . C C8 0.6962(2) 0.56838(16) 0.89001(15) 0.0247(3) Uani d . . . 1 . . H H8A 0.612082 0.623182 0.926701 0.03 Uiso calc U . R 1 . . H H8B 0.732022 0.506267 0.96254 0.03 Uiso calc U . R 1 . . C C7 0.5910(2) 0.51393(13) 0.74616(15) 0.0175(3) Uani d . . . 1 . . C C10 0.85768(19) 0.63404(13) 0.70544(14) 0.0186(3) Uani d . . . 1 . . H H10 0.9735 0.638588 0.664199 0.022 Uiso calc U . R 1 . . C C9 0.8745(2) 0.63369(14) 0.86769(15) 0.0205(3) Uani d . . . 1 . . C C11 0.6618(2) 0.56936(14) 0.35828(14) 0.0209(3) Uani d . . . 1 . . H H11A 0.542928 0.613632 0.343352 0.025 Uiso calc U . R 1 . . H H11B 0.766609 0.624238 0.358564 0.025 Uiso calc U . R 1 . . C C1W 0.1567(3) 0.45832(17) 0.3859(2) 0.0374(4) Uani d . . . 1 . . H H1WA 0.062523 0.414642 0.31807 0.056 Uiso calc U . R 1 . . H H1WB 0.282366 0.433572 0.376222 0.056 Uiso calc U . R 1 . . H H1WC 0.141734 0.541605 0.364985 0.056 Uiso calc U . R 1 . . O O1W 0.13304(18) 0.43688(13) 0.52802(16) 0.0395(3) Uani d . . . 1 . . H H1W 0.212(4) 0.477(3) 0.587(2) 0.059 Uiso calc U . R 1 . . C C15 0.8807(2) 0.75784(15) 0.92696(17) 0.0269(3) Uani d . . . 1 . . H H15A 0.992243 0.797678 0.908147 0.04 Uiso calc U . R 1 . . H H15B 0.885611 0.755237 1.030871 0.04 Uiso calc U . R 1 . . H H15C 0.768133 0.800013 0.879776 0.04 Uiso calc U . R 1 . . C C14 1.0551(2) 0.57041(17) 0.93636(18) 0.0284(3) Uani d . . . 1 . . H H14A 1.056493 0.493137 0.893102 0.043 Uiso calc U . R 1 . . H H14B 1.061116 0.562435 1.039993 0.043 Uiso calc U . R 1 . . H H14C 1.163422 0.615128 0.919956 0.043 Uiso calc U . R 1 . . C C13 0.5004(3) 0.33540(15) 0.87397(18) 0.0287(3) Uani d . . . 1 . . H H13A 0.391407 0.38131 0.886367 0.043 Uiso calc U . R 1 . . H H13B 0.599359 0.342317 0.960325 0.043 Uiso calc U . R 1 . . H H13C 0.463991 0.253638 0.858704 0.043 Uiso calc U . R 1 . . C C12 0.6797(2) 0.37553(14) 0.31087(15) 0.0197(3) Uani d . . . 1 . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 O1 0.0254(5) 0.0138(5) 0.0229(5) 0.0011(4) 0.0049(4) -0.0002(4) C1 0.0203(6) 0.0133(6) 0.0170(6) 0.0009(5) 0.0056(5) 0.0015(5) C2 0.0154(6) 0.0184(7) 0.0161(6) 0.0000(5) 0.0038(5) 0.0019(5) O2 0.0271(5) 0.0189(5) 0.0305(6) 0.0058(4) 0.0112(4) 0.0019(4) O3 0.0188(5) 0.0190(6) 0.0313(5) 0.0012(4) 0.0082(4) -0.0027(4) C3 0.0172(6) 0.0182(7) 0.0163(6) -0.0010(5) 0.0051(5) -0.0006(5) C4 0.0216(7) 0.0150(6) 0.0190(6) 0.0008(5) 0.0061(5) 0.0012(5) O4 0.0370(6) 0.0206(5) 0.0151(5) -0.0008(4) 0.0069(4) 0.0002(4) C5 0.0249(7) 0.0173(7) 0.0171(6) 0.0022(6) 0.0037(5) 0.0023(5) O5 0.0385(6) 0.0212(6) 0.0201(5) -0.0045(5) 0.0103(4) -0.0052(4) C6 0.0233(6) 0.0190(7) 0.0159(6) -0.0016(5) 0.0075(5) 0.0003(5) C8 0.0277(7) 0.0306(8) 0.0175(6) -0.0085(7) 0.0088(5) -0.0053(6) C7 0.0185(6) 0.0181(7) 0.0170(6) -0.0008(5) 0.0065(5) -0.0010(5) C10 0.0214(6) 0.0154(6) 0.0198(6) -0.0014(5) 0.0061(5) -0.0012(5) C9 0.0213(6) 0.0215(7) 0.0190(6) -0.0027(6) 0.0049(5) -0.0026(6) C11 0.0290(7) 0.0178(7) 0.0163(6) 0.0009(6) 0.0056(5) 0.0015(6) C1W 0.0283(8) 0.0294(10) 0.0533(11) -0.0013(7) 0.0056(7) -0.0072(8) O1W 0.0280(6) 0.0364(7) 0.0516(8) -0.0102(5) 0.0024(5) -0.0063(6) C15 0.0327(8) 0.0222(8) 0.0258(7) -0.0028(6) 0.0058(6) -0.0064(6) C14 0.0274(7) 0.0303(9) 0.0256(7) 0.0014(7) 0.0011(6) -0.0007(7) C13 0.0419(9) 0.0240(8) 0.0252(7) -0.0046(7) 0.0184(7) 0.0011(6) C12 0.0216(6) 0.0204(7) 0.0181(6) -0.0025(5) 0.0062(5) -0.0001(6) 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_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle _geom_angle_publ_flag C10 O1 C1 . . 61.27(9) ? O1 C1 C2 . . 115.29(11) ? O1 C1 C10 . . 59.37(9) ? C2 C1 C10 . . 124.12(12) ? O1 C1 C7 . . 109.45(11) ? C2 C1 C7 . . 121.38(12) ? C10 C1 C7 . . 110.43(11) ? C3 C2 C1 . . 129.09(13) ? C3 C2 C11 . . 109.65(12) ? C1 C2 C11 . . 121.26(12) ? C4 O2 H2 . . 109.5 ? C7 O3 H3 . . 109.5 ? C2 C3 C12 . . 107.63(13) ? C2 C3 C4 . . 130.54(13) ? C12 C3 C4 . . 121.60(13) ? O2 C4 C3 . . 109.90(11) ? O2 C4 C5 . . 110.91(12) ? C3 C4 C5 . . 112.44(12) ? O2 C4 H4 . . 107.8 ? C3 C4 H4 . . 107.8 ? C5 C4 H4 . . 107.8 ? C12 O4 C11 . . 109.04(11) ? C4 C5 C6 . . 112.99(11) ? C4 C5 H5A . . 109.0 ? C6 C5 H5A . . 109.0 ? C4 C5 H5B . . 109.0 ? C6 C5 H5B . . 109.0 ? H5A C5 H5B . . 107.8 ? C13 C6 C7 . . 111.48(12) ? C13 C6 C5 . . 112.32(13) ? C7 C6 C5 . . 112.72(12) ? C13 C6 H6 . . 106.6 ? C7 C6 H6 . . 106.6 ? C5 C6 H6 . . 106.6 ? C9 C8 C7 . . 110.70(11) ? C9 C8 H8A . . 109.5 ? C7 C8 H8A . . 109.5 ? C9 C8 H8B . . 109.5 ? C7 C8 H8B . . 109.5 ? H8A C8 H8B . . 108.1 ? O3 C7 C1 . . 108.90(11) ? O3 C7 C6 . . 104.35(11) ? C1 C7 C6 . . 112.83(11) ? O3 C7 C8 . . 111.16(12) ? C1 C7 C8 . . 103.41(11) ? C6 C7 C8 . . 116.19(13) ? O1 C10 C1 . . 59.37(9) ? O1 C10 C9 . . 113.48(11) ? C1 C10 C9 . . 110.80(11) ? O1 C10 H10 . . 119.6 ? C1 C10 H10 . . 119.6 ? C9 C10 H10 . . 119.6 ? C10 C9 C14 . . 108.68(12) ? C10 C9 C15 . . 111.09(13) ? C14 C9 C15 . . 109.12(13) ? C10 C9 C8 . . 103.90(11) ? C14 C9 C8 . . 112.52(14) ? C15 C9 C8 . . 111.42(12) ? O4 C11 C2 . . 104.43(12) ? O4 C11 H11A . . 110.9 ? C2 C11 H11A . . 110.9 ? O4 C11 H11B . . 110.9 ? C2 C11 H11B . . 110.9 ? H11A C11 H11B . . 108.9 ? O1W C1W H1WA . . 109.5 ? O1W C1W H1WB . . 109.5 ? H1WA C1W H1WB . . 109.5 ? O1W C1W H1WC . . 109.5 ? H1WA C1W H1WC . . 109.5 ? H1WB C1W H1WC . . 109.5 ? C1W O1W H1W . . 109.5 ? C9 C15 H15A . . 109.5 ? C9 C15 H15B . . 109.5 ? H15A C15 H15B . . 109.5 ? C9 C15 H15C . . 109.5 ? H15A C15 H15C . . 109.5 ? H15B C15 H15C . . 109.5 ? C9 C14 H14A . . 109.5 ? C9 C14 H14B . . 109.5 ? H14A C14 H14B . . 109.5 ? C9 C14 H14C . . 109.5 ? H14A C14 H14C . . 109.5 ? H14B C14 H14C . . 109.5 ? C6 C13 H13A . . 109.5 ? C6 C13 H13B . . 109.5 ? H13A C13 H13B . . 109.5 ? C6 C13 H13C . . 109.5 ? H13A C13 H13C . . 109.5 ? H13B C13 H13C . . 109.5 ? O5 C12 O4 . . 120.99(12) ? O5 C12 C3 . . 129.81(14) ? O4 C12 C3 . . 109.20(13) ? loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_site_symmetry_2 _geom_bond_distance _geom_bond_publ_flag O1 C10 . 1.4494(18) ? O1 C1 . 1.4495(18) ? C1 C2 . 1.4714(18) ? C1 C10 . 1.477(2) ? C1 C7 . 1.5379(18) ? C2 C3 . 1.334(2) ? C2 C11 . 1.4950(19) ? O2 C4 . 1.4285(18) ? O2 H2 . 0.89(3) ? O3 C7 . 1.4359(17) ? O3 H3 . 0.85(3) ? C3 C12 . 1.4733(18) ? C3 C4 . 1.502(2) ? C4 C5 . 1.5340(19) ? C4 H4 . 1.0 ? O4 C12 . 1.3579(19) ? O4 C11 . 1.4455(18) ? C5 C6 . 1.540(2) ? C5 H5A . 0.99 ? C5 H5B . 0.99 ? O5 C12 . 1.2121(19) ? C6 C13 . 1.5331(19) ? C6 C7 . 1.539(2) ? C6 H6 . 1.0 ? C8 C9 . 1.551(2) ? C8 C7 . 1.5568(19) ? C8 H8A . 0.99 ? C8 H8B . 0.99 ? C10 C9 . 1.5200(18) ? C10 H10 . 1.0 ? C9 C14 . 1.530(2) ? C9 C15 . 1.532(2) ? C11 H11A . 0.99 ? C11 H11B . 0.99 ? C1W O1W . 1.415(3) ? C1W H1WA . 0.98 ? C1W H1WB . 0.98 ? C1W H1WC . 0.98 ? O1W H1W . 0.85(3) ? C15 H15A . 0.98 ? C15 H15B . 0.98 ? C15 H15C . 0.98 ? C14 H14A . 0.98 ? C14 H14B . 0.98 ? C14 H14C . 0.98 ? C13 H13A . 0.98 ? C13 H13B . 0.98 ? C13 H13C . 0.98 ? 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_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion _geom_torsion_publ_flag C10 O1 C1 C2 . . . . -116.18(13) ? C10 O1 C1 C7 . . . . 102.78(12) ? O1 C1 C2 C3 . . . . 177.71(13) ? C10 C1 C2 C3 . . . . 108.85(18) ? C7 C1 C2 C3 . . . . -46.3(2) ? O1 C1 C2 C11 . . . . -1.86(18) ? C10 C1 C2 C11 . . . . -70.71(18) ? C7 C1 C2 C11 . . . . 134.17(14) ? C1 C2 C3 C12 . . . . 178.13(13) ? C11 C2 C3 C12 . . . . -2.26(16) ? C1 C2 C3 C4 . . . . -7.4(2) ? C11 C2 C3 C4 . . . . 172.25(13) ? C2 C3 C4 O2 . . . . -111.85(16) ? C12 C3 C4 O2 . . . . 62.01(17) ? C2 C3 C4 C5 . . . . 12.2(2) ? C12 C3 C4 C5 . . . . -173.92(12) ? O2 C4 C5 C6 . . . . 174.09(12) ? C3 C4 C5 C6 . . . . 50.59(16) ? C4 C5 C6 C13 . . . . 137.29(13) ? C4 C5 C6 C7 . . . . -95.76(14) ? O1 C1 C7 O3 . . . . 55.69(14) ? C2 C1 C7 O3 . . . . -82.56(16) ? C10 C1 C7 O3 . . . . 119.26(13) ? O1 C1 C7 C6 . . . . 171.06(11) ? C2 C1 C7 C6 . . . . 32.81(18) ? C10 C1 C7 C6 . . . . -125.37(13) ? O1 C1 C7 C8 . . . . -62.60(14) ? C2 C1 C7 C8 . . . . 159.15(13) ? C10 C1 C7 C8 . . . . 0.97(16) ? C13 C6 C7 O3 . . . . -73.49(15) ? C5 C6 C7 O3 . . . . 159.12(10) ? C13 C6 C7 C1 . . . . 168.44(12) ? C5 C6 C7 C1 . . . . 41.05(16) ? C13 C6 C7 C8 . . . . 49.26(17) ? C5 C6 C7 C8 . . . . -78.12(15) ? C9 C8 C7 O3 . . . . -122.81(13) ? C9 C8 C7 C1 . . . . -6.11(17) ? C9 C8 C7 C6 . . . . 118.07(15) ? C1 O1 C10 C9 . . . . -101.11(13) ? C2 C1 C10 O1 . . . . 101.44(14) ? C7 C1 C10 O1 . . . . -101.09(12) ? O1 C1 C10 C9 . . . . 105.69(13) ? C2 C1 C10 C9 . . . . -152.87(13) ? C7 C1 C10 C9 . . . . 4.59(17) ? O1 C10 C9 C14 . . . . 176.56(12) ? C1 C10 C9 C14 . . . . 111.98(14) ? O1 C10 C9 C15 . . . . -63.37(15) ? C1 C10 C9 C15 . . . . -127.95(13) ? O1 C10 C9 C8 . . . . 56.54(16) ? C1 C10 C9 C8 . . . . -8.04(17) ? C7 C8 C9 C10 . . . . 8.70(17) ? C7 C8 C9 C14 . . . . -108.67(15) ? C7 C8 C9 C15 . . . . 128.39(14) ? C12 O4 C11 C2 . . . . -0.51(15) ? C3 C2 C11 O4 . . . . 1.78(16) ? C1 C2 C11 O4 . . . . -178.57(12) ? C11 O4 C12 O5 . . . . 179.68(14) ? C11 O4 C12 C3 . . . . -0.80(16) ? C2 C3 C12 O5 . . . . -178.57(15) ? C4 C3 C12 O5 . . . . 6.3(2) ? C2 C3 C12 O4 . . . . 1.97(16) ? C4 C3 C12 O4 . . . . -173.14(12) ?