#------------------------------------------------------------------------------ #$Date: 2018-01-14 02:14:01 +0200 (Sun, 14 Jan 2018) $ #$Revision: 205196 $ #$URL: file:///home/coder/svn-repositories/cod/cif/4/03/33/4033351.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_4033351 loop_ _publ_author_name 'Han, Teng' 'Wang, Yu' 'Li, Hong-Liang' 'Luo, Xiaoyan' 'Deng, Wei-Ping' _publ_section_title ; Synthesis of Polysubstituted 3-Aminothiophenes from Thioamides and Allenes via Tandem Thio-Michael Addition/Oxidative Annulation and 1,2-Sulfur Migration. ; _journal_name_full 'The Journal of organic chemistry' _journal_paper_doi 10.1021/acs.joc.7b02616 _journal_year 2018 _chemical_formula_sum 'C15 H19 N O7 S' _chemical_formula_weight 357.37 _chemical_name_systematic ; ? ; _space_group_crystal_system monoclinic _space_group_IT_number 14 _space_group_name_Hall '-P 2yn' _space_group_name_H-M_alt 'P 1 21/n 1' _symmetry_space_group_name_Hall '-P 2yn' _symmetry_space_group_name_H-M 'P 1 21/n 1' _atom_sites_solution_hydrogens geom _audit_creation_method SHELXL-2013 _cell_angle_alpha 90 _cell_angle_beta 97.770(2) _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 6.1668(3) _cell_length_b 20.6407(10) _cell_length_c 13.3138(7) _cell_measurement_reflns_used 6128 _cell_measurement_temperature 296(2) _cell_measurement_theta_max 52.862 _cell_measurement_theta_min 5.011 _cell_volume 1679.12(15) _computing_cell_refinement 'Bruker SAINT' _computing_data_collection 'Bruker APEX2' _computing_data_reduction 'Bruker SAINT' _computing_molecular_graphics 'Bruker SHELXTL' _computing_publication_material 'Bruker SHELXTL' _computing_structure_refinement 'SHELXL-2013 (Sheldrick, 2013)' _computing_structure_solution 'SHELXS-97 (Sheldrick 2008)' _diffrn_ambient_temperature 296(2) _diffrn_measured_fraction_theta_full 0.999 _diffrn_measured_fraction_theta_max 0.999 _diffrn_measurement_device_type 'Bruker APEX-II CCD' _diffrn_measurement_method '\f and \w scans' _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0498 _diffrn_reflns_av_unetI/netI 0.0330 _diffrn_reflns_Laue_measured_fraction_full 0.999 _diffrn_reflns_Laue_measured_fraction_max 0.999 _diffrn_reflns_limit_h_max 7 _diffrn_reflns_limit_h_min -7 _diffrn_reflns_limit_k_max 25 _diffrn_reflns_limit_k_min -25 _diffrn_reflns_limit_l_max 16 _diffrn_reflns_limit_l_min -16 _diffrn_reflns_number 22754 _diffrn_reflns_point_group_measured_fraction_full 0.999 _diffrn_reflns_point_group_measured_fraction_max 0.999 _diffrn_reflns_theta_full 25.242 _diffrn_reflns_theta_max 25.500 _diffrn_reflns_theta_min 2.506 _exptl_absorpt_coefficient_mu 0.230 _exptl_absorpt_correction_T_max 0.7456 _exptl_absorpt_correction_T_min 0.7008 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details sadabs _exptl_crystal_colour colorless _exptl_crystal_density_diffrn 1.414 _exptl_crystal_description prismatic _exptl_crystal_F_000 752 _exptl_crystal_size_max 0.200 _exptl_crystal_size_mid 0.100 _exptl_crystal_size_min 0.040 _refine_diff_density_max 0.412 _refine_diff_density_min -0.277 _refine_diff_density_rms 0.051 _refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^ _refine_ls_extinction_method SHELXL _refine_ls_goodness_of_fit_ref 1.067 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 221 _refine_ls_number_reflns 3129 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 1.067 _refine_ls_R_factor_all 0.0704 _refine_ls_R_factor_gt 0.0516 _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^)+(0.0638P)^2^+0.9660P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.1262 _refine_ls_wR_factor_ref 0.1398 _reflns_Friedel_coverage 0.000 _reflns_number_gt 2450 _reflns_number_total 3129 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file jo7b02616_si_002.cif _cod_data_source_block mo_d8v17342_0m _cod_database_code 4033351 _shelx_space_group_comment ; The symmetry employed for this shelxl refinement is uniquely defined by the following loop, which should always be used as a source of symmetry information in preference to the above space-group names. They are only intended as comments. ; _shelx_estimated_absorpt_t_min 0.956 _shelx_estimated_absorpt_t_max 0.991 _shelxl_version_number 2013-4 _shelx_res_file ; TITL mo_d8v17342_0m_a.res in P2(1)/n CELL 0.71073 6.1668 20.6407 13.3138 90.000 97.770 90.000 ZERR 4.00 0.0003 0.0010 0.0007 0.000 0.002 0.000 LATT 1 SYMM -x+1/2, y+1/2, -z+1/2 SFAC C H N O S UNIT 60 76 4 28 4 OMIT 0 2 0 OMIT 0 1 1 OMIT -3 0 3 OMIT -3.00 51.00 L.S. 10 ACTA BOND $H FMAP 2 PLAN 10 HTAB C15 O1_$3 HTAB C11 O2_$1 HTAB C8 O6 HTAB C8 O2_$2 HTAB C5 O2 HTAB C15 O1_$3 HTAB C11 O2_$1 HTAB C8 O6 HTAB C8 O2_$2 HTAB C5 O2 HTAB C11 O5 HTAB C10 O4_$3 EQIV $3 -x, -y+1, -z+2 HTAB C7 O3 HTAB C7 O5_$2 EQIV $2 x-1, y, z HTAB C3 O5_$1 EQIV $1 x-1/2, -y+1/2, z-1/2 CONF size 0.20 0.10 0.04 HTAB HTAB C5 O2 HTAB C8 O2_$2 HTAB C8 O6 HTAB C11 O2_$1 HTAB C15 O1_$3 HTAB C5 O2 HTAB C8 O2_$2 HTAB C8 O6 HTAB C11 O2_$1 HTAB C15 O1_$3 TEMP 23 WGHT 0.063800 0.966000 EXTI 0.003166 FVAR 0.55694 S1 5 0.347559 0.268039 0.683121 11.00000 0.04315 0.04555 = 0.03477 -0.00768 0.00008 0.00526 N1 3 0.349506 0.370322 0.931447 11.00000 0.03312 0.04961 = 0.03218 -0.01034 0.00310 -0.00276 O1 4 0.432444 0.422154 1.128300 11.00000 0.05593 0.05712 = 0.03738 -0.01044 0.00214 0.00187 O2 4 0.727817 0.279575 0.941055 11.00000 0.04996 0.04980 = 0.04035 -0.00423 -0.00591 0.00741 O3 4 0.724165 0.220573 0.799803 11.00000 0.05043 0.06680 = 0.04696 -0.01371 -0.00449 0.02441 O4 4 0.131963 0.413998 0.531395 11.00000 0.08640 0.07584 = 0.07278 0.02262 -0.03125 -0.03758 O5 4 -0.146629 0.372375 0.430742 11.00000 0.07693 0.07126 = 0.05111 0.02086 -0.02708 -0.02880 O6 4 0.042581 0.464698 0.795925 11.00000 0.05847 0.03647 = 0.06030 -0.00621 -0.00784 0.00179 O7 4 -0.219277 0.401269 0.715480 11.00000 0.03431 0.04776 = 0.05967 -0.00513 -0.00321 0.00442 C1 1 0.447236 0.295996 0.802332 11.00000 0.03330 0.04063 = 0.03168 -0.00109 0.00112 -0.00083 C2 1 0.311976 0.342579 0.835873 11.00000 0.03331 0.03428 = 0.02845 -0.00087 0.00260 -0.00361 C3 1 0.125871 0.354869 0.761022 11.00000 0.03337 0.03455 = 0.03049 -0.00061 0.00234 0.00038 C4 1 0.120730 0.316332 0.676582 11.00000 0.03761 0.03690 = 0.03530 -0.00040 0.00255 -0.00080 C5 1 0.543336 0.409584 0.961592 11.00000 0.03919 0.03370 = 0.04180 -0.00392 0.00290 -0.00208 AFIX 23 H5A 2 0.513251 0.454319 0.942174 11.00000 -1.20000 H5B 2 0.662558 0.394384 0.927117 11.00000 -1.20000 AFIX 0 C6 1 0.608492 0.405431 1.074133 11.00000 0.04278 0.05054 = 0.04273 -0.00743 -0.00340 -0.00063 AFIX 23 H6A 2 0.656472 0.361671 1.091991 11.00000 -1.20000 H6B 2 0.730608 0.434415 1.093949 11.00000 -1.20000 AFIX 0 C7 1 0.247040 0.382621 1.098082 11.00000 0.05383 0.06977 = 0.03716 -0.00673 0.01207 -0.00366 AFIX 23 H7A 2 0.129863 0.394869 1.136083 11.00000 -1.20000 H7B 2 0.284180 0.337735 1.113644 11.00000 -1.20000 AFIX 0 C8 1 0.168742 0.389176 0.985863 11.00000 0.03692 0.06825 = 0.04176 -0.01147 0.00827 0.00107 AFIX 23 H8A 2 0.043332 0.361323 0.966572 11.00000 -1.20000 H8B 2 0.125771 0.433571 0.969674 11.00000 -1.20000 AFIX 0 C9 1 0.643972 0.266558 0.856612 11.00000 0.03716 0.03780 = 0.03697 -0.00010 0.00430 0.00207 C10 1 0.921029 0.188771 0.846393 11.00000 0.05390 0.06826 = 0.06014 -0.00293 -0.00131 0.02719 AFIX 137 H10A 2 1.033553 0.220490 0.864126 11.00000 -1.50000 H10B 2 0.968669 0.158202 0.799625 11.00000 -1.50000 H10C 2 0.891720 0.166481 0.906398 11.00000 -1.50000 AFIX 0 C11 1 -0.036316 0.315984 0.580561 11.00000 0.03893 0.04179 = 0.03593 -0.00650 -0.00035 -0.00276 AFIX 23 H11A 2 -0.184763 0.316338 0.597081 11.00000 -1.20000 H11B 2 -0.016868 0.276397 0.543546 11.00000 -1.20000 AFIX 0 C12 1 -0.004809 0.373422 0.513842 11.00000 0.04215 0.04785 = 0.03904 -0.00191 -0.00497 -0.00529 C13 1 -0.130325 0.424308 0.358364 11.00000 0.10278 0.08444 = 0.06665 0.03657 -0.02760 -0.03129 AFIX 137 H13A 2 -0.142234 0.465350 0.391096 11.00000 -1.50000 H13B 2 -0.246265 0.420161 0.302868 11.00000 -1.50000 H13C 2 0.008288 0.421703 0.333339 11.00000 -1.50000 AFIX 0 C14 1 -0.017881 0.412786 0.761610 11.00000 0.03623 0.04307 = 0.03280 0.00275 0.00402 0.00052 C15 1 -0.365056 0.456287 0.697011 11.00000 0.04344 0.06193 = 0.06919 0.00311 -0.00338 0.01620 AFIX 137 H15A 2 -0.370211 0.479290 0.759313 11.00000 -1.50000 H15B 2 -0.509199 0.441392 0.670961 11.00000 -1.50000 H15C 2 -0.312365 0.484640 0.648520 11.00000 -1.50000 AFIX 0 HKLF 4 1 1 0 0 0 1 0 0 0 1 REM mo_d8v17342_0m_a.res in P2(1)/n REM R1 = 0.0516 for 2450 Fo > 4sig(Fo) and 0.0704 for all 3129 data REM 221 parameters refined using 0 restraints END WGHT 0.0607 1.0065 REM Instructions for potential hydrogen bonds HTAB C5 O2 HTAB C8 O2_$2 HTAB C8 O6 HTAB C11 O2_$1 HTAB C15 O1_$3 REM Highest difference peak 0.412, deepest hole -0.277, 1-sigma level 0.051 Q1 1 0.1722 0.2693 0.6852 11.00000 0.05 0.41 Q2 1 -0.0756 0.2690 0.6834 11.00000 0.05 0.33 Q3 1 -0.2357 0.2630 0.6860 11.00000 0.05 0.27 Q4 1 0.5443 0.2684 0.6794 11.00000 0.05 0.27 Q5 1 -0.0055 0.4225 0.5389 11.00000 0.05 0.25 Q6 1 -0.3394 0.2694 0.6803 11.00000 0.05 0.22 Q7 1 0.4573 0.3342 0.8023 11.00000 0.05 0.22 Q8 1 0.2051 0.4198 1.1219 11.00000 0.05 0.22 Q9 1 -0.5397 0.4639 0.7975 11.00000 0.05 0.22 Q10 1 -0.2143 0.3841 0.4929 11.00000 0.05 0.22 ; _shelx_res_checksum 13163 _shelx_hkl_file ; 1 0 0 0.10 0.30 1 0 0 -0.30 0.40 1 0 0 0.00 0.40 1 0 0 0.40 0.70 1 0 0 -0.30 0.50 -1 0 0 -0.70 0.70 -1 0 0 0.30 0.50 -1 0 0 0.00 0.40 -1 0 0 0.80 0.70 -2 0 0 83.09 7.00 2 0 0 83.29 7.10 2 0 0 89.69 6.90 2 0 0 78.59 7.20 2 0 0 86.59 8.00 2 0 0 82.79 7.60 -2 0 0 85.29 8.10 -2 0 0 83.09 7.90 -3 0 0 -2.00 1.10 3 0 0 1.70 1.00 -3 0 0 0.70 1.60 3 0 0 1.50 1.60 3 0 0 -0.70 1.60 -3 0 0 0.00 1.70 3 0 0 2.60 1.80 3 0 0 1.80 1.50 4 0 0 214.78 16.30 -4 0 0 161.68 19.90 4 0 0 184.48 16.40 4 0 0 181.28 15.90 4 0 0 210.78 15.60 -4 0 0 200.98 17.70 4 0 0 205.28 14.80 4 0 0 179.48 16.80 5 0 0 8.30 4.30 5 0 0 3.30 3.40 5 0 0 4.80 3.20 -5 0 0 7.60 4.80 -5 0 0 11.50 5.30 6 0 0 76.29 13.00 6 0 0 71.89 14.00 -6 0 0 103.69 18.40 6 0 0 78.39 10.60 7 0 0 2.20 3.10 7 0 0 5.30 5.00 -7 0 0 8.30 6.60 7 0 0 0.30 4.20 1 -1 0 317.87 12.50 1 -1 0 324.97 11.10 1 -1 0 324.37 10.50 1 -1 0 306.37 11.10 -1 -1 0 300.57 10.80 1 -1 0 305.27 9.30 1 -1 0 305.47 9.80 -1 -1 0 305.87 10.80 -1 -1 0 325.27 12.70 -1 -1 0 298.97 11.30 -1 1 0 312.77 10.50 1 1 0 304.87 10.50 1 1 0 314.97 12.50 -1 1 0 279.47 12.00 -1 1 0 299.87 10.90 -1 1 0 307.57 9.80 1 1 0 300.17 10.80 2 -1 0 306.27 12.90 2 -1 0 301.67 13.50 2 -1 0 295.37 13.90 2 -1 0 305.47 15.40 2 -1 0 293.47 15.60 -2 -1 0 304.17 16.40 -2 -1 0 284.57 14.40 -2 -1 0 298.57 15.00 2 -1 0 307.97 14.20 -2 1 0 273.77 15.40 2 1 0 302.27 13.90 -2 1 0 287.67 14.80 2 1 0 304.87 15.40 -2 1 0 305.37 13.50 2 1 0 314.87 16.40 2 1 0 290.47 14.10 2 1 0 317.97 15.00 3 -1 0 3.00 1.60 3 -1 0 -2.40 1.50 3 -1 0 1.70 2.00 3 -1 0 3.20 2.30 -3 -1 0 -0.60 1.00 -3 -1 0 0.20 1.30 3 -1 0 0.30 0.70 3 -1 0 0.00 0.90 -3 -1 0 0.90 1.40 3 1 0 1.40 1.90 3 1 0 -0.30 0.90 3 1 0 1.40 1.70 -3 1 0 -0.10 1.20 3 1 0 0.80 0.80 3 1 0 4.10 2.00 -3 1 0 -0.40 1.40 -3 1 0 -0.60 1.70 4 -1 0 5.20 2.70 4 -1 0 2.10 2.30 4 -1 0 4.10 3.80 -4 -1 0 1.70 2.40 -4 -1 0 4.80 4.00 4 -1 0 1.40 3.30 4 -1 0 5.80 2.50 4 -1 0 3.90 3.60 4 1 0 -1.20 2.90 -4 1 0 3.70 5.50 4 1 0 3.50 2.40 -4 1 0 3.80 2.70 4 1 0 -2.20 2.20 4 1 0 2.30 2.60 4 1 0 -0.30 2.10 5 -1 0 89.69 11.90 5 -1 0 83.49 11.10 -5 -1 0 85.49 12.60 5 -1 0 99.99 11.10 -5 -1 0 79.09 14.50 5 1 0 94.99 11.50 -5 1 0 70.39 14.20 5 1 0 87.89 12.20 5 1 0 100.09 11.80 6 -1 0 15.10 6.70 -6 -1 0 17.80 6.80 6 -1 0 6.90 4.60 6 -1 0 17.70 5.00 6 1 0 5.20 4.10 -6 1 0 10.30 6.10 6 1 0 21.70 7.20 6 1 0 7.30 5.10 7 -1 0 12.50 4.20 -7 -1 0 5.60 6.10 7 -1 0 9.30 4.70 7 1 0 11.20 5.00 -7 1 0 1.80 6.00 7 1 0 -1.20 4.20 7 1 0 -2.10 3.20 0 -2 0 0.70 0.30 0 2 0 0.30 0.30 0 2 0 0.20 0.30 0 2 0 -0.20 0.20 -1 -2 0 763.82 18.70 -1 -2 0 774.22 22.90 -1 -2 0 774.72 20.60 1 -2 0 768.52 23.10 -1 -2 0 754.52 21.30 1 -2 0 800.62 17.00 1 -2 0 781.52 17.90 1 -2 0 759.12 20.30 1 -2 0 776.52 16.50 1 2 0 755.62 20.40 1 2 0 749.03 21.30 1 2 0 803.02 18.30 -1 2 0 811.02 18.60 -1 2 0 751.12 22.90 1 2 0 762.32 22.60 -1 2 0 802.32 17.10 -2 -2 0 951.50 29.00 -2 -2 0 980.70 29.30 2 -2 0 975.50 27.30 2 -2 0 969.70 26.30 2 -2 0 961.90 28.70 -2 -2 0 991.70 30.60 -2 -2 0 999.10 33.10 2 -2 0 1006.20 25.60 2 -2 0 987.90 32.70 2 -2 0 996.20 30.00 2 2 0 963.90 28.80 2 2 0 969.80 27.60 -2 2 0 982.40 26.40 2 2 0 983.70 30.50 2 2 0 996.80 32.90 -2 2 0 983.40 28.20 -2 2 0 1017.90 33.50 3 -2 0 149.19 12.70 -3 -2 0 160.28 13.10 3 -2 0 164.18 14.00 3 -2 0 161.88 12.10 3 -2 0 154.68 11.10 3 -2 0 168.88 12.00 -3 -2 0 148.29 13.90 -3 -2 0 138.39 11.90 3 -2 0 152.38 10.40 -3 2 0 166.98 11.40 3 2 0 142.79 12.10 3 2 0 144.69 13.40 3 2 0 154.28 13.10 -3 2 0 149.69 14.00 3 2 0 163.28 12.10 3 2 0 166.68 12.20 4 -2 0 39.40 7.70 4 -2 0 33.90 8.30 -4 -2 0 31.00 7.80 4 -2 0 41.70 9.60 -4 -2 0 37.50 10.10 4 -2 0 31.80 7.20 4 -2 0 30.60 6.30 4 -2 0 36.90 8.40 4 2 0 34.00 7.00 4 2 0 34.50 7.90 4 2 0 34.10 8.60 -4 2 0 44.90 10.30 4 2 0 26.00 6.20 4 2 0 21.20 8.40 5 -2 0 62.59 11.90 -5 -2 0 76.09 14.20 -5 -2 0 67.79 14.60 5 -2 0 69.99 9.40 5 -2 0 65.59 9.80 -5 2 0 60.69 13.20 5 2 0 62.29 10.70 5 2 0 58.99 11.10 5 2 0 57.59 12.40 -6 -2 0 14.40 7.00 6 -2 0 1.50 3.80 -6 -2 0 25.50 8.50 6 -2 0 12.70 6.40 6 -2 0 11.30 4.80 6 2 0 7.80 4.60 6 2 0 10.20 4.80 -6 2 0 2.60 4.80 6 2 0 20.10 6.00 -7 -2 0 -6.10 4.40 7 -2 0 6.80 4.80 7 -2 0 5.80 3.70 7 -2 0 1.10 3.90 7 2 0 -4.80 3.30 7 2 0 5.40 4.90 7 2 0 -1.40 3.50 -7 2 0 2.30 6.00 0 -3 0 0.40 0.60 0 -3 0 0.30 0.50 0 -3 0 -0.20 0.30 0 3 0 0.50 0.80 0 3 0 0.10 0.30 0 3 0 0.20 0.30 0 3 0 -0.50 0.40 1 -3 0 0.20 0.50 1 -3 0 3.00 1.70 -1 -3 0 1.20 1.00 1 -3 0 1.10 0.50 -1 -3 0 -0.10 0.60 1 -3 0 0.10 0.70 -1 -3 0 1.40 0.70 -1 3 0 0.90 1.20 -1 3 0 -0.10 0.50 1 3 0 -0.70 0.60 -1 3 0 -0.30 0.50 1 3 0 1.20 0.70 -1 3 0 0.80 0.60 1 3 0 0.40 0.80 2 -3 0 431.16 18.10 -2 -3 0 438.66 21.20 -2 -3 0 418.16 18.20 2 -3 0 446.66 15.90 2 -3 0 431.66 17.80 2 -3 0 428.26 15.00 -2 -3 0 415.56 18.90 2 -3 0 437.76 21.00 -2 -3 0 414.36 17.10 2 -3 0 450.05 14.50 -2 3 0 440.36 16.80 2 3 0 426.06 19.20 -2 3 0 433.56 21.20 -2 3 0 420.56 14.80 2 3 0 420.36 20.50 2 3 0 434.66 16.20 2 3 0 423.26 18.10 3 -3 0 -0.40 2.00 -3 -3 0 1.50 1.70 -3 -3 0 -0.80 1.50 3 -3 0 -0.30 1.30 3 -3 0 1.80 1.60 3 -3 0 2.30 1.50 3 -3 0 1.20 1.60 3 -3 0 -1.00 1.60 -3 -3 0 2.30 1.50 -3 3 0 0.40 2.10 3 3 0 0.20 1.40 3 3 0 2.30 1.80 3 3 0 0.80 1.40 -3 3 0 0.60 1.10 3 3 0 -2.40 1.70 4 -3 0 43.30 7.50 4 -3 0 32.80 7.00 -4 -3 0 54.39 12.20 4 -3 0 59.09 8.00 4 -3 0 55.19 10.60 -4 -3 0 48.00 9.80 4 -3 0 61.29 8.00 4 -3 0 44.10 13.60 4 3 0 37.60 8.50 4 3 0 48.20 9.30 -4 3 0 41.70 10.10 -5 -3 0 1.40 2.70 -5 -3 0 2.50 2.90 5 -3 0 2.10 3.00 5 -3 0 4.40 3.00 5 -3 0 -1.90 1.40 5 -3 0 2.40 3.40 -5 3 0 6.40 3.90 5 3 0 -5.00 2.20 6 -3 0 35.10 9.10 6 -3 0 48.80 8.90 -6 -3 0 30.20 9.70 6 -3 0 51.89 11.30 -6 3 0 45.90 14.10 6 3 0 36.90 14.50 6 3 0 37.40 9.30 6 3 0 25.90 7.00 7 -3 0 9.70 4.40 7 -3 0 3.70 4.60 7 -3 0 -0.80 3.50 -7 -3 0 -8.00 4.50 7 3 0 5.00 4.60 7 3 0 15.10 6.20 7 3 0 8.70 5.40 0 -4 0 3279.17 56.69 0 -4 0 3284.07 59.09 0 -4 0 3137.99 57.39 0 4 0 3317.77 57.69 0 4 0 3250.27 57.99 0 4 0 3186.98 56.09 0 4 0 3191.48 58.09 1 -4 0 1523.95 40.10 -1 -4 0 1538.15 35.80 -1 -4 0 1515.85 30.90 1 -4 0 1555.64 29.50 1 -4 0 1558.84 35.80 -1 -4 0 1515.25 39.10 -1 -4 0 1518.25 36.80 1 4 0 1546.65 30.00 1 4 0 1517.35 38.20 -1 4 0 1569.34 30.40 -1 4 0 1551.64 36.10 1 4 0 1567.04 35.90 1 4 0 1546.95 37.30 -2 -4 0 21.80 4.20 2 -4 0 19.50 2.80 2 -4 0 15.90 2.90 -2 -4 0 17.70 4.30 2 -4 0 26.20 5.50 2 -4 0 18.10 4.90 2 -4 0 16.90 3.80 2 -4 0 16.30 3.40 -2 -4 0 23.70 5.30 -2 -4 0 27.60 6.50 -2 4 0 20.80 2.90 -2 4 0 17.30 4.10 2 4 0 28.30 5.70 2 4 0 22.20 5.60 2 4 0 15.40 4.50 2 4 0 23.40 3.30 -2 4 0 16.90 5.00 -2 4 0 26.80 4.70 3 -4 0 15.80 3.80 3 -4 0 21.70 7.40 -3 -4 0 17.60 4.90 3 -4 0 15.10 3.50 -3 -4 0 12.50 4.50 3 -4 0 23.90 6.00 3 -4 0 14.10 4.50 -3 -4 0 27.30 7.60 3 -4 0 18.60 4.40 3 4 0 20.90 5.90 -3 4 0 16.00 4.30 3 4 0 25.00 6.80 -3 4 0 22.30 4.70 3 4 0 22.50 4.90 3 4 0 27.60 7.70 -3 4 0 22.40 6.30 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149.49 12.90 2 -5 0 141.79 6.50 -2 -5 0 134.99 8.90 -2 -5 0 145.39 11.40 2 -5 0 142.29 7.70 -2 -5 0 151.68 12.80 2 -5 0 146.39 6.70 2 -5 0 133.49 10.30 -2 -5 0 142.79 10.70 2 5 0 140.69 11.90 2 5 0 137.29 11.30 -2 5 0 135.29 8.60 -2 5 0 138.29 6.70 2 5 0 150.18 10.80 -2 5 0 151.78 11.00 2 5 0 138.19 7.90 3 -5 0 505.15 28.00 -3 -5 0 501.85 28.10 3 -5 0 479.05 22.80 3 -5 0 513.15 19.80 3 -5 0 510.35 24.20 -3 -5 0 498.65 22.90 3 -5 0 490.95 17.40 3 -5 0 495.75 18.30 3 5 0 504.05 24.00 -3 5 0 490.15 21.60 3 5 0 474.35 26.40 3 5 0 460.85 24.50 3 5 0 464.05 19.30 -3 5 0 514.35 28.70 4 -5 0 3.00 2.10 4 -5 0 0.00 1.40 4 -5 0 0.20 2.40 -4 -5 0 0.10 2.00 4 -5 0 -0.70 1.50 4 -5 0 -1.50 1.30 -4 -5 0 -2.50 1.70 -4 5 0 2.40 2.70 4 5 0 -3.10 1.70 4 5 0 1.60 2.40 4 5 0 0.10 1.60 -5 -5 0 63.59 12.10 5 -5 0 104.69 12.80 5 -5 0 87.09 9.30 -5 -5 0 106.09 14.60 5 -5 0 91.49 10.70 5 -5 0 83.29 10.40 5 5 0 108.29 12.70 5 5 0 55.89 11.80 -5 5 0 78.59 16.20 6 -5 0 16.70 6.90 -6 -5 0 33.70 9.60 6 -5 0 26.60 7.00 6 -5 0 24.00 6.20 -6 -5 0 24.30 7.90 6 5 0 17.70 6.30 6 5 0 30.10 7.30 6 5 0 28.40 9.60 7 -5 0 11.80 5.30 -7 -5 0 10.20 7.50 7 -5 0 10.90 6.30 7 5 0 2.30 5.50 7 5 0 16.70 5.70 7 5 0 15.60 8.60 0 -6 0 5790.32 104.39 0 -6 0 5782.62 101.89 0 -6 0 6031.20 100.99 0 6 0 5935.51 102.09 0 6 0 5947.90 102.99 0 6 0 5910.51 102.99 0 6 0 5569.64 99.59 -1 -6 0 1.60 1.60 -1 -6 0 3.40 1.20 -1 -6 0 2.10 1.40 1 -6 0 5.90 2.40 1 -6 0 1.90 1.80 1 -6 0 3.80 1.50 -1 6 0 3.60 1.70 1 6 0 1.50 1.70 -1 6 0 4.80 1.50 1 6 0 3.90 1.60 1 6 0 3.30 1.40 1 6 0 3.60 2.00 2 -6 0 158.08 14.10 2 -6 0 140.59 7.50 -2 -6 0 147.29 9.30 -2 -6 0 166.58 12.60 -2 -6 0 128.89 12.40 2 -6 0 133.69 10.70 -2 -6 0 129.79 10.50 2 6 0 153.98 8.10 -2 6 0 146.19 8.70 2 6 0 152.88 12.90 2 6 0 152.28 12.20 2 6 0 150.08 11.30 -2 6 0 140.79 11.00 -3 -6 0 249.78 21.90 3 -6 0 269.07 17.40 3 -6 0 228.28 10.70 3 -6 0 241.98 11.30 3 -6 0 239.78 12.60 -3 -6 0 260.87 15.70 3 -6 0 251.07 15.70 3 -6 0 268.67 20.30 3 6 0 223.08 17.60 -3 6 0 244.08 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8.50 -2 -7 0 90.29 10.50 -2 7 0 99.39 7.00 -2 7 0 92.29 9.30 2 7 0 99.69 10.50 2 7 0 80.59 8.40 2 7 0 96.89 6.20 2 7 0 69.39 8.50 3 -7 0 5.40 3.40 -3 -7 0 1.30 2.00 3 -7 0 3.10 1.70 3 -7 0 2.70 2.20 -3 -7 0 3.40 3.10 3 -7 0 4.70 1.30 3 -7 0 0.70 2.10 3 7 0 -1.10 1.70 3 7 0 0.00 2.10 3 7 0 5.50 3.30 3 7 0 6.00 2.20 -3 7 0 1.10 2.20 -4 -7 0 35.60 8.30 -4 -7 0 44.60 11.80 4 -7 0 42.10 6.00 4 -7 0 43.10 9.00 4 -7 0 41.60 5.00 4 -7 0 44.10 6.50 4 7 0 40.10 8.90 -4 7 0 43.90 13.30 4 7 0 48.60 6.40 -5 -7 0 47.70 12.60 5 -7 0 67.59 7.80 5 -7 0 38.80 7.20 -5 -7 0 45.00 10.00 5 -7 0 48.80 10.40 5 -7 0 64.99 8.50 5 7 0 67.99 15.00 5 7 0 54.29 10.80 6 -7 0 22.60 7.70 6 -7 0 14.70 5.00 -6 -7 0 6.50 7.90 6 -7 0 15.60 6.30 -6 -7 0 21.30 7.10 6 7 0 0.50 5.40 -7 -7 0 1.50 6.50 7 -7 0 12.30 5.60 7 -7 0 3.40 4.30 7 -7 0 9.80 4.30 -7 -7 0 7.90 7.30 7 7 0 8.70 5.70 7 7 0 7.90 5.90 7 7 0 1.70 4.20 0 -8 0 74.29 5.60 0 -8 0 72.49 6.10 0 -8 0 67.29 6.60 0 8 0 63.09 5.60 0 8 0 76.39 6.40 0 8 0 77.99 6.70 0 8 0 80.69 5.50 -1 -8 0 24.50 3.00 1 -8 0 21.50 4.80 -1 -8 0 15.20 3.70 1 -8 0 23.30 4.20 -1 -8 0 25.60 6.00 1 8 0 21.80 5.00 1 8 0 18.50 3.50 -1 8 0 23.10 2.80 1 8 0 18.70 4.80 1 8 0 21.50 4.20 -1 8 0 24.80 5.10 -2 -8 0 1111.49 30.30 -2 -8 0 1108.49 41.80 2 -8 0 1089.39 50.49 -2 -8 0 1071.19 36.30 2 -8 0 1110.89 26.50 2 -8 0 1125.89 36.50 2 8 0 1079.49 26.80 2 8 0 1143.99 36.40 2 8 0 1066.39 37.90 -2 8 0 1116.49 28.90 -2 8 0 1059.79 43.40 2 8 0 1084.19 39.20 -3 -8 0 13.00 4.20 3 -8 0 6.30 2.90 3 -8 0 6.50 2.40 -3 -8 0 7.40 4.80 3 -8 0 5.80 2.90 3 8 0 3.40 2.80 -3 8 0 7.80 3.20 3 8 0 13.40 3.30 4 -8 0 20.20 6.60 -4 -8 0 19.10 5.50 -4 -8 0 24.20 9.40 4 -8 0 19.20 3.80 4 -8 0 8.10 5.40 4 -8 0 23.70 4.60 4 -8 0 15.70 4.50 4 8 0 16.60 5.10 4 8 0 24.80 4.90 5 -8 0 76.69 7.40 -5 -8 0 66.19 14.50 5 -8 0 96.69 10.00 5 -8 0 75.99 8.40 5 -8 0 75.09 13.40 -5 -8 0 75.69 13.40 5 8 0 75.79 15.40 5 8 0 88.39 15.30 6 -8 0 74.69 10.10 6 -8 0 73.59 9.80 -6 -8 0 109.59 22.50 6 -8 0 96.29 16.90 6 -8 0 79.89 8.90 -6 -8 0 82.59 15.00 6 8 0 67.39 14.50 6 8 0 101.39 13.20 -7 -8 0 14.00 7.20 -7 -8 0 6.30 7.00 7 -8 0 0.00 3.00 7 -8 0 -2.40 3.10 7 8 0 -1.50 4.80 7 8 0 5.30 5.00 7 8 0 5.10 4.50 0 -9 0 0.80 1.20 0 -9 0 1.70 1.10 0 -9 0 1.10 1.30 0 9 0 0.90 1.10 0 9 0 -0.80 1.10 0 9 0 1.20 2.00 0 9 0 0.50 0.90 -1 -9 0 137.09 7.80 1 -9 0 145.19 8.90 1 -9 0 159.18 10.90 -1 -9 0 162.18 10.90 -1 -9 0 126.29 11.50 1 9 0 152.58 8.70 1 9 0 147.89 10.30 1 9 0 138.69 11.10 -1 9 0 143.99 7.60 1 9 0 139.69 11.10 -1 9 0 152.38 11.20 -2 -9 0 11.90 5.40 2 -9 0 15.10 4.20 2 -9 0 17.00 6.30 -2 -9 0 12.50 3.40 -2 -9 0 15.60 4.90 2 9 0 19.00 5.20 -2 9 0 17.40 4.80 2 9 0 16.10 3.30 2 9 0 13.70 5.00 -2 9 0 16.60 3.50 2 9 0 17.70 4.90 -3 -9 0 12.70 4.10 3 -9 0 11.00 3.80 -3 -9 0 13.70 5.30 3 -9 0 12.50 3.30 3 9 0 5.80 2.80 3 9 0 9.50 3.00 -3 9 0 15.00 4.20 -4 -9 0 215.28 21.60 4 -9 0 193.08 19.20 4 -9 0 211.48 17.90 4 -9 0 222.88 10.50 4 -9 0 209.08 9.80 -4 -9 0 203.68 16.60 4 -9 0 219.38 13.10 4 9 0 233.08 18.80 4 9 0 212.08 13.40 5 -9 0 56.89 6.80 5 -9 0 62.09 6.20 -5 -9 0 68.49 13.00 5 -9 0 41.70 9.60 -5 -9 0 55.09 14.10 5 -9 0 68.89 8.00 5 9 0 56.29 14.00 5 9 0 68.69 12.80 6 -9 0 44.10 9.50 -6 -9 0 48.60 13.70 6 -9 0 56.19 12.70 6 -9 0 50.49 8.60 -6 -9 0 56.89 12.40 6 -9 0 42.60 7.40 6 9 0 45.10 12.60 6 9 0 39.70 10.40 7 -9 0 31.50 7.00 -7 -9 0 22.70 15.70 -7 -9 0 16.00 7.70 7 -9 0 18.20 7.20 7 -9 0 18.70 10.50 7 9 0 33.80 9.10 7 9 0 18.20 16.20 7 9 0 35.80 13.00 0 -10 0 349.87 14.40 0 -10 0 337.07 17.20 0 -10 0 359.56 15.60 0 10 0 337.37 15.00 0 10 0 345.77 16.10 0 10 0 335.47 13.10 0 10 0 329.27 15.50 -1 -10 0 68.19 5.70 1 -10 0 61.69 6.90 -1 -10 0 60.49 8.30 1 -10 0 78.49 7.00 -1 -10 0 62.89 7.00 -1 10 0 62.99 5.20 1 10 0 73.59 6.40 1 10 0 71.69 7.50 -1 10 0 60.39 7.20 1 10 0 65.89 8.00 1 10 0 74.99 8.40 2 -10 0 6.30 3.00 2 -10 0 5.10 3.90 -2 -10 0 6.70 3.40 2 10 0 9.10 2.70 -2 10 0 5.50 2.10 2 10 0 2.20 2.10 2 10 0 8.20 3.70 2 10 0 3.70 2.40 -2 10 0 6.40 2.90 3 -10 0 10.50 4.20 3 -10 0 4.70 2.00 -3 -10 0 6.70 2.80 -3 -10 0 7.20 4.10 3 10 0 6.60 3.90 -3 10 0 8.30 3.10 3 10 0 3.20 2.00 -4 -10 0 117.99 16.30 4 -10 0 129.99 14.20 4 -10 0 129.99 9.80 4 -10 0 134.59 16.60 -4 -10 0 112.19 11.90 4 10 0 117.89 13.40 -5 -10 0 -5.20 2.80 5 -10 0 1.70 1.30 5 -10 0 -1.00 2.00 5 -10 0 0.40 3.60 5 -10 0 -3.90 1.80 5 10 0 4.50 3.50 5 10 0 1.80 3.30 6 -10 0 50.69 5.90 6 -10 0 33.00 7.20 6 -10 0 36.50 9.00 -6 -10 0 28.70 9.00 6 -10 0 42.30 11.50 -6 -10 0 30.90 10.20 6 10 0 45.00 10.80 6 10 0 46.70 12.00 -7 -10 0 21.10 8.70 7 -10 0 10.20 4.40 -7 -10 0 21.30 9.00 7 10 0 23.10 8.40 7 10 0 31.30 9.40 7 10 0 23.90 7.10 0 -11 0 4.30 2.20 0 -11 0 1.90 1.30 0 -11 0 2.70 2.20 0 11 0 4.30 1.70 0 11 0 0.70 2.00 0 11 0 4.20 2.00 0 11 0 -0.50 2.30 1 -11 0 49.80 6.70 1 -11 0 47.90 5.80 -1 -11 0 36.80 6.60 -1 -11 0 46.00 9.30 -1 -11 0 52.39 5.30 1 11 0 45.10 5.90 1 11 0 45.90 6.70 -1 11 0 45.60 4.80 1 11 0 56.49 6.00 -1 11 0 38.10 9.40 1 11 0 54.39 7.00 2 -11 0 58.29 11.70 -2 -11 0 63.69 12.50 2 -11 0 53.49 6.90 -2 -11 0 54.69 6.00 2 -11 0 58.09 9.90 -2 11 0 44.50 5.00 2 11 0 50.89 10.40 2 11 0 51.39 10.60 -2 11 0 53.99 9.50 2 11 0 60.29 6.00 2 11 0 46.70 9.00 3 -11 0 574.74 20.30 -3 -11 0 609.04 35.60 3 -11 0 564.84 29.20 -3 -11 0 599.24 25.20 3 11 0 656.43 30.80 3 11 0 574.44 20.30 -3 11 0 594.44 23.70 -4 -11 0 38.60 11.50 -4 -11 0 44.20 9.50 4 -11 0 50.39 10.60 4 -11 0 34.20 5.20 4 11 0 39.80 5.60 4 11 0 25.80 6.90 -4 11 0 36.40 10.00 5 -11 0 24.90 6.00 5 -11 0 18.70 6.80 -5 -11 0 31.00 8.00 -5 -11 0 18.50 7.50 5 11 0 26.20 7.20 -6 -11 0 -1.10 4.20 6 -11 0 0.90 3.20 6 -11 0 2.10 2.40 6 -11 0 1.60 3.20 -6 -11 0 9.20 5.90 6 11 0 7.50 5.10 6 11 0 2.60 3.50 7 -11 0 39.90 9.10 7 -11 0 17.00 8.00 -7 -11 0 49.30 15.10 -7 -11 0 45.60 11.70 7 11 0 55.19 13.30 7 11 0 39.20 12.50 7 11 0 17.40 7.60 0 -12 0 29.00 6.90 0 -12 0 28.00 5.70 0 12 0 28.80 6.00 0 12 0 37.10 6.30 0 12 0 28.20 5.50 0 12 0 33.70 4.20 -1 -12 0 179.18 10.40 -1 -12 0 162.08 14.70 1 -12 0 161.78 12.60 1 -12 0 155.28 11.10 1 12 0 165.98 10.90 1 12 0 151.18 11.30 1 12 0 160.48 13.40 1 12 0 143.19 12.40 -1 12 0 164.88 13.10 -1 12 0 157.98 9.30 -2 -12 0 23.30 8.10 -2 -12 0 21.00 4.50 2 -12 0 25.30 5.60 2 -12 0 23.40 5.60 2 12 0 17.10 4.80 2 12 0 28.40 5.20 2 12 0 30.90 7.60 -2 12 0 26.40 4.60 -3 -12 0 1.60 2.00 3 -12 0 2.90 2.40 -3 -12 0 5.90 3.80 3 -12 0 2.90 3.20 -3 12 0 2.20 2.10 3 12 0 2.50 2.20 3 12 0 2.50 2.00 -4 -12 0 33.00 10.20 4 -12 0 29.00 5.60 4 -12 0 23.90 8.20 4 -12 0 27.30 8.20 -4 -12 0 26.20 7.00 4 12 0 27.70 7.70 -4 12 0 24.80 6.80 4 12 0 24.30 4.90 5 -12 0 16.20 4.70 -5 -12 0 11.80 5.60 -5 -12 0 -2.20 3.70 5 -12 0 6.20 3.10 5 12 0 21.70 5.90 6 -12 0 0.60 2.40 -6 -12 0 4.80 6.70 -6 -12 0 4.70 6.50 6 -12 0 5.30 3.50 7 -12 0 -6.00 4.90 -7 -12 0 2.20 7.80 -7 -12 0 16.00 7.40 7 12 0 8.10 9.40 7 12 0 7.10 7.00 0 -13 0 1.60 2.60 0 -13 0 3.40 3.20 0 13 0 6.20 2.50 0 13 0 3.10 2.80 0 13 0 4.60 2.80 0 13 0 5.50 2.00 -1 -13 0 306.97 20.90 1 -13 0 291.47 16.20 -1 -13 0 299.67 14.30 1 -13 0 304.77 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7.60 5 -4 3 22.20 5.90 5 4 3 20.30 5.90 -5 4 -3 21.30 8.30 5 4 3 16.30 5.90 6 -4 3 19.60 8.10 6 -4 3 34.50 7.40 6 -4 3 19.90 6.90 -6 -4 -3 28.70 11.40 -6 4 -3 21.80 8.70 6 4 3 48.70 11.90 6 4 3 9.70 5.00 7 -4 3 19.30 6.20 7 -4 3 8.60 6.80 -7 -4 -3 3.90 6.90 7 -4 3 23.50 7.70 7 4 3 0.80 4.70 -7 4 -3 6.90 9.30 7 4 3 7.90 6.60 7 -5 -3 27.80 7.90 7 -5 -3 26.40 7.50 7 -5 -3 39.00 9.50 -7 -5 3 27.70 11.20 7 5 -3 22.00 8.60 7 5 -3 26.00 7.20 7 5 -3 42.70 11.00 -6 -5 3 19.20 8.10 6 -5 -3 29.80 7.20 6 -5 -3 31.20 7.50 6 -5 -3 17.40 7.00 -6 5 3 31.90 9.10 6 5 -3 29.90 7.00 6 5 -3 28.60 8.40 6 5 -3 23.40 11.30 5 -5 -3 218.78 15.70 -5 -5 3 212.88 22.20 -5 -5 3 205.78 20.20 5 -5 -3 239.08 17.50 5 -5 -3 222.48 20.00 5 -5 -3 220.98 17.80 5 -5 -3 222.28 16.90 -5 -5 3 193.18 15.80 5 5 -3 222.98 15.20 5 5 -3 235.68 20.60 5 5 -3 227.08 14.60 -5 5 3 217.68 17.30 4 -5 -3 2.40 2.60 -4 -5 3 -0.40 2.40 4 -5 -3 0.60 1.60 -4 -5 3 2.60 2.90 -4 -5 3 0.60 2.00 4 -5 -3 -0.20 1.90 4 -5 -3 -1.40 1.90 -4 5 3 1.40 2.20 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32.80 9.70 -6 6 -3 34.10 11.20 -7 -6 -3 44.30 13.20 7 -6 3 21.20 9.40 7 -6 3 31.60 6.90 7 -6 3 26.30 7.40 7 6 3 21.10 8.50 -7 6 -3 22.60 12.20 7 6 3 26.60 8.40 7 -7 -3 43.20 9.10 -7 -7 3 42.70 14.10 7 -7 -3 57.89 8.90 7 -7 -3 49.60 12.10 7 7 -3 45.10 8.70 7 7 -3 29.30 10.30 7 7 -3 37.70 12.10 -6 -7 3 10.20 5.30 6 -7 -3 -2.10 2.70 6 7 -3 1.90 4.10 -6 7 3 6.80 4.60 6 7 -3 14.60 4.80 6 7 -3 5.70 3.70 5 -7 -3 212.08 16.30 -5 -7 3 218.68 21.00 5 -7 -3 204.98 14.40 5 -7 -3 197.48 13.80 5 -7 -3 219.78 18.40 -5 -7 3 214.08 22.80 -5 -7 3 201.18 15.30 5 7 -3 189.78 19.20 -5 7 3 208.78 17.20 5 7 -3 209.18 12.80 5 7 -3 227.68 13.90 -4 -7 3 5.30 2.90 4 -7 -3 12.80 4.00 -4 -7 3 10.20 5.10 4 -7 -3 13.40 3.40 4 -7 -3 12.70 3.60 -4 -7 3 14.40 5.80 4 -7 -3 9.70 3.20 -4 7 3 15.90 4.40 4 7 -3 5.10 2.20 4 7 -3 10.10 4.60 4 7 -3 12.90 3.10 3 -7 -3 7.70 1.70 -3 -7 3 9.30 4.20 3 -7 -3 5.50 2.30 3 -7 -3 7.30 4.10 3 -7 -3 7.50 2.50 -3 -7 3 0.70 2.00 -3 7 3 2.40 2.20 3 7 -3 7.90 3.10 -3 7 3 6.50 2.40 3 7 -3 3.80 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13.80 5.90 -5 -14 -3 4.90 4.40 5 14 3 4.70 3.00 5 14 3 -4.00 4.40 -6 -14 -3 72.29 17.30 6 -14 3 56.49 13.60 6 -14 3 85.19 11.00 -6 -14 -3 79.29 19.80 6 14 3 85.49 15.90 6 14 3 52.29 15.90 6 -15 -3 2.00 7.30 5 -15 -3 4.00 3.90 -5 -15 3 5.60 3.60 5 15 -3 12.10 5.10 4 -15 -3 37.70 9.50 -4 -15 3 42.90 13.00 -4 -15 3 26.20 9.10 4 15 -3 14.20 6.50 -3 -15 3 110.29 15.70 3 -15 -3 93.89 11.90 -3 -15 3 103.39 13.20 3 15 -3 93.49 12.50 2 -15 -3 23.80 7.30 -2 -15 3 30.80 9.00 2 -15 -3 24.50 4.30 -2 -15 3 20.80 6.50 -2 -15 3 34.40 4.00 2 15 -3 25.40 7.10 -2 15 3 18.10 3.70 2 15 -3 17.00 4.10 -1 -15 3 132.59 9.60 -1 -15 3 131.89 15.00 -1 -15 3 133.29 12.20 1 -15 -3 122.19 9.40 -1 -15 3 139.79 12.70 1 -15 -3 123.39 10.20 1 -15 -3 141.79 13.20 -1 15 3 136.99 9.00 1 15 -3 133.89 12.30 1 15 -3 135.09 11.80 -1 15 3 141.09 8.30 1 15 -3 123.99 10.40 0 -15 3 154.68 15.60 0 -15 3 167.78 12.20 0 -15 -3 152.98 12.20 0 -15 3 156.58 14.90 0 -15 -3 146.99 13.40 0 -15 -3 164.88 13.10 0 15 3 172.28 10.80 0 15 -3 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2.80 2.40 -2 -16 3 -0.20 1.90 -2 -16 3 5.10 3.60 2 -16 -3 2.10 2.80 -2 16 3 3.40 1.60 2 16 -3 5.40 2.40 2 16 -3 3.10 2.50 1 -16 -3 3.70 3.10 -1 -16 3 0.10 3.80 1 -16 -3 10.10 4.80 1 -16 -3 5.40 2.60 -1 -16 3 5.70 4.90 -1 -16 3 7.90 3.50 1 16 -3 13.00 3.80 -1 16 3 11.80 3.80 1 16 -3 9.20 3.90 1 16 -3 6.70 3.50 -1 16 3 8.00 2.40 0 -16 3 1.30 3.20 0 -16 3 0.50 3.50 0 -16 -3 4.60 3.10 0 -16 3 1.70 3.60 0 -16 -3 1.10 2.50 0 -16 -3 5.50 2.80 0 16 3 3.90 3.00 0 16 -3 1.60 2.80 0 16 3 4.10 2.20 0 16 3 4.40 3.50 0 16 -3 6.30 2.70 0 16 -3 5.50 2.80 1 -16 3 21.60 5.90 -1 -16 -3 19.40 6.90 -1 -16 -3 14.00 4.30 1 -16 3 27.10 7.60 1 16 3 11.10 4.00 -2 -16 -3 121.49 15.70 2 -16 3 131.19 13.90 -2 -16 -3 136.99 13.00 2 -16 3 119.89 13.80 2 16 3 134.99 12.90 -3 -16 -3 -3.80 2.40 3 -16 3 3.20 3.00 3 -16 3 2.00 4.50 3 16 3 5.40 2.30 3 16 3 2.70 3.00 4 -16 3 3.40 3.10 4 -16 3 3.00 4.50 -4 -16 -3 5.90 3.50 -4 -16 -3 6.40 4.60 4 16 3 0.00 2.50 4 16 3 -2.20 4.10 5 -16 3 34.60 9.40 5 -16 3 29.00 7.90 -5 -16 -3 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16.20 5.80 -1 -18 3 6.50 3.40 1 -18 -3 8.10 3.50 -1 18 3 15.10 4.20 -1 18 3 4.20 3.80 1 18 -3 -3.70 3.00 -1 18 3 4.70 2.20 1 18 -3 5.60 3.20 0 -18 -3 24.70 6.10 0 -18 -3 38.20 11.10 0 -18 3 46.40 10.60 0 -18 -3 35.00 7.80 0 -18 3 35.20 7.10 0 18 3 37.90 7.70 0 18 3 29.40 7.70 0 18 3 36.70 6.20 0 18 -3 44.00 7.10 0 18 -3 35.40 6.40 1 -18 3 -5.40 2.30 -1 -18 -3 -0.90 4.30 1 -18 3 -4.10 1.80 -1 -18 -3 0.20 1.80 1 18 3 3.20 2.10 -2 -18 -3 130.49 17.00 2 -18 3 156.88 15.50 -2 -18 -3 144.19 14.10 2 -18 3 132.09 14.20 2 18 3 140.69 13.40 -3 -18 -3 11.20 7.20 3 -18 3 20.00 7.00 3 -18 3 9.10 5.10 -3 -18 -3 15.00 5.60 3 18 3 15.90 5.70 -4 -18 -3 12.00 7.40 4 -18 3 11.30 5.40 -4 -18 -3 3.20 5.20 4 -18 3 0.00 6.70 4 18 3 6.30 4.30 4 18 3 -0.40 5.40 5 -18 3 30.20 8.40 -5 -18 -3 27.60 10.80 5 -18 3 22.40 10.80 5 18 3 31.90 9.00 -5 -19 3 9.50 6.50 5 -19 -3 3.80 4.40 5 19 -3 0.10 3.90 -4 -19 3 12.10 8.40 4 -19 -3 25.40 8.30 4 19 -3 30.10 8.90 -3 -19 3 46.30 12.60 3 -19 -3 42.60 10.60 -3 -19 3 31.20 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11.50 4.50 0 18 -4 8.00 3.40 0 18 -4 6.30 3.40 0 18 4 6.10 2.70 1 -18 4 18.50 7.60 1 -18 4 22.60 6.70 -1 -18 -4 18.80 6.10 -1 -18 -4 20.10 6.40 1 18 4 11.60 4.50 -2 -18 -4 5.80 5.00 2 -18 4 1.60 3.80 -2 -18 -4 -3.10 3.20 2 -18 4 -0.10 2.50 2 18 4 1.30 2.60 2 18 4 8.80 4.20 3 -18 4 38.70 9.20 -3 -18 -4 32.90 9.90 -3 -18 -4 37.40 9.70 3 -18 4 31.10 9.40 3 18 4 34.00 8.60 3 18 4 45.30 11.20 4 -18 4 4.20 5.50 4 -18 4 -6.40 2.60 -4 -18 -4 -1.20 4.20 -4 -18 -4 -3.70 4.30 4 18 4 -4.50 4.70 4 18 4 3.80 3.20 -5 -18 -4 2.00 8.20 -5 -18 -4 -5.90 5.80 5 -18 4 22.90 8.50 5 -18 4 4.60 5.60 5 18 4 6.90 6.50 5 18 4 10.70 3.80 -5 -19 4 3.30 6.60 5 -19 -4 -10.60 4.40 5 19 -4 5.90 7.10 4 -19 -4 31.90 9.20 -4 -19 4 31.20 12.30 4 19 -4 43.10 11.30 -3 -19 4 15.00 5.50 3 -19 -4 8.00 5.20 3 19 -4 13.30 5.00 2 -19 -4 3.20 2.70 2 -19 -4 -1.10 2.40 -2 -19 4 4.40 4.90 -2 -19 4 3.30 4.40 -2 -19 4 0.60 2.00 2 19 -4 2.60 3.20 2 19 -4 -5.40 2.80 -2 19 4 -1.00 1.80 1 -19 -4 72.29 8.90 -1 -19 4 44.10 9.90 1 -19 -4 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3.50 2 -20 -4 72.99 13.10 2 -20 -4 49.50 6.90 -2 -20 4 48.60 6.40 -2 -20 4 52.29 13.40 -2 -20 4 54.29 13.40 2 20 -4 47.50 9.90 -2 20 4 59.79 8.30 2 20 -4 64.19 8.60 -2 20 4 49.20 6.00 1 -20 -4 34.00 7.60 -1 -20 4 27.60 6.00 1 -20 -4 42.50 7.50 -1 -20 4 27.80 10.00 1 -20 -4 27.30 7.20 -1 20 4 25.00 5.20 1 20 -4 36.60 8.10 -1 20 4 38.70 6.60 1 20 -4 27.40 9.80 -1 20 4 36.90 8.90 0 -20 4 35.80 10.60 0 -20 -4 39.80 9.40 0 -20 4 40.30 8.40 0 -20 -4 36.80 8.50 0 20 4 34.30 6.50 0 20 -4 38.30 7.00 0 20 4 29.00 9.40 -1 -20 -4 88.49 16.00 1 -20 4 75.99 12.70 1 -20 4 91.09 12.60 1 20 4 85.19 9.60 2 -20 4 12.60 6.00 -2 -20 -4 12.60 6.90 2 -20 4 11.20 5.10 -2 -20 -4 15.60 8.00 2 20 4 23.80 7.90 2 20 4 17.40 5.90 3 -20 4 7.90 5.60 3 -20 4 2.00 3.70 -3 -20 -4 6.20 4.90 3 20 4 9.80 8.00 3 20 4 8.00 3.70 -4 -20 -4 6.40 5.10 4 -20 4 1.50 5.80 -4 -20 -4 11.70 6.30 4 -20 4 9.90 7.60 4 20 4 3.80 5.40 4 20 4 10.10 9.00 4 -21 -4 4.10 5.60 4 21 -4 8.60 5.70 -3 -21 4 3.60 5.30 3 -21 -4 13.50 6.00 3 21 -4 5.30 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3.40 -4 -3 10 18.30 4.30 -4 3 10 2.30 3.70 -4 3 10 4.10 4.00 4 3 -10 11.00 4.00 4 3 -10 14.80 3.20 3 -3 -10 32.00 4.60 -3 -3 10 25.70 4.60 -3 -3 10 26.50 8.30 -3 -3 10 31.90 8.90 3 -3 -10 31.50 6.40 3 3 -10 29.30 5.50 -3 3 10 25.60 6.50 -3 3 10 30.00 7.00 2 -3 -10 248.78 14.40 -2 -3 10 242.58 12.90 2 -3 -10 254.97 16.50 -2 -3 10 235.98 19.30 -2 -3 10 259.37 19.60 -2 3 10 240.18 18.50 2 3 -10 237.68 14.90 -2 3 10 239.38 15.80 1 -3 -10 18.30 4.80 -1 -3 10 18.60 4.40 1 -3 -10 28.90 7.40 -1 -3 10 16.50 7.30 -1 -3 10 13.60 5.30 -1 3 10 16.10 5.60 1 3 -10 35.50 7.60 -1 3 10 23.60 6.00 0 -3 10 243.78 17.20 0 -3 10 278.37 18.90 0 -3 10 234.58 17.00 0 -3 -10 268.57 19.90 0 3 10 253.87 15.10 0 3 10 276.67 17.50 0 3 -10 258.87 19.70 -1 -3 -10 23.40 6.80 1 -3 10 19.60 5.60 1 -3 10 27.30 6.40 1 3 10 25.50 6.60 1 3 10 15.60 4.20 -1 3 -10 26.00 8.50 -2 -3 -10 41.30 11.00 2 -3 10 30.30 6.20 2 -3 10 28.10 6.90 -2 3 -10 52.79 12.70 2 3 10 37.30 8.20 2 3 10 39.40 7.70 3 -3 10 -0.60 1.70 3 -3 10 9.10 3.70 -3 -3 -10 9.70 6.40 3 3 10 8.70 4.80 3 3 10 1.00 3.20 -3 3 -10 -2.10 4.70 4 -3 10 84.89 9.60 -4 -3 -10 54.99 14.10 4 -3 10 99.49 12.30 4 3 10 78.29 9.90 4 3 10 81.49 11.90 -4 3 -10 69.59 17.70 -5 -3 -10 11.60 5.30 5 -3 10 -2.20 2.70 5 -3 10 0.20 2.00 -5 3 -10 -7.30 5.00 5 3 10 -1.60 2.60 7 -4 -10 7.00 5.30 -6 -4 10 9.40 4.80 -6 -4 10 10.80 8.00 6 -4 -10 1.20 3.70 6 -4 -10 -0.30 4.20 -6 4 10 5.20 6.50 -6 4 10 14.40 6.20 -5 -4 10 -0.40 4.90 5 -4 -10 -0.80 3.10 -5 -4 10 6.10 4.40 5 -4 -10 2.10 2.50 -5 4 10 9.20 5.10 -5 4 10 6.90 5.20 4 -4 -10 146.99 9.50 -4 -4 10 168.58 17.90 4 -4 -10 152.18 12.30 -4 -4 10 126.09 16.70 -4 4 10 140.79 16.60 -4 4 10 163.38 13.90 3 -4 -10 32.00 6.90 -3 -4 10 28.40 8.30 -3 -4 10 23.70 8.00 -3 -4 10 21.40 4.20 3 -4 -10 23.20 5.00 -3 4 10 30.50 6.70 3 4 -10 27.70 5.20 -3 4 10 18.10 6.80 2 -4 -10 523.45 21.20 -2 -4 10 538.25 29.00 2 -4 -10 580.54 26.00 -2 -4 10 541.45 19.30 -2 -4 10 515.25 30.30 2 4 -10 508.95 22.60 -2 4 10 555.14 28.90 -2 4 10 533.45 23.00 1 -4 -10 47.20 9.10 -1 -4 10 53.09 11.00 -1 -4 10 45.40 9.60 1 -4 -10 31.50 6.70 -1 -4 10 41.10 7.20 -1 4 10 46.10 8.00 1 4 -10 38.30 8.30 -1 4 10 41.00 8.80 0 -4 -10 104.29 12.20 0 -4 10 83.49 11.90 0 -4 -10 85.29 10.40 0 -4 10 94.99 11.40 0 -4 10 83.79 9.30 0 4 10 94.59 9.00 0 4 -10 113.19 13.10 0 4 10 108.29 10.70 1 -4 10 18.00 5.60 1 -4 10 15.10 4.70 -1 -4 -10 4.40 3.20 1 4 10 18.00 5.40 -1 4 -10 12.90 6.20 1 4 10 11.30 3.60 2 -4 10 190.58 14.10 2 -4 10 187.68 15.60 -2 -4 -10 199.28 20.30 2 4 10 185.28 14.40 2 4 10 216.18 17.10 -2 4 -10 191.28 21.50 3 -4 10 16.30 5.00 -3 -4 -10 17.10 6.80 3 -4 10 25.40 6.80 3 4 10 13.70 6.00 3 4 10 11.30 3.70 -3 4 -10 3.40 5.40 -4 -4 -10 2.50 3.20 4 -4 10 -3.40 2.20 4 -4 10 5.50 2.90 4 4 10 4.50 3.80 -4 4 -10 1.30 4.40 4 4 10 8.30 3.40 5 -4 10 -2.50 3.00 5 -4 10 0.40 3.40 -5 -4 -10 3.20 7.30 -5 4 -10 -7.90 7.20 5 4 10 -2.10 3.60 6 -5 -10 25.50 12.80 -6 -5 10 22.90 10.10 -6 -5 10 34.70 10.70 -6 5 10 43.60 9.10 -6 5 10 25.90 9.10 5 -5 -10 10.30 3.50 -5 -5 10 5.80 4.90 -5 -5 10 3.80 6.00 5 -5 -10 5.00 4.40 -5 5 10 6.10 6.00 -5 5 10 12.90 5.10 4 -5 -10 3.70 1.90 -4 -5 10 -3.30 2.70 -4 -5 10 7.50 4.70 4 -5 -10 5.80 2.90 -4 5 10 -0.30 3.30 -4 5 10 6.90 4.00 -3 -5 10 53.69 12.20 3 -5 -10 72.29 6.50 -3 -5 10 67.69 13.40 3 -5 -10 59.29 8.00 -3 5 10 68.79 12.90 -3 5 10 45.80 6.80 -2 -5 10 99.49 7.50 -2 -5 10 90.89 12.60 -2 -5 10 100.49 12.80 2 -5 -10 106.59 9.00 2 -5 -10 111.69 10.90 -2 5 10 97.69 9.40 -2 5 10 116.89 12.70 2 5 -10 95.99 9.30 -1 -5 10 38.60 10.10 -1 -5 10 36.10 6.00 -1 -5 10 22.70 6.10 1 -5 -10 26.10 6.40 1 -5 -10 32.30 7.70 -1 5 10 27.00 6.20 1 5 -10 34.10 7.80 -1 5 10 33.80 7.70 0 -5 -10 164.68 15.20 0 -5 10 159.88 12.60 0 -5 10 143.49 15.30 0 -5 -10 159.58 14.10 0 -5 10 161.38 14.50 0 5 10 172.08 12.00 0 5 -10 186.18 17.00 0 5 10 179.28 14.10 -1 -5 -10 43.30 10.30 1 -5 10 43.30 8.70 1 -5 10 62.59 9.40 1 5 10 56.99 7.80 1 5 10 51.19 9.00 -1 5 -10 64.49 12.80 2 -5 10 5.50 3.50 -2 -5 -10 3.50 4.10 2 -5 10 5.60 3.20 -2 5 -10 -5.50 3.60 -3 -5 -10 38.60 11.10 3 -5 10 31.40 6.50 3 -5 10 28.70 7.00 3 5 10 29.60 7.20 3 5 10 33.70 8.70 -3 5 -10 31.30 10.70 -4 -5 -10 96.79 19.70 4 -5 10 75.89 11.60 4 -5 10 93.59 9.60 -4 5 -10 69.49 16.80 4 5 10 86.09 10.70 4 5 10 112.29 14.00 5 -5 10 12.40 5.70 5 -5 10 8.30 4.10 -5 -5 -10 15.50 8.50 -5 5 -10 -11.50 9.10 5 5 10 -0.90 4.00 5 5 10 18.50 7.90 -6 -6 10 1.90 7.80 6 -6 -10 6.70 4.30 -6 -6 10 13.30 7.90 -6 6 10 6.20 6.30 -5 -6 10 3.20 3.90 5 -6 -10 3.90 3.50 -5 -6 10 5.30 4.60 -5 6 10 8.50 5.00 4 -6 -10 104.99 10.70 -4 -6 10 96.49 14.20 -4 -6 10 93.19 18.00 -4 6 10 74.39 13.40 -3 -6 10 116.09 14.50 3 -6 -10 115.09 11.10 3 -6 -10 109.99 7.80 -3 -6 10 95.89 17.00 -3 6 10 116.09 9.40 -3 6 10 111.99 13.40 -2 -6 10 16.60 5.50 2 -6 -10 17.20 4.50 -2 -6 10 7.30 2.90 -2 -6 10 13.40 5.80 2 -6 -10 12.40 4.40 2 6 -10 18.60 4.30 -2 6 10 12.10 5.20 1 -6 -10 103.89 11.50 -1 -6 10 98.59 14.20 1 -6 -10 102.19 10.10 -1 -6 10 93.09 12.20 -1 -6 10 104.89 8.60 -1 6 10 114.29 11.60 -1 6 10 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-3 -7 10 42.80 11.10 -3 -7 10 32.90 9.00 -3 7 10 31.90 7.90 2 -7 -10 87.19 8.10 -2 -7 10 90.59 6.60 -2 -7 10 84.29 15.10 -2 -7 10 108.99 14.30 -2 7 10 97.49 11.70 -2 7 10 100.79 8.70 2 7 -10 88.39 8.50 -1 -7 10 48.60 11.60 1 -7 -10 47.60 7.10 -1 -7 10 46.20 9.60 -1 -7 10 57.59 6.40 1 -7 -10 50.09 9.70 1 7 -10 65.89 9.00 -1 7 10 52.49 9.30 -1 7 10 58.29 6.70 0 -7 10 1.80 2.40 0 -7 -10 0.50 1.60 0 -7 10 1.40 2.00 0 -7 -10 3.60 3.10 0 -7 10 4.00 6.00 0 7 -10 0.80 2.40 0 7 10 -0.80 1.40 0 7 10 -2.00 1.50 0 7 10 2.20 3.60 1 -7 10 -1.90 2.40 1 -7 10 5.10 4.40 -1 -7 -10 2.60 3.10 1 7 10 -0.90 1.30 -1 7 -10 -4.80 2.70 -2 -7 -10 8.60 4.80 2 -7 10 18.00 7.00 2 -7 10 22.00 5.40 -2 7 -10 12.00 6.90 2 7 10 9.60 4.80 2 7 10 27.90 7.70 3 -7 10 39.50 8.30 3 -7 10 68.49 8.50 -3 -7 -10 47.80 13.00 3 7 10 72.29 9.50 3 7 10 51.39 10.50 -3 7 -10 58.19 15.20 4 -7 10 17.00 5.50 4 -7 10 11.00 4.50 -4 -7 -10 23.50 10.30 -4 7 -10 29.20 9.60 4 7 10 15.70 4.80 4 7 10 13.50 6.50 5 -7 10 19.30 5.30 -5 -7 -10 5.60 8.10 5 -7 10 20.30 8.20 5 7 10 10.00 6.60 5 7 10 29.00 8.60 -6 -8 10 3.40 7.20 6 -8 -10 6.60 4.30 -6 -8 10 -5.30 4.20 -6 8 10 1.00 4.20 -5 -8 10 6.40 6.80 5 -8 -10 4.00 3.20 -5 -8 10 -2.40 3.90 -5 8 10 -0.80 4.10 4 -8 -10 13.50 5.10 -4 -8 10 15.30 6.40 -4 -8 10 18.20 10.50 -4 8 10 17.60 6.60 -3 -8 10 115.99 15.20 -3 -8 10 109.19 14.60 3 -8 -10 109.19 11.10 -3 8 10 97.89 12.40 2 -8 -10 6.40 2.80 -2 -8 10 12.30 5.70 -2 -8 10 6.00 4.30 2 -8 -10 11.00 3.80 -2 8 10 5.00 2.70 -2 8 10 5.50 3.00 -2 8 10 1.30 2.80 -1 -8 10 50.79 10.80 -1 -8 10 53.19 6.30 1 -8 -10 54.49 7.40 1 -8 -10 55.89 10.30 -1 -8 10 59.59 12.90 -1 8 10 60.19 8.70 -1 8 10 52.09 6.30 -1 8 10 49.20 9.20 1 8 -10 52.29 9.50 0 -8 10 8.80 3.60 0 -8 10 10.60 4.60 0 -8 -10 31.00 7.10 0 -8 10 23.20 8.20 0 -8 -10 19.40 6.90 0 8 10 18.00 4.90 0 8 -10 26.30 7.60 0 8 10 20.00 7.30 1 -8 10 426.16 23.50 1 -8 10 433.86 26.60 -1 -8 -10 463.15 29.40 1 8 10 417.76 22.60 -1 8 -10 472.25 31.80 1 8 10 463.15 23.70 -2 -8 -10 1.90 2.90 2 -8 10 3.00 3.50 2 -8 10 0.10 2.70 -2 8 -10 2.80 4.10 2 8 10 1.90 2.00 2 8 10 2.20 2.30 3 -8 10 96.79 9.90 -3 -8 -10 81.69 17.30 3 -8 10 86.19 11.70 3 8 10 117.49 14.20 -3 8 -10 98.09 20.20 3 8 10 93.69 11.10 4 -8 10 1.50 2.60 -4 -8 -10 10.40 4.70 -4 8 -10 12.20 7.70 4 8 10 3.10 3.90 4 8 10 1.90 2.30 5 -8 10 12.40 5.80 -5 -8 -10 8.10 4.90 5 -8 10 16.20 4.90 5 -8 10 20.00 7.30 5 8 10 4.70 4.20 5 8 10 4.90 3.80 -5 8 -10 8.50 6.30 -6 -9 10 2.60 5.40 -6 -9 10 12.80 6.80 6 -9 -10 0.20 4.20 -6 9 10 9.80 7.10 5 -9 -10 8.60 4.50 -5 -9 10 1.50 5.20 -5 -9 10 2.10 5.50 -5 9 10 6.80 6.10 -4 -9 10 -3.60 3.40 4 -9 -10 6.80 4.00 -4 -9 10 5.00 3.70 -4 9 10 -2.00 3.00 3 -9 -10 0.60 2.50 -3 -9 10 3.70 2.90 -3 -9 10 3.50 3.30 -3 9 10 -1.00 2.30 -2 -9 10 53.09 11.40 -2 -9 10 36.20 10.30 2 -9 -10 32.10 7.20 -2 9 10 31.80 7.90 1 -9 -10 107.79 12.00 -1 -9 10 114.19 13.60 -1 -9 10 111.19 8.80 -1 -9 10 138.09 15.70 1 -9 -10 106.19 10.20 -1 9 10 101.59 11.00 -1 9 10 107.59 11.30 1 9 -10 117.09 11.70 -1 9 10 113.99 8.30 0 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5.60 1 -5 16 -8.10 4.60 -1 5 -16 13.10 9.00 1 5 16 2.90 4.00 1 5 16 0.60 3.40 3 -6 -16 5.90 5.10 -3 -6 16 6.50 6.10 -3 -6 16 -1.80 6.10 -3 6 16 3.30 5.70 2 -6 -16 -6.50 4.10 -2 -6 16 -4.20 6.40 -2 -6 16 -8.80 5.00 -2 6 16 8.70 4.80 -2 6 16 -4.00 5.20 2 6 -16 -4.20 4.40 -1 -6 16 -8.00 4.60 1 -6 -16 5.80 5.00 -1 -6 16 3.30 3.90 1 6 -16 3.20 5.20 -1 6 16 -6.90 3.70 -1 6 16 1.80 6.10 0 -6 16 17.40 8.80 0 -6 16 19.80 7.40 0 -6 -16 12.20 8.70 0 6 -16 24.10 10.30 0 6 16 9.00 5.90 1 -6 16 6.10 6.60 -1 -6 -16 10.80 5.70 1 -6 16 16.90 7.00 1 6 16 3.10 5.20 -1 6 -16 2.80 6.70 1 6 16 4.60 5.50 -3 -7 16 18.70 7.90 -3 -7 16 18.70 7.40 3 -7 -16 -4.70 5.70 -3 7 16 9.10 5.60 -2 -7 16 68.59 15.50 2 -7 -16 92.99 16.50 -2 -7 16 90.69 17.40 2 7 -16 101.29 14.20 -2 7 16 66.39 13.90 -2 7 16 87.59 12.10 -1 -7 16 51.89 13.20 -1 -7 16 55.29 13.70 1 -7 -16 45.70 11.30 1 7 -16 67.29 14.90 -1 7 16 55.29 11.50 -1 7 16 44.70 10.40 0 -7 16 4.10 4.10 0 -7 16 -5.80 5.70 0 -7 -16 16.00 9.80 0 7 16 6.20 4.60 0 7 -16 7.90 5.90 0 7 16 2.30 5.10 1 -7 16 -1.00 3.90 1 7 16 -8.80 3.80 -1 7 -16 -4.20 5.40 1 7 16 -4.70 3.90 -2 -8 16 6.50 11.50 -2 -8 16 1.90 5.50 2 -8 -16 -8.00 4.70 -2 8 16 8.50 6.00 -2 8 16 9.50 6.40 -1 -8 16 4.60 7.00 -1 -8 16 0.30 11.30 1 -8 -16 10.20 5.20 -1 8 16 5.40 6.00 -1 8 16 -3.90 4.30 1 8 -16 -4.00 7.10 0 -8 16 -11.10 5.60 0 -8 16 10.10 6.30 0 8 -16 -0.50 7.00 0 8 16 0.20 2.90 0 8 16 2.20 5.30 -2 -9 16 -8.80 4.80 2 -9 -16 5.20 5.10 -2 9 16 10.00 5.90 -2 9 16 -1.40 8.40 1 -9 -16 51.59 12.50 -1 -9 16 31.40 9.80 -1 9 16 44.60 9.70 -1 9 16 53.59 11.80 1 9 -16 37.40 12.10 0 -9 16 10.00 7.80 0 -9 -16 18.10 7.70 0 -9 16 12.70 6.10 0 9 16 1.40 4.30 0 9 16 1.10 4.60 0 9 -16 2.30 7.70 -1 -10 16 26.60 10.60 1 -10 -16 7.50 4.80 -1 -10 16 -0.30 5.20 -1 10 16 11.00 5.50 -1 10 16 1.10 5.90 1 10 -16 1.40 6.80 2 0 -17 2.20 5.50 -2 0 17 5.90 5.60 -2 0 17 3.70 5.50 1 0 -17 1.60 5.80 -1 0 17 0.20 7.40 -1 0 17 -8.20 3.50 0 0 -17 9.60 6.30 0 0 17 2.70 5.00 0 0 17 -3.40 5.70 -2 -1 17 -3.60 5.50 2 -1 -17 4.70 6.30 -2 -1 17 -1.50 4.40 2 1 -17 8.30 6.20 -2 1 17 10.60 4.90 -1 -1 17 14.60 8.20 1 -1 -17 17.30 7.20 -1 1 17 19.30 8.60 1 1 -17 6.50 6.30 -1 1 17 -1.80 5.20 0 -1 17 12.30 9.00 0 -1 17 -0.10 4.80 0 -1 -17 -1.90 5.40 0 1 -17 -4.80 6.50 0 1 17 6.50 6.40 0 1 17 9.40 6.30 -2 -2 17 0.40 6.80 -2 -2 17 4.90 5.00 2 2 -17 13.80 6.90 -2 2 17 15.10 6.20 -2 2 17 8.50 6.00 -1 -2 17 2.00 5.60 -1 -2 17 2.60 5.90 1 -2 -17 -2.20 5.20 -1 2 17 1.70 6.50 -1 2 17 -8.40 4.90 1 2 -17 -4.30 5.00 0 -2 17 8.50 5.10 0 -2 -17 -1.00 6.30 0 -2 17 7.90 8.50 0 2 17 3.50 6.80 0 2 -17 13.10 6.90 0 2 17 6.00 5.00 -2 -3 17 1.50 5.50 2 -3 -17 5.40 5.80 -2 -3 17 1.30 4.00 -2 3 17 8.00 6.20 -2 3 17 0.00 5.50 2 3 -17 -0.30 5.70 -1 -3 17 53.69 12.00 -1 -3 17 54.09 15.60 1 -3 -17 77.69 14.40 -1 3 17 68.89 13.40 -1 3 17 57.99 12.60 1 3 -17 65.89 16.90 0 -3 -17 -7.70 6.20 0 -3 17 -2.40 7.50 0 -3 17 -5.30 5.30 0 3 17 9.60 5.40 0 3 -17 18.10 8.60 0 3 17 -1.00 6.10 -1 -4 17 10.20 7.80 1 -4 -17 14.20 8.30 -1 -4 17 1.60 6.20 1 4 -17 2.40 7.10 -1 4 17 7.00 4.70 -1 4 17 7.80 6.40 1 -5 -17 15.20 9.90 1 5 -17 24.90 11.50 0 0 0 0.00 0.00 _computing_structure_solution 'SHELXT 2014/5 (Sheldrick, 2014)' ; _shelx_hkl_checksum 21244 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' 'x-1/2, -y-1/2, z-1/2' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_site_symmetry_order _atom_site_calc_flag _atom_site_refinement_flags_posn _atom_site_refinement_flags_adp S1 S 0.34756(11) 0.26804(3) 0.68312(5) 0.0416(2) Uani 1 1 d . . N1 N 0.3495(3) 0.37032(11) 0.93145(16) 0.0384(5) Uani 1 1 d . . O1 O 0.4324(3) 0.42215(10) 1.12830(14) 0.0505(5) Uani 1 1 d . . O2 O 0.7278(3) 0.27957(9) 0.94105(14) 0.0478(5) Uani 1 1 d . . O3 O 0.7242(3) 0.22057(10) 0.79980(15) 0.0557(6) Uani 1 1 d . . O4 O 0.1320(4) 0.41400(12) 0.53140(19) 0.0822(8) Uani 1 1 d . . O5 O -0.1466(4) 0.37237(11) 0.43074(17) 0.0697(7) Uani 1 1 d . . O6 O 0.0426(3) 0.46470(9) 0.79592(16) 0.0532(5) Uani 1 1 d . . O7 O -0.2193(3) 0.40127(9) 0.71548(16) 0.0481(5) Uani 1 1 d . . C1 C 0.4472(4) 0.29600(12) 0.80233(19) 0.0355(6) Uani 1 1 d . . C2 C 0.3120(4) 0.34258(12) 0.83587(18) 0.0322(6) Uani 1 1 d . . C3 C 0.1259(4) 0.35487(12) 0.76102(18) 0.0330(6) Uani 1 1 d . . C4 C 0.1207(4) 0.31633(12) 0.67658(19) 0.0368(6) Uani 1 1 d . . C5 C 0.5433(4) 0.40958(12) 0.9616(2) 0.0385(6) Uani 1 1 d . . H5A H 0.5133 0.4543 0.9422 0.046 Uiso 1 1 calc R U H5B H 0.6626 0.3944 0.9271 0.046 Uiso 1 1 calc R U C6 C 0.6085(5) 0.40543(14) 1.0741(2) 0.0462(7) Uani 1 1 d . . H6A H 0.6565 0.3617 1.0920 0.055 Uiso 1 1 calc R U H6B H 0.7306 0.4344 1.0939 0.055 Uiso 1 1 calc R U C7 C 0.2470(5) 0.38262(17) 1.0981(2) 0.0530(8) Uani 1 1 d . . H7A H 0.1299 0.3949 1.1361 0.064 Uiso 1 1 calc R U H7B H 0.2842 0.3377 1.1136 0.064 Uiso 1 1 calc R U C8 C 0.1687(4) 0.38918(16) 0.9859(2) 0.0487(7) Uani 1 1 d . . H8A H 0.0433 0.3613 0.9666 0.058 Uiso 1 1 calc R U H8B H 0.1258 0.4336 0.9697 0.058 Uiso 1 1 calc R U C9 C 0.6440(4) 0.26656(12) 0.8566(2) 0.0374(6) Uani 1 1 d . . C10 C 0.9210(5) 0.18877(17) 0.8464(3) 0.0616(9) Uani 1 1 d . . H10A H 1.0336 0.2205 0.8641 0.092 Uiso 1 1 calc R U H10B H 0.9687 0.1582 0.7996 0.092 Uiso 1 1 calc R U H10C H 0.8917 0.1665 0.9064 0.092 Uiso 1 1 calc R U C11 C -0.0363(4) 0.31598(13) 0.58056(19) 0.0394(6) Uani 1 1 d . . H11A H -0.1848 0.3163 0.5971 0.047 Uiso 1 1 calc R U H11B H -0.0169 0.2764 0.5435 0.047 Uiso 1 1 calc R U C12 C -0.0048(5) 0.37342(14) 0.5138(2) 0.0440(7) Uani 1 1 d . . C13 C -0.1303(7) 0.4243(2) 0.3584(3) 0.0882(14) Uani 1 1 d . . H13A H -0.1422 0.4653 0.3911 0.132 Uiso 1 1 calc R U H13B H -0.2463 0.4202 0.3029 0.132 Uiso 1 1 calc R U H13C H 0.0083 0.4217 0.3333 0.132 Uiso 1 1 calc R U C14 C -0.0179(4) 0.41279(13) 0.76161(19) 0.0374(6) Uani 1 1 d . . C15 C -0.3651(5) 0.45629(16) 0.6970(3) 0.0592(8) Uani 1 1 d . . H15A H -0.3702 0.4793 0.7593 0.089 Uiso 1 1 calc R U H15B H -0.5092 0.4414 0.6710 0.089 Uiso 1 1 calc R U H15C H -0.3124 0.4846 0.6485 0.089 Uiso 1 1 calc R U loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 S1 0.0431(4) 0.0456(4) 0.0348(4) -0.0077(3) 0.0001(3) 0.0053(3) N1 0.0331(11) 0.0496(13) 0.0322(12) -0.0103(10) 0.0031(9) -0.0028(10) O1 0.0559(12) 0.0571(12) 0.0374(11) -0.0104(9) 0.0021(9) 0.0019(10) O2 0.0500(12) 0.0498(11) 0.0403(11) -0.0042(9) -0.0059(9) 0.0074(9) O3 0.0504(12) 0.0668(14) 0.0470(12) -0.0137(10) -0.0045(9) 0.0244(10) O4 0.0864(18) 0.0758(16) 0.0728(17) 0.0226(13) -0.0312(14) -0.0376(15) O5 0.0769(16) 0.0713(15) 0.0511(13) 0.0209(11) -0.0271(11) -0.0288(13) O6 0.0585(13) 0.0365(11) 0.0603(13) -0.0062(9) -0.0078(10) 0.0018(9) O7 0.0343(10) 0.0478(11) 0.0597(12) -0.0051(9) -0.0032(9) 0.0044(9) C1 0.0333(13) 0.0406(14) 0.0317(13) -0.0011(11) 0.0011(10) -0.0008(11) C2 0.0333(13) 0.0343(13) 0.0285(12) -0.0009(10) 0.0026(10) -0.0036(11) C3 0.0334(13) 0.0345(13) 0.0305(13) -0.0006(10) 0.0023(10) 0.0004(10) C4 0.0376(14) 0.0369(14) 0.0353(14) -0.0004(11) 0.0026(11) -0.0008(11) C5 0.0392(14) 0.0337(13) 0.0418(15) -0.0039(11) 0.0029(11) -0.0021(11) C6 0.0428(16) 0.0505(16) 0.0427(16) -0.0074(13) -0.0034(13) -0.0006(13) C7 0.0538(18) 0.070(2) 0.0372(16) -0.0067(14) 0.0121(14) -0.0037(16) C8 0.0369(15) 0.068(2) 0.0418(16) -0.0115(14) 0.0083(12) 0.0011(14) C9 0.0372(14) 0.0378(14) 0.0370(15) -0.0001(11) 0.0043(11) 0.0021(11) C10 0.0539(19) 0.068(2) 0.060(2) -0.0029(17) -0.0013(16) 0.0272(16) C11 0.0389(14) 0.0418(14) 0.0359(14) -0.0065(11) -0.0004(11) -0.0028(12) C12 0.0421(15) 0.0479(16) 0.0390(15) -0.0019(12) -0.0050(12) -0.0053(13) C13 0.103(3) 0.084(3) 0.067(2) 0.037(2) -0.028(2) -0.031(2) C14 0.0362(14) 0.0431(15) 0.0328(13) 0.0028(12) 0.0040(11) 0.0005(12) C15 0.0434(17) 0.062(2) 0.069(2) 0.0031(16) -0.0034(15) 0.0162(15) loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle C4 S1 C1 92.25(12) C2 N1 C5 120.8(2) C2 N1 C8 121.4(2) C5 N1 C8 111.6(2) C7 O1 C6 110.9(2) C9 O3 C10 115.4(2) C12 O5 C13 116.6(3) C14 O7 C15 117.2(2) C2 C1 C9 128.8(2) C2 C1 S1 111.97(18) C9 C1 S1 119.11(19) N1 C2 C1 123.3(2) N1 C2 C3 125.6(2) C1 C2 C3 111.0(2) C4 C3 C2 113.1(2) C4 C3 C14 121.4(2) C2 C3 C14 123.9(2) C3 C4 C11 130.0(2) C3 C4 S1 111.56(19) C11 C4 S1 118.12(19) N1 C5 C6 110.0(2) N1 C5 H5A 109.7 C6 C5 H5A 109.7 N1 C5 H5B 109.7 C6 C5 H5B 109.7 H5A C5 H5B 108.2 O1 C6 C5 111.8(2) O1 C6 H6A 109.2 C5 C6 H6A 109.2 O1 C6 H6B 109.2 C5 C6 H6B 109.2 H6A C6 H6B 107.9 O1 C7 C8 111.5(2) O1 C7 H7A 109.3 C8 C7 H7A 109.3 O1 C7 H7B 109.3 C8 C7 H7B 109.3 H7A C7 H7B 108.0 N1 C8 C7 107.6(2) N1 C8 H8A 110.2 C7 C8 H8A 110.2 N1 C8 H8B 110.2 C7 C8 H8B 110.2 H8A C8 H8B 108.5 O2 C9 O3 122.5(2) O2 C9 C1 126.4(2) O3 C9 C1 111.0(2) O3 C10 H10A 109.5 O3 C10 H10B 109.5 H10A C10 H10B 109.5 O3 C10 H10C 109.5 H10A C10 H10C 109.5 H10B C10 H10C 109.5 C4 C11 C12 112.3(2) C4 C11 H11A 109.1 C12 C11 H11A 109.1 C4 C11 H11B 109.1 C12 C11 H11B 109.1 H11A C11 H11B 107.9 O4 C12 O5 123.4(3) O4 C12 C11 125.6(3) O5 C12 C11 111.0(2) O5 C13 H13A 109.5 O5 C13 H13B 109.5 H13A C13 H13B 109.5 O5 C13 H13C 109.5 H13A C13 H13C 109.5 H13B C13 H13C 109.5 O6 C14 O7 123.8(2) O6 C14 C3 124.2(2) O7 C14 C3 111.9(2) O7 C15 H15A 109.5 O7 C15 H15B 109.5 H15A C15 H15B 109.5 O7 C15 H15C 109.5 H15A C15 H15C 109.5 H15B C15 H15C 109.5 loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance S1 C4 1.710(3) S1 C1 1.722(3) N1 C2 1.386(3) N1 C5 1.455(3) N1 C8 1.462(3) O1 C7 1.418(4) O1 C6 1.425(3) O2 C9 1.203(3) O3 C9 1.349(3) O3 C10 1.444(3) O4 C12 1.189(3) O5 C12 1.314(3) O5 C13 1.454(4) O6 C14 1.204(3) O7 C14 1.330(3) O7 C15 1.449(3) C1 C2 1.386(4) C1 C9 1.458(4) C2 C3 1.437(3) C3 C4 1.374(3) C3 C14 1.489(4) C4 C11 1.496(3) C5 C6 1.500(4) C5 H5A 0.9700 C5 H5B 0.9700 C6 H6A 0.9700 C6 H6B 0.9700 C7 C8 1.513(4) C7 H7A 0.9700 C7 H7B 0.9700 C8 H8A 0.9700 C8 H8B 0.9700 C10 H10A 0.9600 C10 H10B 0.9600 C10 H10C 0.9600 C11 C12 1.510(4) C11 H11A 0.9700 C11 H11B 0.9700 C13 H13A 0.9600 C13 H13B 0.9600 C13 H13C 0.9600 C15 H15A 0.9600 C15 H15B 0.9600 C15 H15C 0.9600 loop_ _geom_hbond_atom_site_label_D _geom_hbond_atom_site_label_H _geom_hbond_atom_site_label_A _geom_hbond_distance_DH _geom_hbond_distance_HA _geom_hbond_distance_DA _geom_hbond_angle_DHA _geom_hbond_site_symmetry_A C15 H15A O1 0.96 2.58 3.484(4) 156.1 3_567 C11 H11B O2 0.97 2.46 3.288(3) 143.7 4_565 C8 H8B O6 0.97 2.39 2.983(4) 119.1 . C8 H8A O2 0.97 2.56 3.525(4) 171.5 1_455 C5 H5B O2 0.97 2.41 2.942(3) 114.3 . C15 H15A O1 0.96 2.58 3.484(4) 156.1 3_567 C11 H11B O2 0.97 2.46 3.288(3) 143.7 4_565 C8 H8B O6 0.97 2.39 2.983(4) 119.1 . C8 H8A O2 0.97 2.56 3.525(4) 171.5 1_455 C5 H5B O2 0.97 2.41 2.942(3) 114.3 . C5 H5B O2 0.97 2.41 2.942(3) 114.3 . C8 H8A O2 0.97 2.56 3.525(4) 171.5 1_455 C8 H8B O6 0.97 2.39 2.983(4) 119.1 . C11 H11B O2 0.97 2.46 3.288(3) 143.7 4_565 C15 H15A O1 0.96 2.58 3.484(4) 156.1 3_567 C5 H5B O2 0.97 2.41 2.942(3) 114.3 . C8 H8A O2 0.97 2.56 3.525(4) 171.5 1_455 C8 H8B O6 0.97 2.39 2.983(4) 119.1 . C11 H11B O2 0.97 2.46 3.288(3) 143.7 4_565 C15 H15A O1 0.96 2.58 3.484(4) 156.1 3_567 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 C4 S1 C1 C2 -1.3(2) C4 S1 C1 C9 174.5(2) C5 N1 C2 C1 64.0(3) C8 N1 C2 C1 -145.9(3) C5 N1 C2 C3 -119.5(3) C8 N1 C2 C3 30.5(4) C9 C1 C2 N1 1.2(4) S1 C1 C2 N1 176.55(19) C9 C1 C2 C3 -175.7(2) S1 C1 C2 C3 -0.4(3) N1 C2 C3 C4 -174.4(2) C1 C2 C3 C4 2.4(3) N1 C2 C3 C14 19.5(4) C1 C2 C3 C14 -163.7(2) C2 C3 C4 C11 -176.6(3) C14 C3 C4 C11 -10.1(4) C2 C3 C4 S1 -3.4(3) C14 C3 C4 S1 163.1(2) C1 S1 C4 C3 2.7(2) C1 S1 C4 C11 176.8(2) C2 N1 C5 C6 -151.1(2) C8 N1 C5 C6 56.1(3) C7 O1 C6 C5 56.4(3) N1 C5 C6 O1 -54.5(3) C6 O1 C7 C8 -59.1(3) C2 N1 C8 C7 149.8(3) C5 N1 C8 C7 -57.6(3) O1 C7 C8 N1 59.0(3) C10 O3 C9 O2 -1.3(4) C10 O3 C9 C1 179.4(2) C2 C1 C9 O2 -2.4(5) S1 C1 C9 O2 -177.5(2) C2 C1 C9 O3 176.9(3) S1 C1 C9 O3 1.8(3) C3 C4 C11 C12 73.0(4) S1 C4 C11 C12 -99.8(2) C13 O5 C12 O4 0.0(5) C13 O5 C12 C11 -178.5(3) C4 C11 C12 O4 2.4(4) C4 C11 C12 O5 -179.2(3) C15 O7 C14 O6 6.5(4) C15 O7 C14 C3 -170.7(2) C4 C3 C14 O6 -135.6(3) C2 C3 C14 O6 29.5(4) C4 C3 C14 O7 41.5(3) C2 C3 C14 O7 -153.4(2)