#------------------------------------------------------------------------------ #$Date: 2020-04-22 23:31:07 +0300 (Wed, 22 Apr 2020) $ #$Revision: 251049 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/55/78/1557855.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_1557855 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 unk _chemical_formula_sum 'C15 H20 O4' _chemical_formula_weight 264.31 _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 103.7600(10) _cell_angle_gamma 90 _cell_formula_units_Z 2 _cell_length_a 6.6612(4) _cell_length_b 11.0697(6) _cell_length_c 9.6314(5) _cell_measurement_reflns_used 9946 _cell_measurement_temperature 150.(2) _cell_measurement_theta_max 79.41 _cell_measurement_theta_min 4.73 _cell_volume 689.81(7) _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 150.(2) _diffrn_measured_fraction_theta_full 0.995 _diffrn_measured_fraction_theta_max 0.995 _diffrn_radiation_wavelength 1.54178 _diffrn_reflns_av_R_equivalents 0.0321 _diffrn_reflns_av_unetI/netI 0.0257 _diffrn_reflns_limit_h_max 8 _diffrn_reflns_limit_h_min -8 _diffrn_reflns_limit_k_max 13 _diffrn_reflns_limit_k_min -13 _diffrn_reflns_limit_l_max 12 _diffrn_reflns_limit_l_min -12 _diffrn_reflns_number 17725 _diffrn_reflns_theta_full 79.40 _diffrn_reflns_theta_max 79.40 _diffrn_reflns_theta_min 4.73 _exptl_absorpt_coefficient_mu 0.747 _exptl_absorpt_correction_T_max 0.92 _exptl_absorpt_correction_T_min 0.78 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details ; ; _exptl_crystal_colour 'light colourless' _exptl_crystal_density_diffrn 1.273 _exptl_crystal_density_method 'not measured' _exptl_crystal_description BLOCK _exptl_crystal_F_000 284 _exptl_crystal_size_max 0.345 _exptl_crystal_size_mid 0.326 _exptl_crystal_size_min 0.110 _refine_diff_density_max 0.192 _refine_diff_density_min -0.198 _refine_ls_abs_structure_details ; Refined as an inversion twin. ; _refine_ls_abs_structure_Flack 0.12(19) _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.047 _refine_ls_hydrogen_treatment mixed _refine_ls_matrix_type full _refine_ls_number_parameters 179 _refine_ls_number_reflns 2917 _refine_ls_number_restraints 1 _refine_ls_restrained_S_all 1.047 _refine_ls_R_factor_all 0.0303 _refine_ls_R_factor_gt 0.0301 _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^)+(0.0422P)^2^+0.1163P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0773 _refine_ls_wR_factor_ref 0.0776 _reflns_number_gt 2891 _reflns_number_total 2917 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file np9b01177_si_004.cif _cod_data_source_block LWL116 _cod_database_code 1557855 _shelx_res_file ; TITL LWL116_0m_a.res in P2(1) LWL116_0m.res created by SHELXL-2016/6 at 10:52:55 on 12-Sep-2018 CELL 1.54178 6.6612 11.0697 9.6314 90.000 103.760 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 30 40 8 SIZE 0.345 0.326 0.110 LIST 4 ! automatically inserted. Change 6 to 4 for CHECKCIF!! ACTA TEMP -123.150 ACTA L.S. 10 FMAP 2 PLAN -4 0 0.00 HTAB TWIN BOND $H CONF WGHT 0.042200 0.116300 BASF 0.11837 FVAR 1.72898 O1 3 -0.083881 0.536928 0.298660 11.00000 0.02752 0.02826 = 0.02000 0.00101 -0.00310 -0.00095 C1 1 0.243265 0.342813 0.847529 11.00000 0.02911 0.02719 = 0.01984 0.00203 -0.00153 -0.00569 AFIX 23 H1A 2 0.092268 0.328755 0.818748 11.00000 -1.20000 H1B 2 0.310072 0.271452 0.901234 11.00000 -1.20000 AFIX 0 C11 1 0.618683 0.514773 0.564005 11.00000 0.02814 0.04658 = 0.02884 -0.00829 0.00974 -0.00695 AFIX 23 H11A 2 0.745649 0.552674 0.547563 11.00000 -1.20000 H11B 2 0.620536 0.427431 0.542250 11.00000 -1.20000 AFIX 0 C15 1 0.507899 0.452133 1.036705 11.00000 0.02492 0.02531 = 0.01631 0.00167 0.00081 -0.00133 C14 1 0.142504 0.476655 1.036968 11.00000 0.02795 0.04888 = 0.02134 0.00343 0.00499 -0.00121 AFIX 137 H14A 2 -0.000237 0.475886 0.979460 11.00000 -1.50000 H14B 2 0.171650 0.554676 1.085681 11.00000 -1.50000 H14C 2 0.161134 0.411777 1.108124 11.00000 -1.50000 AFIX 0 C2 1 0.291749 0.457209 0.938964 11.00000 0.02247 0.02746 = 0.01644 0.00107 -0.00036 -0.00093 O2 3 -0.103732 0.335240 0.306985 11.00000 0.03239 0.02741 = 0.02411 -0.00225 -0.00792 -0.00050 AFIX 148 H2 2 -0.204770 0.347189 0.220683 11.00000 -1.50000 AFIX 0 O3 3 0.611857 0.360525 1.061354 11.00000 0.03096 0.02852 = 0.02765 -0.00250 -0.00636 0.00293 C3 1 0.273698 0.556960 0.825510 11.00000 0.02129 0.02534 = 0.01729 0.00026 0.00013 0.00284 AFIX 23 H3A 2 0.126956 0.578449 0.785932 11.00000 -1.20000 H3B 2 0.349125 0.630269 0.867902 11.00000 -1.20000 AFIX 0 C13 1 -0.027212 0.440477 0.357642 11.00000 0.02141 0.02758 = 0.01770 -0.00257 0.00324 -0.00029 C12 1 0.424832 0.575492 0.473228 11.00000 0.03546 0.04827 = 0.01957 0.00034 0.00348 -0.01121 AFIX 23 H12A 2 0.389564 0.542138 0.375043 11.00000 -1.20000 H12B 2 0.444633 0.663873 0.468107 11.00000 -1.20000 AFIX 0 C4 1 0.369320 0.505558 0.707644 11.00000 0.01966 0.02401 = 0.01708 -0.00041 -0.00108 0.00142 O4 3 0.569465 0.556064 1.098167 11.00000 0.03787 0.02611 = 0.03406 -0.00277 -0.01635 0.00079 AFIX 148 H4 2 0.699400 0.546685 1.160108 11.00000 -1.50000 AFIX 0 C7 1 0.179098 0.338087 0.576584 11.00000 0.02709 0.02540 = 0.01986 -0.00276 -0.00056 0.00062 AFIX 43 H7 2 0.122887 0.260069 0.551135 11.00000 -1.20000 AFIX 0 C6 1 0.131776 0.435429 0.493451 11.00000 0.02220 0.02765 = 0.01801 -0.00270 0.00170 0.00133 C5 1 0.254501 0.545591 0.552834 11.00000 0.02335 0.02638 = 0.01650 -0.00011 -0.00107 -0.00005 AFIX 13 H5 2 0.162597 0.616668 0.554894 11.00000 -1.20000 AFIX 0 C8 1 0.330944 0.365841 0.714606 11.00000 0.02399 0.02165 = 0.01965 -0.00050 -0.00222 0.00135 AFIX 13 H8 2 0.462417 0.319997 0.721963 11.00000 -1.20000 AFIX 0 C10 1 0.660684 0.665076 0.765938 11.00000 0.02594 0.03555 = 0.03098 -0.00392 0.00389 -0.00671 AFIX 137 H10A 2 0.799843 0.682125 0.753755 11.00000 -1.50000 H10B 2 0.658862 0.674481 0.866806 11.00000 -1.50000 H10C 2 0.562094 0.721566 0.707869 11.00000 -1.50000 AFIX 0 C9 1 0.600192 0.535590 0.718143 11.00000 0.02056 0.03141 = 0.02374 -0.00309 0.00152 -0.00044 AFIX 13 H9 2 0.690510 0.477135 0.783847 11.00000 -1.20000 REM ##### AFIX 0 HKLF 4 1 1 0 0 0 1 0 0 0 1 REM LWL116_0m_a.res in P2(1) REM R1 = 0.0301 for 2891 Fo > 4sig(Fo) and 0.0303 for all 2917 data REM 179 parameters refined using 1 restraints END WGHT 0.0422 0.1163 REM Instructions for potential hydrogen bonds EQIV $1 x-1, y, z-1 HTAB O2 O3_$1 EQIV $2 x+1, y, z+1 HTAB O4 O1_$2 REM Highest difference peak 0.192, deepest hole -0.198, 1-sigma level 0.038 Q1 1 0.3209 0.5373 0.7680 11.00000 0.05 0.19 Q2 1 0.3305 0.5610 0.5063 11.00000 0.05 0.18 Q3 1 0.3617 0.4356 0.7192 11.00000 0.05 0.18 Q4 1 0.2769 0.4966 0.8819 11.00000 0.05 0.15 ; _shelx_res_checksum 76890 _shelx_hkl_file ; -1 0 0 3116.59 103.89 -2 0 0 204.38 8.50 -2 0 0 199.78 8.60 -3 0 0 259.07 11.00 -3 0 0 257.77 11.50 -3 0 0 251.57 10.50 -4 0 0 1430.16 50.69 4 0 0 1403.66 48.30 -4 0 0 1378.96 49.40 -4 0 0 1372.66 49.70 5 0 0 4.90 1.30 -5 0 0 6.80 1.60 5 0 0 4.60 1.20 -5 0 0 4.70 1.70 -5 0 0 5.20 1.20 -5 0 0 5.90 1.70 -5 0 0 7.30 1.50 5 0 0 3.90 1.30 -5 0 0 6.40 1.90 -5 0 0 5.30 1.30 6 0 0 121.99 6.50 6 0 0 114.29 6.30 -6 0 0 113.69 7.40 -6 0 0 117.89 6.50 -6 0 0 122.19 7.40 -6 0 0 120.69 7.10 -6 0 0 119.39 7.20 -6 0 0 121.69 8.20 -6 0 0 124.99 6.80 6 0 0 129.29 7.00 -6 0 0 116.99 5.90 -7 0 0 20.00 2.30 7 0 0 20.50 2.10 -7 0 0 18.60 2.20 -7 0 0 21.60 2.50 -7 0 0 19.10 2.60 -7 0 0 19.30 1.60 7 0 0 21.90 2.20 7 0 0 23.00 2.20 -7 0 0 24.90 2.10 8 0 0 132.29 4.80 -8 0 0 117.89 5.10 -8 0 0 111.49 5.10 -8 0 0 116.49 5.00 8 0 0 102.49 4.90 -1 -1 0 4133.49 131.39 -1 1 0 3784.02 130.39 -1 1 0 3917.91 130.39 -1 1 0 3914.11 131.39 -2 -1 0 711.43 25.20 -2 1 0 670.93 24.10 -2 1 0 663.23 24.80 -3 -1 0 4678.33 162.28 -3 -1 0 5174.48 164.58 -3 1 0 4712.53 162.48 -3 1 0 4936.01 163.88 -3 1 0 4786.52 162.88 -4 -1 0 2.90 1.30 -4 -1 0 4.80 1.40 4 1 0 2.60 0.70 -5 -1 0 157.58 9.10 -5 -1 0 166.18 9.20 -5 -1 0 170.58 8.20 -5 -1 0 158.48 7.70 5 -1 0 175.88 8.40 5 -1 0 160.28 7.80 5 -1 0 159.88 7.60 -5 -1 0 164.38 7.60 -5 -1 0 168.48 7.40 -5 -1 0 141.49 10.40 -5 1 0 162.08 8.40 5 1 0 154.08 7.80 -5 1 0 168.08 8.10 -5 1 0 162.18 7.40 -5 1 0 165.78 9.40 -5 1 0 164.98 8.00 -5 1 0 145.49 8.60 5 1 0 158.78 8.40 -5 1 0 159.48 8.60 5 1 0 152.78 7.70 6 -1 0 324.67 14.00 6 -1 0 366.96 14.90 -6 -1 0 359.56 16.40 -6 -1 0 367.16 15.50 6 -1 0 342.87 14.20 -6 -1 0 349.77 15.10 -6 -1 0 336.17 13.60 -6 -1 0 330.47 14.20 -6 -1 0 354.46 16.30 -6 -1 0 342.57 14.40 -6 1 0 356.56 17.10 6 1 0 346.37 14.90 -6 1 0 342.97 14.80 -6 1 0 359.56 15.80 6 1 0 350.26 14.30 -6 1 0 317.17 14.20 -6 1 0 340.57 15.80 -6 1 0 338.97 13.70 6 1 0 338.77 14.20 -6 1 0 358.16 15.20 -6 1 0 345.37 15.50 -7 -1 0 67.99 4.00 -7 -1 0 78.39 4.70 7 -1 0 75.99 4.30 -7 -1 0 71.29 3.60 -7 -1 0 74.39 5.20 7 -1 0 75.69 4.50 7 -1 0 80.09 4.50 -7 -1 0 78.49 4.80 7 1 0 84.89 4.90 -7 1 0 77.99 6.40 -7 1 0 72.69 4.80 7 1 0 78.19 4.40 -7 1 0 75.29 5.20 7 1 0 80.29 4.40 -7 1 0 74.89 4.70 -7 1 0 75.09 4.20 8 -1 0 33.60 1.80 -8 -1 0 29.40 2.00 -8 -1 0 28.20 1.90 -8 -1 0 31.50 2.00 8 1 0 28.90 1.90 -8 1 0 29.40 1.90 8 1 0 31.60 1.60 -8 1 0 27.20 2.00 -8 1 0 31.50 1.90 -1 -2 0 2835.22 96.99 -1 2 0 2925.81 97.19 -2 -2 0 338.77 14.00 -2 2 0 328.87 14.80 -3 -2 0 221.68 11.40 -3 -2 0 233.58 10.00 -3 2 0 242.98 11.40 -4 -2 0 93.79 6.80 -4 -2 0 86.09 5.50 4 -2 0 80.79 4.40 4 2 0 86.39 4.70 -4 2 0 93.19 5.20 -4 2 0 86.69 8.30 5 -2 0 28.20 2.70 5 -2 0 26.90 2.50 -5 -2 0 19.30 4.40 -5 -2 0 23.50 3.00 -5 -2 0 24.20 2.20 5 -2 0 24.10 2.30 -5 -2 0 25.80 2.50 -5 2 0 22.20 2.80 -5 2 0 27.40 3.50 -5 2 0 25.70 2.80 5 2 0 22.60 2.30 5 2 0 20.70 2.60 -5 2 0 23.50 3.10 -5 2 0 27.30 2.60 -5 2 0 23.10 2.70 -5 2 0 24.80 2.60 5 2 0 22.90 2.50 -5 2 0 24.70 2.30 -5 2 0 22.70 2.10 -5 2 0 28.60 4.70 -6 -2 0 247.78 11.60 -6 -2 0 242.78 11.00 6 -2 0 237.08 10.90 -6 -2 0 245.88 10.00 6 -2 0 234.58 10.50 -6 -2 0 235.48 10.60 -6 -2 0 244.48 12.80 -6 -2 0 241.98 10.50 6 -2 0 229.18 10.50 6 2 0 250.77 11.60 -6 2 0 246.68 12.20 -6 2 0 247.68 11.60 -6 2 0 238.38 11.30 -6 2 0 233.48 12.20 6 2 0 242.38 10.70 -6 2 0 244.98 11.00 -6 2 0 227.98 11.70 -6 2 0 252.37 13.60 6 2 0 240.18 10.70 -6 2 0 245.88 10.30 -7 -2 0 64.99 4.80 -7 -2 0 72.29 4.20 -7 -2 0 63.99 5.40 -7 -2 0 65.09 3.60 7 -2 0 66.89 3.90 7 -2 0 68.09 4.20 -7 -2 0 67.89 4.50 7 -2 0 72.29 4.00 7 2 0 68.19 4.00 -7 2 0 69.69 5.30 7 2 0 68.79 4.40 -7 2 0 65.79 4.50 -7 2 0 74.79 4.10 -7 2 0 67.79 4.40 -7 2 0 65.09 4.70 -7 2 0 67.29 4.40 7 2 0 69.69 4.00 8 -2 0 104.19 4.00 -8 -2 0 92.99 4.30 -8 -2 0 93.89 4.20 8 2 0 86.39 4.20 -8 2 0 111.39 5.70 -8 2 0 94.09 4.30 0 -3 0 -0.10 0.20 0 3 0 -0.20 0.30 -1 -3 0 330.87 13.50 1 3 0 336.47 12.60 -1 3 0 349.67 13.90 -2 -3 0 226.98 10.80 -2 3 0 230.48 10.90 -3 -3 0 279.67 13.50 -3 -3 0 270.87 12.10 -3 -3 0 260.07 11.30 -3 3 0 275.07 13.30 3 3 0 265.67 10.70 -4 -3 0 118.89 7.00 -4 -3 0 116.99 8.50 4 -3 0 114.09 5.60 -4 3 0 116.89 7.00 -4 3 0 121.39 7.50 -4 3 0 125.79 6.60 4 3 0 128.09 7.00 4 3 0 116.29 6.00 -4 3 0 119.39 8.30 -4 3 0 133.49 7.50 -4 3 0 126.39 6.50 4 3 0 122.59 6.10 -5 -3 0 338.37 15.60 -5 -3 0 337.17 13.50 -5 -3 0 332.47 18.30 5 -3 0 323.87 13.90 5 -3 0 339.47 13.50 -5 3 0 357.26 16.80 -5 3 0 327.17 13.40 -5 3 0 360.36 14.70 5 3 0 302.77 14.80 -5 3 0 334.77 15.60 -5 3 0 340.87 15.40 -5 3 0 334.17 15.60 5 3 0 337.87 14.80 5 3 0 320.07 13.70 -5 3 0 350.26 14.60 5 3 0 340.47 13.80 -5 3 0 295.27 17.10 -5 3 0 347.17 14.30 -5 3 0 324.47 14.10 -6 -3 0 146.79 7.20 -6 -3 0 145.89 6.80 -6 -3 0 150.28 9.30 6 -3 0 126.59 6.90 6 -3 0 132.59 7.00 -6 -3 0 145.69 7.10 -6 -3 0 152.78 8.20 -6 3 0 154.88 9.20 -6 3 0 149.69 8.20 -6 3 0 154.48 8.10 6 3 0 156.28 8.20 6 3 0 158.28 7.30 -6 3 0 149.88 8.50 -6 3 0 145.49 7.50 6 3 0 152.78 10.10 -6 3 0 145.09 8.90 -6 3 0 144.79 7.00 6 3 0 151.18 7.20 -6 3 0 145.29 9.90 -7 -3 0 57.49 4.00 -7 -3 0 54.29 3.30 -7 -3 0 49.50 4.70 7 -3 0 51.39 3.10 -7 -3 0 49.00 2.80 7 -3 0 47.40 3.00 7 3 0 47.80 3.20 7 3 0 47.40 3.50 -7 3 0 45.70 3.50 -7 3 0 52.49 3.80 -7 3 0 50.49 4.40 -7 3 0 50.39 2.90 7 3 0 47.90 3.00 -7 3 0 49.80 3.80 -7 3 0 47.10 3.10 -8 -3 0 6.90 0.90 8 3 0 7.00 1.00 -8 3 0 8.50 0.80 0 -4 0 4566.24 151.28 0 4 0 4470.25 151.88 -1 -4 0 301.67 13.20 1 4 0 314.67 12.30 -1 4 0 312.47 13.70 -2 -4 0 293.17 13.70 -2 -4 0 306.87 12.20 -2 4 0 287.37 13.90 -3 -4 0 39.40 4.10 -3 -4 0 36.10 3.30 -3 -4 0 33.70 3.10 -3 -4 0 33.40 3.80 3 4 0 35.30 2.50 -3 4 0 39.60 4.20 4 -4 0 116.69 5.30 -4 -4 0 110.19 6.90 -4 -4 0 122.89 8.80 -4 -4 0 106.09 7.40 4 4 0 104.99 5.60 4 4 0 127.89 9.10 -4 4 0 111.79 9.40 -4 4 0 115.79 7.30 -4 4 0 124.99 7.40 -4 4 0 113.39 8.10 4 4 0 98.79 6.80 -4 4 0 113.59 6.70 -4 4 0 114.79 6.30 -4 4 0 123.09 8.20 -4 4 0 111.89 6.30 -4 4 0 108.19 8.50 5 -4 0 99.59 5.30 -5 -4 0 97.39 7.10 -5 -4 0 96.19 9.20 5 4 0 97.89 5.40 -5 4 0 103.99 5.50 5 4 0 100.59 7.10 -5 4 0 106.89 6.30 5 4 0 99.89 6.40 -5 4 0 107.29 10.10 -5 4 0 98.39 6.50 -5 4 0 97.39 6.50 5 4 0 90.59 5.30 -5 4 0 112.49 8.20 -5 4 0 106.09 7.40 -5 4 0 98.09 6.50 -5 4 0 109.89 6.60 -5 4 0 113.89 9.40 -6 -4 0 1017.70 35.60 -6 -4 0 992.90 35.50 6 -4 0 955.90 35.40 -6 -4 0 1032.80 39.10 6 -4 0 964.80 35.40 6 4 0 990.50 35.40 -6 4 0 1025.90 36.60 -6 4 0 977.60 36.50 -6 4 0 1008.90 41.70 6 4 0 910.91 36.70 -6 4 0 1034.00 39.20 6 4 0 1137.99 41.00 -6 4 0 990.10 35.50 -6 4 0 1013.00 37.80 -6 4 0 1004.00 38.60 -6 4 0 1009.90 37.70 6 4 0 963.70 35.30 -6 4 0 992.40 39.20 -7 -4 0 2.40 1.70 -7 -4 0 3.70 0.80 -7 -4 0 2.50 0.80 7 -4 0 2.80 0.90 -7 4 0 2.50 1.00 -7 4 0 3.10 1.00 -7 4 0 2.30 0.80 -7 4 0 4.10 0.80 -7 4 0 1.00 1.10 7 4 0 1.90 0.80 -7 4 0 1.10 0.80 0 -5 0 1.10 0.60 0 5 0 0.90 0.60 -1 -5 0 104.79 6.40 1 -5 0 98.19 5.10 -1 5 0 103.69 6.70 1 5 0 106.79 7.70 -2 -5 0 99.19 5.70 -2 -5 0 98.59 5.70 -2 -5 0 96.49 6.80 -2 5 0 101.59 7.20 -3 -5 0 3063.69 109.69 -3 -5 0 3068.39 107.29 -3 -5 0 2810.82 106.49 -3 -5 0 3157.28 106.69 -3 5 0 3155.18 109.99 3 5 0 3358.86 105.39 -4 -5 0 83.09 6.20 -4 -5 0 87.09 6.00 -4 -5 0 94.89 7.80 -4 5 0 84.99 5.10 -4 5 0 79.59 5.70 -4 5 0 77.39 5.30 -4 5 0 79.89 4.50 -4 5 0 92.59 6.70 -4 5 0 85.19 6.50 -4 5 0 91.79 5.70 -4 5 0 86.29 5.40 -4 5 0 82.29 5.70 -4 5 0 89.29 4.70 4 5 0 85.79 5.50 -4 5 0 83.79 5.00 -4 5 0 84.09 7.50 -4 5 0 82.19 5.50 4 5 0 80.29 4.40 -4 5 0 83.89 6.30 -5 -5 0 65.19 8.10 5 -5 0 73.29 4.20 -5 -5 0 73.49 6.00 -5 5 0 74.89 6.60 5 5 0 75.29 5.30 -5 5 0 67.29 4.90 5 5 0 67.89 5.50 -5 5 0 78.59 6.50 5 5 0 68.99 4.20 -5 5 0 65.89 7.40 -5 5 0 74.79 5.10 -5 5 0 71.79 5.40 -5 5 0 73.09 4.40 -5 5 0 72.19 5.80 -5 5 0 78.99 5.20 -5 5 0 78.59 5.40 5 5 0 71.39 4.10 -6 -5 0 53.69 3.40 6 -5 0 58.19 3.60 -6 -5 0 55.09 5.20 6 -5 0 62.89 3.70 -6 5 0 51.29 4.10 -6 5 0 50.29 4.30 -6 5 0 59.89 4.30 6 5 0 50.79 3.00 -6 5 0 53.09 3.50 -6 5 0 51.99 5.60 -6 5 0 57.09 4.50 6 5 0 50.19 4.10 -6 5 0 51.39 4.30 -6 5 0 56.79 4.10 -6 5 0 61.79 5.40 6 5 0 52.09 4.10 7 -5 0 222.68 8.40 -7 -5 0 206.98 10.20 -7 -5 0 220.78 9.10 -7 -5 0 204.48 8.60 7 -5 0 187.18 8.90 -7 5 0 215.58 10.50 7 5 0 216.68 8.90 -7 5 0 211.98 9.00 -7 5 0 211.18 8.30 -7 5 0 210.08 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113.29 5.70 -5 -3 9 117.09 6.40 -5 3 9 118.19 6.40 -5 3 9 110.69 5.90 -5 3 9 106.59 5.00 5 3 -9 121.09 5.70 -5 3 9 128.19 7.30 5 3 -9 115.29 6.70 5 3 -9 119.59 5.70 -4 -3 9 90.09 5.20 4 -3 -9 103.69 7.20 -4 -3 9 93.09 4.80 -4 -3 9 86.19 4.70 4 -3 -9 85.89 5.40 -4 -3 9 91.99 5.30 4 -3 -9 92.39 5.40 -4 3 9 95.19 5.60 -4 3 9 88.99 4.90 4 3 -9 97.29 5.20 4 3 -9 96.79 6.40 -4 3 9 94.09 4.60 4 3 -9 98.79 5.30 -4 3 9 87.39 5.50 -4 3 9 91.59 5.30 3 -3 -9 88.89 5.80 -3 -3 9 92.49 5.50 3 -3 -9 80.69 5.40 -3 -3 9 83.39 4.60 3 -3 -9 88.69 5.50 -3 -3 9 87.19 4.60 3 3 -9 93.79 5.30 -3 3 9 89.19 5.20 -3 3 9 79.39 4.50 -3 3 9 86.19 5.00 -3 3 9 73.69 4.40 3 3 -9 89.09 5.10 -3 3 9 95.69 5.40 3 3 -9 85.49 6.50 -3 3 9 88.19 4.60 3 3 -9 92.89 6.60 -2 -3 9 186.68 12.20 2 -3 -9 172.68 9.10 2 -3 -9 160.28 12.50 -2 -3 9 153.58 9.00 2 -3 -9 168.98 9.00 -2 -3 9 170.48 8.20 -2 3 9 176.28 9.00 -2 3 9 166.98 8.40 2 3 -9 174.28 9.90 -2 3 9 163.38 7.40 2 3 -9 182.28 8.20 -2 3 9 158.08 7.30 2 3 -9 174.38 8.00 -2 3 9 164.68 8.10 -2 3 9 166.38 7.90 1 -3 -9 190.58 10.70 1 -3 -9 188.58 10.10 -1 -3 9 200.58 9.40 -1 -3 9 187.88 9.90 1 -3 -9 192.48 10.30 1 3 -9 196.48 10.70 1 3 -9 198.98 13.10 -1 3 9 197.78 8.70 -1 3 9 185.48 8.20 -1 3 9 189.98 9.10 -1 3 9 184.08 8.70 1 3 -9 206.78 11.00 -1 3 9 198.68 8.10 -1 3 9 186.58 8.50 -1 3 9 190.08 8.10 -1 3 9 191.78 12.20 0 -3 9 328.27 12.40 0 -3 -9 333.87 16.50 0 -3 -9 337.87 15.60 0 -3 9 339.57 14.20 0 -3 -9 358.26 15.30 0 3 9 338.57 13.20 0 3 -9 352.36 16.30 0 3 -9 346.27 15.80 0 3 9 352.46 14.50 0 3 9 332.07 13.00 0 3 9 328.87 13.20 -1 -3 -9 37.10 4.20 1 -3 9 36.20 3.00 -1 -3 -9 45.50 3.70 1 -3 9 37.80 3.40 -1 -3 -9 34.60 4.70 -1 -3 -9 40.70 4.00 -1 3 -9 33.50 3.30 -1 3 -9 35.50 3.80 1 3 9 37.70 2.50 1 3 9 38.00 2.50 1 3 9 38.80 3.30 -2 -3 -9 8.70 2.10 2 -3 9 9.90 1.80 2 -3 9 12.50 1.50 2 3 9 10.60 1.50 -2 3 -9 9.40 2.00 2 3 9 8.90 1.00 2 3 9 10.70 1.10 3 -3 9 7.60 1.80 3 -3 9 6.60 1.00 -3 -3 -9 5.80 1.40 -3 3 -9 7.40 1.20 3 3 9 7.40 0.70 3 3 9 7.30 1.20 -6 -4 9 21.70 1.50 -6 4 9 21.40 2.00 6 4 -9 22.30 2.10 -6 4 9 20.70 1.60 -6 4 9 20.80 1.70 5 -4 -9 29.70 2.20 -5 -4 9 26.20 2.20 -5 -4 9 37.90 3.60 5 -4 -9 30.20 2.30 -5 -4 9 28.30 2.20 -5 -4 9 28.90 2.10 -5 4 9 23.60 2.40 -5 4 9 25.10 2.10 -5 4 9 26.10 1.90 5 4 -9 28.10 2.80 5 4 -9 28.70 2.00 -5 4 9 26.70 2.50 -5 4 9 27.10 2.50 -4 -4 9 9.60 1.10 -4 -4 9 8.10 1.20 4 -4 -9 5.60 1.50 -4 -4 9 8.30 1.70 -4 -4 9 9.30 1.20 4 -4 -9 6.40 1.60 4 4 -9 6.40 1.40 4 4 -9 9.20 1.40 -4 4 9 8.00 1.30 -4 4 9 6.00 1.20 -4 4 9 7.40 1.60 -4 4 9 4.50 1.60 -4 4 9 6.60 1.60 4 4 -9 8.10 2.30 4 4 -9 6.10 1.60 -4 4 9 7.40 1.00 -3 -4 9 15.40 2.10 -3 -4 9 13.90 1.40 3 -4 -9 14.10 2.50 -3 -4 9 13.40 1.80 3 -4 -9 11.90 2.30 3 -4 -9 10.80 2.30 3 4 -9 11.60 2.00 -3 4 9 14.00 1.70 3 4 -9 15.60 3.00 3 4 -9 12.80 2.70 -3 4 9 13.60 1.70 -3 4 9 14.70 2.00 3 4 -9 11.40 1.70 -3 4 9 14.30 1.70 -3 4 9 14.50 1.60 -3 4 9 13.00 2.70 -3 4 9 14.40 1.80 2 -4 -9 13.50 2.10 -2 -4 9 13.90 2.50 2 -4 -9 9.40 2.10 -2 -4 9 12.00 1.60 2 -4 -9 12.90 1.90 2 4 -9 14.50 2.90 -2 4 9 13.10 1.70 -2 4 9 13.70 1.60 -2 4 9 12.60 2.50 2 4 -9 12.30 1.50 -2 4 9 15.70 1.50 -2 4 9 14.20 1.50 2 4 -9 14.40 2.40 -2 4 9 11.70 1.60 -1 -4 9 58.99 4.00 1 -4 -9 56.39 4.90 1 -4 -9 45.80 4.50 -1 -4 9 60.59 4.40 -1 -4 9 55.79 4.60 1 -4 -9 62.59 4.90 -1 4 9 56.09 3.50 -1 4 9 51.59 3.60 -1 4 9 51.69 3.40 1 4 -9 56.29 4.70 -1 4 9 53.09 3.40 -1 4 9 54.29 3.30 1 4 -9 63.79 5.20 -1 4 9 50.29 4.10 -1 4 9 55.89 3.40 1 4 -9 58.69 5.70 0 -4 -9 10.30 2.50 0 -4 9 11.80 1.90 0 -4 -9 11.00 2.40 0 -4 -9 15.80 2.60 0 -4 9 10.40 1.60 0 -4 9 12.10 2.40 0 4 -9 13.20 2.10 0 4 9 13.40 1.40 0 4 9 15.30 1.90 0 4 9 12.40 1.30 0 4 9 14.30 1.50 0 4 9 12.00 1.50 0 4 -9 11.80 2.30 -1 -4 -9 35.30 3.40 -1 -4 -9 30.90 3.50 -1 -4 -9 25.50 3.20 1 -4 9 25.90 2.70 1 -4 9 25.70 2.50 -1 4 -9 23.00 2.70 1 4 9 26.30 2.50 1 4 9 25.00 2.00 1 4 9 25.90 1.90 -1 4 -9 26.70 2.90 -1 4 -9 21.40 2.10 2 -4 9 39.50 2.90 -2 -4 -9 36.20 3.60 2 -4 9 42.00 3.00 -2 -4 -9 46.30 4.90 -2 -4 -9 37.00 2.70 2 4 9 33.50 2.20 -2 4 -9 42.10 3.30 2 4 9 36.10 3.10 2 4 9 35.80 2.20 -3 -4 -9 485.75 19.40 3 -4 9 517.55 19.80 -3 4 -9 541.85 21.20 3 4 9 527.15 19.00 3 4 9 507.95 17.70 -6 -5 9 48.80 2.60 -6 -5 9 49.10 2.40 6 5 -9 55.89 2.90 -6 5 9 51.19 2.80 -5 -5 9 100.69 4.70 5 -5 -9 112.09 5.00 -5 -5 9 116.89 5.20 -5 -5 9 126.99 6.70 5 -5 -9 110.99 5.00 -5 -5 9 119.59 5.10 -5 5 9 108.19 4.90 5 5 -9 108.09 5.90 -5 5 9 106.29 5.20 -5 5 9 113.39 5.70 -5 5 9 103.59 5.50 -5 5 9 112.79 5.50 -4 -5 9 24.20 2.10 4 -5 -9 25.10 2.40 -4 -5 9 27.50 1.70 -4 -5 9 27.00 2.40 -4 -5 9 27.30 2.10 4 -5 -9 24.90 2.50 4 5 -9 26.40 3.10 -4 5 9 21.40 2.50 -4 5 9 23.90 2.00 -4 5 9 21.60 2.20 -4 5 9 28.50 2.70 4 5 -9 24.80 2.80 -4 5 9 25.50 1.90 -4 5 9 27.10 2.40 -3 -5 9 -0.30 0.60 -3 -5 9 -0.10 0.80 3 -5 -9 -0.60 0.70 -3 -5 9 0.60 0.40 3 -5 -9 -1.40 0.90 -3 5 9 -0.40 0.50 -3 5 9 0.00 1.80 3 5 -9 0.10 1.00 3 5 -9 0.40 0.90 -3 5 9 0.40 0.70 -3 5 9 -0.50 0.30 -3 5 9 1.00 0.70 -3 5 9 1.40 1.10 2 -5 -9 212.88 10.40 -2 -5 9 211.58 10.00 2 -5 -9 212.28 10.30 -2 -5 9 210.38 9.50 2 -5 -9 203.58 10.30 2 5 -9 204.68 11.80 2 5 -9 207.88 10.50 -2 5 9 215.48 9.20 -2 5 9 222.48 9.20 -2 5 9 205.68 9.90 -2 5 9 209.68 9.20 -2 5 9 193.78 8.70 1 -5 -9 256.27 12.50 -1 -5 9 258.67 11.40 -1 -5 9 254.07 11.80 1 -5 -9 273.37 12.80 1 5 -9 268.17 12.40 -1 5 9 264.77 10.50 1 5 -9 261.07 14.10 -1 5 9 266.17 10.80 -1 5 9 271.07 11.50 -1 5 9 265.97 10.90 -1 5 9 257.37 10.70 0 -5 -9 221.18 11.50 0 -5 -9 215.58 11.10 0 -5 9 217.28 10.20 0 -5 9 229.78 10.10 0 -5 9 216.18 10.60 0 -5 -9 228.78 11.00 0 5 9 219.08 8.90 0 5 9 225.58 9.30 0 5 9 208.38 9.40 0 5 -9 241.88 12.90 0 5 9 220.38 9.30 0 5 9 215.88 9.00 0 5 -9 208.18 10.00 0 5 -9 236.38 11.30 1 -5 9 35.40 3.20 -1 -5 -9 40.70 3.90 1 -5 9 32.50 3.00 -1 -5 -9 39.00 3.70 1 -5 9 35.30 2.90 -1 -5 -9 38.50 3.60 1 5 9 37.80 2.80 -1 5 -9 36.20 4.10 -1 5 -9 37.60 3.40 -1 5 -9 31.50 2.50 1 5 9 36.20 2.30 1 5 9 35.80 2.50 -2 -5 -9 44.20 2.70 2 -5 9 43.40 2.90 -2 -5 -9 40.20 3.60 2 5 9 40.20 2.70 2 5 9 39.80 2.20 -2 5 -9 45.60 4.00 2 5 9 35.80 2.30 -2 5 -9 42.90 3.10 -3 -5 -9 57.29 3.40 -3 5 -9 62.29 3.20 -3 5 -9 65.99 3.70 3 5 9 68.49 3.00 -5 -6 9 93.99 4.60 -5 -6 9 102.69 4.50 -5 6 9 105.29 4.90 5 6 -9 105.29 5.10 -5 6 9 105.39 4.70 -5 6 9 100.79 5.00 -4 -6 9 81.99 4.10 -4 -6 9 96.59 4.40 -4 -6 9 96.69 5.20 4 -6 -9 89.99 4.60 4 -6 -9 87.39 4.50 -4 6 9 91.79 4.80 -4 6 9 97.69 4.50 4 6 -9 91.39 5.20 -4 6 9 88.69 4.90 -4 6 9 73.09 4.40 4 6 -9 90.19 5.70 -4 6 9 93.29 5.00 -3 -6 9 18.40 1.40 3 -6 -9 11.00 2.10 -3 -6 9 14.40 2.20 -3 -6 9 13.70 1.60 3 -6 -9 12.80 2.00 -3 -6 9 16.20 1.60 3 6 -9 18.10 2.20 -3 6 9 15.10 1.80 -3 6 9 18.30 2.00 -3 6 9 17.40 3.30 -3 6 9 15.70 1.50 -3 6 9 18.90 2.10 2 -6 -9 47.90 3.90 -2 -6 9 49.50 3.50 2 -6 -9 47.00 4.10 -2 -6 9 48.70 3.80 -2 6 9 50.19 4.30 -2 6 9 48.80 3.30 2 6 -9 50.99 5.00 -2 6 9 48.60 3.20 -2 6 9 49.90 3.20 -2 6 9 46.50 3.00 2 6 -9 47.30 3.80 -1 -6 9 74.99 4.50 1 -6 -9 75.19 5.20 1 -6 -9 68.69 5.20 -1 -6 9 74.69 4.70 1 -6 -9 71.89 5.20 1 6 -9 68.79 4.10 -1 6 9 76.89 4.80 1 6 -9 67.29 5.80 -1 6 9 76.29 4.10 -1 6 9 72.39 3.80 1 6 -9 77.99 6.30 -1 6 9 65.59 3.70 -1 6 9 77.19 4.20 0 -6 9 2.80 0.90 0 -6 9 6.00 1.70 0 -6 -9 2.60 1.50 0 -6 -9 0.90 1.20 0 -6 -9 3.20 1.40 0 6 -9 3.00 1.30 0 6 9 1.50 1.20 0 6 -9 3.60 1.60 0 6 9 3.80 0.70 0 6 -9 2.90 0.80 0 6 9 1.70 0.60 1 -6 9 5.40 1.30 -1 -6 -9 7.40 1.80 1 -6 9 5.10 1.20 -1 -6 -9 6.60 1.80 -1 6 -9 4.10 1.00 1 6 9 5.30 0.80 1 6 9 6.30 0.80 1 6 9 6.20 0.80 -1 6 -9 5.90 1.80 -1 6 -9 5.70 1.00 1 6 9 5.70 1.00 -2 -6 -9 65.19 4.30 2 -6 9 57.19 3.30 2 6 9 61.79 3.00 -2 6 -9 64.09 3.60 2 6 9 59.79 2.70 2 6 9 63.69 3.00 -2 6 -9 69.39 4.20 -5 -7 9 4.90 0.60 -5 -7 9 5.10 0.60 -5 7 9 5.80 0.90 -5 7 9 4.60 0.90 -4 -7 9 15.40 1.20 -4 -7 9 15.80 1.80 4 7 -9 12.90 1.60 -4 7 9 16.40 1.90 -4 7 9 15.70 2.50 -4 7 9 15.50 1.50 4 7 -9 16.40 2.10 -4 7 9 14.60 1.30 4 7 -9 14.00 1.40 -3 -7 9 32.60 2.30 3 -7 -9 40.30 3.00 -3 -7 9 34.40 2.00 3 -7 -9 37.50 2.80 -3 -7 9 35.90 2.90 -3 7 9 41.60 2.90 -3 7 9 35.50 2.30 -3 7 9 43.50 4.00 -3 7 9 35.40 2.60 -3 7 9 41.40 2.70 3 7 -9 34.80 2.70 3 7 -9 37.40 3.60 -2 -7 9 121.89 5.30 -2 -7 9 126.59 6.20 2 -7 -9 134.39 6.70 -2 -7 9 122.59 6.70 2 -7 -9 124.89 6.80 -2 7 9 139.49 6.90 2 7 -9 111.49 5.80 2 7 -9 141.09 7.90 -2 7 9 134.09 6.00 -2 7 9 132.89 6.10 -2 7 9 123.19 5.90 1 -7 -9 55.59 4.20 1 -7 -9 52.49 4.20 -1 -7 9 57.59 3.80 -1 -7 9 55.49 3.70 1 -7 -9 49.30 4.90 1 7 -9 45.80 3.00 -1 7 9 55.79 3.30 -1 7 9 54.19 3.90 -1 7 9 53.39 3.00 -1 7 9 55.09 3.30 1 7 -9 58.09 4.80 0 -7 -9 129.29 7.50 0 -7 -9 115.09 6.60 0 -7 -9 127.89 7.00 0 -7 9 135.19 6.50 0 -7 9 133.79 6.30 0 7 9 124.89 5.30 0 7 9 111.19 5.60 0 7 9 122.89 5.50 0 7 -9 144.09 7.80 0 7 -9 130.69 6.10 0 7 -9 132.69 6.40 0 7 9 126.69 5.70 1 -7 9 25.20 2.00 -1 -7 -9 27.20 2.60 -1 -7 -9 26.90 2.90 -1 -7 -9 24.50 2.60 -1 7 -9 30.10 2.80 1 7 9 26.40 1.80 1 7 9 24.00 1.70 -1 7 -9 21.30 1.60 1 7 9 26.10 1.70 -1 7 -9 25.50 2.10 -2 -7 -9 0.00 0.50 2 -7 9 -0.30 0.30 -2 7 -9 -0.30 0.30 -4 -8 9 85.29 3.60 4 8 -9 100.59 4.90 -4 8 9 85.59 3.80 -4 8 9 87.29 4.00 -4 8 9 81.59 4.30 3 8 -9 28.90 2.20 -3 8 9 34.90 2.40 -3 8 9 30.40 1.90 3 8 -9 29.60 2.80 -3 8 9 32.50 3.20 2 -8 -9 75.29 4.10 -2 -8 9 69.49 3.90 2 -8 -9 74.69 4.20 -2 8 9 76.59 3.90 2 8 -9 82.49 5.20 -2 8 9 75.89 4.60 -2 8 9 72.69 3.50 -2 8 9 79.19 3.90 2 8 -9 73.99 4.30 1 -8 -9 74.99 4.50 1 -8 -9 77.59 4.40 -1 -8 9 67.59 3.90 -1 8 9 70.99 4.10 1 8 -9 71.29 4.20 1 8 -9 78.39 5.00 -1 8 9 69.59 3.40 -1 8 9 73.09 3.70 -1 8 9 72.69 3.70 0 -8 -9 96.59 5.10 0 -8 -9 91.19 4.70 0 -8 9 87.19 4.30 0 -8 -9 78.59 4.30 0 8 9 82.79 3.80 0 8 9 84.19 4.00 0 8 -9 83.89 4.70 0 8 -9 90.79 5.10 0 8 -9 70.29 3.70 0 8 9 82.29 3.60 1 -8 9 56.69 3.00 -1 -8 -9 65.79 3.40 -1 -8 -9 61.19 4.20 -1 8 -9 53.59 2.90 1 8 9 59.49 2.80 -3 -9 9 82.99 3.40 -3 9 9 81.49 3.50 -3 9 9 86.19 3.80 -3 9 9 87.99 3.80 3 9 -9 94.29 4.50 -2 -9 9 13.20 1.10 -2 9 9 12.90 1.30 -2 9 9 11.80 1.90 -2 9 9 12.40 0.90 2 9 -9 12.90 1.60 2 9 -9 12.00 1.20 -2 9 9 12.70 1.20 1 -9 -9 49.00 2.90 -1 -9 9 43.40 2.50 -1 9 9 46.20 2.40 -1 9 9 44.90 2.60 -1 9 9 45.20 2.40 1 9 -9 42.60 2.60 1 9 -9 52.29 3.00 0 -9 -9 18.90 1.90 0 -9 9 17.70 1.30 0 9 9 18.60 1.40 6 0 -10 1.60 0.50 -6 0 10 1.40 0.60 -6 0 10 0.90 0.40 5 0 -10 75.89 4.00 -5 0 10 64.69 3.70 5 0 -10 67.39 4.10 -5 0 10 69.49 3.70 -5 0 10 73.39 4.30 5 0 -10 72.79 4.00 -4 0 10 4.40 0.90 4 0 -10 4.20 0.90 4 0 -10 3.70 1.00 4 0 -10 3.10 1.10 -4 0 10 2.10 0.90 -4 0 10 4.20 1.00 -4 0 10 4.30 1.20 3 0 -10 97.19 5.60 -3 0 10 95.09 4.50 -3 0 10 97.99 5.20 3 0 -10 100.79 6.50 3 0 -10 105.79 5.70 -3 0 10 99.09 5.50 -3 0 10 91.69 4.70 -2 0 10 1.90 0.60 -2 0 10 2.20 1.00 -2 0 10 0.90 0.40 2 0 -10 1.20 0.80 -2 0 10 1.30 0.70 2 0 -10 2.70 1.00 2 0 -10 3.60 1.20 1 0 -10 216.18 9.80 1 0 -10 228.38 11.50 -1 0 10 217.58 8.70 1 0 -10 222.78 10.00 1 0 -10 226.18 11.60 -1 0 10 226.68 10.70 -1 0 10 212.68 9.30 -1 0 10 229.88 9.90 0 0 10 11.50 1.30 0 0 -10 12.40 3.40 0 0 10 9.70 1.00 0 0 -10 10.60 1.60 0 0 -10 8.00 2.00 0 0 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38.60 2.80 3 1 -10 35.90 3.60 3 1 -10 39.20 3.10 -3 1 10 32.90 2.80 -3 1 10 35.80 2.90 -3 1 10 37.50 2.90 -3 1 10 38.50 2.30 3 1 -10 37.30 3.10 -2 -1 10 33.40 2.80 2 -1 -10 28.60 3.40 -2 -1 10 31.60 3.00 2 -1 -10 32.30 3.10 -2 -1 10 31.10 2.10 -2 -1 10 33.30 2.60 -2 -1 10 33.40 2.00 2 -1 -10 36.70 3.30 2 1 -10 30.10 3.40 2 1 -10 34.30 2.80 -2 1 10 34.50 2.50 2 1 -10 31.90 2.80 -2 1 10 30.50 2.80 2 1 -10 28.50 3.60 -2 1 10 30.10 2.10 -2 1 10 31.70 2.60 -1 -1 10 14.10 1.20 1 -1 -10 15.60 2.40 1 -1 -10 6.70 2.70 -1 -1 10 17.40 2.10 -1 -1 10 13.00 1.50 1 -1 -10 14.10 2.30 1 -1 -10 9.00 2.10 -1 -1 10 15.80 1.90 -1 1 10 14.90 2.00 1 1 -10 17.50 2.50 1 1 -10 23.00 3.60 1 1 -10 18.40 3.40 -1 1 10 13.60 1.60 -1 1 10 13.40 1.70 1 1 -10 14.00 2.30 -1 1 10 13.10 1.30 1 1 -10 16.90 2.00 0 -1 -10 30.00 2.70 0 -1 10 26.80 2.80 0 -1 -10 32.40 3.90 0 -1 -10 23.20 2.60 0 -1 -10 25.60 3.00 0 -1 10 27.20 1.80 0 1 10 26.00 2.60 0 1 10 29.50 2.00 0 1 -10 29.60 3.30 0 1 10 28.00 2.10 0 1 -10 27.30 3.30 -1 -1 -10 100.49 6.20 1 -1 10 85.09 4.40 -1 -1 -10 102.89 6.40 1 -1 10 95.79 4.50 1 -1 10 101.99 5.70 1 -1 10 101.99 4.20 -1 1 -10 86.89 7.40 1 1 10 100.49 5.60 -1 1 -10 101.39 6.20 1 1 10 97.99 4.40 1 1 10 86.09 4.20 2 -1 10 141.99 5.40 2 -1 10 154.38 6.80 2 -1 10 125.99 5.30 -2 -1 -10 146.49 6.90 2 1 10 142.09 5.60 2 1 10 147.09 6.70 -2 1 -10 117.89 6.00 -2 1 -10 142.29 7.20 3 -1 10 61.39 2.50 -6 -2 10 27.70 2.20 -6 -2 10 24.10 1.50 6 -2 -10 24.40 1.60 -6 -2 10 19.40 1.50 -6 2 10 22.10 1.60 -6 2 10 23.20 1.80 6 2 -10 20.50 1.50 5 -2 -10 5.20 1.10 5 -2 -10 3.90 0.90 -5 -2 10 5.10 0.90 -5 -2 10 4.20 0.80 -5 -2 10 5.30 0.70 -5 -2 10 4.50 1.00 -5 2 10 5.10 0.90 5 2 -10 4.50 1.20 5 2 -10 5.50 1.10 -5 2 10 4.90 1.00 5 2 -10 4.80 1.10 -5 2 10 5.50 1.20 -4 -2 10 66.19 4.10 4 -2 -10 61.59 4.00 -4 -2 10 66.49 3.80 4 -2 -10 69.29 4.20 -4 -2 10 71.09 4.10 -4 -2 10 59.89 3.50 4 -2 -10 65.59 4.40 4 2 -10 66.29 4.60 -4 2 10 63.19 4.10 -4 2 10 65.49 3.20 4 2 -10 64.49 3.80 -4 2 10 60.49 3.40 -4 2 10 62.59 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2 11 215.58 8.60 0 2 -11 200.98 9.00 0 2 -11 208.38 10.10 1 -2 11 27.10 2.00 1 -2 11 21.00 1.40 -1 -2 -11 21.80 1.90 -1 2 -11 23.00 2.30 1 2 11 22.60 1.30 1 2 11 24.00 1.70 5 3 -11 160.18 6.90 -5 3 11 132.49 6.10 4 -3 -11 22.00 1.60 4 -3 -11 19.90 1.60 -4 -3 11 17.80 1.30 -4 -3 11 19.20 1.50 -4 -3 11 18.30 1.40 -4 3 11 16.60 1.40 -4 3 11 21.30 2.10 3 -3 -11 184.08 8.30 -3 -3 11 214.18 8.00 -3 -3 11 182.28 7.40 3 -3 -11 213.58 8.40 -3 -3 11 201.68 8.30 3 -3 -11 216.68 8.40 -3 3 11 200.28 7.60 -3 3 11 213.78 8.20 3 3 -11 202.68 9.00 -3 3 11 182.38 7.90 -2 -3 11 31.00 2.10 2 -3 -11 27.70 2.50 2 -3 -11 31.50 2.50 -2 -3 11 34.20 2.40 2 -3 -11 31.40 2.60 2 3 -11 31.30 2.70 -2 3 11 30.70 1.80 -2 3 11 30.30 2.10 2 3 -11 35.60 3.40 1 -3 -11 55.39 3.90 1 -3 -11 60.19 3.50 -1 -3 11 62.79 3.10 -1 -3 11 61.09 3.40 1 -3 -11 61.09 3.40 1 3 -11 55.29 3.70 -1 3 11 53.69 2.90 -1 3 11 59.59 2.90 1 3 -11 61.99 4.30 0 -3 -11 39.70 3.00 0 -3 11 37.70 2.10 0 -3 -11 38.10 2.10 0 3 11 36.00 2.00 0 3 11 37.70 2.00 0 3 -11 31.00 2.30 0 3 -11 35.50 3.20 -1 -3 -11 82.99 4.10 1 -3 11 75.09 3.20 1 3 11 82.99 3.20 -1 3 -11 71.89 3.60 -4 -4 11 63.69 3.40 4 -4 -11 76.09 3.30 -4 -4 11 63.29 2.90 4 4 -11 71.59 3.60 -4 4 11 72.69 3.40 -3 -4 11 49.30 2.60 3 -4 -11 63.39 3.20 -3 -4 11 55.59 2.70 3 -4 -11 62.09 3.80 -3 -4 11 59.79 3.60 -3 4 11 56.49 2.60 -3 4 11 55.99 3.00 3 4 -11 54.49 3.50 2 -4 -11 165.88 6.80 -2 -4 11 144.09 6.10 2 -4 -11 146.99 6.70 2 -4 -11 161.48 6.70 -2 4 11 154.18 6.00 2 4 -11 161.48 7.60 2 4 -11 137.39 6.80 -2 4 11 149.09 6.20 1 -4 -11 123.09 5.40 -1 -4 11 118.59 4.90 1 -4 -11 111.59 5.60 1 -4 -11 112.59 6.70 1 4 -11 97.29 5.10 -1 4 11 120.09 4.80 1 4 -11 119.99 6.40 0 -4 11 149.69 6.10 0 -4 -11 156.08 7.10 0 4 11 164.68 6.10 0 4 -11 170.48 7.70 -1 -4 -11 132.99 6.30 1 4 11 157.18 5.60 3 -5 -11 3.00 0.70 -3 -5 11 3.40 0.60 -3 5 11 3.20 0.90 3 5 -11 3.60 0.80 -3 5 11 4.00 0.60 -2 -5 11 53.29 2.60 2 -5 -11 60.39 3.10 -2 -5 11 50.89 2.80 2 -5 -11 61.99 3.20 -2 5 11 57.49 2.70 2 5 -11 64.89 4.60 -1 -5 11 31.70 1.70 1 -5 -11 34.40 2.10 1 -5 -11 28.10 2.10 1 5 -11 34.80 2.70 -1 5 11 32.20 1.70 1 5 -11 25.80 1.90 0 -5 11 22.10 1.30 0 5 11 26.20 1.30 0 5 -11 22.00 3.00 2 -6 -11 102.59 4.70 2 6 -11 97.99 4.40 -2 6 11 117.89 4.40 1 -6 -11 130.79 4.90 -1 6 11 119.69 4.70 3 0 -12 0.70 0.50 -3 0 12 0.60 0.30 -3 0 12 0.30 0.40 -2 0 12 43.60 2.20 -2 0 12 47.30 2.30 2 0 -12 45.20 2.80 1 0 -12 32.10 2.10 -1 0 12 30.00 1.60 -3 -1 12 0.20 0.30 -3 -1 12 0.30 0.30 -3 1 12 -0.20 0.30 3 1 -12 -0.20 0.40 -2 -1 12 49.10 2.50 -2 -1 12 51.79 2.50 2 -1 -12 50.39 2.90 2 1 -12 53.79 3.00 -2 1 12 48.90 2.40 -1 -1 12 11.20 1.00 1 -1 -12 12.80 1.20 1 1 -12 12.90 1.30 -3 -2 12 38.40 2.10 -3 -2 12 46.50 2.70 3 2 -12 42.70 2.40 -3 2 12 43.70 2.50 2 -2 -12 61.09 3.30 -2 -2 12 71.09 3.00 -2 -2 12 67.59 3.10 2 2 -12 69.19 3.40 1 -2 -12 105.59 4.70 -1 -2 12 110.39 4.20 -2 -3 12 35.70 2.20 0 0 0 0.00 0.00 _computing_structure_solution 'SHELXT 2014/5 (Sheldrick, 2014)' _computing_structure_solution 'SHELXT 2014/5 (Sheldrick, 2014)' ; _shelx_hkl_checksum 29357 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 -0.08388(19) 0.53693(11) 0.29866(12) 0.0267(3) Uani d . . . 1 . . C C1 0.2433(3) 0.34281(16) 0.84753(18) 0.0266(4) Uani d . . . 1 . . H H1A 0.092268 0.328755 0.818748 0.032 Uiso calc U . R 1 . . H H1B 0.310072 0.271452 0.901234 0.032 Uiso calc U . R 1 . . C C11 0.6187(3) 0.5148(2) 0.5640(2) 0.0340(4) Uani d . . . 1 . . H H11A 0.745649 0.552674 0.547563 0.041 Uiso calc U . R 1 . . H H11B 0.620536 0.427431 0.54225 0.041 Uiso calc U . R 1 . . C C15 0.5079(2) 0.45213(17) 1.03671(16) 0.0229(3) Uani d . . . 1 . . C C14 0.1425(3) 0.4767(2) 1.03697(19) 0.0329(4) Uani d . . . 1 . . H H14A -0.000237 0.475886 0.97946 0.049 Uiso calc U . R 1 . . H H14B 0.17165 0.554676 1.085681 0.049 Uiso calc U . R 1 . . H H14C 0.161134 0.411777 1.108124 0.049 Uiso calc U . R 1 . . C C2 0.2917(2) 0.45721(16) 0.93896(16) 0.0230(3) Uani d . . . 1 . . O O2 -0.1037(2) 0.33524(12) 0.30698(13) 0.0304(3) Uani d . . . 1 . . H H2 -0.205(4) 0.3472(4) 0.221(3) 0.046 Uiso calc U . R 1 . . O O3 0.6119(2) 0.36053(12) 1.06135(14) 0.0313(3) Uani d . . . 1 . . C C3 0.2737(2) 0.55696(15) 0.82551(16) 0.0221(3) Uani d . . . 1 . . H H3A 0.126956 0.578449 0.785932 0.026 Uiso calc U . R 1 . . H H3B 0.349125 0.630269 0.867902 0.026 Uiso calc U . R 1 . . C C13 -0.0272(2) 0.44048(17) 0.35764(16) 0.0225(3) Uani d . . . 1 . . C C12 0.4248(3) 0.5755(2) 0.47323(19) 0.0349(4) Uani d . . . 1 . . H H12A 0.389564 0.542138 0.375043 0.042 Uiso calc U . R 1 . . H H12B 0.444633 0.663873 0.468107 0.042 Uiso calc U . R 1 . . C C4 0.3693(2) 0.50556(15) 0.70764(17) 0.0212(3) Uani d . . . 1 . . O O4 0.5695(2) 0.55606(12) 1.09817(15) 0.0369(3) Uani d . . . 1 . . H H4 0.699(5) 0.5467(8) 1.160(4) 0.055 Uiso calc U . R 1 . . C C7 0.1791(3) 0.33809(16) 0.57658(17) 0.0251(3) Uani d . . . 1 . . H H7 0.122887 0.260069 0.551135 0.03 Uiso calc U . R 1 . . C C6 0.1318(2) 0.43543(16) 0.49345(16) 0.0231(3) Uani d . . . 1 . . C C5 0.2545(2) 0.54559(15) 0.55283(17) 0.0231(3) Uani d . . . 1 . . H H5 0.162597 0.616668 0.554894 0.028 Uiso calc U . R 1 . . C C8 0.3309(3) 0.36584(15) 0.71461(17) 0.0230(3) Uani d . . . 1 . . H H8 0.462417 0.319997 0.721963 0.028 Uiso calc U . R 1 . . C C10 0.6607(3) 0.66508(18) 0.7659(2) 0.0313(4) Uani d . . . 1 . . H H10A 0.799843 0.682125 0.753755 0.047 Uiso calc U . R 1 . . H H10B 0.658862 0.674481 0.866806 0.047 Uiso calc U . R 1 . . H H10C 0.562094 0.721566 0.707869 0.047 Uiso calc U . R 1 . . C C9 0.6002(2) 0.53559(17) 0.71814(18) 0.0259(3) Uani d . . . 1 . . H H9 0.69051 0.477135 0.783847 0.031 Uiso calc U . R 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 0.0275(6) 0.0283(6) 0.0200(5) -0.0009(5) -0.0031(4) 0.0010(5) C1 0.0291(8) 0.0272(9) 0.0198(7) -0.0057(7) -0.0015(6) 0.0020(7) C11 0.0281(8) 0.0466(11) 0.0288(9) -0.0069(8) 0.0097(7) -0.0083(8) C15 0.0249(7) 0.0253(8) 0.0163(7) -0.0013(6) 0.0008(5) 0.0017(6) C14 0.0280(8) 0.0489(12) 0.0213(8) -0.0012(8) 0.0050(6) 0.0034(7) C2 0.0225(7) 0.0275(9) 0.0164(7) -0.0009(7) -0.0004(6) 0.0011(6) O2 0.0324(6) 0.0274(7) 0.0241(6) -0.0005(5) -0.0079(5) -0.0022(5) O3 0.0310(6) 0.0285(7) 0.0276(6) 0.0029(5) -0.0064(5) -0.0025(5) C3 0.0213(7) 0.0253(8) 0.0173(7) 0.0028(6) 0.0001(5) 0.0003(6) C13 0.0214(7) 0.0276(8) 0.0177(7) -0.0003(6) 0.0032(6) -0.0026(6) C12 0.0355(9) 0.0483(11) 0.0196(8) -0.0112(9) 0.0035(7) 0.0003(7) C4 0.0197(7) 0.0240(8) 0.0171(7) 0.0014(6) -0.0011(5) -0.0004(6) O4 0.0379(7) 0.0261(7) 0.0341(7) 0.0008(6) -0.0163(6) -0.0028(5) C7 0.0271(8) 0.0254(8) 0.0199(7) 0.0006(7) -0.0006(6) -0.0028(7) C6 0.0222(7) 0.0276(8) 0.0180(7) 0.0013(7) 0.0017(6) -0.0027(6) C5 0.0233(7) 0.0264(9) 0.0165(7) -0.0001(6) -0.0011(6) -0.0001(6) C8 0.0240(7) 0.0217(8) 0.0197(8) 0.0014(6) -0.0022(6) -0.0005(6) C10 0.0259(8) 0.0355(10) 0.0310(9) -0.0067(7) 0.0039(7) -0.0039(8) C9 0.0206(7) 0.0314(9) 0.0237(7) -0.0004(6) 0.0015(6) -0.0031(7) 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 C2 C1 C8 . . 105.64(13) ? C2 C1 H1A . . 110.6 ? C8 C1 H1A . . 110.6 ? C2 C1 H1B . . 110.6 ? C8 C1 H1B . . 110.6 ? H1A C1 H1B . . 108.7 ? C12 C11 C9 . . 103.61(15) ? C12 C11 H11A . . 111.0 ? C9 C11 H11A . . 111.0 ? C12 C11 H11B . . 111.0 ? C9 C11 H11B . . 111.0 ? H11A C11 H11B . . 109.0 ? O3 C15 O4 . . 122.59(14) ? O3 C15 C2 . . 124.13(15) ? O4 C15 C2 . . 113.21(14) ? C2 C14 H14A . . 109.5 ? C2 C14 H14B . . 109.5 ? H14A C14 H14B . . 109.5 ? C2 C14 H14C . . 109.5 ? H14A C14 H14C . . 109.5 ? H14B C14 H14C . . 109.5 ? C15 C2 C1 . . 111.34(14) ? C15 C2 C3 . . 111.62(13) ? C1 C2 C3 . . 102.41(12) ? C15 C2 C14 . . 106.24(12) ? C1 C2 C14 . . 112.90(14) ? C3 C2 C14 . . 112.48(14) ? C13 O2 H2 . . 109.5 ? C4 C3 C2 . . 106.43(13) ? C4 C3 H3A . . 110.4 ? C2 C3 H3A . . 110.4 ? C4 C3 H3B . . 110.4 ? C2 C3 H3B . . 110.4 ? H3A C3 H3B . . 108.6 ? O1 C13 O2 . . 123.29(14) ? O1 C13 C6 . . 121.38(16) ? O2 C13 C6 . . 115.32(15) ? C11 C12 C5 . . 103.95(15) ? C11 C12 H12A . . 111.0 ? C5 C12 H12A . . 111.0 ? C11 C12 H12B . . 111.0 ? C5 C12 H12B . . 111.0 ? H12A C12 H12B . . 109.0 ? C3 C4 C9 . . 116.78(13) ? C3 C4 C5 . . 113.79(13) ? C9 C4 C5 . . 104.64(13) ? C3 C4 C8 . . 103.45(13) ? C9 C4 C8 . . 112.12(13) ? C5 C4 C8 . . 105.72(13) ? C15 O4 H4 . . 109.5 ? C6 C7 C8 . . 112.33(15) ? C6 C7 H7 . . 123.8 ? C8 C7 H7 . . 123.8 ? C7 C6 C13 . . 125.43(16) ? C7 C6 C5 . . 113.40(14) ? C13 C6 C5 . . 121.15(15) ? C6 C5 C12 . . 112.40(14) ? C6 C5 C4 . . 103.32(14) ? C12 C5 C4 . . 106.37(13) ? C6 C5 H5 . . 111.5 ? C12 C5 H5 . . 111.5 ? C4 C5 H5 . . 111.5 ? C7 C8 C1 . . 113.06(14) ? C7 C8 C4 . . 104.26(13) ? C1 C8 C4 . . 107.11(13) ? C7 C8 H8 . . 110.7 ? C1 C8 H8 . . 110.7 ? C4 C8 H8 . . 110.7 ? C9 C10 H10A . . 109.5 ? C9 C10 H10B . . 109.5 ? H10A C10 H10B . . 109.5 ? C9 C10 H10C . . 109.5 ? H10A C10 H10C . . 109.5 ? H10B C10 H10C . . 109.5 ? C10 C9 C11 . . 110.82(16) ? C10 C9 C4 . . 113.95(14) ? C11 C9 C4 . . 102.17(13) ? C10 C9 H9 . . 109.9 ? C11 C9 H9 . . 109.9 ? C4 C9 H9 . . 109.9 ? 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 C13 . 1.226(2) ? C1 C2 . 1.532(2) ? C1 C8 . 1.549(2) ? C1 H1A . 0.99 ? C1 H1B . 0.99 ? C11 C12 . 1.532(3) ? C11 C9 . 1.536(2) ? C11 H11A . 0.99 ? C11 H11B . 0.99 ? C15 O3 . 1.219(2) ? C15 O4 . 1.314(2) ? C15 C2 . 1.522(2) ? C14 C2 . 1.540(2) ? C14 H14A . 0.98 ? C14 H14B . 0.98 ? C14 H14C . 0.98 ? C2 C3 . 1.538(2) ? O2 C13 . 1.318(2) ? O2 H2 . 0.95(3) ? C3 C4 . 1.537(2) ? C3 H3A . 0.99 ? C3 H3B . 0.99 ? C13 C6 . 1.475(2) ? C12 C5 . 1.549(2) ? C12 H12A . 0.99 ? C12 H12B . 0.99 ? C4 C9 . 1.553(2) ? C4 C5 . 1.569(2) ? C4 C8 . 1.572(2) ? O4 H4 . 0.93(4) ? C7 C6 . 1.335(3) ? C7 C8 . 1.498(2) ? C7 H7 . 0.95 ? C6 C5 . 1.503(2) ? C5 H5 . 1.0 ? C8 H8 . 1.0 ? C10 C9 . 1.530(3) ? C10 H10A . 0.98 ? C10 H10B . 0.98 ? C10 H10C . 0.98 ? C9 H9 . 1.0 ? 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 O3 C15 C2 C1 . . . . -14.2(2) ? O4 C15 C2 C1 . . . . 168.73(14) ? O3 C15 C2 C3 . . . . -127.99(17) ? O4 C15 C2 C3 . . . . 54.96(18) ? O3 C15 C2 C14 . . . . 109.07(19) ? O4 C15 C2 C14 . . . . -67.98(19) ? C8 C1 C2 C15 . . . . -85.65(16) ? C8 C1 C2 C3 . . . . 33.76(16) ? C8 C1 C2 C14 . . . . 154.95(14) ? C15 C2 C3 C4 . . . . 79.77(16) ? C1 C2 C3 C4 . . . . -39.44(15) ? C14 C2 C3 C4 . . . . -160.92(13) ? C9 C11 C12 C5 . . . . -38.3(2) ? C2 C3 C4 C9 . . . . -94.76(17) ? C2 C3 C4 C5 . . . . 143.10(14) ? C2 C3 C4 C8 . . . . 28.90(16) ? C8 C7 C6 C13 . . . . -173.81(15) ? C8 C7 C6 C5 . . . . 4.7(2) ? O1 C13 C6 C7 . . . . 168.59(17) ? O2 C13 C6 C7 . . . . -10.5(2) ? O1 C13 C6 C5 . . . . -9.8(2) ? O2 C13 C6 C5 . . . . 171.03(14) ? C7 C6 C5 C12 . . . . 105.16(18) ? C13 C6 C5 C12 . . . . -76.24(19) ? C7 C6 C5 C4 . . . . -9.11(19) ? C13 C6 C5 C4 . . . . 169.50(14) ? C11 C12 C5 C6 . . . . -94.96(17) ? C11 C12 C5 C4 . . . . 17.4(2) ? C3 C4 C5 C6 . . . . -103.31(15) ? C9 C4 C5 C6 . . . . 128.08(14) ? C8 C4 C5 C6 . . . . 9.54(16) ? C3 C4 C5 C12 . . . . 138.15(15) ? C9 C4 C5 C12 . . . . 9.53(18) ? C8 C4 C5 C12 . . . . -109.01(16) ? C6 C7 C8 C1 . . . . 117.88(17) ? C6 C7 C8 C4 . . . . 1.89(19) ? C2 C1 C8 C7 . . . . -130.83(15) ? C2 C1 C8 C4 . . . . -16.55(18) ? C3 C4 C8 C7 . . . . 112.65(14) ? C9 C4 C8 C7 . . . . -120.67(14) ? C5 C4 C8 C7 . . . . -7.23(17) ? C3 C4 C8 C1 . . . . -7.42(17) ? C9 C4 C8 C1 . . . . 119.25(14) ? C5 C4 C8 C1 . . . . -127.30(14) ? C12 C11 C9 C10 . . . . -77.47(18) ? C12 C11 C9 C4 . . . . 44.29(19) ? C3 C4 C9 C10 . . . . -39.9(2) ? C5 C4 C9 C10 . . . . 86.93(16) ? C8 C4 C9 C10 . . . . -158.96(15) ? C3 C4 C9 C11 . . . . -159.44(16) ? C5 C4 C9 C11 . . . . -32.65(18) ? C8 C4 C9 C11 . . . . 81.46(18) ?