#------------------------------------------------------------------------------ #$Date: 2020-04-23 23:26:43 +0300 (Thu, 23 Apr 2020) $ #$Revision: 251103 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/55/78/1557888.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_1557888 loop_ _publ_author_name 'Zhou, Jia' 'Gao, Ying' 'Chang, Jin-Ling' 'Yu, Heng-Yi' 'Chen, Juan' 'Zhou, Ming' 'Meng, Xiang-Gao' 'Ruan, Han-Li' _publ_section_title ; Resorcylic Acid Lactones from an Ilyonectria sp. ; _journal_name_full 'Journal of Natural Products' _journal_paper_doi 10.1021/acs.jnatprod.9b01167 _journal_year 2020 _chemical_absolute_configuration ad _chemical_formula_moiety 'C16 H17 Cl O5, H2 O' _chemical_formula_sum 'C16 H19 Cl O6' _chemical_formula_weight 342.76 _space_group_crystal_system triclinic _space_group_IT_number 1 _space_group_name_Hall 'P 1' _space_group_name_H-M_alt 'P 1' _atom_sites_solution_hydrogens mixed _atom_sites_solution_primary dual _audit_creation_date 2019-07-29 _audit_creation_method ; Olex2 1.2 (compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506) ; _cell_angle_alpha 69.576(3) _cell_angle_beta 84.021(3) _cell_angle_gamma 68.822(3) _cell_formula_units_Z 2 _cell_length_a 8.6811(3) _cell_length_b 9.5462(2) _cell_length_c 10.9510(4) _cell_measurement_reflns_used 13149 _cell_measurement_temperature 100.01(10) _cell_measurement_theta_max 73.6490 _cell_measurement_theta_min 4.3200 _cell_volume 792.79(5) _computing_cell_refinement 'CrysAlisPro 1.171.39.28b (Rigaku OD, 2015)' _computing_data_collection 'CrysAlisPro 1.171.39.28b (Rigaku OD, 2015)' _computing_data_reduction 'CrysAlisPro 1.171.39.28b (Rigaku OD, 2015)' _computing_molecular_graphics 'Olex2 (Dolomanov et al., 2009)' _computing_publication_material 'Olex2 (Dolomanov et al., 2009)' _computing_structure_refinement 'XL (Sheldrick, 2008)' _computing_structure_solution 'XM (Sheldrick, 2008)' _diffrn_ambient_environment N~2~ _diffrn_ambient_temperature 100.01(10) _diffrn_detector 'CCD plate' _diffrn_measured_fraction_theta_full 0.996 _diffrn_measured_fraction_theta_max 0.981 _diffrn_measurement_details ; List of Runs (angles in degrees, time in seconds): # Type Start End Width t~exp~ \w \q \k \f Frames -------------------------------------------------------------------------- 1 \w -39.00 16.00 0.50 0.50 -- 0.00 -38.00 -30.00 110 2 \w 40.00 80.00 0.50 0.50 -- 0.00 38.00 150.00 80 3 \w -17.00 15.00 0.50 0.50 -- 0.00 38.00 -30.00 64 4 \w 47.00 76.00 0.50 0.50 -- 0.00 38.00 60.00 58 5 \w 32.00 85.00 0.50 0.50 -- 0.00 57.00-120.00 106 6 \w -29.00 -3.00 0.50 0.50 -- 0.00 -82.00 60.00 52 7 \w -17.00 35.00 0.50 0.50 -- 0.00 38.00 150.00 104 8 \w 57.00 86.00 0.50 0.50 -- 0.00 38.00 -30.00 58 9 \w -11.00 38.00 0.50 0.50 -- 0.00 38.00 60.00 98 10 \w -28.00 31.00 0.50 0.50 -- 0.00 -82.00 90.00 118 11 \w -69.00 -43.00 0.50 0.50 -- 0.00 -38.00 -30.00 52 12 \w -21.00 20.00 0.50 0.50 -- 0.00 57.00-120.00 82 13 \w 69.00 95.00 0.50 0.50 -- 94.60 74.00 -94.81 52 14 \w 147.00 183.00 0.50 0.50 -- 94.60 59.00 136.38 72 15 \w 69.00 95.00 0.50 0.50 -- 94.60 67.00-131.19 52 16 \w 71.00 144.00 0.50 0.50 -- 94.60 59.00 136.38 146 17 \w 146.00 175.00 0.50 0.50 -- 94.60 69.00-160.23 58 18 \w 72.00 98.00 0.50 0.50 -- 94.60 58.00 88.70 52 19 \w 66.00 97.00 0.50 0.50 -- 94.60 75.00 4.15 62 20 \w 83.00 122.00 0.50 0.50 -- 94.60 -82.00 -60.00 78 21 \w 68.00 95.00 0.50 0.50 -- 94.60 69.00-160.23 54 22 \w 8.00 71.00 0.50 0.50 -- 94.60 -82.00 -60.00 126 23 \w 71.00 96.00 0.50 0.50 -- 94.60 61.00 120.00 50 24 \w 51.00 126.00 0.50 0.50 -- 94.60 -82.00-150.00 150 25 \w 94.00 122.00 0.50 0.50 -- 94.60 -77.00 30.00 56 26 \w 67.00 92.00 0.50 0.50 -- 94.60 73.00-106.25 50 27 \w 71.00 125.00 0.50 0.50 -- 94.60 61.00 -30.00 108 28 \w 136.00 183.00 0.50 0.50 -- 94.60 61.00 -30.00 94 29 \w 71.00 97.00 0.50 0.50 -- 94.60 61.00 150.00 52 30 \w 76.00 105.00 0.50 0.50 -- 94.60 45.00 60.00 58 31 \w 73.00 132.00 0.50 0.50 -- 94.60 61.00 0.00 118 32 \w 71.00 106.00 0.50 0.50 -- 94.60 60.00 -46.66 70 33 \w 72.00 97.00 0.50 0.50 -- 94.60 56.00 61.38 50 34 \w 78.00 146.00 0.50 0.50 -- 94.60 45.00 90.00 136 35 \w 139.00 167.00 0.50 0.50 -- 94.60 53.00 24.08 56 36 \w 124.00 149.00 0.50 0.50 -- 94.60 75.00 -24.57 50 37 \w 75.00 144.00 0.50 0.50 -- 94.60 45.00 -90.00 138 38 \w 71.00 96.00 0.50 0.50 -- 94.60 61.00-180.00 50 39 \w 77.00 162.00 0.50 0.50 -- 94.60 45.00 120.00 170 40 \w 138.00 164.00 0.50 0.50 -- 94.60 61.00 0.00 52 41 \w 80.00 184.00 0.50 0.50 -- 94.60 45.00-120.00 208 42 \w 73.00 99.00 0.50 0.50 -- 94.60 53.00 24.08 52 43 \w 83.00 123.00 0.50 0.50 -- 94.60 -82.00 -90.00 80 44 \w 74.00 100.00 0.50 0.50 -- 94.60 61.00 60.00 52 45 \w 12.00 75.00 0.50 0.50 -- 94.60 -82.00 -90.00 126 46 \w 124.00 184.00 0.50 0.50 -- 94.60 74.00 -94.81 120 47 \w 78.00 182.00 0.50 0.50 -- 94.60 45.00-150.00 208 48 \w 14.00 120.00 0.50 0.50 -- 94.60 -82.00 0.00 212 49 \w 66.00 91.00 0.50 0.50 -- 94.60 75.00 -24.57 50 50 \w 122.00 182.00 0.50 0.50 -- 94.60 75.00 4.15 120 51 \w 137.00 184.00 0.50 0.50 -- 94.60 71.00 -79.02 94 52 \w 75.00 101.00 0.50 0.50 -- 94.60 45.00-180.00 52 53 \w 156.00 181.00 0.50 0.50 -- 94.60 45.00-180.00 50 54 \w 41.00 67.00 0.50 0.50 -- 94.60 -82.00 90.00 52 55 \w 87.00 119.00 0.50 0.50 -- 94.60 -82.00 90.00 64 56 \w 67.00 95.00 0.50 0.50 -- 94.60 71.00 -79.02 56 ; _diffrn_measurement_device 'four-circle diffractometer' _diffrn_measurement_device_type 'XtaLAB AFC12 (RINC): Kappa single' _diffrn_measurement_method '\w scans' _diffrn_orient_matrix_type 'CrysAlisPro convention (1999,Acta A55,543-557)' _diffrn_orient_matrix_UB_11 0.1531080000 _diffrn_orient_matrix_UB_12 0.0506278000 _diffrn_orient_matrix_UB_13 -0.0333039000 _diffrn_orient_matrix_UB_21 -0.0014683000 _diffrn_orient_matrix_UB_22 -0.0085435000 _diffrn_orient_matrix_UB_23 -0.1377594000 _diffrn_orient_matrix_UB_31 -0.1131317000 _diffrn_orient_matrix_UB_32 0.1764108000 _diffrn_orient_matrix_UB_33 -0.0496150000 _diffrn_radiation_monochromator graphite _diffrn_radiation_probe x-ray _diffrn_radiation_type CuK\a _diffrn_radiation_wavelength 1.54184 _diffrn_reflns_av_R_equivalents 0.0219 _diffrn_reflns_av_unetI/netI 0.0228 _diffrn_reflns_Laue_measured_fraction_full 0.996 _diffrn_reflns_Laue_measured_fraction_max 0.981 _diffrn_reflns_limit_h_max 10 _diffrn_reflns_limit_h_min -10 _diffrn_reflns_limit_k_max 11 _diffrn_reflns_limit_k_min -11 _diffrn_reflns_limit_l_max 13 _diffrn_reflns_limit_l_min -13 _diffrn_reflns_number 14972 _diffrn_reflns_point_group_measured_fraction_full 0.920 _diffrn_reflns_point_group_measured_fraction_max 0.891 _diffrn_reflns_theta_full 67.684 _diffrn_reflns_theta_max 74.043 _diffrn_reflns_theta_min 4.309 _diffrn_source 'fine-focus sealed X-ray tube' _diffrn_source_type 'Enhance (Cu) X-ray Source' _exptl_absorpt_coefficient_mu 2.400 _exptl_absorpt_correction_T_max 1.00000 _exptl_absorpt_correction_T_min 0.43602 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details ; CrysAlisPro 1.171.39.28b (Rigaku Oxford Diffraction, 2015) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm. ; _exptl_crystal_colour colourless _exptl_crystal_colour_primary colourless _exptl_crystal_density_diffrn 1.436 _exptl_crystal_description block _exptl_crystal_F_000 360 _exptl_crystal_size_max 0.25 _exptl_crystal_size_mid 0.15 _exptl_crystal_size_min 0.1 _refine_diff_density_max 0.190 _refine_diff_density_min -0.201 _refine_diff_density_rms 0.039 _refine_ls_abs_structure_details ; Flack x determined using 2512 quotients [(I+)-(I-)]/[(I+)+(I-)] (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259). ; _refine_ls_abs_structure_Flack -0.001(5) _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.067 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 429 _refine_ls_number_reflns 5745 _refine_ls_number_restraints 3 _refine_ls_restrained_S_all 1.066 _refine_ls_R_factor_all 0.0252 _refine_ls_R_factor_gt 0.0251 _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^)+(0.0424P)^2^+0.1528P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0680 _refine_ls_wR_factor_ref 0.0681 _reflns_Friedel_coverage 0.816 _reflns_Friedel_fraction_full 0.843 _reflns_Friedel_fraction_max 0.801 _reflns_number_gt 5701 _reflns_number_total 5745 _reflns_threshold_expression 'I > 2\s(I)' _iucr_refine_instructions_details ; 20190628_zbf-133.res created by SHELXL-2014/7 TITL 20190628_ZBF-133 in P1 #1 REM TRY 36 FINAL CC 76.09 TIME 1 SECS REM Fragments: 21 19 1 1 1 REM reset to P1 #1 CELL 1.54184 8.681059 9.546206 10.951007 69.5761 84.0205 68.8218 ZERR 2 0.000262 0.000245 0.000375 0.0027 0.0027 0.0026 LATT -1 SFAC C H Cl O UNIT 32 38 2 12 L.S. 10 0 0 PLAN 40 SIZE 0.25 0.15 0.1 bond $H HTAB CONF fmap 2 53 acta REM REM REM WGHT 0.042400 0.152800 FVAR 10.17334 C1 1 0.239624 0.491001 0.914659 11.00000 0.03042 0.02003 = 0.01471 -0.00617 0.00443 -0.01280 AFIX 137 H1A 2 0.122924 0.549173 0.903476 11.00000 -1.50000 H1B 2 0.258424 0.381445 0.965929 11.00000 -1.50000 H1C 2 0.288069 0.497056 0.830907 11.00000 -1.50000 AFIX 0 C2 1 0.317577 0.562451 0.983484 11.00000 0.02172 0.01259 = 0.01474 -0.00225 0.00112 -0.00638 AFIX 13 H2 2 0.437052 0.504538 0.993392 11.00000 -1.20000 AFIX 0 C3 1 0.245133 0.566195 1.116970 11.00000 0.02068 0.01497 = 0.01337 -0.00200 0.00215 -0.00777 AFIX 13 H3 2 0.127996 0.633409 1.105776 11.00000 -1.20000 AFIX 0 C4 1 0.337033 0.634073 1.175353 11.00000 0.02208 0.01794 = 0.01162 -0.00190 -0.00055 -0.00770 AFIX 43 H4 2 0.448575 0.577546 1.196658 11.00000 -1.20000 AFIX 0 C5 1 0.268183 0.769759 1.198160 11.00000 0.02188 0.01994 = 0.01230 -0.00443 0.00275 -0.00944 AFIX 43 H5 2 0.153373 0.812077 1.197076 11.00000 -1.20000 AFIX 0 C6 1 0.361208 0.861084 1.225750 11.00000 0.02609 0.01906 = 0.01356 -0.00483 0.00165 -0.00960 AFIX 23 H6A 2 0.478926 0.801410 1.230977 11.00000 -1.20000 H6B 2 0.328202 0.877689 1.308458 11.00000 -1.20000 AFIX 0 C7 1 0.322774 1.023669 1.114676 11.00000 0.02796 0.01822 = 0.01503 -0.00628 0.00143 -0.00901 AFIX 23 H7A 2 0.209808 1.090287 1.121941 11.00000 -1.20000 H7B 2 0.394901 1.076255 1.125332 11.00000 -1.20000 AFIX 0 C8 1 0.344369 1.009739 0.980532 11.00000 0.02212 0.01698 = 0.01408 -0.00434 0.00426 -0.00799 AFIX 43 H8 2 0.451148 0.965477 0.954521 11.00000 -1.20000 AFIX 0 C9 1 0.220614 1.056661 0.897387 11.00000 0.02099 0.01551 = 0.01530 -0.00380 0.00333 -0.00736 AFIX 43 H9 2 0.113084 1.087811 0.926480 11.00000 -1.20000 AFIX 0 C10 1 0.245650 1.061796 0.760122 11.00000 0.01955 0.01970 = 0.01394 -0.00390 0.00113 -0.01136 C11 1 0.183947 1.209756 0.663050 11.00000 0.02272 0.01650 = 0.01691 -0.00502 0.00103 -0.01035 C12 1 0.225427 1.233341 0.531513 11.00000 0.02389 0.01955 = 0.01364 -0.00127 -0.00155 -0.01330 C13 1 0.333437 1.106065 0.497484 11.00000 0.02330 0.02303 = 0.01257 -0.00373 0.00182 -0.01204 AFIX 43 H13 2 0.365236 1.120892 0.411448 11.00000 -1.20000 AFIX 0 C14 1 0.394554 0.955774 0.591999 11.00000 0.02027 0.02130 = 0.01557 -0.00655 0.00147 -0.01070 C15 1 0.345007 0.928901 0.723406 11.00000 0.01868 0.01848 = 0.01326 -0.00416 0.00170 -0.00929 C16 1 0.388556 0.759940 0.809105 11.00000 0.01931 0.02039 = 0.01210 -0.00479 0.00207 -0.01057 CL1 3 0.062649 1.376139 0.704302 11.00000 0.03246 0.01480 = 0.01634 -0.00350 -0.00051 -0.00815 O1 4 0.261714 0.406549 1.200537 11.00000 0.03171 0.01762 = 0.01424 -0.00030 0.00021 -0.01286 AFIX 147 H1 2 0.193722 0.378490 1.177927 11.00000 -1.50000 AFIX 0 O2 4 0.160670 1.381615 0.443985 11.00000 0.03316 0.01881 = 0.01285 0.00035 0.00045 -0.01007 AFIX 147 H2A 2 0.197696 1.382200 0.371867 11.00000 -1.50000 AFIX 0 O3 4 0.498234 0.838204 0.550144 11.00000 0.02697 0.02212 = 0.01587 -0.00572 0.00431 -0.00713 AFIX 147 H3A 2 0.538334 0.757829 0.613037 11.00000 -1.50000 AFIX 0 O4 4 0.503247 0.652337 0.785997 11.00000 0.02296 0.01956 = 0.01910 -0.00613 0.00611 -0.00662 O5 4 0.285491 0.731183 0.906240 11.00000 0.02109 0.01252 = 0.01364 -0.00214 0.00314 -0.00679 C1A 1 1.102854 -0.219089 0.537400 11.00000 0.02617 0.01927 = 0.01762 -0.00579 0.00369 -0.00933 AFIX 137 H1AA 2 1.182930 -0.180782 0.555773 11.00000 -1.50000 H1AB 2 1.129267 -0.242071 0.457526 11.00000 -1.50000 H1AC 2 1.104315 -0.314400 0.607303 11.00000 -1.50000 AFIX 0 C2A 1 0.933079 -0.093291 0.524182 11.00000 0.02315 0.02007 = 0.01310 -0.00669 0.00357 -0.01050 AFIX 13 H2AA 2 0.852664 -0.130282 0.500362 11.00000 -1.20000 AFIX 0 C3A 1 0.920501 0.069703 0.424758 11.00000 0.02477 0.01943 = 0.01275 -0.00582 0.00275 -0.01052 AFIX 13 H3AA 2 0.999403 0.106307 0.451241 11.00000 -1.20000 AFIX 0 C4A 1 0.751865 0.188293 0.422104 11.00000 0.02351 0.02349 = 0.01756 -0.00561 -0.00034 -0.01022 AFIX 43 H4A 2 0.662181 0.167722 0.402576 11.00000 -1.20000 AFIX 0 C5A 1 0.724015 0.321249 0.446220 11.00000 0.02636 0.01906 = 0.01588 -0.00267 0.00108 -0.00848 AFIX 43 H5A 2 0.814600 0.351132 0.446973 11.00000 -1.20000 AFIX 0 C6A 1 0.558748 0.428302 0.472523 11.00000 0.02919 0.01710 = 0.01921 -0.00246 -0.00051 -0.00428 AFIX 23 H6AA 2 0.472049 0.395401 0.455484 11.00000 -1.20000 H6AB 2 0.539304 0.537375 0.415976 11.00000 -1.20000 AFIX 0 C7A 1 0.557243 0.417566 0.615625 11.00000 0.03101 0.01586 = 0.01775 -0.00237 0.00198 -0.00070 AFIX 23 H7AA 2 0.638449 0.459285 0.628848 11.00000 -1.20000 H7AB 2 0.449601 0.484990 0.633481 11.00000 -1.20000 AFIX 0 C8A 1 0.593388 0.251730 0.711654 11.00000 0.02523 0.02151 = 0.01995 -0.00227 0.00291 -0.00603 AFIX 43 H8A 2 0.509514 0.208932 0.729366 11.00000 -1.20000 AFIX 0 C9A 1 0.737314 0.163960 0.771944 11.00000 0.02688 0.01866 = 0.01668 -0.00492 0.00162 -0.01147 AFIX 43 H9A 2 0.825373 0.200424 0.745657 11.00000 -1.20000 AFIX 0 C10A 1 0.766831 0.009552 0.879885 11.00000 0.01792 0.01956 = 0.01520 -0.00328 0.00118 -0.00743 C11A 1 0.763454 0.012856 1.005983 11.00000 0.02087 0.01637 = 0.01792 -0.00457 -0.00092 -0.00548 C12A 1 0.775034 -0.121993 1.116010 11.00000 0.01735 0.01822 = 0.01486 -0.00230 -0.00125 -0.00506 C13A 1 0.782282 -0.261260 1.098635 11.00000 0.02061 0.01681 = 0.01487 -0.00181 0.00112 -0.00759 AFIX 43 H13A 2 0.785517 -0.350300 1.170664 11.00000 -1.20000 AFIX 0 C14A 1 0.784728 -0.267968 0.973191 11.00000 0.01699 0.01587 = 0.01734 -0.00367 0.00009 -0.00547 C15A 1 0.787961 -0.136769 0.862717 11.00000 0.01715 0.01810 = 0.01622 -0.00379 0.00115 -0.00641 C16A 1 0.826150 -0.165642 0.736523 11.00000 0.01614 0.01785 = 0.01603 -0.00205 0.00009 -0.00662 CL1A 3 0.734820 0.190492 1.031408 11.00000 0.03698 0.01650 = 0.01858 -0.00483 -0.00223 -0.00809 O1A 4 0.967763 0.050919 0.300010 11.00000 0.03173 0.02138 = 0.01424 -0.00656 0.00461 -0.01315 AFIX 147 H1AD 2 0.899173 0.026517 0.273935 11.00000 -1.50000 AFIX 0 O2A 4 0.774397 -0.108030 1.234197 11.00000 0.03247 0.02037 = 0.01311 -0.00335 -0.00034 -0.00994 AFIX 147 H2AB 2 0.799858 -0.196707 1.290213 11.00000 -1.50000 AFIX 0 O3A 4 0.787865 -0.406918 0.964266 11.00000 0.03138 0.01887 = 0.01617 -0.00425 0.00149 -0.01177 AFIX 147 H3AB 2 0.782029 -0.397368 0.887345 11.00000 -1.50000 AFIX 0 O4A 4 0.813290 -0.280950 0.717656 11.00000 0.02570 0.02171 = 0.01974 -0.00778 0.00361 -0.01291 O5A 4 0.886939 -0.064074 0.648254 11.00000 0.02558 0.01872 = 0.01273 -0.00560 0.00464 -0.01044 AFIX 6 O1W 4 0.843141 0.627574 0.435098 11.00000 0.03836 0.02177 = 0.02329 -0.00323 -0.00162 -0.01065 H1WA 2 0.815461 0.639808 0.508500 11.00000 -1.50000 H1WB 2 0.941139 0.561291 0.441026 11.00000 -1.50000 AFIX 6 O2W 4 0.999592 0.343452 0.162042 11.00000 0.03077 0.01846 = 0.03051 0.00148 -0.00357 -0.01095 H2WA 2 0.932440 0.410451 0.092233 11.00000 -1.50000 H2WB 2 0.991632 0.252132 0.200204 11.00000 -1.50000 AFIX 0 HKLF 4 REM 20190628_ZBF-133 in P1 #1 REM R1 = 0.0251 for 5701 Fo > 4sig(Fo) and 0.0252 for all 5745 data REM 429 parameters refined using 3 restraints END WGHT 0.0424 0.1528 REM Instructions for potential hydrogen bonds EQIV $1 x-1, y, z+1 HTAB O1 O2W_$1 EQIV $2 x, y+1, z-1 HTAB O2 O1_$2 HTAB O3 O4 EQIV $3 x, y+1, z HTAB O3 O4A_$3 EQIV $4 x+1, y-2, z HTAB C1A Cl1_$4 HTAB C1A O4A EQIV $5 x, y, z-1 HTAB O1A Cl1A_$5 HTAB O1A O2A_$5 EQIV $6 x, y-1, z+1 HTAB O2A O1W_$6 EQIV $7 x, y-1, z HTAB O3A O4_$7 HTAB O3A O4A HTAB O1W O4A_$3 EQIV $8 x+1, y-1, z HTAB O1W Cl1_$8 HTAB O1W O2_$8 HTAB O2W O3A_$2 HTAB O2W O1A REM Highest difference peak 0.190, deepest hole -0.201, 1-sigma level 0.039 Q1 1 0.9253 -0.0113 0.4802 11.00000 0.05 0.19 Q2 1 0.7974 0.3735 0.3508 11.00000 0.05 0.17 Q3 1 0.1181 0.8647 1.1623 11.00000 0.05 0.16 Q4 1 0.6415 0.2419 1.1217 11.00000 0.05 0.15 Q5 1 0.7871 -0.1938 0.9210 11.00000 0.05 0.15 Q6 1 0.8482 0.2186 0.4610 11.00000 0.05 0.15 Q7 1 0.2676 0.9924 0.7434 11.00000 0.05 0.15 Q8 1 0.4981 0.5945 1.1562 11.00000 0.05 0.14 Q9 1 -0.0351 1.4592 0.3023 11.00000 0.05 0.14 Q10 1 0.2188 1.1239 0.7178 11.00000 0.05 0.13 Q11 1 0.0415 0.7674 1.1340 11.00000 0.05 0.13 Q12 1 0.7799 -0.0594 0.8675 11.00000 0.05 0.13 Q13 1 0.2629 0.5736 1.0421 11.00000 0.05 0.13 Q14 1 0.2209 1.2189 0.6046 11.00000 0.05 0.13 Q15 1 0.6707 0.0984 0.4123 11.00000 0.05 0.13 Q16 1 0.8515 0.3185 0.5084 11.00000 0.05 0.12 Q17 1 0.7532 -0.2442 1.0317 11.00000 0.05 0.12 Q18 1 1.0397 -0.1223 0.7816 11.00000 0.05 0.12 Q19 1 0.4856 0.8253 1.2956 11.00000 0.05 0.12 Q20 1 -0.0359 1.4546 0.7770 11.00000 0.05 0.12 Q21 1 0.6993 0.4138 0.7836 11.00000 0.05 0.12 Q22 1 -0.0043 1.0629 1.0405 11.00000 0.05 0.12 Q23 1 0.7977 -0.1966 1.1048 11.00000 0.05 0.12 Q24 1 0.3368 0.9469 1.1681 11.00000 0.05 0.12 Q25 1 0.6048 0.2581 0.3466 11.00000 0.05 0.12 Q26 1 1.0216 0.0543 0.7207 11.00000 0.05 0.12 Q27 1 0.2935 1.1787 0.5214 11.00000 0.05 0.12 Q28 1 -0.0846 1.4180 0.6722 11.00000 0.05 0.12 Q29 1 0.4705 0.5840 0.7026 11.00000 0.05 0.12 Q30 1 0.3598 0.9568 0.6628 11.00000 0.05 0.12 Q31 1 0.8951 0.0812 0.8156 11.00000 0.05 0.12 Q32 1 0.5409 0.0319 0.7471 11.00000 0.05 0.12 Q33 1 0.2652 1.1670 1.2218 11.00000 0.05 0.12 Q34 1 0.5740 0.4070 0.5573 11.00000 0.05 0.12 Q35 1 0.8210 0.1340 0.9529 11.00000 0.05 0.12 Q36 1 0.7480 0.0798 1.0166 11.00000 0.05 0.12 Q37 1 0.4346 0.2769 0.7550 11.00000 0.05 0.12 Q38 1 0.1609 1.4277 0.6058 11.00000 0.05 0.12 Q39 1 0.2183 0.7380 0.7991 11.00000 0.05 0.12 Q40 1 0.8366 -0.0816 0.4962 11.00000 0.05 0.11 REM The information below was added by Olex2. REM REM R1 = 0.0251 for 5701 Fo > 4sig(Fo) and 0.0252 for all 14972 data REM n/a parameters refined using n/a restraints REM Highest difference peak 0.19, deepest hole -0.20 REM Mean Shift 0, Max Shift 0.000. REM +++ Tabular Listing of Refinement Information +++ REM R1_all = 0.0252 REM R1_gt = 0.0251 REM wR_ref = 0.0681 REM GOOF = 1.067 REM Shift_max = 0.000 REM Shift_mean = 0 REM Reflections_all = 14972 REM Reflections_gt = 5701 REM Parameters = n/a REM Hole = -0.20 REM Peak = 0.19 REM Flack = -0.001(5) ; _cod_data_source_file np9b01167_si_012.cif _cod_data_source_block 20190628_zbf-133 _cod_original_cell_volume 792.78(5) _cod_database_code 1557888 _shelx_shelxl_version_number 2014/7 _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_max 0.795 _shelx_estimated_absorpt_t_min 0.585 _reflns_odcompleteness_completeness 99.72 _reflns_odcompleteness_iscentric 1 _reflns_odcompleteness_theta 66.97 _olex2_refinement_description ; 1. Fixed Uiso At 1.2 times of: All C(H) groups, All C(H,H) groups At 1.5 times of: All C(H,H,H) groups, All O(H) groups, All O(H,H) groups 2.a Free rotating group: O1W(H1WA,H1WB), O2W(H2WA,H2WB) 2.b Ternary CH refined with riding coordinates: C2(H2), C3(H3), C2A(H2AA), C3A(H3AA) 2.c Secondary CH2 refined with riding coordinates: C6(H6A,H6B), C7(H7A,H7B), C6A(H6AA,H6AB), C7A(H7AA,H7AB) 2.d Aromatic/amide H refined with riding coordinates: C4(H4), C5(H5), C8(H8), C9(H9), C13(H13), C4A(H4A), C5A(H5A), C8A(H8A), C9A(H9A), C13A(H13A) 2.e Idealised Me refined as rotating group: C1(H1A,H1B,H1C), C1A(H1AA,H1AB,H1AC) 2.f Idealised tetrahedral OH refined as rotating group: O1(H1), O2(H2A), O3(H3A), O1A(H1AD), O2A(H2AB), O3A(H3AB) ; _olex2_submission_special_instructions 'No special instructions were received' _oxdiff_exptl_absorpt_empirical_details ; Empirical correction (ABSPACK) includes: - Absorption correction using spherical harmonics - Frame scaling ; _oxdiff_exptl_absorpt_empirical_full_max 2.056 _oxdiff_exptl_absorpt_empirical_full_min 0.757 loop_ _space_group_symop_operation_xyz 'x, y, z' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_site_symmetry_order _atom_site_calc_flag _atom_site_refinement_flags_posn _atom_site_refinement_flags_adp _atom_site_refinement_flags_occupancy _atom_site_disorder_assembly _atom_site_disorder_group C1 C 0.2396(3) 0.4910(3) 0.9147(2) 0.0208(5) Uani 1 1 d . . . . . H1A H 0.1229 0.5492 0.9035 0.031 Uiso 1 1 calc GR . . . . H1B H 0.2584 0.3814 0.9659 0.031 Uiso 1 1 calc GR . . . . H1C H 0.2881 0.4971 0.8309 0.031 Uiso 1 1 calc GR . . . . C2 C 0.3176(3) 0.5625(3) 0.9835(2) 0.0169(4) Uani 1 1 d . . . . . H2 H 0.4371 0.5045 0.9934 0.020 Uiso 1 1 calc R . . . . C3 C 0.2451(3) 0.5662(3) 1.1170(2) 0.0168(4) Uani 1 1 d . . . . . H3 H 0.1280 0.6334 1.1058 0.020 Uiso 1 1 calc R . . . . C4 C 0.3370(3) 0.6341(3) 1.1754(2) 0.0178(4) Uani 1 1 d . . . . . H4 H 0.4486 0.5775 1.1967 0.021 Uiso 1 1 calc R . . . . C5 C 0.2682(3) 0.7698(3) 1.1982(2) 0.0179(5) Uani 1 1 d . . . . . H5 H 0.1534 0.8121 1.1971 0.021 Uiso 1 1 calc R . . . . C6 C 0.3612(3) 0.8611(3) 1.2258(2) 0.0193(5) Uani 1 1 d . . . . . H6A H 0.4789 0.8014 1.2310 0.023 Uiso 1 1 calc R . . . . H6B H 0.3282 0.8777 1.3085 0.023 Uiso 1 1 calc R . . . . C7 C 0.3228(3) 1.0237(3) 1.1147(2) 0.0200(5) Uani 1 1 d . . . . . H7A H 0.2098 1.0903 1.1219 0.024 Uiso 1 1 calc R . . . . H7B H 0.3949 1.0763 1.1253 0.024 Uiso 1 1 calc R . . . . C8 C 0.3444(3) 1.0097(3) 0.9805(2) 0.0179(4) Uani 1 1 d . . . . . H8 H 0.4511 0.9655 0.9545 0.022 Uiso 1 1 calc R . . . . C9 C 0.2206(3) 1.0567(3) 0.8974(2) 0.0176(4) Uani 1 1 d . . . . . H9 H 0.1131 1.0878 0.9265 0.021 Uiso 1 1 calc R . . . . C10 C 0.2457(3) 1.0618(3) 0.7601(2) 0.0169(4) Uani 1 1 d . . . . . C11 C 0.1839(3) 1.2098(3) 0.6631(2) 0.0179(4) Uani 1 1 d . . . . . C12 C 0.2254(3) 1.2333(3) 0.5315(2) 0.0184(5) Uani 1 1 d . . . . . C13 C 0.3334(3) 1.1061(3) 0.4975(2) 0.0192(5) Uani 1 1 d . . . . . H13 H 0.3652 1.1209 0.4114 0.023 Uiso 1 1 calc R . . . . C14 C 0.3946(3) 0.9558(3) 0.5920(2) 0.0180(5) Uani 1 1 d . . . . . C15 C 0.3450(3) 0.9289(3) 0.7234(2) 0.0164(4) Uani 1 1 d . . . . . C16 C 0.3886(3) 0.7599(3) 0.8091(2) 0.0165(4) Uani 1 1 d . . . . . Cl1 Cl 0.06265(6) 1.37614(6) 0.70430(5) 0.02162(12) Uani 1 1 d . . . . . O1 O 0.2617(2) 0.4065(2) 1.20054(15) 0.0213(3) Uani 1 1 d . . . . . H1 H 0.1937 0.3785 1.1779 0.032 Uiso 1 1 calc GR . . . . O2 O 0.1607(2) 1.3816(2) 0.44398(16) 0.0229(4) Uani 1 1 d . . . . . H2A H 0.1977 1.3822 0.3719 0.034 Uiso 1 1 calc GR . . . . O3 O 0.4982(2) 0.8382(2) 0.55014(16) 0.0226(4) Uani 1 1 d . . . . . H3A H 0.5383 0.7578 0.6130 0.034 Uiso 1 1 calc GR . . . . O4 O 0.5032(2) 0.6523(2) 0.78600(15) 0.0213(3) Uani 1 1 d . . . . . O5 O 0.28549(19) 0.73118(19) 0.90624(14) 0.0163(3) Uani 1 1 d . . . . . C1A C 1.1029(3) -0.2191(3) 0.5374(2) 0.0210(5) Uani 1 1 d . . . . . H1AA H 1.1829 -0.1808 0.5558 0.031 Uiso 1 1 calc GR . . . . H1AB H 1.1293 -0.2421 0.4575 0.031 Uiso 1 1 calc GR . . . . H1AC H 1.1043 -0.3144 0.6073 0.031 Uiso 1 1 calc GR . . . . C2A C 0.9331(3) -0.0933(3) 0.5242(2) 0.0178(5) Uani 1 1 d . . . . . H2AA H 0.8527 -0.1303 0.5004 0.021 Uiso 1 1 calc R . . . . C3A C 0.9205(3) 0.0697(3) 0.4248(2) 0.0182(4) Uani 1 1 d . . . . . H3AA H 0.9994 0.1063 0.4512 0.022 Uiso 1 1 calc R . . . . C4A C 0.7519(3) 0.1883(3) 0.4221(2) 0.0212(5) Uani 1 1 d . . . . . H4A H 0.6622 0.1677 0.4026 0.025 Uiso 1 1 calc R . . . . C5A C 0.7240(3) 0.3212(3) 0.4462(2) 0.0212(5) Uani 1 1 d . . . . . H5A H 0.8146 0.3511 0.4470 0.025 Uiso 1 1 calc R . . . . C6A C 0.5587(3) 0.4283(3) 0.4725(2) 0.0239(5) Uani 1 1 d . . . . . H6AA H 0.4720 0.3954 0.4555 0.029 Uiso 1 1 calc R . . . . H6AB H 0.5393 0.5374 0.4160 0.029 Uiso 1 1 calc R . . . . C7A C 0.5572(3) 0.4176(3) 0.6156(2) 0.0248(5) Uani 1 1 d . . . . . H7AA H 0.6384 0.4593 0.6288 0.030 Uiso 1 1 calc R . . . . H7AB H 0.4496 0.4850 0.6335 0.030 Uiso 1 1 calc R . . . . C8A C 0.5934(3) 0.2517(3) 0.7117(2) 0.0244(5) Uani 1 1 d . . . . . H8A H 0.5095 0.2089 0.7294 0.029 Uiso 1 1 calc R . . . . C9A C 0.7373(3) 0.1640(3) 0.7719(2) 0.0201(5) Uani 1 1 d . . . . . H9A H 0.8254 0.2004 0.7457 0.024 Uiso 1 1 calc R . . . . C10A C 0.7668(3) 0.0096(3) 0.8799(2) 0.0181(4) Uani 1 1 d . . . . . C11A C 0.7635(3) 0.0129(3) 1.0060(2) 0.0189(4) Uani 1 1 d . . . . . C12A C 0.7750(3) -0.1220(3) 1.1160(2) 0.0179(4) Uani 1 1 d . . . . . C13A C 0.7823(3) -0.2613(3) 1.0986(2) 0.0182(4) Uani 1 1 d . . . . . H13A H 0.7855 -0.3503 1.1707 0.022 Uiso 1 1 calc R . . . . C14A C 0.7847(3) -0.2680(3) 0.9732(2) 0.0173(4) Uani 1 1 d . . . . . C15A C 0.7880(3) -0.1368(3) 0.8627(2) 0.0177(4) Uani 1 1 d . . . . . C16A C 0.8261(3) -0.1656(3) 0.7365(2) 0.0175(4) Uani 1 1 d . . . . . Cl1A Cl 0.73482(7) 0.19049(6) 1.03141(5) 0.02445(13) Uani 1 1 d . . . . . O1A O 0.9678(2) 0.0509(2) 0.30001(15) 0.0215(3) Uani 1 1 d . . . . . H1AD H 0.8992 0.0265 0.2739 0.032 Uiso 1 1 calc GR . . . . O2A O 0.7744(2) -0.1080(2) 1.23420(15) 0.0223(3) Uani 1 1 d . . . . . H2AB H 0.7999 -0.1967 1.2902 0.034 Uiso 1 1 calc GR . . . . O3A O 0.7879(2) -0.4069(2) 0.96427(15) 0.0218(4) Uani 1 1 d . . . . . H3AB H 0.7820 -0.3974 0.8873 0.033 Uiso 1 1 calc GR . . . . O4A O 0.8133(2) -0.2810(2) 0.71766(16) 0.0210(3) Uani 1 1 d . . . . . O5A O 0.8869(2) -0.0641(2) 0.64825(15) 0.0184(3) Uani 1 1 d . . . . . O1W O 0.8431(2) 0.6276(2) 0.43510(17) 0.0288(4) Uani 1 1 d . . . . . H1WA H 0.8155 0.6398 0.5085 0.043 Uiso 1 1 d G . . . . H1WB H 0.9411 0.5613 0.4410 0.043 Uiso 1 1 d G . . . . O2W O 0.9996(2) 0.3435(2) 0.16204(18) 0.0283(4) Uani 1 1 d . . . . . H2WA H 0.9324 0.4105 0.0922 0.042 Uiso 1 1 d G . . . . H2WB H 0.9916 0.2521 0.2002 0.042 Uiso 1 1 d G . . . . 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 C1 0.0304(12) 0.0200(12) 0.0147(10) -0.0062(9) 0.0044(9) -0.0128(11) C2 0.0217(10) 0.0126(11) 0.0147(10) -0.0023(8) 0.0011(8) -0.0064(9) C3 0.0207(11) 0.0150(12) 0.0134(10) -0.0020(8) 0.0022(8) -0.0078(9) C4 0.0221(11) 0.0179(12) 0.0116(9) -0.0019(8) -0.0005(8) -0.0077(10) C5 0.0219(11) 0.0199(13) 0.0123(9) -0.0044(9) 0.0028(8) -0.0094(10) C6 0.0261(11) 0.0191(12) 0.0136(10) -0.0048(9) 0.0017(8) -0.0096(10) C7 0.0280(11) 0.0182(13) 0.0150(10) -0.0063(9) 0.0014(8) -0.0090(10) C8 0.0221(11) 0.0170(12) 0.0141(10) -0.0043(9) 0.0043(8) -0.0080(10) C9 0.0210(11) 0.0155(12) 0.0153(10) -0.0038(9) 0.0033(8) -0.0074(9) C10 0.0196(10) 0.0197(12) 0.0139(10) -0.0039(8) 0.0011(8) -0.0114(9) C11 0.0227(11) 0.0165(12) 0.0169(10) -0.0050(9) 0.0010(8) -0.0103(10) C12 0.0239(11) 0.0196(13) 0.0136(10) -0.0013(9) -0.0015(8) -0.0133(10) C13 0.0233(11) 0.0230(13) 0.0126(10) -0.0037(9) 0.0018(8) -0.0120(10) C14 0.0203(11) 0.0213(13) 0.0156(10) -0.0065(9) 0.0015(8) -0.0107(10) C15 0.0187(10) 0.0185(12) 0.0133(10) -0.0042(8) 0.0017(8) -0.0093(9) C16 0.0193(10) 0.0204(12) 0.0121(9) -0.0048(9) 0.0021(8) -0.0106(10) Cl1 0.0325(3) 0.0148(3) 0.0163(2) -0.00350(19) -0.0005(2) -0.0081(2) O1 0.0317(9) 0.0176(9) 0.0142(7) -0.0003(6) 0.0002(6) -0.0129(7) O2 0.0332(9) 0.0188(9) 0.0129(7) 0.0003(6) 0.0005(6) -0.0101(8) O3 0.0270(9) 0.0221(9) 0.0159(8) -0.0057(7) 0.0043(6) -0.0071(8) O4 0.0230(8) 0.0196(9) 0.0191(8) -0.0061(7) 0.0061(6) -0.0066(7) O5 0.0211(7) 0.0125(8) 0.0136(7) -0.0021(6) 0.0031(6) -0.0068(7) C1A 0.0262(12) 0.0193(12) 0.0176(11) -0.0058(9) 0.0037(9) -0.0093(10) C2A 0.0231(11) 0.0201(13) 0.0131(10) -0.0067(9) 0.0036(8) -0.0105(10) C3A 0.0248(11) 0.0194(12) 0.0128(10) -0.0058(9) 0.0027(8) -0.0105(10) C4A 0.0235(11) 0.0235(13) 0.0176(10) -0.0056(9) -0.0003(8) -0.0102(10) C5A 0.0264(12) 0.0191(13) 0.0159(10) -0.0027(9) 0.0011(9) -0.0085(10) C6A 0.0292(12) 0.0171(13) 0.0192(11) -0.0025(9) -0.0005(9) -0.0043(10) C7A 0.0310(12) 0.0159(12) 0.0178(11) -0.0024(9) 0.0020(9) -0.0007(10) C8A 0.0252(12) 0.0215(14) 0.0200(11) -0.0023(10) 0.0029(9) -0.0060(11) C9A 0.0269(12) 0.0187(13) 0.0167(10) -0.0049(9) 0.0016(9) -0.0115(10) C10A 0.0179(10) 0.0196(12) 0.0152(10) -0.0033(9) 0.0012(8) -0.0074(9) C11A 0.0209(11) 0.0164(12) 0.0179(11) -0.0046(9) -0.0009(8) -0.0055(10) C12A 0.0173(10) 0.0182(12) 0.0149(10) -0.0023(9) -0.0012(8) -0.0051(9) C13A 0.0206(11) 0.0168(12) 0.0149(10) -0.0018(8) 0.0011(8) -0.0076(9) C14A 0.0170(10) 0.0159(12) 0.0173(10) -0.0037(9) 0.0001(8) -0.0055(9) C15A 0.0171(10) 0.0181(12) 0.0162(10) -0.0038(9) 0.0012(8) -0.0064(9) C16A 0.0161(10) 0.0178(12) 0.0160(10) -0.0020(9) 0.0001(8) -0.0066(9) Cl1A 0.0370(3) 0.0165(3) 0.0186(2) -0.0048(2) -0.0022(2) -0.0081(2) O1A 0.0317(9) 0.0214(9) 0.0142(7) -0.0066(6) 0.0046(6) -0.0132(8) O2A 0.0325(9) 0.0204(9) 0.0131(7) -0.0034(6) -0.0003(6) -0.0099(8) O3A 0.0314(9) 0.0189(9) 0.0162(8) -0.0043(7) 0.0015(7) -0.0118(8) O4A 0.0257(8) 0.0217(9) 0.0197(8) -0.0078(7) 0.0036(6) -0.0129(7) O5A 0.0256(8) 0.0187(9) 0.0127(7) -0.0056(6) 0.0046(6) -0.0104(7) O1W 0.0384(10) 0.0218(10) 0.0233(8) -0.0032(7) -0.0016(7) -0.0107(9) O2W 0.0308(10) 0.0185(10) 0.0305(9) 0.0015(7) -0.0036(7) -0.0110(8) loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle_publ_flag H1A C1 H1B 109.5 . . ? H1A C1 H1C 109.5 . . ? H1B C1 H1C 109.5 . . ? C2 C1 H1A 109.5 . . ? C2 C1 H1B 109.5 . . ? C2 C1 H1C 109.5 . . ? C1 C2 H2 109.6 . . ? C1 C2 C3 114.52(18) . . ? C3 C2 H2 109.6 . . ? O5 C2 C1 109.39(18) . . ? O5 C2 H2 109.6 . . ? O5 C2 C3 104.07(17) . . ? C2 C3 H3 109.5 . . ? C4 C3 C2 108.72(17) . . ? C4 C3 H3 109.5 . . ? O1 C3 C2 109.43(18) . . ? O1 C3 H3 109.5 . . ? O1 C3 C4 110.11(18) . . ? C3 C4 H4 118.3 . . ? C5 C4 C3 123.4(2) . . ? C5 C4 H4 118.3 . . ? C4 C5 H5 117.6 . . ? C4 C5 C6 124.8(2) . . ? C6 C5 H5 117.6 . . ? C5 C6 H6A 109.9 . . ? C5 C6 H6B 109.9 . . ? C5 C6 C7 108.73(18) . . ? H6A C6 H6B 108.3 . . ? C7 C6 H6A 109.9 . . ? C7 C6 H6B 109.9 . . ? C6 C7 H7A 108.9 . . ? C6 C7 H7B 108.9 . . ? H7A C7 H7B 107.7 . . ? C8 C7 C6 113.43(19) . . ? C8 C7 H7A 108.9 . . ? C8 C7 H7B 108.9 . . ? C7 C8 H8 118.0 . . ? C9 C8 C7 124.0(2) . . ? C9 C8 H8 118.0 . . ? C8 C9 H9 118.5 . . ? C8 C9 C10 123.0(2) . . ? C10 C9 H9 118.5 . . ? C11 C10 C9 117.5(2) . . ? C11 C10 C15 118.52(19) . . ? C15 C10 C9 123.5(2) . . ? C10 C11 C12 122.2(2) . . ? C10 C11 Cl1 119.91(17) . . ? C12 C11 Cl1 117.73(18) . . ? C13 C12 C11 119.1(2) . . ? O2 C12 C11 118.1(2) . . ? O2 C12 C13 122.8(2) . . ? C12 C13 H13 120.0 . . ? C12 C13 C14 120.0(2) . . ? C14 C13 H13 120.0 . . ? C13 C14 C15 121.2(2) . . ? O3 C14 C13 116.11(19) . . ? O3 C14 C15 122.7(2) . . ? C10 C15 C14 118.5(2) . . ? C10 C15 C16 124.74(19) . . ? C14 C15 C16 116.4(2) . . ? O4 C16 C15 122.20(19) . . ? O4 C16 O5 122.0(2) . . ? O5 C16 C15 115.48(19) . . ? C3 O1 H1 109.5 . . ? C12 O2 H2A 109.5 . . ? C14 O3 H3A 109.5 . . ? C16 O5 C2 115.95(18) . . ? H1AA C1A H1AB 109.5 . . ? H1AA C1A H1AC 109.5 . . ? H1AB C1A H1AC 109.5 . . ? C2A C1A H1AA 109.5 . . ? C2A C1A H1AB 109.5 . . ? C2A C1A H1AC 109.5 . . ? C1A C2A H2AA 109.2 . . ? C1A C2A C3A 114.17(18) . . ? C3A C2A H2AA 109.2 . . ? O5A C2A C1A 110.03(18) . . ? O5A C2A H2AA 109.2 . . ? O5A C2A C3A 104.87(17) . . ? C2A C3A H3AA 108.2 . . ? C4A C3A C2A 110.74(19) . . ? C4A C3A H3AA 108.2 . . ? O1A C3A C2A 108.47(18) . . ? O1A C3A H3AA 108.2 . . ? O1A C3A C4A 112.88(19) . . ? C3A C4A H4A 118.6 . . ? C5A C4A C3A 122.9(2) . . ? C5A C4A H4A 118.6 . . ? C4A C5A H5A 117.2 . . ? C4A C5A C6A 125.5(2) . . ? C6A C5A H5A 117.2 . . ? C5A C6A H6AA 110.0 . . ? C5A C6A H6AB 110.0 . . ? C5A C6A C7A 108.5(2) . . ? H6AA C6A H6AB 108.4 . . ? C7A C6A H6AA 110.0 . . ? C7A C6A H6AB 110.0 . . ? C6A C7A H7AA 108.7 . . ? C6A C7A H7AB 108.7 . . ? H7AA C7A H7AB 107.6 . . ? C8A C7A C6A 114.3(2) . . ? C8A C7A H7AA 108.7 . . ? C8A C7A H7AB 108.7 . . ? C7A C8A H8A 118.3 . . ? C9A C8A C7A 123.5(2) . . ? C9A C8A H8A 118.3 . . ? C8A C9A H9A 118.2 . . ? C8A C9A C10A 123.5(2) . . ? C10A C9A H9A 118.2 . . ? C11A C10A C9A 116.9(2) . . ? C11A C10A C15A 118.5(2) . . ? C15A C10A C9A 124.5(2) . . ? C10A C11A C12A 122.2(2) . . ? C10A C11A Cl1A 120.00(18) . . ? C12A C11A Cl1A 117.73(17) . . ? C13A C12A C11A 119.0(2) . . ? O2A C12A C11A 117.9(2) . . ? O2A C12A C13A 123.1(2) . . ? C12A C13A H13A 120.0 . . ? C12A C13A C14A 120.1(2) . . ? C14A C13A H13A 120.0 . . ? C13A C14A C15A 120.9(2) . . ? O3A C14A C13A 116.5(2) . . ? O3A C14A C15A 122.6(2) . . ? C10A C15A C16A 124.1(2) . . ? C14A C15A C10A 118.8(2) . . ? C14A C15A C16A 117.0(2) . . ? O4A C16A C15A 122.8(2) . . ? O4A C16A O5A 122.3(2) . . ? O5A C16A C15A 114.71(19) . . ? C3A O1A H1AD 109.5 . . ? C12A O2A H2AB 109.5 . . ? C14A O3A H3AB 109.5 . . ? C16A O5A C2A 116.22(17) . . ? H1WA O1W H1WB 109.5 . . ? H2WA O2W H2WB 118.2 . . ? 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 C1 H1A 0.9600 . ? C1 H1B 0.9600 . ? C1 H1C 0.9600 . ? C1 C2 1.513(3) . ? C2 H2 0.9800 . ? C2 C3 1.537(3) . ? C2 O5 1.470(3) . ? C3 H3 0.9800 . ? C3 C4 1.495(3) . ? C3 O1 1.441(3) . ? C4 H4 0.9300 . ? C4 C5 1.316(3) . ? C5 H5 0.9300 . ? C5 C6 1.499(3) . ? C6 H6A 0.9700 . ? C6 H6B 0.9700 . ? C6 C7 1.547(3) . ? C7 H7A 0.9700 . ? C7 H7B 0.9700 . ? C7 C8 1.507(3) . ? C8 H8 0.9300 . ? C8 C9 1.325(3) . ? C9 H9 0.9300 . ? C9 C10 1.482(3) . ? C10 C11 1.391(3) . ? C10 C15 1.417(3) . ? C11 C12 1.407(3) . ? C11 Cl1 1.740(2) . ? C12 C13 1.384(3) . ? C12 O2 1.352(3) . ? C13 H13 0.9300 . ? C13 C14 1.393(3) . ? C14 C15 1.419(3) . ? C14 O3 1.350(3) . ? C15 C16 1.484(3) . ? C16 O4 1.225(3) . ? C16 O5 1.335(3) . ? O1 H1 0.8200 . ? O2 H2A 0.8200 . ? O3 H3A 0.8200 . ? C1A H1AA 0.9600 . ? C1A H1AB 0.9600 . ? C1A H1AC 0.9600 . ? C1A C2A 1.510(3) . ? C2A H2AA 0.9800 . ? C2A C3A 1.529(3) . ? C2A O5A 1.468(2) . ? C3A H3AA 0.9800 . ? C3A C4A 1.488(3) . ? C3A O1A 1.438(2) . ? C4A H4A 0.9300 . ? C4A C5A 1.318(3) . ? C5A H5A 0.9300 . ? C5A C6A 1.499(3) . ? C6A H6AA 0.9700 . ? C6A H6AB 0.9700 . ? C6A C7A 1.533(3) . ? C7A H7AA 0.9700 . ? C7A H7AB 0.9700 . ? C7A C8A 1.503(3) . ? C8A H8A 0.9300 . ? C8A C9A 1.315(3) . ? C9A H9A 0.9300 . ? C9A C10A 1.487(3) . ? C10A C11A 1.389(3) . ? C10A C15A 1.418(3) . ? C11A C12A 1.403(3) . ? C11A Cl1A 1.739(2) . ? C12A C13A 1.386(3) . ? C12A O2A 1.346(3) . ? C13A H13A 0.9300 . ? C13A C14A 1.395(3) . ? C14A C15A 1.412(3) . ? C14A O3A 1.354(3) . ? C15A C16A 1.483(3) . ? C16A O4A 1.233(3) . ? C16A O5A 1.328(3) . ? O1A H1AD 0.8200 . ? O2A H2AB 0.8200 . ? O3A H3AB 0.8200 . ? O1W H1WA 0.8500 . ? O1W H1WB 0.8498 . ? O2W H2WA 0.9031 . ? O2W H2WB 0.8501 . ? 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 _geom_torsion_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion_publ_flag C1 C2 C3 C4 178.1(2) . . . . ? C1 C2 C3 O1 57.8(3) . . . . ? C1 C2 O5 C16 -83.3(2) . . . . ? C2 C3 C4 C5 115.3(2) . . . . ? C3 C2 O5 C16 153.92(18) . . . . ? C3 C4 C5 C6 -164.6(2) . . . . ? C4 C5 C6 C7 116.0(3) . . . . ? C5 C6 C7 C8 -50.2(3) . . . . ? C6 C7 C8 C9 110.0(3) . . . . ? C7 C8 C9 C10 171.6(2) . . . . ? C8 C9 C10 C11 -117.4(3) . . . . ? C8 C9 C10 C15 54.7(3) . . . . ? C9 C10 C11 C12 168.45(19) . . . . ? C9 C10 C11 Cl1 -7.0(3) . . . . ? C9 C10 C15 C14 -164.2(2) . . . . ? C9 C10 C15 C16 22.2(3) . . . . ? C10 C11 C12 C13 -1.2(3) . . . . ? C10 C11 C12 O2 -179.45(19) . . . . ? C10 C15 C16 O4 -162.6(2) . . . . ? C10 C15 C16 O5 23.2(3) . . . . ? C11 C10 C15 C14 7.9(3) . . . . ? C11 C10 C15 C16 -165.73(19) . . . . ? C11 C12 C13 C14 2.5(3) . . . . ? C12 C13 C14 C15 1.5(3) . . . . ? C12 C13 C14 O3 179.5(2) . . . . ? C13 C14 C15 C10 -6.8(3) . . . . ? C13 C14 C15 C16 167.37(19) . . . . ? C14 C15 C16 O4 23.6(3) . . . . ? C14 C15 C16 O5 -150.53(19) . . . . ? C15 C10 C11 C12 -4.1(3) . . . . ? C15 C10 C11 Cl1 -179.55(15) . . . . ? C15 C16 O5 C2 173.94(17) . . . . ? Cl1 C11 C12 C13 174.38(16) . . . . ? Cl1 C11 C12 O2 -3.9(3) . . . . ? O1 C3 C4 C5 -124.8(2) . . . . ? O2 C12 C13 C14 -179.3(2) . . . . ? O3 C14 C15 C10 175.37(19) . . . . ? O3 C14 C15 C16 -10.5(3) . . . . ? O4 C16 O5 C2 -0.2(3) . . . . ? O5 C2 C3 C4 -62.6(2) . . . . ? O5 C2 C3 O1 177.14(16) . . . . ? C1A C2A C3A C4A -177.41(19) . . . . ? C1A C2A C3A O1A 58.2(2) . . . . ? C1A C2A O5A C16A -82.2(2) . . . . ? C2A C3A C4A C5A 121.4(2) . . . . ? C3A C2A O5A C16A 154.58(19) . . . . ? C3A C4A C5A C6A -166.5(2) . . . . ? C4A C5A C6A C7A 111.1(3) . . . . ? C5A C6A C7A C8A -57.2(3) . . . . ? C6A C7A C8A C9A 102.3(3) . . . . ? C7A C8A C9A C10A 171.3(2) . . . . ? C8A C9A C10A C11A -98.4(3) . . . . ? C8A C9A C10A C15A 77.7(3) . . . . ? C9A C10A C11A C12A 174.3(2) . . . . ? C9A C10A C11A Cl1A -2.8(3) . . . . ? C9A C10A C15A C14A -168.5(2) . . . . ? C9A C10A C15A C16A 16.3(3) . . . . ? C10A C11A C12A C13A -3.1(3) . . . . ? C10A C11A C12A O2A 178.5(2) . . . . ? C10A C15A C16A O4A -165.8(2) . . . . ? C10A C15A C16A O5A 18.9(3) . . . . ? C11A C10A C15A C14A 7.5(3) . . . . ? C11A C10A C15A C16A -167.7(2) . . . . ? C11A C12A C13A C14A 2.6(3) . . . . ? C12A C13A C14A C15A 3.1(3) . . . . ? C12A C13A C14A O3A -178.5(2) . . . . ? C13A C14A C15A C10A -8.2(3) . . . . ? C13A C14A C15A C16A 167.3(2) . . . . ? C14A C15A C16A O4A 18.9(3) . . . . ? C14A C15A C16A O5A -156.4(2) . . . . ? C15A C10A C11A C12A -2.0(3) . . . . ? C15A C10A C11A Cl1A -179.08(17) . . . . ? C15A C16A O5A C2A 177.38(18) . . . . ? Cl1A C11A C12A C13A 174.01(17) . . . . ? Cl1A C11A C12A O2A -4.4(3) . . . . ? O1A C3A C4A C5A -116.7(2) . . . . ? O2A C12A C13A C14A -179.1(2) . . . . ? O3A C14A C15A C10A 173.5(2) . . . . ? O3A C14A C15A C16A -11.0(3) . . . . ? O4A C16A O5A C2A 2.1(3) . . . . ? O5A C2A C3A C4A -56.9(2) . . . . ? O5A C2A C3A O1A 178.69(16) . . . . ? loop_ _refln_index_h _refln_index_k _refln_index_l _refln_F_squared_meas _refln_F_squared_sigma _refln_scale_group_code -10 -8 -2 943.885 93.0657 28 -10 -7 -3 1159.03 98.7869 36 -10 -7 -2 19217.2 572.086 36 -10 -7 -1 3886.06 201.628 36 -10 -7 -1 4091.66 205.981 28 -10 -7 0 2320.29 136.617 28 -10 -7 0 2297.51 145.221 36 -10 -6 -4 2701.67 160.768 28 -10 -6 -3 6197.55 273.48 28 -10 -6 -3 5346.55 224.277 36 -10 -6 -2 6016.72 266.395 36 -10 -6 -2 6736.79 299.113 28 -10 -6 -1 17341.4 553.656 36 -10 -6 0 337.762 93.3719 28 -10 -6 0 187.519 87.9982 36 -10 -6 1 2068.3 124.692 31 -10 -6 1 2787.13 152.863 28 -10 -6 2 7798.57 270.783 36 -10 -5 -6 2063.94 121.157 51 -10 -5 -5 1302.54 108.131 51 -10 -5 -4 7998.06 288.406 28 -10 -5 -4 8568.2 303.769 51 -10 -5 -3 4996.73 239.209 28 -10 -5 -2 795.424 101.369 36 -10 -5 -2 948.062 124.049 28 -10 -5 -1 5769.32 270.385 36 -10 -5 -1 5974.84 288.008 28 -10 -5 0 11839 431.936 36 -10 -5 1 1143.56 125.907 28 -10 -5 1 1102.62 124.745 36 -10 -5 2 689.975 86.6004 28 -10 -4 -6 5259.1 206.134 51 -10 -4 -5 1140.72 103.84 51 -10 -4 -4 11283.6 389.883 51 -10 -4 -3 1069.29 102.349 28 -10 -4 -3 1223.35 112.355 51 -10 -4 -2 7071.45 269.256 51 -10 -4 -2 7667.21 310.104 28 -10 -4 -2 6852.31 268.695 36 -10 -4 -1 3424.44 211.368 28 -10 -4 -1 3331.67 193.783 36 -10 -4 0 1996.3 169.243 28 -10 -4 0 1989.91 162.242 36 -10 -4 1 -25.7767 84.1996 36 -10 -4 2 837.683 81.4411 40 -10 -4 2 969.312 114.339 36 -10 -4 2 926.844 108.742 28 -10 -4 3 1575.19 117.518 36 -10 -4 3 1729.76 111.915 28 -10 -3 -5 1410.41 106.392 51 -10 -3 -4 1966.91 137.771 51 -10 -3 -3 6277.87 267.491 51 -10 -3 -2 702.622 88.395 28 -10 -3 -2 684.693 92.1903 51 -10 -3 -1 3046.3 188.326 28 -10 -3 -1 2850.54 163.724 36 -10 -3 0 5239.36 248.751 36 -10 -3 0 5974.53 270.636 28 -10 -3 1 13063.9 449.972 28 -10 -3 1 12978.5 446.399 36 -10 -3 2 42.7839 75.5746 36 -10 -3 3 9533.52 326.219 28 -10 -2 -4 3974.47 183.357 51 -10 -2 -3 1253.4 110.41 51 -10 -2 -2 5837.76 246.294 51 -10 -2 -1 2989.46 159.7 28 -10 -2 0 30130 829.952 28 -10 -2 1 4048.15 209.255 28 -10 -2 2 195.248 78.3335 28 -10 -1 0 5405.07 206.129 28 -10 -1 1 4361.5 194.602 28 -10 -1 2 4232.56 190.651 28 -10 -1 3 2078.29 121.943 28 -9 -9 -6 3480.25 175.759 27 -9 -9 -5 3198.17 184.177 27 -9 -9 -3 647.613 99.5475 27 -9 -9 -3 585.256 79.4074 31 -9 -9 -2 3726.48 192 31 -9 -9 -1 6196.06 251.494 31 -9 -8 -6 3338.55 191.295 27 -9 -8 -5 1433.5 149.225 27 -9 -8 -4 7621.99 354.536 27 -9 -8 -3 5028.46 242.719 31 -9 -8 -2 3528.15 219.451 31 -9 -8 -2 4052.06 246.579 27 -9 -8 -1 9163.18 369.596 31 -9 -8 -1 8527.67 326.425 42 -9 -8 0 2000.77 162.075 31 -9 -8 1 8474.94 321.864 31 -9 -7 -8 14680.4 443.046 51 -9 -7 -7 21038.2 620.557 51 -9 -7 -6 3122.64 182.236 51 -9 -7 -5 5601.54 247.061 51 -9 -7 -5 5418.3 286.895 27 -9 -7 -4 7170.39 364.12 27 -9 -7 -3 16122.4 610.006 27 -9 -7 -2 10193.5 412.291 31 -9 -7 -1 3347.19 230.396 31 -9 -7 0 18183.5 624.418 31 -9 -7 1 1534.49 138.38 28 -9 -7 1 1653.57 162.858 31 -9 -7 2 13422.6 462.858 31 -9 -7 2 13763.3 445.569 36 -9 -6 -8 9168.58 330.79 51 -9 -6 -7 4611.44 236.187 51 -9 -6 -6 22228.2 695.659 51 -9 -6 -5 3253.97 212.625 51 -9 -6 -4 30728.5 893.971 51 -9 -6 -4 31070.9 960.838 27 -9 -6 -3 26018.4 873.47 27 -9 -6 -2 867.752 123.178 31 -9 -6 -1 9172.57 400.754 31 -9 -6 0 12333 493.64 31 -9 -6 1 13571.6 519.037 31 -9 -6 2 7575.48 341.493 31 -9 -6 2 7601.73 313.501 28 -9 -6 2 8106.59 347.857 36 -9 -6 3 6043.67 254.699 36 -9 -6 3 5772.71 267.742 31 -9 -5 -8 4356.95 188.121 46 -9 -5 -7 4491.17 215.215 46 -9 -5 -7 4828.03 247.482 51 -9 -5 -6 7542.48 311 46 -9 -5 -6 7772.04 352.34 51 -9 -5 -5 5258.17 293.86 51 -9 -5 -5 5177.44 244.833 46 -9 -5 -4 1804.67 173.75 51 -9 -5 -3 18502.4 619.909 51 -9 -5 -2 9618.81 369.871 51 -9 -5 -1 4969.23 268.483 31 -9 -5 0 10885.4 448.305 31 -9 -5 1 1521.13 171.885 31 -9 -5 1 1398.77 178.576 28 -9 -5 2 1915.02 189.412 36 -9 -5 2 2004.97 184.603 31 -9 -5 2 1822.09 171.202 28 -9 -5 3 6129.76 293.995 31 -9 -5 3 6075.92 268.619 28 -9 -5 3 6351.65 290.225 36 -9 -5 4 9539.73 355.9 31 -9 -5 4 9741.12 334.54 36 -9 -5 4 9587.11 347.238 50 -9 -4 -8 4644.47 200.633 46 -9 -4 -8 5148.44 214.62 51 -9 -4 -7 3646.51 196.404 46 -9 -4 -6 1788.38 167.396 51 -9 -4 -6 1786.17 150.719 46 -9 -4 -5 4770.18 281.777 51 -9 -4 -5 4994.83 259.002 46 -9 -4 -4 3851.25 223.503 46 -9 -4 -4 3940.82 261.757 51 -9 -4 -3 1294.22 150.397 51 -9 -4 -3 1164.8 132.409 36 -9 -4 -2 1157.49 153.96 36 -9 -4 -2 1292.89 144.013 51 -9 -4 -1 1480.58 138.23 51 -9 -4 -1 1479.5 183.273 36 -9 -4 0 1149.14 173.386 36 -9 -4 0 1281.25 142.99 31 -9 -4 1 21056.6 696.371 36 -9 -4 1 19671.2 650.554 31 -9 -4 2 1350.5 167.082 28 -9 -4 2 982.934 143.759 31 -9 -4 3 5518.89 284.579 31 -9 -4 3 5577.96 269.099 50 -9 -4 3 5441.63 284.101 36 -9 -4 3 5524.68 273.12 28 -9 -4 4 5379.68 251.02 50 -9 -4 4 5155.91 228.881 28 -9 -4 4 5323.68 251.443 36 -9 -4 5 14308.2 444.001 40 -9 -4 5 13644.3 433.337 50 -9 -3 -7 973.435 104.487 51 -9 -3 -7 1023.54 103.52 46 -9 -3 -6 10345.1 391.738 46 -9 -3 -5 1598.15 152.923 46 -9 -3 -5 1688.83 169.224 51 -9 -3 -4 14734.7 554.88 51 -9 -3 -4 14686.6 528.652 46 -9 -3 -3 1792.6 181.577 51 -9 -3 -3 1882.16 161.868 46 -9 -3 -3 1675.99 159.893 28 -9 -3 -2 30108.2 904.925 51 -9 -3 -2 29834.9 855.24 46 -9 -3 -2 28856.7 862.182 36 -9 -3 -2 29423.5 902.638 28 -9 -3 -1 7952.91 367.492 36 -9 -3 -1 7454.51 343.271 51 -9 -3 -1 7912.87 386.341 28 -9 -3 0 2033.75 206.334 28 -9 -3 0 1720.19 191.399 36 -9 -3 0 1728.32 146.079 51 -9 -3 1 9522.79 423.682 28 -9 -3 1 10208.7 436.46 36 -9 -3 1 8937.93 376.358 31 -9 -3 2 5682.37 313.497 36 -9 -3 2 5502.43 306.608 28 -9 -3 3 7326.51 348.954 36 -9 -3 3 7736.22 341.214 28 -9 -3 3 7604.71 315.986 50 -9 -3 4 4267.56 223.513 28 -9 -3 4 4301.27 235.031 36 -9 -3 4 4025.24 217.327 50 -9 -3 5 9644.92 345.761 40 -9 -3 5 9074.93 313.49 28 -9 -3 5 9948.8 341.17 50 -9 -3 6 1194.23 92.4631 40 -9 -2 -7 5995.16 227.482 51 -9 -2 -7 6336.05 238.777 46 -9 -2 -6 684.386 97.5258 51 -9 -2 -6 708.574 98.0628 46 -9 -2 -5 9647.12 383.174 46 -9 -2 -4 11989.5 469.749 51 -9 -2 -4 12606.2 467.938 46 -9 -2 -3 217.191 91.215 46 -9 -2 -3 206.585 108.209 51 -9 -2 -2 17.0871 83.6314 28 -9 -2 -2 67.9939 99.392 51 -9 -2 -1 16986.6 594.029 28 -9 -2 -1 17210.8 588.185 51 -9 -2 -1 16451.1 569.297 36 -9 -2 0 29128.3 880.094 36 -9 -2 0 28492.4 847.742 51 -9 -2 0 28882.4 890.765 28 -9 -2 1 1948.18 191.662 36 -9 -2 1 1765.22 189.501 28 -9 -2 2 10504.6 393.198 40 -9 -2 2 11236.2 445.43 36 -9 -2 3 1274.1 139.763 40 -9 -2 3 1143.3 116.809 50 -9 -2 3 1224.05 149.937 28 -9 -2 4 5033.44 261.599 36 -9 -2 4 5323.48 256.902 40 -9 -2 4 5029.27 252.827 28 -9 -2 4 5131.16 236.612 50 -9 -2 5 7707.23 290.411 50 -9 -2 5 7370.58 284.442 28 -9 -2 5 8076.67 304.687 40 -9 -2 6 3105.61 153.966 40 -9 -2 6 3061.15 146.586 50 -9 -1 -6 637.079 72.4284 51 -9 -1 -5 6545.86 274.21 51 -9 -1 -5 6207.41 272.485 46 -9 -1 -4 831.915 122.283 51 -9 -1 -4 764.291 113.323 46 -9 -1 -3 2377.5 193.846 51 -9 -1 -2 561.501 118.022 51 -9 -1 -2 514.275 85.75 55 -9 -1 -1 20097 601.731 55 -9 -1 -1 20342.3 662.623 51 -9 -1 -1 19626.8 627.491 28 -9 -1 0 16902.4 584.243 28 -9 -1 0 17459.4 579.134 51 -9 -1 1 1902.92 177.683 28 -9 -1 1 1828.73 178.852 36 -9 -1 2 12490.5 478.068 28 -9 -1 2 12573.7 484.855 36 -9 -1 3 19402.3 587.727 40 -9 -1 4 7593.07 300.475 40 -9 -1 4 7267.78 311.713 28 -9 -1 5 11834.2 394.655 40 -9 -1 5 11916.4 378.124 50 -9 -1 5 12326.9 399.833 28 -9 -1 6 4539.08 187.121 40 -9 0 -4 226.166 69.6266 51 -9 0 -3 16692.3 513.224 55 -9 0 -3 18909.2 569.28 51 -9 0 -2 3522.62 187.748 55 -9 0 -1 8415.41 326.389 55 -9 0 0 144.089 76.4595 28 -9 0 0 239.518 82.4529 55 -9 0 1 8877.67 358.283 28 -9 0 2 8789.41 361.183 28 -9 0 3 1774.47 155.691 28 -9 0 4 11919.7 375.964 40 -9 0 5 4832.11 201.304 40 -9 0 5 5723.42 230.881 28 -9 1 -3 11261.1 345.038 55 -9 1 -2 3850.26 183.409 55 -9 1 -1 239.785 76.0007 55 -9 1 0 534.634 92.8153 55 -9 1 1 1949.99 134.607 28 -9 1 2 1063.86 113.778 28 -9 1 3 5295.61 238.864 28 -9 1 4 11892.1 393.045 28 -9 2 -1 1785.26 108.949 55 -9 2 2 860.162 77.3969 24 -9 2 3 3011.26 146.763 24 -9 2 4 627.695 67.6326 24 -8 -10 -7 19803.8 569.18 27 -8 -10 -6 5391.48 245.458 27 -8 -10 -5 1668.6 145.783 27 -8 -10 -5 1736.04 121.098 31 -8 -10 -4 10174.8 368.009 31 -8 -10 -4 9584.04 343.883 42 -8 -10 -3 6386.05 274.665 27 -8 -10 -3 6753.5 273.175 42 -8 -10 -3 6981.18 290.239 31 -8 -10 -2 13628.9 455.815 31 -8 -10 -2 13622.9 443.258 42 -8 -10 -1 917.745 94.9742 42 -8 -9 -7 5237.98 254.362 27 -8 -9 -6 496.542 110.438 27 -8 -9 -5 17270.8 567.942 31 -8 -9 -5 19473.4 645.93 27 -8 -9 -4 11166.6 409.98 42 -8 -9 -4 11661.2 439.492 31 -8 -9 -3 918.106 130.693 42 -8 -9 -3 868.497 137.135 27 -8 -9 -3 966.679 144.625 31 -8 -9 -2 9600.04 397.427 27 -8 -9 -2 10193.6 418.562 31 -8 -9 -2 9383.06 390.091 42 -8 -9 -2 8729.23 365.895 19 -8 -9 -1 171.958 79.2459 27 -8 -9 -1 168.375 97.8885 31 -8 -9 -1 305.312 101.383 42 -8 -9 -1 172.103 93.9193 19 -8 -9 0 7063.16 314.387 42 -8 -9 0 6751.8 309.758 19 -8 -9 1 3906.63 207.832 31 -8 -9 1 4300.91 214.375 42 -8 -8 -9 143.462 60.1801 51 -8 -8 -8 861.438 106.256 51 -8 -8 -7 4074.04 222.967 51 -8 -8 -7 4233.02 239.185 27 -8 -8 -6 11321.7 473.668 27 -8 -8 -6 11993.1 425.459 51 -8 -8 -5 3734.65 276.649 27 -8 -8 -4 7535.3 362.414 31 -8 -8 -4 7838.76 413.188 27 -8 -8 -3 7203.29 347.846 42 -8 -8 -3 7069.74 368.857 31 -8 -8 -3 7488.61 403.7 27 -8 -8 -2 37039.3 1117.59 27 -8 -8 -2 38013.9 1116.56 31 -8 -8 -2 37624 1081.48 42 -8 -8 -1 28548.1 888.95 27 -8 -8 -1 26496.8 897.811 31 -8 -8 -1 28915.5 890.28 42 -8 -8 -1 27297.5 877.17 19 -8 -8 0 14000 526.369 42 -8 -8 0 13461.9 535.872 31 -8 -8 0 13920.6 536.258 19 -8 -8 1 10641.7 445.734 19 -8 -8 1 10371.9 430.622 42 -8 -8 2 260.259 96.4533 31 -8 -8 2 259.336 90.6258 42 -8 -8 3 12523.5 401.122 31 -8 -8 3 12506.4 390.845 30 -8 -7 -9 7.18323 65.9076 51 -8 -7 -9 22.7424 41.5442 46 -8 -7 -8 12003.8 410.977 46 -8 -7 -8 13125.6 470.95 51 -8 -7 -7 9896.03 396.797 27 -8 -7 -6 7507.94 355.872 51 -8 -7 -6 7072.05 360.834 27 -8 -7 -5 397.375 108.895 51 -8 -7 -5 620.102 145.431 27 -8 -7 -4 1131.85 145.426 31 -8 -7 -4 1221.96 202.543 27 -8 -7 -4 1163.59 129.836 51 -8 -7 -3 2027.14 247.999 27 -8 -7 -3 2431.76 222.709 31 -8 -7 -3 2148.16 185.696 42 -8 -7 -2 2830.23 272.5 27 -8 -7 -2 2978.6 232.694 42 -8 -7 -2 2948.47 250.775 31 -8 -7 -1 22427.5 793.708 27 -8 -7 -1 21202 751.418 19 -8 -7 -1 23330.6 803.063 31 -8 -7 -1 21188.7 753.93 42 -8 -7 0 24205.4 852.987 31 -8 -7 0 25174.2 846.122 19 -8 -7 0 24307.3 824.591 27 -8 -7 0 24314.8 824.095 42 -8 -7 1 9078.41 444.384 31 -8 -7 1 9549.1 459.561 19 -8 -7 1 9605.49 438.199 42 -8 -7 2 1977.64 189.996 42 -8 -7 2 1540.24 135.559 28 -8 -7 3 3554.27 222.785 31 -8 -7 3 3586.53 202.213 30 -8 -7 4 3786.27 177.548 30 -8 -7 4 3713.57 189.904 31 -8 -6 -10 1484.91 108.417 51 -8 -6 -9 945.219 104.085 46 -8 -6 -8 27195.4 796.168 46 -8 -6 -8 26115.1 823.154 51 -8 -6 -7 5017.61 301.25 51 -8 -6 -7 5087.39 273.032 46 -8 -6 -6 750.395 144.169 51 -8 -6 -6 669.897 113.508 46 -8 -6 -6 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6 88424.6 2228.34 2 2 4 6 92386.9 2257.54 39 2 4 6 88448.4 2236.66 23 2 4 7 5913.01 301.236 34 2 4 7 5232.89 271.698 39 2 4 7 5303.28 262.137 23 2 4 8 75765.2 1981.62 34 2 4 8 74991.1 1949.62 39 2 4 8 75223.2 1927.58 23 2 4 9 13029.6 548.1 34 2 4 9 13303 523.162 39 2 4 9 13813.7 502.473 23 2 4 10 58940.3 1590.28 34 2 4 10 54412 1481.12 45 2 4 10 57962.9 1551.1 39 2 4 10 55210.8 1495.35 23 2 4 11 43127.9 1254.12 34 2 4 11 42985.8 1214.56 39 2 4 12 2257.66 194.863 34 2 4 12 2232.45 166.939 39 2 4 13 8300.11 305.219 34 2 4 13 6839.41 248.604 39 2 5 -9 995.841 93.514 17 2 5 -8 2648.36 170.918 48 2 5 -8 2748.67 193.148 17 2 5 -7 3027.75 229.376 20 2 5 -7 2798.04 234.508 53 2 5 -7 2583.15 207.728 48 2 5 -7 2701.28 219.588 17 2 5 -6 17741.9 683.624 53 2 5 -6 18231.9 668.215 20 2 5 -6 18394.6 665.329 48 2 5 -6 17632 663.441 17 2 5 -5 16306 649.608 53 2 5 -5 16570.6 636.943 20 2 5 -5 17106.7 645.055 48 2 5 -5 17113.4 644.994 17 2 5 -5 18498.2 653.516 43 2 5 -4 32622.3 1041.85 53 2 5 -4 33751.1 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2641.82 34 2 5 5 104140 2614.63 11 2 5 5 110186 2634.62 45 2 5 5 112572 2619.77 24 2 5 5 104732 2610.22 39 2 5 6 27120 809.19 34 2 5 6 26486.8 786.45 45 2 5 6 26054.1 743.3 24 2 5 6 27106.7 779.21 39 2 5 7 16791.8 589.902 34 2 5 7 16201.4 556.944 45 2 5 7 15791.4 548.522 39 2 5 8 40257.8 1162.57 34 2 5 8 39311.6 1115.95 45 2 5 8 38457.2 1111.56 39 2 5 9 9781.74 451.973 34 2 5 9 9196.26 400.972 45 2 5 9 9430.66 405.747 39 2 5 10 7365.62 384.993 34 2 5 10 6925.36 330.578 45 2 5 10 7511.58 350.657 39 2 5 11 5669.66 323.091 34 2 5 11 5220.7 272.862 39 2 5 12 10098.1 407.702 34 2 5 12 9297.94 344.805 39 2 5 13 12198.6 408.837 34 2 6 -8 4728.72 191.438 48 2 6 -7 29301.7 826.059 20 2 6 -7 27574.6 804.299 48 2 6 -6 7755.66 374.804 20 2 6 -6 7288.13 368.818 48 2 6 -6 6995.28 324.834 17 2 6 -5 20800.6 711.517 53 2 6 -5 21316.3 742.462 20 2 6 -5 21682 759.135 48 2 6 -5 19960.7 679.769 17 2 6 -5 20775.1 735.782 43 2 6 -4 4115.7 265.125 53 2 6 -4 4495.13 290.14 20 2 6 -4 4428.13 303.142 48 2 6 -4 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2431.18 34 2 6 5 95888.9 2430.76 45 2 6 5 101652 2425.8 24 2 6 5 95539.6 2386.87 39 2 6 6 3360.43 242.642 22 2 6 6 3462.75 229.414 34 2 6 6 3259.23 227.104 45 2 6 6 3521.95 207.78 24 2 6 6 3180.62 197.946 39 2 6 7 34340.2 1021.13 34 2 6 7 34159.4 1001.51 45 2 6 7 34121.6 941.113 24 2 6 7 33092.4 957.56 39 2 6 8 67235 1730.46 34 2 6 8 63856.1 1693.82 45 2 6 9 75622.9 1989.07 45 2 6 9 74018.6 1952.34 39 2 6 10 1875.53 203.509 34 2 6 10 1650.46 168.258 45 2 6 10 1706.98 149.495 39 2 6 11 9412.49 407.776 34 2 6 11 8555.39 349.586 45 2 6 12 4139.6 232.307 34 2 6 13 1154.43 101.216 34 2 7 -7 6795.4 257.382 48 2 7 -6 14794.1 517.316 20 2 7 -6 15156.3 522.045 48 2 7 -5 379.498 120.061 20 2 7 -5 379.367 125.22 48 2 7 -5 493.375 121.609 43 2 7 -4 9686.52 439.634 20 2 7 -4 9266.79 450.931 48 2 7 -4 8786.94 420.447 43 2 7 -3 20580 729.854 20 2 7 -3 20850.8 729.213 43 2 7 -2 4202.53 287.491 48 2 7 -2 3629.83 270.709 43 2 7 -2 3627 218.86 24 2 7 -2 3835.73 246.728 14 2 7 -1 52063.6 1385.7 24 2 7 -1 51513.6 1446.03 48 2 7 -1 49264.3 1373.69 14 2 7 0 108787 2608.47 48 2 7 0 104134 2570.92 24 2 7 0 95174.6 2571.48 22 2 7 0 100344 2525.35 14 2 7 1 88076.2 2257.62 14 2 7 1 92545.8 2334.38 48 2 7 1 90797 2335.79 45 2 7 1 95274.5 2340.04 24 2 7 2 9897.94 414.758 48 2 7 2 9883.55 430.319 45 2 7 2 10099.1 428.349 24 2 7 3 16125.7 545.447 48 2 7 3 15538.9 568.482 45 2 7 3 14829.9 501.783 39 2 7 4 25937.4 772.443 48 2 7 4 24701.2 805.183 45 2 7 4 26069.1 808.25 24 2 7 5 15805.9 576.742 45 2 7 5 15990.3 565.385 24 2 7 6 37760.8 1119.99 45 2 7 6 38741.1 1088.32 24 2 7 7 9565.21 423.367 34 2 7 7 9864.78 433.181 45 2 7 7 9472.07 388.02 24 2 7 8 31483.5 952.77 34 2 7 8 30741.9 945.665 45 2 7 8 29824.6 867.824 24 2 7 9 16907.6 622.966 34 2 7 9 17342 615.933 45 2 7 10 1892.02 179.188 34 2 7 10 1788.11 170.054 45 2 7 11 1883.77 168.104 34 2 7 11 1669.16 139.818 45 2 7 12 15431.2 493.205 34 2 8 -6 6040.25 229.615 48 2 8 -5 18400.1 602.348 20 2 8 -5 21374.3 631.96 48 2 8 -4 1275.06 144.359 43 2 8 -3 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307.511 48 2 10 2 7560.65 324.827 24 2 10 3 3248.65 218.197 24 2 10 3 2696.65 217.824 22 2 10 4 23730.7 738.67 24 2 10 4 22562.5 751.584 22 2 10 5 47233.8 1309.77 45 2 10 5 47306.8 1321.51 22 2 10 6 971.687 149.322 22 2 10 6 868.795 137.356 45 2 10 6 834.814 131.445 24 2 10 7 8002.92 349.374 45 2 10 7 7719.1 333.364 24 2 10 7 7386.25 354.867 22 2 10 8 4014.28 223.513 45 2 10 8 3558.67 197.655 24 2 10 8 3843.17 236.065 22 2 10 9 591.658 110.584 22 2 10 9 666.071 99.3609 45 2 10 10 4139.61 178.037 45 2 10 10 4870.28 213.566 22 2 11 1 10469.5 350.919 20 2 11 1 10833.8 352.041 43 2 11 2 20073 576.823 20 2 11 2 18325.9 565.913 43 2 11 3 10078 350.599 24 2 11 4 683.51 99.3494 43 2 11 4 715.196 97.2995 24 2 11 5 5681.88 259.851 24 2 11 5 6733.28 278.844 22 2 11 6 3999.47 200.858 24 2 11 6 3690.09 202.695 22 2 11 7 8011.09 292.818 24 2 11 7 7876.33 301.325 22 2 11 8 13757.8 420.479 24 2 11 8 16642.6 462.013 22 3 -9 -6 222.718 61.6293 56 3 -8 -9 1549.21 135.325 56 3 -8 -9 1894.43 146.675 13 3 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57643.6 1444.09 10 3 1 3 58513.3 1461.75 2 3 1 4 20003.5 591.995 2 3 1 4 17477 567.533 10 3 1 5 1030.48 114.854 34 3 1 5 1192.4 120.376 2 3 1 5 1020.76 92.3524 3 3 1 5 1053.09 117.535 18 3 1 5 979.251 133.276 6 3 1 6 97837.2 2433.15 34 3 1 6 98288.3 2439.87 18 3 1 7 10361 431.424 34 3 1 7 10807.4 443.304 18 3 1 8 14192 545.324 34 3 1 8 14656.1 565.228 18 3 1 9 6518.05 350.335 34 3 1 9 6402.65 358.985 18 3 1 9 7046.01 371.896 39 3 1 10 143.967 106.802 34 3 1 10 57.0336 118.871 18 3 1 10 134.471 128.509 23 3 1 11 7616.5 336.097 34 3 1 11 7954.14 355.676 23 3 1 12 7522.09 276.105 34 3 1 12 6973.57 262.116 16 3 2 -11 7073.37 295.949 47 3 2 -10 498.053 125.937 53 3 2 -10 403.966 128.584 47 3 2 -9 431.477 169.814 53 3 2 -9 294.325 172.484 47 3 2 -9 186.482 104.973 41 3 2 -8 54339.3 1628.04 53 3 2 -8 53513.1 1674.21 47 3 2 -8 54333.7 1562.65 41 3 2 -7 88440.6 2536.3 47 3 2 -7 94565.2 2462.33 41 3 2 -6 1818.5 168.576 20 3 2 -6 1848.19 243.133 47 3 2 -6 1585.23 205.059 41 3 2 -6 1459.18 155.127 14 3 2 -5 65610.5 1697.55 20 3 2 -5 68012.9 1792.91 47 3 2 -5 64072.7 1762.38 41 3 2 -5 66943.6 1695.81 14 3 2 -4 11982.6 413.642 14 3 2 -4 12629.4 443.879 47 3 2 -4 11553.7 437.579 5 3 2 -4 12111.2 411.506 20 3 2 -4 11175 426.094 9 3 2 -4 11144.9 436.117 15 3 2 -3 73638.7 1844.97 21 3 2 -3 78670.3 1843.76 47 3 2 -3 77070.1 1893.07 6 3 2 -3 74417.9 1808.83 5 3 2 -3 70962.1 1842.44 43 3 2 -3 72578.5 1845.34 9 3 2 -2 57664.9 1356.61 5 3 2 -2 54853.2 1396.52 1 3 2 -2 54458.1 1398.2 9 3 2 -1 16875.2 485.28 1 3 2 -1 17119.1 446.124 5 3 2 -1 16234.8 476.47 9 3 2 -1 16320.4 483.31 8 3 2 0 123493 2995.45 1 3 2 0 128978 2959.93 12 3 2 0 128507 3006.86 8 3 2 1 104213 2347.81 12 3 2 1 96489.5 2326.65 10 3 2 2 108459 2553.79 11 3 2 2 106629 2508.36 10 3 2 3 134725 3092.93 11 3 2 3 126636 3055.76 10 3 2 4 2726.64 157.583 39 3 2 4 2857.04 162.976 2 3 2 5 99566.1 2348.51 34 3 2 5 91787.7 2339.88 3 3 2 5 90647.9 2347.77 6 3 2 5 97651 2344.01 18 3 2 5 95718.3 2348.93 39 3 2 5 99524.6 2370.05 2 3 2 6 46667.7 1253.91 34 3 2 6 47164.4 1208.36 3 3 2 6 45809.1 1256.68 18 3 2 7 80120.1 2039.85 34 3 2 7 78894.2 2047.04 18 3 2 8 15340 571.56 34 3 2 8 14939.9 577.616 18 3 2 9 6540.36 355.312 34 3 2 9 6345 361.187 18 3 2 9 6947.05 365.9 23 3 2 10 19994.4 690.341 34 3 2 10 18496.6 688.467 39 3 2 10 20503.3 703.891 23 3 2 11 2808.6 218.065 34 3 2 11 2721.34 194.071 16 3 2 11 2602.04 214.909 39 3 2 11 2500.69 200.273 23 3 2 12 228.877 86.3354 34 3 2 12 249.574 64.1458 16 3 2 12 310.234 90.482 39 3 2 12 312.988 84.6915 23 3 3 -10 15712.9 544.486 47 3 3 -10 17765.4 582.989 17 3 3 -9 776.846 153.138 47 3 3 -8 5518.47 380.673 47 3 3 -7 37345 1232.76 53 3 3 -7 37701.6 1243.84 47 3 3 -6 15929.3 573.098 20 3 3 -6 14830.1 522.527 48 3 3 -6 15329 666.522 47 3 3 -6 14642.9 556.454 14 3 3 -5 7339.49 326.088 48 3 3 -5 7752.36 348.307 20 3 3 -5 7252.29 399.132 47 3 3 -5 7491.24 345.572 14 3 3 -4 39559.4 1084.5 14 3 3 -4 39609.3 1077.97 20 3 3 -4 38511.8 1068.1 48 3 3 -4 40314 1128.71 47 3 3 -4 39622 1104.89 43 3 3 -4 38191.9 1081.89 10 3 3 -3 100964 2424.15 14 3 3 -3 98393.8 2409.71 20 3 3 -3 104327 2425.2 48 3 3 -3 101530 2534.29 6 3 3 -3 98802.5 2442.56 43 3 3 -3 100719 2427.32 10 3 3 -3 95583.8 2388.25 8 3 3 -2 5728.95 265.927 6 3 3 -2 5165.13 193.798 5 3 3 -2 5375.19 235.116 16 3 3 -2 5361.34 238.252 43 3 3 -2 4988.62 218.901 10 3 3 -2 5397.15 221.055 8 3 3 -1 114593 2713.73 5 3 3 -1 116386 2790.95 9 3 3 -1 123735 2790.81 8 3 3 0 49235 1164.54 5 3 3 0 49168.3 1245.52 8 3 3 1 128069 2885.57 12 3 3 1 123021 2851.2 10 3 3 2 2267.69 107.594 12 3 3 3 106977 2560.09 2 3 3 4 34267.4 917.479 34 3 3 4 33788.6 926.786 11 3 3 4 34607.1 916.886 2 3 3 4 33205.2 906.212 16 3 3 4 33180.8 913.939 39 3 3 4 36053.8 922.279 23 3 3 5 71443.3 1719.47 34 3 3 5 61708.1 1635.23 6 3 3 5 72345.9 1733.63 11 3 3 5 68025 1747.96 5 3 3 5 71449 1720.2 39 3 3 5 71817.7 1717.84 2 3 3 5 64500.5 1704.85 23 3 3 6 16833.9 572.552 34 3 3 6 16922 554.016 3 3 3 6 17262 577.028 39 3 3 7 61298.8 1654.18 34 3 3 7 62927.1 1654.85 39 3 3 7 63573.7 1653.42 23 3 3 8 7582.13 382.729 34 3 3 8 7858.55 381.95 39 3 3 8 7729.47 370.802 23 3 3 9 1870.79 209.682 34 3 3 9 1995.87 214.623 39 3 3 9 1641.19 191.259 23 3 3 10 4559.3 310.094 34 3 3 10 4562.15 267.986 16 3 3 10 4647.52 305.647 39 3 3 10 4774.18 292.855 23 3 3 11 20183.4 688.098 34 3 3 11 19396 624.692 16 3 3 11 19116.2 674.747 39 3 3 11 20771.3 666.899 23 3 3 12 4226.87 242.82 34 3 3 12 4447.75 240.7 39 3 3 12 4195.12 214.529 23 3 3 13 261.455 60.8302 34 3 3 13 248.018 55.0172 39 3 4 -10 5135.29 215.795 17 3 4 -9 35.9906 74.341 47 3 4 -9 -14.6773 89.7767 17 3 4 -8 620.001 163.642 53 3 4 -8 707.941 130.446 47 3 4 -8 640.191 148.014 17 3 4 -7 20417 713.083 20 3 4 -7 19506.1 651.731 48 3 4 -7 20080.9 754.098 47 3 4 -7 20907.8 802.138 53 3 4 -6 172802 4301.14 20 3 4 -6 182653 4436.5 53 3 4 -6 173519 4262.26 48 3 4 -6 180577 4396.98 47 3 4 -6 175359 4295.73 14 3 4 -5 45032.9 1253.04 48 3 4 -5 44089.1 1268.66 20 3 4 -5 42083.2 1332.68 47 3 4 -5 46688.9 1273.81 14 3 4 -4 37444.8 1059.91 20 3 4 -4 36562.7 1060.3 48 3 4 -4 38588.8 1094.07 43 3 4 -4 38484.8 1072.66 14 3 4 -3 45218.6 1246.52 14 3 4 -3 46606 1242.58 20 3 4 -3 46800.4 1255.56 48 3 4 -3 45033.6 1250.44 47 3 4 -3 46344 1267.56 43 3 4 -2 81299.2 2081.8 6 3 4 -2 80713.7 1990.6 48 3 4 -2 77008.1 1986.01 1 3 4 -2 79982 1999.31 43 3 4 -2 77155.6 1978.62 9 3 4 -1 79358.8 2030.87 6 3 4 -1 78284.7 1975.85 16 3 4 -1 79396 1885.27 10 3 4 -1 81581.9 1995.14 43 3 4 -1 81363.6 2001.67 24 3 4 -1 83252.9 1990.97 1 3 4 -1 77360.5 1958.7 22 3 4 0 35904.1 944.297 1 3 4 0 36030.6 953.41 6 3 4 0 34120.7 927.366 16 3 4 0 34293.9 966.662 24 3 4 0 34196.5 930.922 39 3 4 1 221.33 57.0956 6 3 4 1 215.212 57.0614 1 3 4 1 290.087 64.9187 16 3 4 1 246.995 67.8397 39 3 4 2 4912.89 151.051 12 3 4 2 5338.84 176.826 6 3 4 2 4700.56 163.571 5 3 4 2 5367.68 226.254 1 3 4 2 4700.99 211.282 39 3 4 3 56594.8 1325.32 34 3 4 3 60558.3 1276.1 5 3 4 3 57826.3 1310.2 16 3 4 3 49431.7 1319.28 24 3 4 3 58807.8 1324.68 39 3 4 4 32978.4 924.241 34 3 4 4 35869.1 940.329 11 3 4 4 34811.8 892.073 5 3 4 4 34750 913.891 16 3 4 4 32796.7 905.5 24 3 4 4 33252 921.2 39 3 4 5 64170.5 1714.5 34 3 4 5 65654.9 1746.62 3 3 4 5 67773.6 1728.58 11 3 4 5 68504.7 1676.3 29 3 4 5 70161 1683.61 5 3 4 5 68527.5 1706.76 2 3 4 5 68223.8 1698.08 16 3 4 5 67774.3 1713.92 39 3 4 5 66663.5 1710.79 23 3 4 6 5780.54 289.315 34 3 4 6 5866.98 268.538 16 3 4 6 5995.9 287.135 39 3 4 6 5560.83 277.772 23 3 4 7 20716.9 707.479 34 3 4 7 21318.9 677.594 16 3 4 7 22452.8 711.3 39 3 4 7 22275.7 701.493 23 3 4 8 9810.63 459.712 34 3 4 8 11484.1 437.429 16 3 4 8 10868.7 459.137 39 3 4 8 11300.8 460.507 23 3 4 9 53167.6 1403.54 16 3 4 9 54070.9 1469.19 39 3 4 9 53308.3 1440.13 23 3 4 10 8174.47 422.691 34 3 4 10 8583.65 359.428 16 3 4 10 8579.81 415.03 39 3 4 10 8646.03 391.91 23 3 4 11 15604.8 588.978 34 3 4 11 15692.8 575.354 39 3 4 11 15882.9 547.522 23 3 4 12 11105.6 435.144 34 3 4 12 11376.9 420.817 39 3 4 13 5706.85 232.495 34 3 4 13 4780.76 200.951 39 3 5 -9 5950.3 231.163 17 3 5 -8 1108.43 146.822 53 3 5 -8 841.667 116.222 17 3 5 -7 8471.03 393.822 20 3 5 -7 8801.8 436.453 53 3 5 -7 8416.95 365.154 48 3 5 -7 9258.27 415.449 17 3 5 -6 811.079 179.44 53 3 5 -6 1099.37 161.451 20 3 5 -6 626.015 128.915 48 3 5 -6 825.3 136.804 47 3 5 -5 1857.91 227.81 53 3 5 -5 1886.17 193.551 20 3 5 -5 2216.28 208.111 48 3 5 -5 1836.26 203.471 14 3 5 -4 14117.2 546.712 20 3 5 -4 14123.8 554.059 48 3 5 -3 30792.3 940.52 20 3 5 -3 31270.5 959.565 48 3 5 -3 33135.6 977.657 43 3 5 -2 28885.2 871.982 14 3 5 -2 29983.3 895.641 48 3 5 -2 29926.1 899.321 43 3 5 -1 46540.3 1241.44 48 3 5 -1 45238.5 1242.66 43 3 5 -1 46764.6 1244.3 24 3 5 -1 42655.4 1204.95 22 3 5 0 26583.5 762.077 16 3 5 0 26017.9 802.255 24 3 5 0 26058.5 762.236 39 3 5 0 25571.4 758.106 22 3 5 0 26445.5 767.585 1 3 5 1 12517.8 424.358 1 3 5 1 12302.5 432.33 45 3 5 1 12121.4 411.002 16 3 5 1 10789.6 447.455 24 3 5 1 12182.1 416.263 39 3 5 1 11308.5 408.814 22 3 5 2 41864.3 1112.03 22 3 5 2 44040 1123.85 1 3 5 2 43195.1 1130.3 45 3 5 2 42801.2 1104.22 16 3 5 2 42573.6 1117.99 39 3 5 3 214210 5112.21 22 3 5 3 224769 5128.64 1 3 5 3 218055 5119.76 45 3 5 3 214500 5095.59 16 3 5 3 220344 5161.11 24 3 5 3 215041 5112.37 39 3 5 4 25127.3 730.517 22 3 5 4 23828 735.229 34 3 5 4 24664.5 722.145 45 3 5 4 24639.7 704.681 16 3 5 4 24084.6 722.096 39 3 5 5 32973.2 937.647 34 3 5 5 31890.8 905.858 45 3 5 5 32455.5 895.88 16 3 5 5 35244.3 915.618 24 3 5 5 31536 920.881 39 3 5 6 22397.3 733.056 34 3 5 6 23334.8 692.318 45 3 5 6 23515.1 687.237 16 3 5 6 23157.3 662.495 24 3 5 6 22677.7 717.35 39 3 5 7 9685.01 432.364 34 3 5 7 10091.6 382.459 16 3 5 7 10335.3 423.473 39 3 5 8 40440.6 1203.35 34 3 5 8 40608.7 1119.11 16 3 5 8 42485.1 1198 39 3 5 9 7417.11 398.959 34 3 5 9 8383.62 394.13 39 3 5 10 3340.55 242.563 39 3 5 11 13383.4 499.641 39 3 5 12 11908.8 422.281 39 3 5 13 678.245 87.6566 22 3 6 -7 2418.61 167.625 48 3 6 -6 26668 840.26 20 3 6 -6 26343 840.08 53 3 6 -6 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564.804 16 4 4 -1 18039.5 572.208 43 4 4 -1 17433.2 563.983 39 4 4 -1 15937.2 556.034 1 4 4 0 9102.8 323.848 52 4 4 0 8657.13 332.067 6 4 4 0 8957.57 338 43 4 4 0 8616.69 337.247 39 4 4 0 8625.18 312.408 38 4 4 1 9542.42 329.358 52 4 4 1 9529.05 352.8 16 4 4 1 10017.5 358.186 39 4 4 1 9893.42 321.569 38 4 4 2 12474.7 387.262 52 4 4 2 12293.3 343.98 12 4 4 2 12013.4 401.545 29 4 4 2 11911.6 406.279 16 4 4 3 3727.17 206.267 34 4 4 3 3790.82 163.572 12 4 4 3 3654.88 189.226 29 4 4 3 3733.07 197.701 16 4 4 4 140689 3282.29 34 4 4 4 137816 3292.27 11 4 4 4 139070 3255.73 29 4 4 4 126978 3230.67 24 4 4 4 136524 3266.67 16 4 4 5 1264.49 142.767 34 4 4 5 1108.42 118.692 29 4 4 5 1297.77 130.889 5 4 4 5 1213.7 131.501 16 4 4 5 1216.59 140.303 39 4 4 5 1464.75 147.267 23 4 4 6 957.357 140.528 34 4 4 6 1033.4 134.593 16 4 4 6 1052.19 139.732 39 4 4 6 1021.12 143.15 23 4 4 7 53857.9 1460.4 34 4 4 7 53600.8 1437.66 16 4 4 7 53097.9 1459.36 39 4 4 7 50723.8 1448.66 23 4 4 8 2297.09 217.868 34 4 4 8 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2793.16 210.945 43 4 5 -1 20318.2 675.224 43 4 5 0 27827.7 819.38 16 4 5 0 29033 845.854 43 4 5 0 27888.5 880.07 24 4 5 0 27175.5 799.066 22 4 5 1 133339 3200.26 16 4 5 1 134175 3206.22 39 4 5 1 129594 3175.43 22 4 5 2 10105.8 339.228 52 4 5 2 9883.59 382.842 45 4 5 2 10198.6 380.386 16 4 5 2 9926.49 384.695 39 4 5 2 10398.8 369.519 22 4 5 3 110657 2698.82 22 4 5 3 114068 2663.02 52 4 5 3 114550 2718.99 16 4 5 3 117368 2738.04 39 4 5 4 1620.04 141.552 22 4 5 4 1605.18 155.891 34 4 5 4 1664.02 133.101 29 4 5 4 1536.71 140.269 16 4 5 4 1560.76 146.872 24 4 5 4 1795.49 155.515 39 4 5 5 4528.38 241.738 22 4 5 5 4753.96 262.88 34 4 5 5 4562.8 228.96 29 4 5 5 4446.08 242.578 16 4 5 5 4577.82 231.284 24 4 5 5 4527.59 256.296 39 4 5 6 69966.3 1794.68 34 4 5 6 67142.9 1721.65 29 4 5 6 66479.6 1750.26 16 4 5 6 67945.2 1784.03 39 4 5 7 8893.14 415.927 34 4 5 7 8781.49 351.78 29 4 5 7 9019.74 386.58 16 4 5 7 9204.27 409.313 39 4 5 8 3354.89 268.18 34 4 5 8 3590.95 232.74 16 4 5 8 3741.25 270.958 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6 2 21786.8 717.592 45 4 6 2 22567.3 697.214 16 4 6 2 23192.3 712.798 39 4 6 2 21830.7 695.466 22 4 6 3 11257.7 449.513 45 4 6 3 11906.5 441.08 16 4 6 3 12341 498.454 24 4 6 3 12034.9 456.924 39 4 6 3 11988.6 445.192 22 4 6 4 17292.5 589.653 22 4 6 4 16150.4 579.497 45 4 6 4 18024.5 587.576 16 4 6 4 19393.6 642.871 24 4 6 4 18855.2 611.791 39 4 6 5 14602.1 530.205 22 4 6 5 14757.3 518.736 16 4 6 5 15719.5 543.367 24 4 6 5 15339.4 546.085 39 4 6 6 1998.69 180.428 22 4 6 6 1936.55 163.677 16 4 6 6 1875.73 153.54 24 4 6 6 2184.8 191.576 39 4 6 7 50483 1470.68 22 4 6 7 55006.9 1429.4 16 4 6 7 54477.7 1481.75 39 4 6 8 187196 4533.12 16 4 6 8 194213 4621.73 39 4 6 9 6530.33 349.778 39 4 6 10 42180.8 1207.34 39 4 6 11 627.066 122.51 22 4 6 11 679.201 120.582 39 4 6 12 3568.24 194.692 22 4 6 12 3477.02 184.735 39 4 7 -6 7081.28 292.317 48 4 7 -5 352.193 92.8437 53 4 7 -5 264.875 97.6919 20 4 7 -5 187.628 100.42 48 4 7 -4 2029.04 185.347 53 4 7 -4 2472.34 200.51 20 4 7 -4 2324.85 210.132 48 4 7 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43 4 8 1 7267.06 390.916 24 4 8 1 6837.46 357.273 22 4 8 2 59155.8 1635.59 48 4 8 2 62825.2 1684.96 24 4 8 2 60154.2 1616.51 22 4 8 3 6067 339.745 48 4 8 3 6390.04 330.213 39 4 8 3 6904.92 354.96 22 4 8 4 1526.41 171.673 45 4 8 4 1287.19 140.053 16 4 8 4 1413.72 185.895 24 4 8 4 1234.03 153.523 39 4 8 5 58551.4 1544.05 45 4 8 5 56751.1 1570.8 24 4 8 5 56451.5 1527.74 39 4 8 5 54649.9 1557.94 22 4 8 6 8743.96 414.65 22 4 8 6 8837.36 382.251 45 4 8 6 8772.81 397.891 24 4 8 6 8683.48 386.217 39 4 8 7 10903.1 481.936 22 4 8 7 11771.3 441.17 45 4 8 7 11324.4 443.126 24 4 8 7 11584.8 458.759 39 4 8 8 20056.9 703.064 22 4 8 8 19761.5 613.303 24 4 8 8 19585.3 653.62 39 4 8 9 6947.61 349.549 22 4 8 9 6135.46 295.003 39 4 8 10 9094.76 386.102 22 4 8 10 8452 328.908 39 4 8 11 20758.1 639.916 22 4 8 12 8879.17 304.287 22 4 9 -4 1834.79 117.23 20 4 9 -4 1807.87 131.49 48 4 9 -3 57848.5 1531.37 20 4 9 -3 60452 1569.85 48 4 9 -3 62599.3 1561.11 43 4 9 -2 6582.32 308.672 20 4 9 -2 6764.66 324.534 43 4 9 -1 16798.7 594.189 20 4 9 -1 17836.7 630.483 48 4 9 -1 17154.8 618.459 43 4 9 -1 16343.4 567.792 14 4 9 0 7869.01 392.159 48 4 9 0 7566.51 376.665 43 4 9 0 7375.03 338.909 14 4 9 1 48237.2 1384.85 48 4 9 1 48783.8 1381.2 43 4 9 1 49713.1 1378.38 24 4 9 1 47706.2 1312.67 14 4 9 2 12613 468.663 14 4 9 2 12985.6 531.034 48 4 9 2 12669 524.964 43 4 9 2 14370.1 551.555 24 4 9 2 12963 521.093 22 4 9 3 17465.4 631.425 48 4 9 3 17701.6 658.597 24 4 9 3 16662.3 624.103 22 4 9 4 26763.1 879.706 48 4 9 4 27531.4 896.498 22 4 9 5 21749.3 741.915 48 4 9 5 23499.9 756.644 45 4 9 5 25406.4 793.021 24 4 9 5 22671.7 722.607 39 4 9 5 24040.3 789.598 22 4 9 6 24951 798.258 48 4 9 6 27371.7 829.106 45 4 9 6 27429.5 854.057 24 4 9 6 26240.5 801.092 39 4 9 7 423.291 135.403 22 4 9 7 377.938 95.9029 45 4 9 7 474.447 112.03 24 4 9 7 382.784 87.8035 39 4 9 8 2420.47 165.667 24 4 9 8 2523.49 214.509 22 4 9 9 2827.71 210.213 22 4 9 10 954.464 123.732 22 4 9 11 1510.07 120.697 22 4 10 -2 4812.17 207.163 20 4 10 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18668.3 679.398 47 8 0 -2 119.806 107.869 47 8 0 -2 145.34 101.621 38 8 0 -1 7034.21 370.559 38 8 0 0 3155.94 240.386 52 8 0 0 2893.9 255.854 38 8 0 1 15541.3 605.766 52 8 0 1 16088.8 637.282 38 8 0 2 676.36 148.465 52 8 0 2 538.275 133.991 29 8 0 3 2686.69 235.936 52 8 0 3 2648.39 236.276 29 8 0 4 37.7158 99.0196 52 8 0 4 56.4977 101.93 29 8 0 5 7318.84 353.675 52 8 0 5 6704.37 309.707 16 8 0 6 1021.61 113.905 52 8 0 6 1021.48 121.559 29 8 0 6 915.952 97.27 16 8 0 7 269.789 53.7681 52 8 0 7 273.254 62.5283 29 8 1 -8 6997.8 310.064 47 8 1 -7 6763.54 363.906 47 8 1 -7 6084.69 336.109 41 8 1 -6 5153.42 326.238 47 8 1 -6 4693.68 317.109 41 8 1 -6 4564.85 279.48 15 8 1 -5 969.548 170.661 47 8 1 -5 938.404 181.643 41 8 1 -5 809.031 150.718 15 8 1 -4 4849.48 309.638 21 8 1 -4 4264.91 294.594 47 8 1 -4 4484.23 294.486 15 8 1 -3 14048.6 559.504 21 8 1 -3 12920.2 553.67 47 8 1 -2 1396.37 182.346 21 8 1 -2 1284.48 177.44 47 8 1 -2 1378.42 182.899 38 8 1 -1 31436.5 1001.77 21 8 1 -1 32407.3 1011.35 38 8 1 0 39892.8 1217.41 52 8 1 0 40818.9 1224.41 38 8 1 1 2593.27 245.763 52 8 1 1 3012.01 264.367 38 8 1 2 6015.32 370.349 52 8 1 2 5494.9 341.339 29 8 1 2 5657.66 313.111 16 8 1 3 6442.85 390.114 52 8 1 3 6294.84 378.022 29 8 1 3 6220.66 351.759 16 8 1 4 4324.52 322.408 52 8 1 4 4438.72 309.941 29 8 1 4 4040.25 283.761 16 8 1 5 8406.35 410.056 29 8 1 5 7223.27 376.8 16 8 1 6 525.069 122.03 29 8 1 6 509.172 111.611 16 8 1 7 4712.7 244.239 29 8 1 7 4810.32 234.881 16 8 1 8 455.413 65.3882 52 8 1 8 473.492 74.2418 29 8 1 8 481.017 65.4247 16 8 2 -7 1561.37 180.528 47 8 2 -7 1110.03 127.124 41 8 2 -6 5856.59 341.142 47 8 2 -6 5092.48 312.026 41 8 2 -5 2662.88 242.779 47 8 2 -5 2413.47 229.828 41 8 2 -4 12863.5 512.086 47 8 2 -4 9292.56 432.321 15 8 2 -3 22929.5 797.068 21 8 2 -3 24146.4 822.196 47 8 2 -3 24641.9 785.06 15 8 2 -2 1595.36 183.824 21 8 2 -2 1609.07 192.655 47 8 2 -1 17829.5 620.734 21 8 2 -1 15933.7 632.574 38 8 2 0 6667.94 372.303 52 8 2 0 6669.3 326.492 16 8 2 1 24597.5 872.53 52 8 2 1 25826.3 823.498 16 8 2 2 5630.35 363.681 52 8 2 2 5880.83 356.658 29 8 2 2 5718.98 335.725 16 8 2 2 5484.81 345.805 38 8 2 3 17640.1 711.797 52 8 2 3 17691 698.008 29 8 2 3 17843.2 679.59 16 8 2 4 13839.8 606.093 52 8 2 4 14682.9 600.537 29 8 2 4 12900.4 566.169 16 8 2 5 9217.59 441.173 29 8 2 5 8319.52 425.596 16 8 2 6 7582.19 377.876 29 8 2 6 7128.79 365.611 16 8 2 7 17347.3 592.434 16 8 2 8 480.047 91.2248 16 8 2 9 1619.29 102.026 29 8 2 9 1498.34 97.7154 16 8 3 -7 7127.35 312.519 53 8 3 -7 6372 317.575 47 8 3 -6 19250.9 693.058 47 8 3 -5 9892.59 452.258 47 8 3 -5 8342.69 396.666 41 8 3 -4 638.572 150.185 47 8 3 -4 486.758 122.736 41 8 3 -3 10524.9 464.814 21 8 3 -3 11034.3 477.298 47 8 3 -2 9819.15 424.678 21 8 3 -2 9236.49 431.453 47 8 3 -1 8511.96 383.418 21 8 3 -1 8489.12 406.79 47 8 3 -1 8632.69 389.12 16 8 3 -1 8530.61 413.156 38 8 3 0 14231.1 520.323 21 8 3 0 15085.7 588.906 52 8 3 0 14035.5 547.5 16 8 3 0 14378.5 563.77 38 8 3 1 1424.02 177.197 16 8 3 1 1274.3 167.42 38 8 3 2 308.479 129.082 16 8 3 2 355.325 121.205 38 8 3 3 21744.6 760.025 29 8 3 3 20209 750.184 16 8 3 3 20407.7 725.874 38 8 3 4 31920.7 956.153 29 8 3 4 29128.9 939.46 16 8 3 5 6073.7 359.946 52 8 3 5 5777.19 334.502 39 8 3 6 8063.4 386.066 16 8 3 6 6032.59 331.422 39 8 3 7 13044.7 500.305 29 8 3 7 13718.3 511.287 16 8 3 7 12576.4 472.377 39 8 3 8 1487.87 143.571 29 8 3 8 1725.99 157.197 16 8 3 8 1511.55 121.811 39 8 3 9 2125.7 131.301 52 8 3 9 2171.03 134.86 29 8 3 9 2085.2 138.171 16 8 4 -7 2884.73 170.446 53 8 4 -6 230.901 104.192 47 8 4 -5 15219.9 584.164 47 8 4 -4 1396.73 167.134 47 8 4 -3 228.983 87.2217 14 8 4 -3 302.477 107.606 47 8 4 -2 1915.32 178.714 14 8 4 -2 2186.04 192.169 47 8 4 -1 7864.01 350.618 21 8 4 -1 7109.1 355.395 47 8 4 -1 6865.76 359.165 16 8 4 0 10139.8 401.375 21 8 4 0 9800.26 430.476 47 8 4 0 9915.96 443.999 16 8 4 0 10464.7 444.543 38 8 4 1 10852.3 413.4 21 8 4 1 11454.3 492.103 52 8 4 1 11867.3 495.886 16 8 4 1 11373.9 474.529 39 8 4 1 10970.3 466.143 38 8 4 2 3628.47 207.946 21 8 4 2 4294.55 282.801 52 8 4 2 3837.52 278.177 16 8 4 2 3971.15 271.264 39 8 4 2 4026.79 256.833 38 8 4 3 19061.9 688.884 52 8 4 3 19496.7 699.417 16 8 4 3 19497.7 652.214 38 8 4 4 6343.67 354.406 52 8 4 4 6389.44 368.284 16 8 4 4 5309.33 336.724 39 8 4 4 6257.86 320.208 38 8 4 5 4661.4 299.57 52 8 4 5 4298.48 298.299 29 8 4 5 5193.4 318.642 16 8 4 5 4375.79 297.724 39 8 4 5 4506.23 260.43 38 8 4 6 374.515 114.588 52 8 4 6 487.896 126.755 29 8 4 6 512.062 138.625 16 8 4 6 268.296 111.424 39 8 4 6 412.114 96.4614 38 8 4 7 532.089 113.638 52 8 4 7 470.354 117.768 29 8 4 7 536.688 129.189 16 8 4 7 351.138 107.942 39 8 4 7 480.567 90.6801 38 8 4 8 2304.76 168.142 52 8 4 8 2075.99 166.141 29 8 4 8 2401.7 172.311 39 8 4 8 1950.39 127.16 38 8 4 9 641.403 81.4973 52 8 4 9 596.745 85.1243 29 8 4 9 677.979 101.57 16 8 4 9 654.008 82.2122 39 8 5 -6 3457.79 207.961 53 8 5 -5 178.086 87.5032 47 8 5 -4 1745.5 174.28 47 8 5 -4 1876.85 148.594 14 8 5 -3 8532.92 370.423 14 8 5 -3 8615.89 388.016 47 8 5 -2 419.008 112.388 14 8 5 -2 476.058 100.313 47 8 5 -1 9715.28 420.454 48 8 5 -1 10390 418.656 47 8 5 -1 11121.4 468.847 16 8 5 0 13476.7 489.642 47 8 5 0 13079 534.615 16 8 5 1 10427.6 424.065 47 8 5 1 11230.5 488.658 16 8 5 1 11137.5 485.621 39 8 5 2 24086 808.928 52 8 5 2 25626.4 835.614 16 8 5 2 24611.8 839.766 39 8 5 2 24667.1 782.19 38 8 5 3 931.344 142.401 52 8 5 3 1073.61 172.35 16 8 5 3 1221.31 169.06 39 8 5 3 1004.19 133.475 38 8 5 4 27775.9 851.505 52 8 5 4 27624.2 887.567 16 8 5 4 25342.3 873.335 39 8 5 4 25354.4 793.985 38 8 5 5 12695 489.045 52 8 5 5 11720.4 502.203 16 8 5 5 11329.8 504.176 39 8 5 5 11287.5 428.616 38 8 5 6 3073.92 215.787 52 8 5 6 3205.99 232.983 29 8 5 6 3097.21 243.655 39 8 5 6 2838.07 178.083 38 8 5 7 1911 165.34 52 8 5 7 1872.77 172.512 29 8 5 7 2060.37 193.725 39 8 5 8 2683.86 171.69 52 8 5 8 2573.22 189.858 16 8 5 8 2875.09 199.844 39 8 5 9 2629.75 145.191 52 8 5 9 2863.76 173.133 16 8 5 9 3004.11 174.999 39 8 5 10 11834 357.773 16 8 6 -4 23691.4 688.662 14 8 6 -3 4787.28 255.589 14 8 6 -2 2456.18 202.965 14 8 6 -2 2128.35 166.296 48 8 6 -1 10106.3 434.375 14 8 6 -1 9677.96 413.924 48 8 6 0 24940.7 819.441 16 8 6 1 4119.59 282.274 16 8 6 1 4260.41 286.198 39 8 6 2 13053 535.989 16 8 6 2 13572.3 549.819 39 8 6 3 24698.8 789.251 52 8 6 3 24688.1 828.197 16 8 6 3 26293.6 851.958 39 8 6 4 9188.89 388.318 52 8 6 4 9583.37 440.983 39 8 6 4 8320.16 343.521 38 8 6 5 1824.36 160.965 52 8 6 5 1880 199.009 39 8 6 6 1424.13 140.244 52 8 6 6 1531.76 182.314 16 8 6 6 1674.39 177.15 39 8 6 7 4745.51 240.898 52 8 6 7 5721.82 301.507 16 8 6 7 5572.2 297.871 39 8 6 8 28335.9 815.1 16 8 6 8 30007.8 834.963 39 8 6 9 1650.37 131.35 16 8 6 9 1630.8 134.364 39 8 6 10 1557.45 104.208 39 8 7 -4 4228.73 207.215 53 8 7 -3 3344.15 193.465 14 8 7 -2 1774.74 157.973 14 8 7 -2 1432.22 132.016 48 8 7 -1 11188.4 444.136 14 8 7 -1 10827.7 428.543 48 8 7 0 25291.4 825.856 14 8 7 0 27589.3 842.561 48 8 7 1 23274.8 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130.332 14 8 9 4 11724.5 448.533 48 8 9 5 19341.7 647.289 48 8 9 5 21552.5 640.402 16 8 9 5 20947.9 647.881 39 8 9 6 831.117 102.568 16 8 9 6 751.871 109.706 39 8 9 7 5559.46 227.383 16 8 9 7 6049.44 259.141 39 8 9 8 1675.31 111.527 48 8 9 8 4163.84 174.778 39 8 10 1 1426.27 104.202 48 8 10 1 1386.68 94.2925 14 8 10 2 15128.6 450.875 14 8 10 3 6702.14 252.784 14 8 10 3 6687.45 275.565 48 8 10 4 9179.19 309.754 14 8 10 4 9464.95 344.047 48 8 10 5 2331.96 122.699 14 8 10 5 2462.1 151.825 48 8 10 6 4109.41 187.008 48 9 -2 -4 539.376 105.265 15 9 -2 -3 3572.31 199.1 21 9 -2 -3 3294.82 205.361 41 9 -2 -3 3929.42 230.358 15 9 -2 -2 1449.28 134.303 21 9 -2 -1 9136.6 350.678 21 9 -2 0 2391 160.059 21 9 -2 1 1540.18 122.79 21 9 -1 -5 766.394 130.271 41 9 -1 -5 657.139 118.81 15 9 -1 -4 9535.32 385.473 47 9 -1 -4 10806.9 445.13 15 9 -1 -3 5431.38 290.992 21 9 -1 -3 5188.04 260.514 47 9 -1 -3 5826.98 311.539 15 9 -1 -2 1148.15 147.191 21 9 -1 -2 1050.94 121.066 47 9 -1 -1 1558.91 169.294 21 9 -1 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21019.7 699.236 15 9 1 -2 13002.2 512.599 21 9 1 -2 12201.9 511.566 47 9 1 -1 2006.42 197.08 21 9 1 -1 1795.64 194.444 47 9 1 0 18836.6 663.819 21 9 1 0 18977.5 687.875 47 9 1 0 18375.2 680.373 38 9 1 1 22974.7 753.738 52 9 1 1 20473.7 749.35 38 9 1 2 540.087 130.789 52 9 1 2 484.074 147.027 38 9 1 3 2303.59 202.513 52 9 1 3 1983.9 202.038 38 9 1 4 517.761 114.187 52 9 1 5 5613.96 267.842 52 9 1 6 1155.28 97.1597 52 9 1 6 1325.88 107.264 38 9 2 -6 2775.33 206.144 47 9 2 -5 6546.2 338.483 47 9 2 -5 5884.36 314.115 41 9 2 -4 4696.14 291.197 47 9 2 -4 5018.41 296.335 41 9 2 -3 807.052 145.648 21 9 2 -3 810.881 141.798 47 9 2 -2 13130.6 518.07 21 9 2 -2 12449.8 523.524 47 9 2 -2 14096.5 493.782 15 9 2 -1 2299.32 198.924 21 9 2 -1 2130.08 209.923 47 9 2 0 26950.4 814.492 21 9 2 0 25494.1 836.437 38 9 2 1 14342.2 528.876 21 9 2 1 14191.9 576.959 52 9 2 2 186.242 124.125 52 9 2 3 54.296 109.737 52 9 2 3 30.6521 87.0338 16 9 2 3 54.6518 99.834 38 9 2 4 8112.9 405.069 52 9 2 4 8003.28 370.061 16 9 2 5 8729.69 392.295 52 9 2 5 8175.62 358.35 16 9 2 6 903.884 110.7 52 9 2 6 737.16 94.4465 16 9 2 6 720.705 100.205 38 9 2 7 6952.77 257.98 52 9 2 7 6647.48 239.667 38 9 3 -6 964.679 125.057 47 9 3 -5 11936 475.809 47 9 3 -4 4152.19 264.615 47 9 3 -4 3862.23 237.773 41 9 3 -3 8880.91 400.532 47 9 3 -2 6469.27 320.958 21 9 3 -2 6518.46 338.201 47 9 3 -1 9388.36 395.607 21 9 3 -1 8638.66 412.267 47 9 3 0 1866.97 167.96 21 9 3 0 1770.23 185.605 47 9 3 0 2108.82 202.255 38 9 3 1 6685.44 308.915 21 9 3 1 6827.76 371.247 52 9 3 1 5888.51 319.578 16 9 3 1 6056.54 338.877 38 9 3 2 29893.9 999.548 52 9 3 2 29741.5 955.336 16 9 3 2 32073 979.327 38 9 3 3 1525.19 190.61 52 9 3 3 1551.07 184.501 16 9 3 3 1706.72 175.863 38 9 3 4 11998.7 508.355 16 9 3 4 14300.4 510.396 38 9 3 5 2427.32 202.839 16 9 3 5 2910.07 197.501 38 9 3 6 11450.8 426.316 16 9 3 6 10720.8 392.593 38 9 3 7 1244.1 116.044 52 9 3 7 1432.38 122.046 16 9 3 7 1087.03 92.8659 38 9 3 8 4431.64 176.881 52 9 4 -5 12609.7 454.546 47 9 4 -4 3729.49 236.734 47 9 4 -3 5719.39 297.695 47 9 4 -2 1115.46 140.393 47 9 4 -1 18829.1 622.94 14 9 4 -1 20113.4 662.839 47 9 4 0 1168.59 127.26 21 9 4 0 1305.04 149.636 47 9 4 0 1390.05 160.299 16 9 4 1 1373.91 125.375 21 9 4 1 1192.31 146.949 47 9 4 1 1214.85 160.099 16 9 4 1 1402.78 161.928 38 9 4 2 1108.65 164.156 52 9 4 2 813.326 148.154 16 9 4 2 993.822 145.751 38 9 4 3 958.887 152.287 52 9 4 3 1039.64 156.933 16 9 4 3 984.653 131.867 38 9 4 4 4091.12 272.276 52 9 4 4 4630.98 285.914 16 9 4 4 4381.2 247.58 38 9 4 5 6683.73 331.497 52 9 4 5 6630.55 338.376 16 9 4 5 6142.28 286.236 38 9 4 6 1461.6 145.73 52 9 4 6 1502.47 154.56 16 9 4 6 1393.02 122.765 38 9 4 7 4435.84 216.042 52 9 4 7 4707.76 232.142 16 9 4 8 4281.6 187.515 52 9 4 8 5124.88 209.223 16 9 5 -4 8472.09 329.507 47 9 5 -3 7470.08 324.614 47 9 5 -2 1654.37 142.395 14 9 5 -2 1831.17 156.459 47 9 5 -1 2276.04 183.066 14 9 5 -1 2602.23 179.905 47 9 5 0 11946 441.896 47 9 5 0 12857.5 486.964 16 9 5 1 5446.97 268.57 47 9 5 1 5548.02 313.306 16 9 5 2 10198.9 405.869 47 9 5 2 12033.6 482.546 16 9 5 3 22428.1 718.737 52 9 5 3 23486.4 745.07 16 9 5 3 21147.1 671.638 38 9 5 4 2292.36 184.823 52 9 5 4 2140.43 200.092 16 9 5 4 1728.03 175.742 39 9 5 4 2129.63 162.698 38 9 5 5 4257.6 246.056 52 9 5 5 3731.94 243.384 39 9 5 5 3884.32 205.378 38 9 5 6 10254.7 379.658 52 9 5 6 10616.8 405.574 16 9 5 6 9768.9 382.247 39 9 5 7 5241.22 234.803 52 9 5 7 5286.31 256.853 16 9 5 7 4999.87 233.139 39 9 5 8 4660.96 188.886 52 9 6 -2 6808.81 290.639 14 9 6 -1 15262.5 526.435 14 9 6 0 10828.7 414.151 48 9 6 1 9510.36 413.547 16 9 6 2 898.955 140.357 16 9 6 3 27870.9 843.106 16 9 6 3 24891.1 823.54 39 9 6 4 32330.1 936.935 16 9 6 4 28583.9 915.002 39 9 6 5 3740.98 211.44 52 9 6 5 3939.6 240.961 16 9 6 5 3283.35 224.555 39 9 6 6 23825 705.093 52 9 6 6 25753.2 759.771 39 9 6 7 5118.63 216.726 52 9 6 7 5999.63 258.014 39 9 6 8 9877.94 335.887 16 9 6 8 9632.89 322.616 39 9 7 -2 15826 485.662 14 9 7 -1 1880.01 147.798 14 9 7 0 18992.7 590.475 14 9 7 0 17080.5 562.156 48 9 7 1 5119.89 267.404 48 9 7 2 11562.8 450.206 16 9 7 3 17364.5 592.716 16 9 7 4 7169.34 334.151 39 9 7 5 7447.24 335.546 39 9 7 6 3732.29 214.646 16 9 7 6 4232.55 226.421 39 9 7 7 22648.1 670.29 16 9 7 7 24189 682.921 39 9 7 8 14867.5 442.204 16 9 7 8 15132.5 446.199 39 9 8 -1 8522.34 300.985 14 9 8 0 1951.27 140.874 14 9 8 0 1627.14 120.602 48 9 8 1 8504.6 332.26 14 9 8 1 8272.46 327.038 48 9 8 2 4033.73 220.573 48 9 8 3 5195.28 261.188 48 9 8 4 7150.7 310.18 16 9 8 5 1903.06 149.93 16 9 8 5 1959.74 151.607 39 9 8 6 4419.12 214.635 16 9 8 6 4481.41 217.91 39 9 8 7 686.553 81.2635 16 9 8 7 748.588 88.3949 39 9 9 1 5179.51 206.688 48 9 9 2 3895.69 184.614 14 9 9 2 3785.47 186.461 48 9 9 3 878.26 93.3695 14 9 9 3 799.241 95.7379 48 9 9 4 510.734 73.6523 14 9 9 5 2729.65 162.543 48 9 9 6 2545.43 142.364 48 10 0 -1 399.948 87.906 21 10 0 0 1565.81 130.251 21 10 0 1 2270.84 142.45 21 10 1 -3 2337.19 173.504 47 10 1 -3 1777.05 165.007 41 10 1 -2 5157.28 263.871 47 10 1 -1 5320.78 268.961 21 10 1 -1 5360.88 271.655 47 10 1 0 5709.58 272.458 21 10 1 0 5602.16 279.691 47 10 1 1 16068.9 517.305 21 10 1 1 15749.9 532.325 47 10 1 2 6353.16 248.612 21 10 1 2 6004.15 264.827 38 10 1 3 140.965 53.3723 47 10 1 3 273.418 68.2539 38 10 2 -3 1011.67 126.356 41 10 2 -1 3087.05 199.931 21 10 2 0 28391.2 823.471 21 10 2 1 4016.31 214.319 21 10 2 2 6096.04 255.066 21 10 2 3 1403.98 103.83 21 10 2 4 4615.82 213.366 38 10 3 -3 10258.1 403.578 47 10 3 -2 61.8744 79.7671 47 10 3 -1 12819.3 478.721 47 10 3 0 5878.3 256.628 21 10 3 0 5344.96 287.448 47 10 3 1 2876.76 163.896 21 10 3 1 2466.07 193.866 47 10 3 2 750.217 84.4898 21 10 3 2 664.951 110.054 38 10 3 3 5038.06 251.294 38 10 3 4 1908.05 153.149 52 10 3 4 2148.99 146.282 38 10 3 5 828.703 92.7079 52 10 3 5 853.188 81.7505 38 10 4 -3 869.465 106.663 47 10 4 -2 623.905 100.759 47 10 4 -1 105.945 68.4006 47 10 4 0 1893.39 154.264 47 10 4 1 2629.13 181.113 47 10 4 2 6700.31 297.648 47 10 4 3 979.267 112.705 47 10 4 3 1006.07 116.823 16 10 4 4 10048.6 384.834 16 10 4 4 12511.7 394.504 38 10 4 5 1302.2 114.984 52 10 4 5 1132.15 102.719 16 10 4 5 1151.64 92.0243 38 10 4 6 6118.17 230.5 52 10 5 -1 901.655 95.0462 47 10 5 0 13758.2 444.573 47 10 5 1 5861.1 249.422 47 10 5 2 848.203 93.0203 47 10 5 2 828.354 113.21 16 10 5 3 4737.3 218.258 47 10 5 3 5248.13 256.453 16 10 5 4 6462.59 256.783 47 10 5 4 8379.29 319.34 16 10 5 5 795.303 71.1226 47 10 5 5 1557.37 122.647 16 10 5 6 2741.61 145.355 16 10 6 0 353.207 71.6459 14 10 6 1 13350.6 444.633 14 10 6 2 4775.68 222.999 48 10 6 3 6133.05 275.692 16 10 6 4 4610.95 228.909 16 10 6 5 4060.39 201.356 16 10 6 6 2195.62 130.675 16 10 7 1 3921.49 187.232 14 10 7 2 21417.1 571.332 14 10 7 2 16554.4 526.824 48 10 7 3 863.636 94.0902 48 10 7 4 7973.94 301.442 16 10 7 5 10383.9 347.279 16 10 8 2 722.706 72.1594 14 10 8 3 1344.45 96.0245 14