#------------------------------------------------------------------------------ #$Date: 2020-02-18 02:53:14 +0200 (Tue, 18 Feb 2020) $ #$Revision: 248246 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/55/73/1557328.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_1557328 loop_ _publ_author_name 'Benedetti, Fran\,coise' 'Perrin, Marc-Antoine' 'Bosc, Sebastien' 'Chouteau, Franck' 'Champion, Nicolas' 'Bigot, Antony' _publ_section_title ; Total Synthesis of (+)-Oxo-tomaymycin ; _journal_name_full 'Organic Process Research & Development' _journal_paper_doi 10.1021/acs.oprd.0c00009 _journal_year 2020 _chemical_absolute_configuration S _chemical_formula_sum 'C15 H16 N2 O4' _chemical_formula_weight 288.30 _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 mixed _audit_creation_method SHELXL-2018/3 _cell_angle_alpha 90 _cell_angle_beta 105.7610(10) _cell_angle_gamma 90 _cell_formula_units_Z 2 _cell_length_a 6.9821(2) _cell_length_b 8.6527(3) _cell_length_c 11.9259(3) _cell_measurement_reflns_used 9947 _cell_measurement_temperature 302(2) _cell_measurement_theta_max 30.483 _cell_measurement_theta_min 2.948 _cell_volume 693.40(4) _computing_cell_refinement 'Bruker AXS Apex3 suite' _computing_data_collection 'Bruker AXS Apex3 suite' _computing_data_reduction 'SAINT plus v8.38A' _computing_structure_refinement 'SHELXL-2018/3 (Sheldrick, 2018)' _computing_structure_solution 'SHELXT 2014/5 (Sheldrick, 2014)' _diffrn_ambient_temperature 302(2) _diffrn_measured_fraction_theta_full 0.997 _diffrn_measured_fraction_theta_max 0.997 _diffrn_measurement_device_type 'Bruker D8 Venture' _diffrn_measurement_method 'omega scan' _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0277 _diffrn_reflns_av_unetI/netI 0.0250 _diffrn_reflns_Laue_measured_fraction_full 0.997 _diffrn_reflns_Laue_measured_fraction_max 0.997 _diffrn_reflns_limit_h_max 9 _diffrn_reflns_limit_h_min -9 _diffrn_reflns_limit_k_max 12 _diffrn_reflns_limit_k_min -12 _diffrn_reflns_limit_l_max 17 _diffrn_reflns_limit_l_min -17 _diffrn_reflns_number 27529 _diffrn_reflns_point_group_measured_fraction_full 0.995 _diffrn_reflns_point_group_measured_fraction_max 0.992 _diffrn_reflns_theta_full 25.242 _diffrn_reflns_theta_max 30.512 _diffrn_reflns_theta_min 2.948 _diffrn_source 'micro-focus source' _exptl_absorpt_coefficient_mu 0.101 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details SADABS-2016/2 _exptl_crystal_colour colourless _exptl_crystal_density_diffrn 1.381 _exptl_crystal_description plate-like _exptl_crystal_F_000 304 _exptl_crystal_size_max 0.15 _exptl_crystal_size_mid 0.1 _exptl_crystal_size_min 0.04 _exptl_transmission_factor_max 0.7461 _exptl_transmission_factor_min 0.7192 _refine_diff_density_max 0.249 _refine_diff_density_min -0.154 _refine_diff_density_rms 0.040 _refine_ls_abs_structure_details ; Flack x determined using 1747 quotients [(I+)-(I-)]/[(I+)+(I-)] (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259). ; _refine_ls_abs_structure_Flack -0.01(19) _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.061 _refine_ls_hydrogen_treatment mixed _refine_ls_matrix_type full _refine_ls_number_parameters 200 _refine_ls_number_reflns 4184 _refine_ls_number_restraints 1 _refine_ls_restrained_S_all 1.061 _refine_ls_R_factor_all 0.0372 _refine_ls_R_factor_gt 0.0349 _refine_ls_shift/su_max 0.001 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0719P)^2^+0.0358P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.1016 _refine_ls_wR_factor_ref 0.1044 _reflns_Friedel_coverage 0.878 _reflns_Friedel_fraction_full 0.993 _reflns_Friedel_fraction_max 0.987 _reflns_number_gt 3960 _reflns_number_total 4184 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file op0c00009_si_002.cif _cod_data_source_block xsc0123_0m_a _cod_original_sg_symbol_H-M 'P 21' _cod_database_code 1557328 _shelx_shelxl_version_number 2018/3 _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_res_file ; TITL xsc0123_0m_a.res in P2(1) xsc0123_0m_a.res created by SHELXL-2018/3 at 11:23:27 on 20-Mar-2019 CELL 0.71073 6.9821 8.6527 11.9259 90.000 105.761 90.000 ZERR 2.000 0.0002 0.0003 0.0003 0.000 0.001 0.000 LATT -1 SYMM -X, 1/2+Y, -Z SFAC C H N O UNIT 30 32 4 8 ACTA TEMP 29.500 L.S. 10 BOND $H LIST 6 OMIT -2 -1 2 OMIT 0 6 3 OMIT 0 -6 3 FMAP 2 PLAN 20 WGHT 0.071900 0.035800 FVAR 1.01886 O001 4 0.872530 0.668808 0.246998 11.00000 0.02877 0.05513 = 0.02873 0.00452 0.00876 -0.00816 O2 4 0.495292 0.319743 -0.073369 11.00000 0.03895 0.05757 = 0.03834 -0.01597 0.01883 -0.00993 O003 4 0.142191 0.270135 -0.028171 11.00000 0.03296 0.06503 = 0.03689 -0.01662 0.01281 -0.01148 H3 2 0.169979 0.240403 -0.093397 11.00000 0.09162 N004 3 0.319656 0.568314 0.316728 11.00000 0.02507 0.05456 = 0.03379 -0.00741 0.01109 0.00088 H4 2 0.199837 0.596354 0.298828 11.00000 0.05338 O005 4 0.346841 0.656036 0.498095 11.00000 0.04805 0.09371 = 0.04388 -0.02332 0.01835 0.00594 N6 3 0.748529 0.627086 0.400345 11.00000 0.03063 0.05041 = 0.02608 0.00025 0.00856 -0.00903 C007 1 0.473510 0.376277 0.029155 11.00000 0.02897 0.03968 = 0.03034 -0.00234 0.01151 0.00043 C008 1 0.388322 0.496082 0.228085 11.00000 0.02737 0.03999 = 0.02806 -0.00179 0.01011 0.00065 C009 1 0.579595 0.515027 0.213003 11.00000 0.02464 0.03723 = 0.02719 0.00013 0.00748 0.00008 C00A 1 0.285243 0.350734 0.047890 11.00000 0.02852 0.04186 = 0.03131 -0.00383 0.00918 -0.00250 C00B 1 0.421746 0.590918 0.429502 11.00000 0.03320 0.04752 = 0.03351 -0.00567 0.01461 -0.00446 C00C 1 0.616753 0.454040 0.111739 11.00000 0.02550 0.04149 = 0.03085 -0.00115 0.01052 -0.00033 AFIX 43 H00C 2 0.742332 0.466716 0.100246 11.00000 -1.20000 AFIX 0 C00D 1 0.742911 0.609111 0.287797 11.00000 0.02462 0.04017 = 0.02623 0.00319 0.00779 0.00019 C00E 1 0.245590 0.411992 0.146247 11.00000 0.02551 0.05188 = 0.03325 -0.00584 0.01144 -0.00542 AFIX 43 H00E 2 0.120732 0.396796 0.158175 11.00000 -1.20000 AFIX 0 C00F 1 0.915741 0.655150 0.596663 11.00000 0.03695 0.04469 = 0.02820 -0.00295 0.00911 0.00068 C00G 1 0.634587 0.531895 0.461647 11.00000 0.03174 0.04790 = 0.02803 0.00259 0.01127 -0.00573 AFIX 13 H00G 2 0.637069 0.423458 0.438359 11.00000 -1.20000 AFIX 0 C00H 1 0.741341 0.549794 0.591194 11.00000 0.04261 0.07580 = 0.02695 0.00629 0.00881 -0.01162 AFIX 23 H00A 2 0.653066 0.594924 0.632559 11.00000 -1.20000 H00B 2 0.786694 0.450232 0.625689 11.00000 -1.20000 AFIX 0 C00I 1 1.074710 0.671432 0.686554 11.00000 0.04595 0.05634 = 0.03405 -0.00290 0.00208 -0.00811 AFIX 43 H00I 2 1.174391 0.737819 0.677776 11.00000 -1.20000 AFIX 0 C00J 1 0.889264 0.730545 0.479715 11.00000 0.03916 0.04637 = 0.02968 -0.00227 0.00780 -0.00921 AFIX 23 H00D 2 0.834694 0.833806 0.478593 11.00000 -1.20000 H00F 2 1.014539 0.736237 0.459436 11.00000 -1.20000 AFIX 0 C00K 1 0.654508 0.376912 -0.113031 11.00000 0.05970 0.08345 = 0.05296 -0.02287 0.03577 -0.02383 AFIX 137 H00H 2 0.634168 0.349813 -0.193479 11.00000 -1.50000 H00J 2 0.777073 0.332499 -0.067611 11.00000 -1.50000 H00K 2 0.660636 0.487330 -0.104995 11.00000 -1.50000 AFIX 0 C00L 1 1.105768 0.591161 0.800886 11.00000 0.06784 0.07014 = 0.03639 0.00473 -0.00350 -0.00163 AFIX 137 H00L 2 1.029064 0.497582 0.790154 11.00000 -1.50000 H00M 2 1.063945 0.657470 0.854317 11.00000 -1.50000 H00N 2 1.244269 0.566805 0.831719 11.00000 -1.50000 REM ##### AFIX 0 HKLF 4 REM xsc0123_0m_a.res in P2(1) REM wR2 = 0.104383, GooF = S = 1.06065, Restrained GooF = 1.06052 for all data REM R1 = 0.034896 for 3960 Fo > 4sig(Fo) and 0.037194 for all 4184 data REM 200 parameters refined using 1 restraints END WGHT 0.0719 0.0358 REM Highest difference peak 0.249, deepest hole -0.154, 1-sigma level 0.040 Q1 1 0.4947 0.5112 0.2235 11.00000 0.05 0.25 Q2 1 0.5218 0.5562 0.4439 11.00000 0.05 0.24 Q3 1 0.5258 0.4346 0.0641 11.00000 0.05 0.22 Q4 1 0.3804 0.3648 0.0438 11.00000 0.05 0.22 Q5 1 0.9710 0.6864 0.6536 11.00000 0.05 0.22 Q6 1 0.2658 0.3818 0.1015 11.00000 0.05 0.19 Q7 1 0.6453 0.5591 0.2444 11.00000 0.05 0.18 Q8 1 0.5930 0.4867 0.1586 11.00000 0.05 0.18 Q9 1 0.9167 0.6938 0.5441 11.00000 0.05 0.18 Q10 1 0.9635 0.5967 0.8139 11.00000 0.05 0.18 Q11 1 0.8387 0.6668 0.4399 11.00000 0.05 0.16 Q12 1 0.8326 0.5979 0.5876 11.00000 0.05 0.16 Q13 1 0.8184 0.6468 0.2549 11.00000 0.05 0.16 Q14 1 0.7564 0.6178 0.3507 11.00000 0.05 0.15 Q15 1 0.9396 0.6591 0.2803 11.00000 0.05 0.15 Q16 1 0.6726 0.3340 -0.1671 11.00000 0.05 0.13 Q17 1 1.1644 0.4884 0.7641 11.00000 0.05 0.13 Q18 1 0.4659 0.3530 -0.0335 11.00000 0.05 0.13 Q19 1 1.0815 0.6371 0.7449 11.00000 0.05 0.13 Q20 1 0.8393 0.6554 0.1830 11.00000 0.05 0.13 ; _shelx_res_checksum 72240 _shelx_hkl_file ; 1 0 0 911.91 39.70 -1 0 0 892.41 39.60 -2 0 0 466.35 36.40 2 0 0 502.15 37.10 -3 0 0 11.80 0.60 3 0 0 12.40 0.70 -3 0 0 12.10 0.60 3 0 0 12.00 0.70 -3 0 0 12.10 0.70 -3 0 0 13.20 0.80 3 0 0 12.20 0.60 -4 0 0 277.47 6.80 4 0 0 277.87 6.90 -4 0 0 262.97 7.00 -4 0 0 275.27 6.90 4 0 0 270.27 6.90 -4 0 0 270.37 6.90 4 0 0 258.47 6.80 -4 0 0 268.27 6.80 5 0 0 196.98 5.30 -5 0 0 186.98 5.10 5 0 0 196.08 5.30 -5 0 0 196.78 5.40 -5 0 0 194.58 5.00 -5 0 0 190.08 5.20 -5 0 0 198.98 5.30 5 0 0 177.38 5.10 6 0 0 64.19 2.40 6 0 0 65.09 2.30 -6 0 0 62.09 2.50 6 0 0 66.89 2.40 -6 0 0 60.09 2.30 -6 0 0 61.59 2.20 -6 0 0 67.59 2.40 -6 0 0 65.09 2.10 -7 0 0 0.60 0.60 7 0 0 0.60 0.60 -7 0 0 0.20 0.50 -7 0 0 0.50 0.40 7 0 0 0.20 0.50 -7 0 0 -0.20 0.50 -7 0 0 0.10 0.50 7 0 0 0.30 0.60 8 0 0 106.89 3.70 -8 0 0 102.39 3.20 -8 0 0 96.49 3.40 8 0 0 97.29 3.60 -8 0 0 97.09 3.80 8 0 0 104.09 3.50 -8 0 0 99.99 3.60 -8 0 0 94.19 3.60 -9 0 0 2.30 0.90 -9 0 0 2.80 0.80 9 0 0 3.00 1.00 -9 0 0 1.80 0.50 9 0 0 5.00 1.00 0 -1 0 0.20 0.10 0 -1 0 0.00 0.10 0 -1 0 0.20 0.10 0 1 0 0.30 0.10 0 1 0 0.00 0.10 0 1 0 0.40 0.10 0 1 0 0.30 0.10 2 -1 0 1699.43 80.19 -2 -1 0 1545.95 74.89 2 1 0 1788.52 81.09 3 -1 0 64.29 1.90 -3 -1 0 68.59 1.80 -3 -1 0 63.09 2.00 -3 -1 0 62.89 1.90 -3 -1 0 67.39 2.00 -3 -1 0 68.69 2.00 3 -1 0 59.09 1.90 3 -1 0 61.49 1.90 3 1 0 63.39 1.90 3 1 0 67.29 2.00 -3 1 0 66.29 1.90 -3 1 0 65.89 1.90 -3 1 0 62.09 1.90 3 1 0 62.39 1.90 -3 1 0 61.19 2.00 -3 1 0 67.59 1.90 3 1 0 63.49 1.80 -4 -1 0 46.30 1.70 4 -1 0 47.80 1.70 -4 -1 0 47.90 1.70 -4 -1 0 48.40 1.50 4 -1 0 48.70 1.60 -4 -1 0 50.59 1.80 4 -1 0 44.90 1.60 -4 -1 0 46.50 1.60 -4 1 0 49.80 1.70 -4 1 0 49.00 1.60 4 1 0 48.30 1.70 -4 1 0 49.00 1.60 4 1 0 48.30 1.50 -4 1 0 48.20 1.80 4 1 0 48.30 1.80 -4 1 0 48.80 1.60 4 1 0 45.30 1.60 -5 -1 0 32.20 1.50 -5 -1 0 33.50 1.50 5 -1 0 30.70 1.40 5 -1 0 32.70 1.40 -5 -1 0 31.60 1.50 -5 -1 0 31.20 1.30 5 -1 0 30.90 1.30 -5 -1 0 32.20 1.20 -5 1 0 30.20 1.50 -5 1 0 32.80 1.30 5 1 0 31.30 1.30 -5 1 0 34.60 1.40 -5 1 0 31.30 1.30 5 1 0 30.70 1.50 -5 1 0 30.40 1.40 5 1 0 31.80 1.40 -6 -1 0 179.08 4.90 6 -1 0 177.78 5.10 6 -1 0 174.78 4.90 -6 -1 0 175.18 4.70 -6 -1 0 180.18 5.20 6 -1 0 180.68 5.00 -6 -1 0 181.68 5.10 -6 -1 0 175.68 5.10 -6 1 0 177.88 4.80 6 1 0 175.18 5.00 -6 1 0 158.18 4.90 6 1 0 173.48 4.90 -6 1 0 173.98 5.00 -6 1 0 170.48 4.90 -6 1 0 176.28 5.20 6 1 0 165.78 5.10 -7 -1 0 92.59 2.80 -7 -1 0 91.19 3.30 -7 -1 0 91.39 3.10 7 -1 0 89.19 3.00 -7 -1 0 90.29 3.30 7 -1 0 88.09 3.10 7 -1 0 88.59 3.20 -7 -1 0 87.69 3.20 7 1 0 87.49 3.00 -7 1 0 89.99 3.00 7 1 0 90.49 3.20 -7 1 0 93.69 2.90 7 1 0 90.19 3.30 -7 1 0 95.49 3.50 -7 1 0 92.49 3.20 -7 1 0 88.79 3.10 -8 -1 0 4.50 0.80 8 -1 0 5.70 1.00 -8 -1 0 6.60 1.10 -8 -1 0 7.80 0.80 8 -1 0 5.70 0.90 -8 -1 0 8.30 1.20 8 -1 0 4.50 0.80 -8 -1 0 7.00 1.10 8 1 0 7.20 1.10 -8 1 0 4.80 0.90 8 1 0 7.20 1.00 -8 1 0 6.50 1.00 -8 1 0 4.00 0.80 8 1 0 6.20 1.10 -8 1 0 8.60 0.90 -8 1 0 5.70 1.10 -9 -1 0 28.60 2.00 -9 -1 0 26.60 1.50 9 -1 0 29.40 2.10 9 -1 0 31.00 1.90 -9 -1 0 33.30 2.10 9 -1 0 26.60 1.80 9 1 0 30.60 2.10 -9 1 0 32.40 2.00 -9 1 0 33.10 2.00 9 1 0 26.20 1.80 9 1 0 24.30 1.90 -9 1 0 28.20 1.60 0 2 0 1914.71 75.09 -1 2 0 3583.94 122.69 1 2 0 3601.24 125.09 2 -2 0 335.37 8.80 -2 -2 0 362.26 8.70 2 -2 0 355.46 8.80 -2 -2 0 366.26 8.90 -2 -2 0 364.56 8.80 -2 -2 0 364.26 8.70 2 2 0 374.66 8.70 2 2 0 361.06 8.70 2 2 0 366.26 8.90 2 2 0 346.87 8.80 2 2 0 367.56 8.90 -2 2 0 365.36 8.70 -3 -2 0 612.34 14.60 -4 -2 0 197.68 5.30 -4 -2 0 201.48 5.30 4 -2 0 200.18 5.20 4 -2 0 200.68 5.30 -4 -2 0 198.88 5.10 -4 -2 0 196.38 5.20 4 -2 0 201.08 5.20 4 -2 0 213.08 5.40 -4 -2 0 204.08 5.40 4 2 0 197.88 5.30 4 2 0 200.68 5.10 -4 2 0 206.08 5.20 -4 2 0 198.78 5.30 4 2 0 197.88 5.20 4 2 0 201.98 5.40 -4 2 0 204.68 5.50 -4 2 0 204.48 5.30 -4 2 0 193.68 5.20 -5 -2 0 243.58 6.40 5 -2 0 238.48 6.20 5 -2 0 235.68 6.30 -5 -2 0 240.78 6.50 -5 -2 0 246.28 6.40 5 -2 0 236.88 6.40 -5 -2 0 240.38 6.10 5 -2 0 213.98 6.20 -5 -2 0 236.48 6.20 -5 2 0 242.68 6.30 5 2 0 233.58 6.50 5 2 0 233.48 6.30 5 2 0 238.38 6.00 -5 2 0 241.28 6.20 -5 2 0 239.98 6.20 -5 2 0 232.48 6.30 -5 2 0 233.38 6.50 5 2 0 243.48 6.20 -6 -2 0 150.88 4.50 6 -2 0 147.29 4.30 6 -2 0 142.89 4.20 -6 -2 0 145.09 4.40 -6 -2 0 141.89 4.30 -6 -2 0 146.99 4.50 -6 -2 0 149.69 4.10 6 -2 0 149.69 4.50 6 -2 0 147.89 4.30 -6 2 0 144.59 4.20 -6 2 0 150.78 4.70 6 2 0 150.28 4.40 -6 2 0 153.28 4.30 6 2 0 145.79 4.40 6 2 0 149.39 4.30 -6 2 0 147.19 4.30 6 2 0 148.99 4.60 -6 2 0 152.18 4.40 7 -2 0 4.00 0.70 -7 -2 0 4.10 0.80 -7 -2 0 5.90 0.90 7 -2 0 4.20 0.80 7 -2 0 4.10 0.70 -7 -2 0 4.80 0.60 -7 -2 0 3.00 0.70 -7 -2 0 4.70 0.90 7 -2 0 4.50 0.90 7 2 0 3.30 0.70 -7 2 0 4.40 0.80 7 2 0 5.00 0.80 -7 2 0 3.70 0.60 -7 2 0 3.50 0.80 -7 2 0 3.00 0.60 -7 2 0 4.60 0.70 7 2 0 4.80 0.90 7 2 0 5.00 0.90 8 -2 0 1.00 0.60 -8 -2 0 1.20 0.50 8 -2 0 0.50 0.60 -8 -2 0 1.40 0.70 -8 -2 0 0.20 0.50 -8 -2 0 0.70 0.70 -8 -2 0 1.40 0.60 8 -2 0 0.80 0.50 8 -2 0 0.90 0.60 -8 2 0 1.50 0.50 8 2 0 1.70 0.70 -8 2 0 0.90 0.70 -8 2 0 1.20 0.70 -8 2 0 1.20 0.60 8 2 0 1.20 0.60 8 2 0 1.40 0.60 8 2 0 0.90 0.60 -8 2 0 2.10 0.60 -9 -2 0 11.80 1.50 9 -2 0 11.30 1.30 9 -2 0 10.60 1.30 -9 -2 0 10.10 1.00 9 -2 0 10.40 1.20 -9 -2 0 10.20 1.30 -9 2 0 9.80 1.20 -9 2 0 12.50 1.40 9 2 0 10.80 1.40 9 2 0 7.60 1.10 -9 2 0 11.20 1.10 0 -3 0 0.00 0.30 0 -3 0 0.40 0.20 0 -3 0 0.50 0.20 0 3 0 0.10 0.20 0 3 0 0.30 0.20 0 3 0 -0.10 0.20 0 3 0 0.00 0.30 0 3 0 0.20 0.20 -1 -3 0 66.89 1.90 -1 -3 0 67.19 1.90 -1 -3 0 66.09 1.90 1 -3 0 66.39 1.70 1 -3 0 55.39 2.00 -1 -3 0 64.99 2.00 -1 3 0 67.89 1.90 1 3 0 69.29 1.90 1 3 0 64.29 1.90 1 3 0 67.99 1.90 -1 3 0 69.59 1.90 1 3 0 76.79 2.00 1 3 0 67.89 2.10 1 3 0 65.59 1.90 -1 3 0 68.69 2.00 -2 -3 0 485.65 11.60 2 -3 0 474.05 11.80 -2 -3 0 483.85 11.80 2 -3 0 486.05 11.80 -2 -3 0 492.35 11.70 -2 -3 0 481.65 11.80 2 3 0 469.25 11.70 2 3 0 477.05 11.90 2 3 0 501.05 11.90 2 3 0 496.15 11.70 -2 3 0 494.85 11.80 -2 3 0 494.85 11.70 2 3 0 482.25 11.80 -3 -3 0 660.83 16.10 -3 -3 0 646.04 15.90 -3 -3 0 646.24 15.90 -3 -3 0 678.63 16.10 3 -3 0 670.33 16.10 3 -3 0 655.23 16.10 -3 -3 0 662.13 15.90 3 3 0 715.63 15.80 3 3 0 639.74 16.00 3 3 0 666.93 15.90 -3 3 0 664.03 15.90 -3 3 0 664.53 16.20 3 3 0 675.23 16.20 3 3 0 641.44 16.10 -4 -3 0 6.70 0.70 -4 -3 0 8.00 0.60 -4 -3 0 7.60 0.80 -4 -3 0 7.40 0.70 4 -3 0 7.00 0.70 4 -3 0 7.10 0.70 4 -3 0 7.40 0.70 -4 -3 0 7.40 0.60 4 -3 0 7.30 0.50 4 3 0 7.20 0.50 -4 3 0 8.00 0.80 -4 3 0 6.90 0.50 4 3 0 7.90 0.70 4 3 0 8.00 0.80 4 3 0 8.10 0.70 4 3 0 7.70 0.80 -4 3 0 8.50 0.70 -4 3 0 8.00 0.70 -5 -3 0 323.47 8.50 -5 -3 0 317.97 8.00 -5 -3 0 308.57 8.30 -5 -3 0 319.47 8.20 -5 -3 0 316.97 8.20 5 -3 0 318.67 8.00 5 -3 0 328.17 8.30 5 -3 0 324.27 8.40 5 -3 0 325.77 8.20 5 3 0 312.67 7.90 5 3 0 319.97 8.40 5 3 0 314.67 8.50 -5 3 0 319.67 8.30 -5 3 0 315.97 8.50 5 3 0 326.17 8.30 -5 3 0 318.97 8.00 -5 3 0 317.97 8.30 -5 3 0 318.57 8.10 5 3 0 315.27 8.10 -6 -3 0 5.30 0.90 6 -3 0 4.90 0.80 6 -3 0 5.00 0.70 6 -3 0 6.10 0.80 -6 -3 0 6.30 0.80 6 -3 0 6.40 0.70 -6 -3 0 5.30 0.80 -6 -3 0 6.70 0.70 -6 -3 0 4.40 0.70 6 3 0 3.90 0.70 -6 3 0 5.60 0.70 6 3 0 5.70 0.90 -6 3 0 4.50 0.60 6 3 0 5.70 0.70 6 3 0 5.70 0.80 -6 3 0 5.50 0.80 6 3 0 6.10 0.60 -6 3 0 5.20 0.70 -6 3 0 5.50 0.90 7 -3 0 23.90 1.60 -7 -3 0 26.90 1.60 -7 -3 0 24.10 1.20 7 -3 0 20.50 1.40 7 -3 0 23.40 1.30 -7 -3 0 23.40 1.50 -7 -3 0 21.20 1.40 7 -3 0 22.70 1.40 -7 -3 0 24.20 1.60 -7 3 0 23.70 1.40 7 3 0 22.60 1.40 -7 3 0 24.50 1.70 -7 3 0 21.80 1.30 -7 3 0 22.10 1.50 7 3 0 24.30 1.50 7 3 0 23.20 1.60 7 3 0 21.90 1.50 -7 3 0 24.40 1.40 -8 -3 0 0.80 0.60 8 -3 0 0.30 0.60 -8 -3 0 1.40 0.70 -8 -3 0 1.50 0.80 8 -3 0 -0.10 0.60 8 -3 0 1.00 0.60 -8 -3 0 0.60 0.40 8 -3 0 0.90 0.50 -8 -3 0 1.40 0.80 -8 3 0 1.10 0.50 -8 3 0 1.20 0.80 8 3 0 0.90 0.70 -8 3 0 0.10 0.40 8 3 0 1.00 0.70 -8 3 0 0.40 0.50 8 3 0 1.00 0.60 -8 3 0 0.40 0.70 8 3 0 0.80 0.60 -9 -3 0 17.10 1.70 9 -3 0 13.80 1.70 9 -3 0 13.40 1.20 -9 -3 0 14.30 1.00 9 -3 0 12.80 1.30 -9 3 0 14.60 1.30 9 3 0 14.00 1.40 -9 3 0 12.20 1.20 -9 3 0 15.80 1.60 0 -4 0 624.74 15.30 0 -4 0 610.74 15.10 0 4 0 632.94 15.10 0 4 0 631.84 14.80 0 4 0 617.14 15.10 0 4 0 633.44 15.00 0 4 0 640.44 15.30 0 4 0 630.74 15.00 -1 -4 0 421.36 10.80 1 -4 0 434.16 10.80 -1 -4 0 423.16 10.60 1 -4 0 430.66 10.30 -1 -4 0 419.36 10.60 1 4 0 451.75 10.60 1 4 0 445.86 10.60 1 4 0 438.86 10.60 -1 4 0 451.65 10.60 -1 4 0 450.55 10.80 1 4 0 429.96 10.80 -1 4 0 448.66 10.50 1 4 0 413.26 10.50 -1 4 0 419.06 10.60 1 4 0 432.66 10.50 -2 -4 0 94.69 2.70 -2 -4 0 92.89 2.90 -2 -4 0 98.49 2.40 -2 -4 0 95.19 2.80 2 -4 0 97.29 2.90 2 -4 0 96.49 2.80 -2 -4 0 94.69 2.80 2 4 0 101.59 2.90 -2 4 0 95.89 2.80 2 4 0 98.69 2.70 2 4 0 96.29 2.80 -2 4 0 98.09 2.90 2 4 0 97.79 2.70 2 4 0 96.29 3.00 -2 4 0 98.59 2.80 -3 -4 0 11.60 0.90 3 -4 0 12.70 0.50 3 -4 0 11.90 0.80 -3 -4 0 12.90 0.60 -3 -4 0 12.30 0.80 -3 -4 0 13.10 0.80 3 -4 0 12.40 0.90 -3 4 0 12.90 0.80 3 4 0 12.40 0.90 -3 4 0 11.80 0.80 3 4 0 12.50 0.80 -3 4 0 12.50 0.90 3 4 0 12.80 1.00 3 4 0 12.50 0.70 3 4 0 11.80 0.80 4 -4 0 303.97 7.50 -4 -4 0 300.47 7.90 4 -4 0 300.67 7.90 -4 -4 0 301.47 7.80 -4 -4 0 311.97 8.10 4 -4 0 303.87 8.00 -4 -4 0 306.57 7.70 -4 -4 0 301.67 7.70 -4 4 0 313.57 8.10 4 4 0 315.87 7.80 4 4 0 305.47 7.60 4 4 0 305.57 8.10 -4 4 0 312.77 7.80 4 4 0 298.77 8.10 4 4 0 309.77 7.90 -4 4 0 314.67 7.90 5 -4 0 135.09 4.10 -5 -4 0 137.59 4.00 -5 -4 0 138.39 4.30 5 -4 0 133.29 3.60 5 -4 0 139.59 4.10 -5 -4 0 142.19 3.90 -5 -4 0 140.49 3.80 -5 -4 0 142.89 4.20 5 4 0 134.09 4.00 -5 4 0 134.99 3.90 -5 4 0 136.89 4.10 5 4 0 144.39 4.30 -5 4 0 136.19 4.30 -5 4 0 136.79 4.10 5 4 0 122.09 3.90 5 4 0 131.59 3.70 5 4 0 145.39 4.30 -6 -4 0 26.50 1.40 6 -4 0 25.70 1.20 -6 -4 0 23.40 1.60 -6 -4 0 25.30 1.50 6 -4 0 25.40 1.50 -6 -4 0 25.70 1.20 -6 -4 0 24.20 1.40 6 -4 0 26.40 1.50 -6 4 0 24.90 1.60 6 4 0 26.00 1.40 -6 4 0 25.50 1.30 6 4 0 25.40 1.60 -6 4 0 27.40 1.50 6 4 0 24.90 1.40 -6 4 0 25.50 1.40 6 4 0 25.30 1.10 6 4 0 26.20 1.70 7 -4 0 14.00 1.20 -7 -4 0 14.80 1.40 -7 -4 0 13.00 1.20 -7 -4 0 13.20 0.90 -7 -4 0 14.60 1.20 7 -4 0 12.90 1.40 7 -4 0 13.20 1.00 -7 -4 0 13.20 1.20 -7 4 0 16.60 1.50 -7 4 0 14.50 1.10 7 4 0 14.40 1.40 7 4 0 14.30 1.40 7 4 0 14.50 0.90 7 4 0 12.40 1.20 -7 4 0 16.80 1.20 -7 4 0 15.10 1.30 7 4 0 12.80 1.20 8 -4 0 3.90 1.00 -8 -4 0 3.70 0.60 8 -4 0 4.70 0.70 -8 -4 0 3.80 0.80 -8 -4 0 2.30 0.80 8 -4 0 5.20 0.90 -8 -4 0 6.50 1.00 -8 -4 0 4.00 1.00 -8 4 0 2.80 1.20 8 4 0 4.00 1.00 -8 4 0 3.70 0.70 -8 4 0 3.30 0.80 8 4 0 4.80 1.00 8 4 0 2.60 0.90 -9 -4 0 -0.60 0.60 9 -4 0 2.10 0.80 -9 -4 0 0.60 0.40 9 -4 0 1.60 0.90 9 -4 0 1.40 0.50 -9 4 0 0.00 0.70 0 -5 0 0.60 0.20 0 -5 0 0.70 0.30 0 -5 0 0.40 0.30 0 5 0 1.10 0.30 0 5 0 0.50 0.30 0 5 0 1.00 0.30 0 5 0 1.00 0.40 0 5 0 0.80 0.20 1 -5 0 18.10 0.90 -1 -5 0 17.30 0.90 -1 -5 0 18.30 1.10 1 -5 0 17.20 0.60 1 -5 0 15.60 1.00 -1 -5 0 16.40 0.80 1 5 0 17.80 0.90 -1 5 0 16.90 1.00 1 5 0 16.90 0.90 -1 5 0 16.60 0.90 1 5 0 16.60 0.80 -1 5 0 17.30 0.80 1 5 0 17.30 0.90 1 5 0 15.80 0.80 1 5 0 16.10 1.00 -1 5 0 17.20 0.90 -2 -5 0 0.70 0.30 -2 -5 0 0.30 0.30 2 -5 0 0.50 0.30 -2 -5 0 0.40 0.40 -2 -5 0 0.20 0.30 2 -5 0 1.20 0.40 -2 5 0 0.40 0.30 2 5 0 0.90 0.30 -2 5 0 0.40 0.30 -2 5 0 0.90 0.30 2 5 0 1.40 0.40 2 5 0 0.40 0.30 2 5 0 0.30 0.30 2 5 0 0.60 0.40 -2 5 0 0.30 0.30 2 5 0 0.70 0.40 -3 -5 0 65.49 2.20 -3 -5 0 67.09 1.80 -3 -5 0 67.39 2.10 3 -5 0 68.19 2.40 3 -5 0 63.89 2.20 -3 -5 0 65.19 2.30 -3 5 0 64.69 2.30 3 5 0 67.69 2.50 3 5 0 65.89 2.20 -3 5 0 66.79 2.10 3 5 0 68.69 2.10 -3 5 0 67.09 2.30 -3 5 0 63.09 2.20 3 5 0 69.39 2.40 3 5 0 67.89 2.20 -4 -5 0 11.30 1.00 4 -5 0 11.70 1.00 -4 -5 0 12.90 0.70 4 -5 0 12.50 0.90 4 -5 0 12.30 0.50 -4 -5 0 13.20 1.10 -4 -5 0 12.60 0.90 -4 5 0 12.30 0.90 -4 5 0 12.00 1.00 4 5 0 11.10 0.90 -4 5 0 12.50 1.00 4 5 0 10.70 1.00 4 5 0 12.20 0.80 4 5 0 11.90 0.90 4 5 0 12.90 1.10 -5 -5 0 29.80 1.70 5 -5 0 27.50 1.00 -5 -5 0 29.40 1.60 5 -5 0 30.40 1.60 -5 -5 0 29.00 1.30 -5 -5 0 27.50 1.40 5 -5 0 27.10 1.50 5 5 0 27.50 1.20 -5 5 0 29.90 1.40 5 5 0 25.70 1.40 5 5 0 28.80 1.70 -5 5 0 27.90 1.60 5 5 0 29.10 1.50 5 5 0 27.40 1.60 -5 5 0 27.60 1.50 -6 -5 0 33.90 1.80 -6 -5 0 35.10 1.60 -6 -5 0 36.90 1.70 6 -5 0 33.50 1.80 -6 -5 0 35.30 1.50 6 -5 0 34.50 1.80 -6 -5 0 34.60 1.90 6 -5 0 32.80 1.20 6 5 0 33.60 1.40 6 5 0 34.40 1.90 6 5 0 37.30 1.80 -6 5 0 33.00 1.90 -6 5 0 33.50 1.70 6 5 0 35.10 1.70 -6 5 0 32.80 1.60 -6 5 0 33.60 1.70 6 5 0 34.10 1.90 7 -5 0 1.50 0.70 -7 -5 0 3.10 0.90 7 -5 0 2.00 0.70 -7 -5 0 1.10 0.50 -7 -5 0 1.70 0.70 -7 -5 0 1.50 0.60 7 -5 0 2.10 0.40 -7 5 0 1.30 0.60 7 5 0 2.20 0.80 -7 5 0 2.10 0.60 7 5 0 2.10 0.50 -7 5 0 1.30 0.70 7 5 0 2.00 0.80 -7 5 0 1.70 0.80 7 5 0 1.60 0.60 7 5 0 2.60 0.70 -8 -5 0 1.30 0.60 -8 -5 0 1.90 0.80 8 -5 0 1.90 0.90 -8 -5 0 2.10 0.50 8 -5 0 0.90 0.70 -8 -5 0 2.50 0.70 -8 5 0 1.20 0.80 8 5 0 1.00 0.70 8 5 0 1.60 0.80 -8 5 0 2.00 0.60 0 -6 0 40.30 1.40 0 -6 0 43.70 1.80 0 6 0 43.20 1.60 0 6 0 43.40 1.60 0 6 0 43.30 1.60 0 6 0 43.00 1.80 0 6 0 41.60 1.20 1 -6 0 28.10 1.20 -1 -6 0 30.70 1.30 1 -6 0 31.20 1.00 -1 -6 0 30.90 1.50 -1 -6 0 31.70 1.30 1 -6 0 31.20 1.50 1 6 0 31.30 1.30 1 6 0 32.50 1.30 1 6 0 30.70 1.40 -1 6 0 30.50 1.50 -1 6 0 30.00 1.30 1 6 0 30.80 1.30 1 6 0 31.50 1.60 -1 6 0 30.60 1.30 1 6 0 32.30 1.30 -1 6 0 31.20 1.20 -2 -6 0 80.29 2.60 2 -6 0 78.39 2.70 -2 -6 0 79.19 2.80 2 -6 0 75.69 2.50 -2 -6 0 81.29 2.60 -2 6 0 81.49 2.50 2 6 0 79.59 2.60 2 6 0 80.29 2.50 2 6 0 82.29 2.50 2 6 0 74.79 2.50 2 6 0 79.89 2.50 -2 6 0 76.29 2.50 2 6 0 79.19 2.80 -2 6 0 78.29 2.60 -2 6 0 82.29 2.70 3 -6 0 20.90 1.30 -3 -6 0 18.50 1.00 3 -6 0 19.00 1.20 -3 -6 0 21.80 1.20 -3 -6 0 19.00 1.20 3 6 0 18.70 1.30 3 6 0 20.50 1.10 3 6 0 19.00 1.10 -3 6 0 17.80 1.10 -3 6 0 20.30 1.10 -3 6 0 19.40 1.20 3 6 0 19.30 1.00 3 6 0 18.10 1.20 -3 6 0 17.80 1.10 3 6 0 16.70 1.10 -4 -6 0 8.90 0.80 -4 -6 0 9.40 1.00 -4 -6 0 12.70 1.10 4 -6 0 10.60 1.10 4 -6 0 11.80 1.00 -4 -6 0 10.60 0.60 -4 6 0 10.10 0.90 -4 6 0 10.90 1.00 4 6 0 9.30 0.90 4 6 0 9.40 1.00 4 6 0 9.40 0.80 4 6 0 9.10 0.90 4 6 0 7.60 1.00 -4 6 0 10.60 1.00 -5 -6 0 8.40 0.70 -5 -6 0 7.80 0.90 5 -6 0 11.00 1.20 -5 -6 0 8.60 1.10 5 -6 0 7.40 1.00 -5 -6 0 9.70 1.10 5 6 0 8.60 1.10 -5 6 0 10.00 1.00 5 6 0 7.30 1.00 5 6 0 8.70 0.90 5 6 0 8.50 0.70 5 6 0 7.60 0.90 -5 6 0 9.10 0.90 -5 6 0 9.20 1.10 -6 -6 0 7.10 1.20 6 -6 0 6.90 1.00 -6 -6 0 7.80 1.00 6 -6 0 9.30 1.10 -6 -6 0 7.40 0.90 -6 -6 0 8.30 0.80 6 6 0 6.20 1.00 6 6 0 8.60 1.00 -6 6 0 9.30 1.10 6 6 0 7.20 1.10 -6 6 0 7.30 1.00 6 6 0 10.80 1.00 -6 6 0 8.80 1.20 6 6 0 8.30 0.70 -6 6 0 8.20 0.90 7 -6 0 4.50 1.00 -7 -6 0 4.40 1.00 -7 -6 0 4.40 1.00 -7 -6 0 5.70 0.90 7 -6 0 4.90 1.00 -7 -6 0 3.90 0.70 7 6 0 5.90 1.10 -7 6 0 3.70 0.80 7 6 0 4.00 0.90 -7 6 0 4.10 0.90 7 6 0 4.90 0.60 -7 6 0 4.60 0.80 7 6 0 3.80 0.90 -7 6 0 5.50 1.10 7 6 0 4.80 1.00 8 -6 0 7.30 1.10 -8 -6 0 6.30 0.90 -8 -6 0 5.40 0.90 8 -6 0 5.20 1.10 -8 6 0 5.80 1.00 0 -7 0 1.70 0.60 0 -7 0 1.70 0.40 0 7 0 3.00 0.30 0 7 0 1.60 0.50 0 7 0 1.50 0.60 0 7 0 2.30 0.50 0 7 0 1.80 0.50 -1 -7 0 22.00 1.40 -1 -7 0 19.90 1.10 1 -7 0 19.50 0.80 1 -7 0 22.10 1.40 -1 -7 0 19.70 1.00 -1 7 0 19.10 1.10 -1 7 0 19.80 1.10 -1 7 0 21.20 1.40 1 7 0 21.10 1.20 1 7 0 20.80 1.40 -1 7 0 21.10 1.10 1 7 0 19.40 1.10 1 7 0 18.90 1.10 -1 7 0 19.00 0.90 1 7 0 18.90 1.10 1 7 0 20.20 1.10 -2 -7 0 19.50 1.40 -2 -7 0 20.00 1.20 2 -7 0 21.50 1.20 2 -7 0 18.90 1.30 -2 -7 0 19.90 1.20 2 7 0 21.10 1.20 2 7 0 20.20 1.10 2 7 0 21.80 1.20 2 7 0 19.80 1.40 -2 7 0 19.30 1.30 -2 7 0 19.30 1.10 2 7 0 20.40 1.20 -2 7 0 17.70 1.20 2 7 0 17.10 1.10 -2 7 0 18.20 1.10 -3 -7 0 33.40 1.60 3 -7 0 34.90 1.80 3 -7 0 30.80 1.60 -3 -7 0 33.30 1.60 -3 7 0 31.20 1.50 -3 7 0 32.20 1.50 3 7 0 29.50 1.60 3 7 0 31.80 1.60 3 7 0 33.00 1.50 3 7 0 34.50 1.50 -3 7 0 30.60 1.40 -3 7 0 31.90 1.70 -3 7 0 33.70 1.60 3 7 0 33.00 1.50 3 7 0 32.30 1.90 -4 -7 0 0.30 0.50 -4 -7 0 0.50 0.40 4 -7 0 0.40 0.50 -4 -7 0 0.70 0.60 4 -7 0 0.20 0.50 4 7 0 0.30 0.50 -4 7 0 0.60 0.50 4 7 0 0.50 0.50 -4 7 0 0.50 0.50 4 7 0 0.30 0.50 4 7 0 0.40 0.40 -4 7 0 0.70 0.50 4 7 0 0.30 0.50 4 7 0 0.60 0.60 5 -7 0 5.60 0.90 -5 -7 0 7.40 1.00 -5 -7 0 8.50 1.10 5 -7 0 8.60 1.10 -5 -7 0 6.80 0.50 -5 -7 0 7.60 0.80 -5 -7 0 7.30 0.50 -5 7 0 7.00 0.80 5 7 0 7.70 1.00 -5 7 0 8.10 1.00 5 7 0 7.50 0.90 5 7 0 7.20 1.20 -5 7 0 7.30 1.00 5 7 0 6.10 0.90 5 7 0 8.40 1.10 5 7 0 7.80 0.80 6 -7 0 2.00 0.80 -6 -7 0 2.10 0.80 -6 -7 0 1.60 0.60 6 -7 0 2.00 0.80 -6 -7 0 2.10 0.40 -6 -7 0 0.40 0.60 6 7 0 1.70 0.70 6 7 0 2.70 0.80 -6 7 0 2.90 0.70 6 7 0 1.60 0.70 6 7 0 2.30 0.50 -6 7 0 2.00 0.80 -6 7 0 1.20 0.60 6 7 0 1.60 0.70 7 -7 0 0.00 0.70 -7 -7 0 0.50 0.60 7 -7 0 0.50 0.70 -7 -7 0 1.00 0.40 -7 7 0 1.10 0.70 7 7 0 0.60 0.40 -7 7 0 0.50 1.00 7 7 0 1.10 0.70 0 -8 0 13.20 0.80 0 -8 0 14.10 1.30 0 8 0 13.80 1.20 0 8 0 14.20 1.10 0 8 0 13.30 1.00 0 8 0 12.00 1.00 -1 -8 0 13.60 1.00 -1 -8 0 13.80 1.30 1 -8 0 12.90 1.30 1 -8 0 13.20 0.70 -1 -8 0 13.10 0.90 1 8 0 14.40 1.20 1 8 0 12.90 1.00 -1 8 0 13.90 1.30 -1 8 0 13.00 1.00 1 8 0 13.20 1.30 1 8 0 13.00 1.00 -1 8 0 14.60 0.80 -1 8 0 12.90 1.00 -1 8 0 14.50 1.00 1 8 0 13.60 1.10 -2 -8 0 1.70 0.60 -2 -8 0 4.40 0.90 2 -8 0 3.60 0.80 -2 -8 0 2.60 0.60 2 -8 0 3.40 0.60 2 8 0 3.90 0.70 -2 8 0 3.40 0.60 2 8 0 2.30 0.60 -2 8 0 4.00 0.70 2 8 0 2.50 0.70 2 8 0 2.70 0.60 2 8 0 2.50 0.60 -2 8 0 2.70 0.50 2 8 0 4.20 0.70 -2 8 0 4.00 0.80 3 -8 0 2.50 0.60 3 -8 0 1.10 0.70 -3 -8 0 0.90 0.50 -3 -8 0 0.60 0.50 3 8 0 2.80 0.80 -3 8 0 1.70 0.50 3 8 0 1.20 0.50 3 8 0 1.30 0.60 3 8 0 1.60 0.50 3 8 0 0.80 0.60 -3 8 0 2.10 0.70 3 8 0 0.50 0.50 -3 8 0 1.80 0.60 -3 8 0 1.00 0.50 -3 8 0 0.60 0.50 -4 -8 0 8.50 1.00 -4 -8 0 8.80 1.10 4 -8 0 10.00 1.20 4 -8 0 6.30 0.90 -4 8 0 9.00 1.00 -4 8 0 6.10 0.90 4 8 0 8.30 0.90 4 8 0 8.10 1.00 4 8 0 7.00 1.00 -4 8 0 9.40 1.00 -4 8 0 8.30 1.00 4 8 0 8.10 0.90 4 8 0 6.80 1.20 4 8 0 7.40 1.00 -4 8 0 7.20 0.90 -5 -8 0 3.20 0.60 -5 -8 0 4.30 0.90 -5 -8 0 3.00 0.80 5 -8 0 3.20 0.80 5 -8 0 3.70 0.90 5 8 0 2.50 0.60 -5 8 0 2.50 0.60 -5 8 0 1.70 0.70 5 8 0 2.80 0.80 -5 8 0 4.90 0.80 -5 8 0 2.20 0.80 5 8 0 3.90 1.00 5 8 0 2.10 0.70 5 8 0 2.60 0.70 5 8 0 2.60 0.70 -6 -8 0 3.80 1.00 -6 -8 0 4.10 1.10 6 -8 0 6.30 1.10 -6 -8 0 5.70 0.80 6 -8 0 5.20 1.00 6 8 0 3.60 0.90 6 8 0 4.70 0.70 -6 8 0 4.00 0.80 -6 8 0 5.50 0.90 6 8 0 3.00 0.90 6 8 0 4.80 1.10 6 8 0 5.30 1.10 6 8 0 6.70 1.00 -6 8 0 4.60 1.00 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1.90 4 -2 8 37.60 2.00 4 -2 8 37.70 2.00 -4 -2 -8 34.80 1.60 -4 -2 -8 37.10 1.30 4 2 8 36.00 1.60 -4 2 -8 38.90 2.20 4 2 8 38.00 2.00 4 2 8 36.30 1.70 4 2 8 36.30 1.90 -4 2 -8 35.10 1.60 -4 2 -8 35.50 1.50 -4 2 -8 35.90 1.80 -5 -2 -8 12.50 1.40 5 -2 8 12.80 1.40 5 -2 8 9.80 1.20 -5 -2 -8 11.30 1.00 5 -2 8 10.90 1.20 5 -2 8 13.70 1.40 -5 -2 -8 10.80 0.80 -5 2 -8 11.40 1.40 -5 2 -8 12.70 1.20 5 2 8 11.60 1.20 5 2 8 12.00 1.20 -5 2 -8 10.90 1.00 5 2 8 11.30 1.10 -5 2 -8 12.00 0.90 5 2 8 12.10 1.30 -6 -2 -8 3.90 0.90 6 -2 8 3.40 0.90 -6 -2 -8 3.70 0.60 6 -2 8 2.00 0.70 -6 2 -8 3.40 0.70 6 2 8 4.20 0.80 -6 2 -8 2.70 0.80 -6 2 -8 3.20 0.50 -6 2 -8 3.20 0.50 -7 -2 -8 2.50 0.60 -7 2 -8 2.10 0.40 -7 2 -8 2.20 0.40 9 -3 -8 13.10 1.30 -9 -3 8 13.40 1.60 9 3 -8 18.40 1.70 -9 3 8 14.70 1.20 -9 3 8 14.20 1.40 9 3 -8 13.60 0.90 -8 -3 8 22.60 1.80 -8 -3 8 19.20 1.50 -8 -3 8 24.80 1.80 8 -3 -8 23.00 1.40 -8 -3 8 21.30 1.60 -8 3 8 21.80 1.50 8 3 -8 20.90 1.60 -8 3 8 21.40 1.30 8 3 -8 22.60 1.60 -8 3 8 21.30 1.60 -8 3 8 23.30 1.40 8 3 -8 22.20 1.10 8 3 -8 24.50 1.50 -7 -3 8 10.40 1.20 -7 -3 8 10.70 1.20 -7 -3 8 10.00 1.20 -7 -3 8 8.30 1.10 7 3 -8 8.30 1.10 -7 3 8 10.00 1.00 7 3 -8 9.70 1.10 7 3 -8 9.90 0.80 -7 3 8 9.30 0.90 -7 3 8 9.70 0.90 7 3 -8 9.20 1.00 -7 3 8 8.70 1.00 7 3 -8 9.30 1.10 -6 -3 8 69.89 2.80 -6 -3 8 73.09 2.70 6 -3 -8 69.49 2.30 -6 -3 8 69.89 2.80 -6 -3 8 70.59 2.70 -6 -3 8 71.19 2.80 6 3 -8 67.29 2.20 6 3 -8 67.09 2.60 -6 3 8 68.99 2.30 6 3 -8 71.39 2.40 6 3 -8 67.29 2.70 -6 3 8 70.79 2.70 -6 3 8 67.89 2.40 -6 3 8 66.79 2.40 6 3 -8 70.69 2.70 5 -3 -8 60.79 2.00 -5 -3 8 58.39 2.30 -5 -3 8 56.79 2.00 -5 -3 8 55.89 2.40 -5 -3 8 60.69 2.40 -5 -3 8 59.99 2.40 -5 -3 8 57.69 2.40 -5 3 8 59.79 1.90 5 3 -8 56.29 2.40 -5 3 8 58.79 2.00 5 3 -8 60.79 2.30 5 3 -8 57.69 2.30 -5 3 8 61.69 2.10 5 3 -8 62.59 2.10 -5 3 8 59.89 2.30 5 3 -8 61.69 2.00 -4 -3 8 40.90 1.80 -4 -3 8 36.00 1.70 -4 -3 8 38.40 1.80 -4 -3 8 39.90 1.90 -4 -3 8 39.60 1.80 -4 -3 8 37.80 1.50 4 -3 -8 41.60 1.30 4 3 -8 40.30 1.50 -4 3 8 37.00 1.40 -4 3 8 42.00 1.70 4 3 -8 42.00 1.80 -4 3 8 38.60 1.30 4 3 -8 41.20 1.60 4 3 -8 41.70 1.90 4 3 -8 34.90 1.70 -3 -3 8 86.49 2.90 3 -3 -8 85.19 2.20 -3 -3 8 87.99 3.00 -3 -3 8 82.69 2.90 -3 -3 8 85.89 2.80 3 -3 -8 86.99 2.30 -3 -3 8 84.79 2.70 -3 3 8 86.49 2.30 3 3 -8 84.89 2.80 3 3 -8 89.19 2.70 -3 3 8 91.09 3.00 3 3 -8 87.59 2.90 -3 3 8 85.59 2.70 3 3 -8 84.89 2.80 -3 3 8 85.99 2.30 -3 3 8 84.79 2.30 3 3 -8 81.09 2.60 -2 -3 8 22.70 1.30 -2 -3 8 24.10 1.20 -2 -3 8 22.60 1.30 -2 -3 8 23.70 1.20 -2 -3 8 24.30 1.30 -2 -3 8 21.40 1.30 -2 3 8 21.90 1.30 2 3 -8 23.10 1.30 2 3 -8 22.10 1.20 2 3 -8 21.30 1.10 2 3 -8 23.10 1.20 -2 3 8 23.20 1.00 -2 3 8 23.00 1.10 -2 3 8 21.70 0.70 2 3 -8 24.50 1.10 -1 -3 8 135.29 4.00 -1 -3 8 129.89 4.10 -1 -3 8 135.69 4.00 -1 -3 8 135.29 4.00 -1 -3 8 134.99 4.00 -1 3 8 140.79 4.00 1 3 -8 132.89 3.80 -1 3 8 134.79 3.70 -1 3 8 134.39 4.00 1 3 -8 145.89 4.10 1 3 -8 140.39 4.20 1 3 -8 133.19 4.00 -1 3 8 131.89 3.30 1 3 -8 140.59 4.00 -1 3 8 131.89 3.30 0 -3 8 260.27 6.80 0 -3 -8 247.98 5.90 0 -3 -8 247.98 6.00 0 -3 8 250.27 6.80 0 -3 8 237.28 6.70 0 -3 -8 242.78 6.60 0 3 -8 243.98 6.50 0 3 8 251.67 6.60 0 3 8 253.97 6.70 0 3 -8 247.88 6.60 0 3 8 242.18 6.10 0 3 8 246.28 6.00 0 3 -8 248.18 6.40 0 3 -8 243.48 6.50 0 3 -8 253.27 6.70 0 3 -8 248.78 6.80 0 3 8 242.88 6.00 1 -3 8 341.07 9.40 -1 -3 -8 355.96 8.70 -1 -3 -8 354.16 9.20 1 -3 8 355.06 9.30 1 -3 8 356.16 9.40 1 3 8 373.66 9.30 -1 3 -8 364.06 9.20 1 3 8 353.16 9.20 -1 3 -8 363.36 9.50 -1 3 -8 359.76 9.00 -1 3 -8 352.96 9.30 1 3 8 356.16 8.70 1 3 8 339.97 8.50 -1 3 -8 358.16 9.10 1 3 8 358.26 8.70 -1 3 -8 355.06 9.10 -2 -3 -8 73.29 2.60 2 -3 8 66.29 2.70 2 -3 8 70.49 2.70 2 -3 8 70.89 2.70 -2 -3 -8 65.99 2.10 2 -3 8 72.79 2.60 -2 3 -8 69.59 2.30 -2 3 -8 65.39 2.30 -2 3 -8 68.79 2.50 2 3 8 70.79 2.50 -2 3 -8 69.49 2.80 2 3 8 67.89 2.20 2 3 8 68.29 2.10 -2 3 -8 67.99 2.60 -2 3 -8 67.29 2.40 2 3 8 69.19 2.60 3 -3 8 7.40 1.00 3 -3 8 4.90 0.90 -3 -3 -8 4.40 0.70 3 -3 8 5.20 0.90 -3 -3 -8 4.10 0.60 3 -3 8 6.50 1.00 -3 3 -8 5.00 0.70 3 3 8 4.00 0.70 -3 3 -8 4.60 0.60 -3 3 -8 4.60 0.80 3 3 8 3.60 0.60 3 3 8 4.70 0.60 -3 3 -8 5.20 0.80 -3 3 -8 5.80 1.00 3 3 8 4.90 0.80 4 -3 8 5.50 1.00 -4 -3 -8 6.90 0.40 4 -3 8 7.60 1.00 -4 -3 -8 7.40 1.00 -4 -3 -8 7.00 0.40 4 -3 8 8.10 1.20 4 -3 8 9.70 1.30 -4 -3 -8 5.90 0.70 -4 3 -8 9.00 1.30 -4 3 -8 6.90 0.90 4 3 8 6.40 0.80 -4 3 -8 7.70 0.80 -4 3 -8 7.00 0.80 4 3 8 6.00 0.90 4 3 8 7.10 0.80 4 3 8 6.60 0.90 5 -3 8 3.30 1.00 5 -3 8 2.60 0.80 5 -3 8 1.20 0.60 5 -3 8 3.50 0.70 -5 -3 -8 3.40 0.50 -5 -3 -8 3.70 0.80 -5 -3 -8 2.70 0.60 -5 -3 -8 2.80 0.40 -5 3 -8 2.80 0.60 -5 3 -8 4.20 1.00 5 3 8 3.00 0.70 -5 3 -8 3.60 0.60 5 3 8 2.80 0.80 -5 3 -8 2.60 0.70 5 3 8 3.30 0.70 -6 -3 -8 0.10 0.40 -6 -3 -8 0.10 0.60 6 -3 8 0.50 0.60 6 -3 8 0.60 0.80 -6 3 -8 0.50 0.40 -6 3 -8 0.10 0.60 6 3 8 1.60 0.70 -6 3 -8 0.90 0.40 -6 3 -8 1.10 0.60 -9 -4 8 3.90 1.10 9 -4 -8 4.60 0.90 -9 4 8 3.60 0.90 9 4 -8 3.90 0.60 -9 4 8 4.50 0.70 9 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1.20 -5 4 8 17.80 1.20 -4 -4 8 8.90 1.10 -4 -4 8 6.00 0.80 -4 -4 8 9.20 1.00 4 -4 -8 8.80 0.60 -4 -4 8 9.70 1.00 -4 -4 8 7.40 0.80 -4 -4 8 9.20 1.10 4 4 -8 7.70 0.80 4 4 -8 7.30 0.90 4 4 -8 10.50 0.90 4 4 -8 7.90 0.90 -4 4 8 8.20 0.60 -4 4 8 8.40 0.90 -4 4 8 7.40 0.60 4 4 -8 9.10 1.10 -3 -4 8 62.39 2.50 -3 -4 8 61.59 2.30 -3 -4 8 63.49 2.40 -3 -4 8 58.89 2.30 -3 -4 8 57.79 2.40 -3 -4 8 62.09 2.40 3 4 -8 65.09 2.50 -3 4 8 66.59 2.20 3 4 -8 59.09 2.30 -3 4 8 62.39 1.70 3 4 -8 64.19 2.20 -3 4 8 63.19 1.90 3 4 -8 61.29 2.30 -3 4 8 66.09 2.40 3 4 -8 61.09 2.20 -2 -4 8 32.20 1.60 -2 -4 8 29.90 1.60 -2 -4 8 31.60 1.60 -2 -4 8 31.50 1.50 -2 -4 8 29.40 1.50 -2 -4 8 29.40 1.50 2 4 -8 32.20 1.60 2 4 -8 30.10 1.40 -2 4 8 31.50 1.30 2 4 -8 31.40 1.50 -2 4 8 31.10 1.40 -2 4 8 31.60 1.50 2 4 -8 31.50 1.60 2 4 -8 30.50 1.50 -2 4 8 31.00 1.30 -1 -4 8 43.70 1.90 -1 -4 8 41.10 1.90 -1 -4 8 44.00 1.90 1 4 -8 42.50 1.90 1 4 -8 45.30 1.80 -1 4 8 46.00 1.80 1 4 -8 45.40 1.80 -1 4 8 41.90 1.50 -1 4 8 43.40 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-15 7.50 0.80 -1 0 15 8.40 1.10 -1 0 15 4.70 1.00 0 0 15 0.10 0.60 0 0 -15 0.30 0.40 0 0 -15 0.10 0.30 1 0 15 7.70 1.30 -1 0 -15 6.50 0.90 -1 0 -15 7.00 0.60 -2 0 -15 3.40 0.80 6 -1 -15 6.70 0.80 -6 -1 15 7.10 1.00 -6 -1 15 8.20 1.20 6 1 -15 8.70 1.00 -6 1 15 6.60 0.90 -6 1 15 7.80 1.10 5 -1 -15 13.80 1.40 -5 -1 15 15.10 0.60 -5 -1 15 15.00 1.30 5 -1 -15 15.60 1.00 -5 -1 15 16.40 1.40 -5 1 15 14.30 1.40 -5 1 15 15.80 1.30 5 1 -15 15.40 1.20 5 1 -15 13.10 1.70 -4 -1 15 8.50 1.10 4 -1 -15 9.00 1.10 -4 -1 15 8.00 0.80 -4 -1 15 7.60 1.00 4 -1 -15 8.40 0.80 4 -1 -15 7.90 0.80 4 1 -15 5.90 0.80 -4 1 15 8.30 1.00 -4 1 15 7.40 0.60 -4 1 15 8.30 0.60 -4 1 15 7.20 1.00 4 1 -15 8.70 1.10 -3 -1 15 0.40 0.60 3 -1 -15 0.60 0.40 3 -1 -15 0.60 0.40 3 -1 -15 1.10 0.50 -3 -1 15 -0.40 0.50 -3 -1 15 0.10 0.50 -3 -1 15 1.60 0.80 -3 1 15 0.30 0.50 -3 1 15 1.20 0.60 3 1 -15 0.50 0.50 -3 1 15 0.40 0.70 3 1 -15 1.10 0.60 -3 1 15 0.10 0.40 3 1 -15 1.00 0.50 2 -1 -15 7.40 0.70 -2 -1 15 7.60 0.90 -2 -1 15 9.20 1.10 2 -1 -15 7.60 0.90 -2 -1 15 5.70 1.10 2 -1 -15 7.20 0.70 -2 1 15 8.70 1.00 2 1 -15 7.30 0.90 -2 1 15 7.20 1.10 -2 1 15 8.70 1.00 2 1 -15 7.70 0.90 2 1 -15 7.10 0.90 -1 -1 15 11.70 1.30 1 -1 -15 13.80 1.00 1 -1 -15 13.90 1.00 1 -1 -15 12.90 0.90 1 1 -15 14.10 1.20 -1 1 15 15.40 1.10 1 1 -15 13.80 1.10 -1 1 15 16.10 1.40 -1 1 15 14.10 1.50 0 -1 -15 3.90 0.50 0 -1 -15 4.20 0.70 0 -1 15 5.70 1.00 0 1 -15 3.40 0.70 0 1 -15 3.00 0.60 0 1 15 3.60 0.80 -1 -1 -15 11.40 1.00 1 1 15 12.80 1.50 -1 1 -15 10.70 0.80 -1 1 -15 8.20 1.00 -2 -1 -15 12.40 1.20 -2 1 -15 13.70 0.80 -6 -2 15 8.60 1.20 6 -2 -15 9.30 0.80 -6 2 15 11.80 1.00 -6 2 15 10.50 1.30 6 2 -15 11.20 1.20 -6 2 15 12.20 1.10 6 2 -15 10.70 0.60 6 2 -15 10.30 0.60 -5 -2 15 12.70 0.80 5 -2 -15 11.00 1.30 -5 -2 15 10.30 1.20 -5 -2 15 13.50 1.30 5 -2 -15 11.10 0.80 -5 2 15 11.80 1.30 5 2 -15 11.90 1.10 5 2 -15 11.30 0.50 -5 2 15 11.40 1.10 5 2 -15 11.40 0.50 -4 -2 15 3.30 0.80 4 -2 -15 4.00 0.50 4 -2 -15 5.10 0.50 4 -2 -15 4.20 0.80 -4 -2 15 5.20 0.80 -4 -2 15 3.40 0.80 4 2 -15 4.60 0.70 -4 2 15 4.90 0.50 -4 2 15 5.00 0.90 -4 2 15 4.70 0.70 -4 2 15 4.80 0.40 4 2 -15 4.90 0.90 3 -2 -15 6.10 0.90 -3 -2 15 5.60 0.90 -3 -2 15 6.10 1.00 3 -2 -15 5.50 0.50 3 -2 -15 5.20 0.50 -3 -2 15 5.00 0.90 -3 2 15 6.00 1.00 -3 2 15 5.00 0.70 -3 2 15 6.40 1.20 -3 2 15 5.60 0.70 -3 2 15 4.80 0.80 -3 2 15 5.90 0.80 3 2 -15 3.60 0.80 -2 -2 15 6.50 1.00 2 -2 -15 6.70 0.80 2 -2 -15 7.60 0.60 -2 -2 15 7.10 1.00 2 -2 -15 7.00 0.60 -2 2 15 7.00 1.00 -2 2 15 6.50 0.90 -2 2 15 5.30 1.10 2 2 -15 6.90 1.00 -2 2 15 7.30 0.90 -1 -2 15 8.40 1.20 1 -2 -15 10.30 0.70 1 -2 -15 8.00 0.60 1 2 -15 9.60 0.40 1 2 -15 7.10 0.90 -1 2 15 9.60 0.90 -1 2 15 8.40 1.20 -1 2 15 10.20 1.20 -1 2 15 10.60 1.40 1 2 -15 11.20 1.00 0 -2 15 7.20 1.20 0 -2 -15 7.30 0.70 0 -2 -15 8.20 0.80 0 2 -15 7.10 0.50 0 2 -15 7.20 0.90 0 2 15 8.10 1.90 0 2 -15 7.40 1.00 0 2 -15 7.30 0.50 -1 -2 -15 0.90 0.50 -1 2 -15 1.40 0.50 -1 2 -15 0.90 0.30 -1 2 -15 1.20 0.30 -1 2 -15 1.60 0.70 -6 -3 15 3.60 0.90 6 -3 -15 2.40 0.40 -6 3 15 4.70 0.80 6 3 -15 3.30 0.50 6 3 -15 3.30 0.80 -6 3 15 2.60 0.80 -5 -3 15 9.30 1.20 -5 -3 15 11.10 0.90 5 -3 -15 10.70 0.50 5 3 -15 11.70 0.80 5 3 -15 11.40 1.30 5 3 -15 9.50 0.80 -5 3 15 11.40 1.00 -5 3 15 12.80 1.50 -4 -3 15 2.70 0.80 -4 -3 15 3.20 0.70 4 3 -15 3.20 0.50 4 3 -15 3.50 0.50 -4 3 15 3.10 0.80 -4 3 15 3.30 0.80 -4 3 15 3.70 0.70 4 3 -15 4.50 0.90 -3 -3 15 5.80 1.00 -3 -3 15 5.70 1.00 3 3 -15 5.40 0.90 -3 3 15 5.60 0.90 3 3 -15 5.40 0.60 -3 3 15 7.10 0.80 -3 3 15 7.00 0.80 -3 3 15 5.60 0.70 -3 3 15 6.80 1.10 3 3 -15 6.60 1.00 3 3 -15 6.90 0.70 -3 3 15 4.10 1.00 -2 -3 15 1.10 0.70 2 3 -15 0.90 0.40 2 3 -15 0.30 0.60 -2 3 15 0.90 0.50 2 3 -15 0.40 0.50 -2 3 15 -0.30 0.50 -2 3 15 1.00 0.70 2 3 -15 0.80 0.40 -2 3 15 0.90 0.50 -2 3 15 1.20 0.50 -1 -3 15 6.00 1.10 1 3 -15 4.40 0.80 -1 3 15 5.70 0.70 1 3 -15 5.80 0.60 1 3 -15 4.70 0.50 -1 3 15 4.70 1.00 1 3 -15 5.80 1.00 0 -3 15 6.20 1.20 0 -3 -15 5.60 0.40 0 3 -15 5.30 0.60 0 3 -15 6.50 1.00 0 3 -15 5.00 0.60 0 3 15 8.00 1.60 0 3 -15 5.90 0.90 -1 -3 -15 9.40 0.70 -1 3 -15 9.40 1.00 -1 3 -15 9.20 0.90 -1 3 -15 8.90 1.20 -1 3 -15 9.70 0.80 -5 -4 15 2.80 0.70 -5 -4 15 2.40 0.90 5 4 -15 3.20 0.60 -5 4 15 2.40 0.70 5 4 -15 3.50 0.80 -5 4 15 2.30 0.60 -4 -4 15 8.90 1.10 4 4 -15 9.30 0.90 -4 4 15 7.40 0.80 -4 4 15 7.10 1.00 -4 4 15 6.20 1.00 4 4 -15 6.10 0.70 4 4 -15 7.50 1.20 -3 -4 15 10.50 1.30 -3 4 15 8.10 1.20 -3 4 15 8.70 0.80 3 4 -15 7.90 1.10 3 4 -15 7.20 0.80 3 4 -15 8.80 0.80 -3 4 15 8.90 0.80 -3 4 15 10.10 1.50 -3 4 15 8.10 1.00 -3 4 15 7.50 0.80 -2 -4 15 8.40 1.20 2 4 -15 6.50 1.00 -2 4 15 5.40 0.90 -2 4 15 9.30 1.30 -2 4 15 6.00 0.80 -2 4 15 7.30 0.90 2 4 -15 7.10 0.80 2 4 -15 4.80 1.00 2 4 -15 8.40 0.80 -1 -4 15 26.70 2.00 -1 4 15 26.30 1.30 1 4 -15 26.00 1.80 1 4 -15 24.90 1.30 1 4 -15 28.60 1.70 1 4 -15 28.80 1.50 -1 4 15 25.60 1.90 -1 4 15 24.60 1.60 0 4 15 2.00 1.10 0 4 15 2.10 0.80 0 4 -15 2.30 0.50 0 4 -15 2.90 0.70 0 4 -15 2.00 0.80 0 4 -15 1.70 0.60 -4 -5 15 39.90 2.20 4 5 -15 36.80 2.30 -4 5 15 38.60 1.60 4 5 -15 39.20 1.80 -4 5 15 40.80 2.10 -4 5 15 39.80 2.10 4 5 -15 40.70 1.90 -3 -5 15 12.40 1.50 -3 5 15 11.10 1.20 -3 5 15 11.00 0.80 -3 5 15 12.00 1.00 -3 5 15 8.20 1.00 3 5 -15 10.90 1.00 3 5 -15 11.20 1.40 3 5 -15 10.90 1.10 -2 -5 15 7.40 1.20 -2 5 15 6.40 1.10 2 5 -15 7.10 1.00 -2 5 15 7.00 0.90 -2 5 15 5.70 1.00 2 5 -15 7.20 0.90 2 5 -15 5.50 1.10 -2 5 15 6.40 0.90 -1 5 15 1.90 0.50 1 5 -15 1.00 0.80 -1 5 15 0.50 0.50 1 5 -15 1.90 0.70 1 5 -15 1.30 0.50 -1 5 15 1.50 0.70 -5 0 16 0.50 0.60 5 0 -16 0.70 0.50 4 0 -16 7.40 0.90 4 0 -16 7.10 1.00 -4 0 16 8.30 0.80 -4 0 16 7.90 1.10 -4 0 16 6.70 1.00 3 0 -16 0.30 0.50 -3 0 16 -0.10 0.50 3 0 -16 0.10 0.40 -3 0 16 -0.30 0.40 -3 0 16 0.10 0.50 -2 0 16 29.70 1.70 2 0 -16 28.20 1.50 2 0 -16 28.50 1.60 -2 0 16 27.20 1.70 1 0 -16 0.20 0.40 1 0 -16 -0.10 0.50 -1 0 16 1.00 0.60 0 0 -16 11.30 0.90 0 0 -16 12.70 1.20 0 0 16 13.40 1.50 -5 -1 16 12.40 1.60 5 -1 -16 8.50 0.80 5 1 -16 10.20 1.00 -5 1 16 9.30 1.10 -4 -1 16 -0.20 0.60 4 -1 -16 0.40 0.40 4 -1 -16 0.90 0.70 -4 -1 16 0.30 0.40 -4 1 16 0.30 0.60 -4 1 16 0.60 0.30 -4 1 16 0.80 0.30 -4 1 16 1.00 0.50 4 1 -16 0.50 0.50 4 1 -16 0.10 0.70 -3 -1 16 1.80 0.70 3 -1 -16 1.10 0.60 3 -1 -16 2.40 0.50 -3 -1 16 0.90 0.50 -3 1 16 2.30 0.60 -3 1 16 2.10 0.60 3 1 -16 2.90 0.60 3 1 -16 3.00 0.70 -3 1 16 3.30 0.80 -2 -1 16 0.10 0.60 2 -1 -16 0.00 0.40 2 -1 -16 -0.70 0.40 -2 -1 16 0.40 0.50 -2 1 16 0.10 0.50 2 1 -16 0.90 0.50 -2 1 16 -0.30 0.40 2 1 -16 0.00 0.50 1 -1 -16 52.89 2.00 1 -1 -16 49.70 2.00 -1 -1 16 49.80 2.50 1 1 -16 47.10 2.10 -1 1 16 49.50 2.40 1 1 -16 48.70 2.20 0 -1 -16 1.60 0.50 0 -1 16 1.00 0.80 0 -1 -16 1.20 0.40 0 1 16 1.30 0.70 0 1 -16 2.40 0.70 0 1 -16 2.30 0.60 5 -2 -16 6.20 0.60 -5 -2 16 7.10 0.70 -5 2 16 7.70 1.00 4 -2 -16 -0.70 0.50 -4 -2 16 -0.40 0.40 4 -2 -16 -0.40 0.30 -4 2 16 -0.50 0.40 -4 2 16 -0.10 0.20 -4 2 16 0.00 0.50 -4 2 16 -0.10 0.20 3 -2 -16 14.90 1.30 3 -2 -16 14.40 0.70 3 -2 -16 13.90 0.70 -3 -2 16 13.70 1.30 -3 -2 16 13.00 1.20 -3 2 16 14.30 1.20 -3 2 16 12.80 1.20 3 2 -16 12.60 1.30 -3 2 16 14.30 1.00 -3 2 16 13.90 1.10 -2 -2 16 8.70 1.20 2 -2 -16 6.90 0.60 2 -2 -16 7.20 0.50 -2 2 16 7.40 0.90 -2 2 16 8.40 1.00 2 2 -16 8.10 1.00 1 -2 -16 2.50 0.40 -1 -2 16 3.10 0.90 1 2 -16 2.40 0.70 -1 2 16 2.60 0.70 -1 2 16 1.70 0.60 0 -2 -16 3.90 0.60 0 2 16 4.00 0.90 0 2 -16 4.40 0.70 -4 -3 16 20.80 1.40 -4 3 16 23.00 1.60 -4 3 16 21.80 1.30 4 3 -16 21.00 0.90 4 3 -16 22.00 0.90 4 3 -16 21.10 1.60 -3 -3 16 11.30 1.30 3 3 -16 10.00 0.60 3 3 -16 12.60 1.30 3 3 -16 9.30 0.60 -3 3 16 9.70 0.90 -3 3 16 8.70 0.90 -3 3 16 11.60 1.10 -2 -3 16 10.70 1.40 2 3 -16 12.00 0.70 2 3 -16 14.70 1.30 -2 3 16 11.20 1.10 2 3 -16 10.20 1.20 -2 3 16 11.60 1.10 -2 3 16 10.40 1.10 2 3 -16 11.10 0.70 -1 -3 16 24.50 1.90 1 3 -16 21.20 0.90 -1 3 16 21.70 1.20 1 3 -16 22.10 1.50 1 3 -16 21.10 0.90 -1 3 16 19.10 1.60 1 3 -16 19.30 1.60 -3 -4 16 6.40 1.10 3 4 -16 5.20 0.70 3 4 -16 3.30 0.60 -3 4 16 3.80 0.70 3 4 -16 5.40 1.00 -3 4 16 5.60 0.70 -3 4 16 4.90 0.70 -2 -4 16 2.50 0.90 -2 4 16 2.40 0.60 2 4 -16 1.80 0.50 -2 4 16 3.20 0.70 -2 4 16 2.20 0.70 2 4 -16 2.40 0.60 2 4 -16 2.70 0.80 3 0 -17 -0.70 0.50 -3 0 17 -0.30 0.40 -3 0 17 0.90 0.50 3 0 -17 0.10 0.60 0 0 0 0.00 0.00 _computing_structure_solution 'SHELXT 2014/5 (Sheldrick, 2014)' ; _shelx_hkl_checksum 49914 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, y+1/2, -z' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_site_symmetry_order _atom_site_calc_flag _atom_site_refinement_flags_posn _atom_site_refinement_flags_adp _atom_site_refinement_flags_occupancy _atom_site_disorder_assembly _atom_site_disorder_group O001 O 0.87253(16) 0.66881(16) 0.24700(9) 0.0374(3) Uani 1 1 d . . . . . O2 O 0.4953(2) 0.31974(17) -0.07337(12) 0.0433(3) Uani 1 1 d . . . . . O003 O 0.14219(18) 0.27013(18) -0.02817(11) 0.0443(3) Uani 1 1 d . . . . . H3 H 0.170(6) 0.240(5) -0.093(3) 0.092(11) Uiso 1 1 d . . . . . N004 N 0.3197(2) 0.56831(19) 0.31673(12) 0.0372(3) Uani 1 1 d . . . . . H4 H 0.200(4) 0.596(3) 0.299(2) 0.053(7) Uiso 1 1 d . . . . . O005 O 0.3468(2) 0.6560(3) 0.49810(13) 0.0607(4) Uani 1 1 d . . . . . N6 N 0.74853(19) 0.62709(18) 0.40034(11) 0.0355(3) Uani 1 1 d . . . . . C007 C 0.4735(2) 0.37628(19) 0.02915(13) 0.0323(3) Uani 1 1 d . . . . . C008 C 0.3883(2) 0.49608(19) 0.22808(12) 0.0313(3) Uani 1 1 d . . . . . C009 C 0.5796(2) 0.51503(18) 0.21300(12) 0.0296(3) Uani 1 1 d . . . . . C00A C 0.2852(2) 0.35073(19) 0.04789(14) 0.0337(3) Uani 1 1 d . . . . . C00B C 0.4217(2) 0.5909(2) 0.42950(14) 0.0370(3) Uani 1 1 d . . . . . C00C C 0.6168(2) 0.45404(19) 0.11174(13) 0.0321(3) Uani 1 1 d . . . . . H00C H 0.742332 0.466716 0.100246 0.038 Uiso 1 1 calc R U . . . C00D C 0.7429(2) 0.60911(18) 0.28780(12) 0.0302(3) Uani 1 1 d . . . . . C00E C 0.2456(2) 0.4120(2) 0.14625(14) 0.0362(3) Uani 1 1 d . . . . . H00E H 0.120732 0.396796 0.158175 0.043 Uiso 1 1 calc R U . . . C00F C 0.9157(2) 0.6552(2) 0.59666(13) 0.0366(3) Uani 1 1 d . . . . . C00G C 0.6346(2) 0.5319(2) 0.46165(13) 0.0353(3) Uani 1 1 d . . . . . H00G H 0.637069 0.423458 0.438359 0.042 Uiso 1 1 calc R U . . . C00H C 0.7413(3) 0.5498(3) 0.59119(14) 0.0486(5) Uani 1 1 d . . . . . H00A H 0.653066 0.594924 0.632559 0.058 Uiso 1 1 calc R U . . . H00B H 0.786694 0.450232 0.625689 0.058 Uiso 1 1 calc R U . . . C00I C 1.0747(3) 0.6714(3) 0.68655(16) 0.0472(4) Uani 1 1 d . . . . . H00I H 1.174391 0.737819 0.677776 0.057 Uiso 1 1 calc R U . . . C00J C 0.8893(3) 0.7305(2) 0.47971(14) 0.0387(3) Uani 1 1 d . . . . . H00D H 0.834694 0.833806 0.478593 0.046 Uiso 1 1 calc R U . . . H00F H 1.014539 0.736237 0.459436 0.046 Uiso 1 1 calc R U . . . C00K C 0.6545(4) 0.3769(3) -0.1130(2) 0.0614(6) Uani 1 1 d . . . . . H00H H 0.634168 0.349813 -0.193479 0.092 Uiso 1 1 calc R U . . . H00J H 0.777073 0.332499 -0.067611 0.092 Uiso 1 1 calc R U . . . H00K H 0.660636 0.487330 -0.104995 0.092 Uiso 1 1 calc R U . . . C00L C 1.1058(4) 0.5912(3) 0.80089(19) 0.0616(6) Uani 1 1 d . . . . . H00L H 1.029064 0.497582 0.790154 0.092 Uiso 1 1 calc R U . . . H00M H 1.063945 0.657470 0.854317 0.092 Uiso 1 1 calc R U . . . H00N H 1.244269 0.566805 0.831719 0.092 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 O001 0.0288(5) 0.0551(7) 0.0287(5) 0.0045(5) 0.0088(4) -0.0082(5) O2 0.0389(6) 0.0576(7) 0.0383(6) -0.0160(6) 0.0188(5) -0.0099(5) O003 0.0330(6) 0.0650(8) 0.0369(6) -0.0166(6) 0.0128(5) -0.0115(5) N004 0.0251(6) 0.0546(8) 0.0338(6) -0.0074(6) 0.0111(5) 0.0009(5) O005 0.0481(7) 0.0937(12) 0.0439(7) -0.0233(8) 0.0184(6) 0.0059(8) N6 0.0306(6) 0.0504(8) 0.0261(5) 0.0003(5) 0.0086(4) -0.0090(5) C007 0.0290(6) 0.0397(7) 0.0303(7) -0.0023(6) 0.0115(5) 0.0004(5) C008 0.0274(6) 0.0400(7) 0.0281(6) -0.0018(5) 0.0101(5) 0.0007(5) C009 0.0246(6) 0.0372(7) 0.0272(6) 0.0001(5) 0.0075(5) 0.0001(5) C00A 0.0285(6) 0.0419(8) 0.0313(7) -0.0038(6) 0.0092(5) -0.0025(6) C00B 0.0332(7) 0.0475(8) 0.0335(7) -0.0057(6) 0.0146(6) -0.0045(6) C00C 0.0255(6) 0.0415(7) 0.0309(6) -0.0012(6) 0.0105(5) -0.0003(5) C00D 0.0246(6) 0.0402(7) 0.0262(6) 0.0032(5) 0.0078(5) 0.0002(5) C00E 0.0255(6) 0.0519(9) 0.0332(7) -0.0058(6) 0.0114(5) -0.0054(6) C00F 0.0370(7) 0.0447(8) 0.0282(6) -0.0029(6) 0.0091(5) 0.0007(6) C00G 0.0317(7) 0.0479(8) 0.0280(6) 0.0026(6) 0.0113(5) -0.0057(6) C00H 0.0426(9) 0.0758(13) 0.0269(7) 0.0063(8) 0.0088(6) -0.0116(9) C00I 0.0459(9) 0.0563(11) 0.0341(8) -0.0029(8) 0.0021(7) -0.0081(8) C00J 0.0392(8) 0.0464(8) 0.0297(7) -0.0023(6) 0.0078(6) -0.0092(6) C00K 0.0597(12) 0.0835(16) 0.0530(11) -0.0229(11) 0.0358(10) -0.0238(12) C00L 0.0678(14) 0.0701(14) 0.0364(9) 0.0047(9) -0.0035(9) -0.0016(11) 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' loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle_publ_flag C007 O2 C00K 117.71(14) . . ? C00A O003 H3 116(2) . . ? C00B N004 C008 127.61(14) . . ? C00B N004 H4 115.4(18) . . ? C008 N004 H4 116.9(19) . . ? C00D N6 C00J 123.24(13) . . ? C00D N6 C00G 124.05(13) . . ? C00J N6 C00G 112.25(12) . . ? O2 C007 C00C 125.58(13) . . ? O2 C007 C00A 114.96(13) . . ? C00C C007 C00A 119.46(14) . . ? C00E C008 C009 119.64(13) . . ? C00E C008 N004 115.42(13) . . ? C009 C008 N004 124.71(14) . . ? C008 C009 C00C 118.04(13) . . ? C008 C009 C00D 126.06(13) . . ? C00C C009 C00D 115.54(12) . . ? O003 C00A C00E 119.16(13) . . ? O003 C00A C007 121.83(14) . . ? C00E C00A C007 119.01(14) . . ? O005 C00B N004 121.73(16) . . ? O005 C00B C00G 123.61(16) . . ? N004 C00B C00G 114.65(13) . . ? C007 C00C C009 122.11(13) . . ? C007 C00C H00C 118.9 . . ? C009 C00C H00C 118.9 . . ? O001 C00D N6 120.95(14) . . ? O001 C00D C009 120.78(13) . . ? N6 C00D C009 118.27(12) . . ? C00A C00E C008 121.60(14) . . ? C00A C00E H00E 119.2 . . ? C008 C00E H00E 119.2 . . ? C00I C00F C00J 124.67(17) . . ? C00I C00F C00H 126.05(17) . . ? C00J C00F C00H 109.11(13) . . ? N6 C00G C00B 108.10(13) . . ? N6 C00G C00H 105.33(13) . . ? C00B C00G C00H 113.31(14) . . ? N6 C00G H00G 110.0 . . ? C00B C00G H00G 110.0 . . ? C00H C00G H00G 110.0 . . ? C00F C00H C00G 105.72(13) . . ? C00F C00H H00A 110.6 . . ? C00G C00H H00A 110.6 . . ? C00F C00H H00B 110.6 . . ? C00G C00H H00B 110.6 . . ? H00A C00H H00B 108.7 . . ? C00F C00I C00L 124.9(2) . . ? C00F C00I H00I 117.6 . . ? C00L C00I H00I 117.6 . . ? N6 C00J C00F 103.02(13) . . ? N6 C00J H00D 111.2 . . ? C00F C00J H00D 111.2 . . ? N6 C00J H00F 111.2 . . ? C00F C00J H00F 111.2 . . ? H00D C00J H00F 109.1 . . ? O2 C00K H00H 109.5 . . ? O2 C00K H00J 109.5 . . ? H00H C00K H00J 109.5 . . ? O2 C00K H00K 109.5 . . ? H00H C00K H00K 109.5 . . ? H00J C00K H00K 109.5 . . ? C00I C00L H00L 109.5 . . ? C00I C00L H00M 109.5 . . ? H00L C00L H00M 109.5 . . ? C00I C00L H00N 109.5 . . ? H00L C00L H00N 109.5 . . ? H00M C00L H00N 109.5 . . ? loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag O001 C00D 1.2497(17) . ? O2 C007 1.3632(18) . ? O2 C00K 1.411(2) . ? O003 C00A 1.3471(19) . ? O003 H3 0.89(4) . ? N004 C00B 1.354(2) . ? N004 C008 1.4189(19) . ? N004 H4 0.84(3) . ? O005 C00B 1.222(2) . ? N6 C00D 1.3412(18) . ? N6 C00J 1.469(2) . ? N6 C00G 1.4703(19) . ? C007 C00C 1.374(2) . ? C007 C00A 1.409(2) . ? C008 C00E 1.395(2) . ? C008 C009 1.4047(19) . ? C009 C00C 1.4051(19) . ? C009 C00D 1.485(2) . ? C00A C00E 1.382(2) . ? C00B C00G 1.519(2) . ? C00C H00C 0.9300 . ? C00E H00E 0.9300 . ? C00F C00I 1.325(2) . ? C00F C00J 1.505(2) . ? C00F C00H 1.508(3) . ? C00G C00H 1.530(2) . ? C00G H00G 0.9800 . ? C00H H00A 0.9700 . ? C00H H00B 0.9700 . ? C00I C00L 1.493(3) . ? C00I H00I 0.9300 . ? C00J H00D 0.9700 . ? C00J H00F 0.9700 . ? C00K H00H 0.9600 . ? C00K H00J 0.9600 . ? C00K H00K 0.9600 . ? C00L H00L 0.9600 . ? C00L H00M 0.9600 . ? C00L H00N 0.9600 . ?