#------------------------------------------------------------------------------ #$Date: 2017-09-12 06:26:36 +0300 (Tue, 12 Sep 2017) $ #$Revision: 200649 $ #$URL: file:///home/coder/svn-repositories/cod/cif/4/51/41/4514158.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_4514158 loop_ _publ_author_name 'Cruchter, Thomas' 'Medvedev, Michael G.' 'Shen, Xiaodong' 'Mietke, Thomas' 'Harms, Klaus' 'Marsch, Michael' 'Meggers, Eric' _publ_section_title ; Asymmetric Nucleophilic Catalysis with an Octahedral Chiral-at-Metal Iridium(III) Complex ; _journal_issue 8 _journal_name_full 'ACS Catalysis' _journal_page_first 5151 _journal_paper_doi 10.1021/acscatal.7b01296 _journal_volume 7 _journal_year 2017 _chemical_absolute_configuration ad _chemical_formula_moiety 'C14 H13 Cl3 O4' _chemical_formula_sum 'C14 H13 Cl3 O4' _chemical_formula_weight 351.59 _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' _symmetry_space_group_name_Hall 'P 2yb' _symmetry_space_group_name_H-M 'P 1 21 1' _atom_sites_solution_hydrogens geom _atom_sites_solution_primary dual _atom_sites_solution_secondary difmap _audit_creation_method SHELXL-2016/6 _cell_angle_alpha 90 _cell_angle_beta 98.492(2) _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 7.1346(3) _cell_length_b 14.8376(6) _cell_length_c 15.0064(6) _cell_measurement_reflns_used 9800 _cell_measurement_temperature 110(2) _cell_measurement_theta_max 27.4660 _cell_measurement_theta_min 2.7448 _cell_volume 1571.17(11) _computing_cell_refinement 'SAINT V8.37A (Bruker AXS Inc., 2015)' _computing_data_collection 'APEX3 (Bruker AXS Inc., 2015)' _computing_data_reduction 'SAINT V8.37A (Bruker AXS Inc., 2015)' _computing_molecular_graphics 'DIAMOND (Crystal Impact)' _computing_structure_refinement 'SHELXL-2016/6 (Sheldrick, 2016)' _computing_structure_solution 'XT V2014/1 (Bruker AXS Inc., 2014)' _diffrn_ambient_temperature 110(2) _diffrn_detector_area_resol_mean 7.9 _diffrn_measured_fraction_theta_full 0.999 _diffrn_measured_fraction_theta_max 0.998 _diffrn_measurement_device_type 'Bruker D8 QUEST area detector' _diffrn_measurement_method '\w and \f scans' _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0329 _diffrn_reflns_av_unetI/netI 0.0261 _diffrn_reflns_Laue_measured_fraction_full 0.999 _diffrn_reflns_Laue_measured_fraction_max 0.998 _diffrn_reflns_limit_h_max 9 _diffrn_reflns_limit_h_min -9 _diffrn_reflns_limit_k_max 19 _diffrn_reflns_limit_k_min -19 _diffrn_reflns_limit_l_max 19 _diffrn_reflns_limit_l_min -19 _diffrn_reflns_number 37928 _diffrn_reflns_point_group_measured_fraction_full 0.999 _diffrn_reflns_point_group_measured_fraction_max 0.997 _diffrn_reflns_theta_full 25.242 _diffrn_reflns_theta_max 27.558 _diffrn_reflns_theta_min 2.745 _diffrn_source 'microfocus sealed X-ray tube' _exptl_absorpt_coefficient_mu 0.594 _exptl_absorpt_correction_T_max 0.97 _exptl_absorpt_correction_T_min 0.91 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details ' ' _exptl_crystal_colour colourless _exptl_crystal_density_diffrn 1.486 _exptl_crystal_density_method 'not measured' _exptl_crystal_description needle _exptl_crystal_F_000 720 _exptl_crystal_size_max 0.511 _exptl_crystal_size_mid 0.059 _exptl_crystal_size_min 0.042 _refine_diff_density_max 0.330 _refine_diff_density_min -0.244 _refine_diff_density_rms 0.046 _refine_ls_abs_structure_details ; Flack x determined using 3066 quotients [(I+)-(I-)]/[(I+)+(I-)] (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259). ; _refine_ls_abs_structure_Flack 0.012(12) _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.036 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 385 _refine_ls_number_reflns 7247 _refine_ls_number_restraints 1 _refine_ls_restrained_S_all 1.036 _refine_ls_R_factor_all 0.0292 _refine_ls_R_factor_gt 0.0249 _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^)+(0.0271P)^2^+0.2786P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0525 _refine_ls_wR_factor_ref 0.0539 _reflns_Friedel_coverage 0.923 _reflns_Friedel_fraction_full 1.000 _reflns_Friedel_fraction_max 0.995 _reflns_number_gt 6771 _reflns_number_total 7247 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file cs7b01296_si_002.cif _cod_data_source_block TCEN1_0m _cod_depositor_comments ; The following automatic conversions were performed: '_exptl_absorpt_correction_type' value 'Multi-Scan' changed to 'multi-scan' according to /home/data/users/saulius/crontab/automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26. Automatic conversion script Id: cif_fix_values 4973 2017-02-22 13:04:09Z antanas Adding full bibliography for 4514158.cif. ; _cod_database_code 4514158 _shelx_shelxl_version_number 2016/6 _shelx_space_group_comment ; The symmetry employed for this shelxl refinement is uniquely defined by the following loop, which should always be used as a source of symmetry information in preference to the above space-group names. They are only intended as comments. ; _shelx_estimated_absorpt_t_min 0.751 _shelx_estimated_absorpt_t_max 0.975 _shelx_res_file ; TITL TCEN1_0m_a.res in P2(1) TCEN1_0m.res created by SHELXL-2016/6 at 12:46:06 on 28-Mar-2017 REM Old TITL TCEN1_0m in P2(1) REM SHELXT solution in P2(1) REM R1 0.079, Rweak 0.036, Alpha 0.003, Orientation as input REM Flack x = 0.023 ( 0.011 ) from Parsons' quotients REM Formula found by SHELXT: C28 Cl6 O8 CELL 0.71073 7.1346 14.8376 15.0064 90.000 98.492 90.000 ZERR 4.000 0.0003 0.0006 0.0006 0.000 0.002 0.000 LATT -1 SYMM -X, 1/2+Y, -Z SFAC C H CL O UNIT 56 52 12 16 TEMP -163.150 SIZE 0.042 0.059 0.511 L.S. 10 BOND $H LIST 4 acta conf FMAP 2 PLAN 20 REM ##### WGHT 0.027100 0.278600 FVAR 0.26995 C1 1 0.411113 0.570245 0.047593 11.00000 0.01821 0.01443 = 0.01568 0.00270 0.00157 0.00451 O1 4 0.291436 0.525209 0.005371 11.00000 0.02563 0.02340 = 0.02125 -0.00113 -0.00315 -0.00240 C2 1 0.449602 0.584587 0.150270 11.00000 0.01427 0.01330 = 0.01510 -0.00049 0.00287 0.00101 O2 4 0.535930 0.620831 0.006523 11.00000 0.02007 0.02646 = 0.01557 0.00482 0.00252 -0.00010 C3 1 0.616205 0.648834 0.158829 11.00000 0.01294 0.01098 = 0.02119 0.00029 0.00357 0.00442 O3 4 0.461237 0.472251 0.266637 11.00000 0.03043 0.02322 = 0.01602 0.00383 0.00900 0.00500 C4 1 0.719891 0.690399 0.232547 11.00000 0.01881 0.01933 = 0.02404 -0.00526 0.00244 0.00316 AFIX 43 H4 2 0.698555 0.676457 0.292016 11.00000 -1.20000 AFIX 0 O4 4 0.623958 0.451192 0.149771 11.00000 0.01814 0.01079 = 0.01540 0.00240 0.00480 0.00355 C5 1 0.856076 0.753081 0.217318 11.00000 0.01485 0.02028 = 0.04041 -0.00973 -0.00071 0.00189 AFIX 43 H5 2 0.928609 0.782710 0.266977 11.00000 -1.20000 AFIX 0 C6 1 0.887349 0.772882 0.130683 11.00000 0.01285 0.02213 = 0.05025 0.00883 0.00488 -0.00102 AFIX 43 H6 2 0.979348 0.816999 0.121860 11.00000 -1.20000 AFIX 0 C7 1 0.787223 0.729703 0.056091 11.00000 0.01576 0.03007 = 0.03549 0.01395 0.00537 0.00217 AFIX 43 H7 2 0.809798 0.742376 -0.003463 11.00000 -1.20000 AFIX 0 C8 1 0.653945 0.667747 0.073289 11.00000 0.01338 0.01796 = 0.02267 0.00445 0.00059 0.00336 C9 1 0.274626 0.623599 0.183603 11.00000 0.01717 0.01733 = 0.02798 -0.00165 0.00662 0.00315 AFIX 137 H9A 2 0.300609 0.631889 0.249053 11.00000 -1.50000 H9B 2 0.167761 0.582085 0.168694 11.00000 -1.50000 H9C 2 0.243126 0.681879 0.154469 11.00000 -1.50000 AFIX 0 C10 1 0.508952 0.495963 0.197052 11.00000 0.01444 0.01490 = 0.01421 -0.00345 0.00015 -0.00082 C11 1 0.698558 0.362301 0.178281 11.00000 0.02164 0.01408 = 0.01651 0.00344 0.00421 0.00717 C12 1 0.799132 0.336224 0.096741 11.00000 0.01819 0.01413 = 0.01688 0.00047 0.00166 0.00246 C13 1 0.841120 0.371234 0.264190 11.00000 0.03628 0.04504 = 0.01662 0.00038 -0.00322 0.01724 AFIX 137 H13A 2 0.905622 0.313456 0.277731 11.00000 -1.50000 H13B 2 0.774659 0.388362 0.314308 11.00000 -1.50000 H13C 2 0.934667 0.417623 0.255723 11.00000 -1.50000 AFIX 0 C14 1 0.537042 0.297886 0.186972 11.00000 0.04025 0.01668 = 0.03730 0.00576 0.02254 -0.00168 AFIX 137 H14A 2 0.582181 0.235652 0.184860 11.00000 -1.50000 H14B 2 0.433746 0.307995 0.137227 11.00000 -1.50000 H14C 2 0.490893 0.308412 0.244441 11.00000 -1.50000 AFIX 0 CL1 3 0.983424 0.412619 0.080600 11.00000 0.01815 0.02319 = 0.03226 -0.00495 0.00803 -0.00348 CL2 3 0.635864 0.335616 -0.004528 11.00000 0.02791 0.02474 = 0.01610 -0.00475 0.00010 -0.00306 CL3 3 0.897916 0.226818 0.113751 11.00000 0.03994 0.01796 = 0.03433 0.00447 0.01386 0.01350 C1' 1 0.558108 0.482298 0.464168 11.00000 0.01908 0.02522 = 0.00763 -0.00052 -0.00081 -0.00496 O1' 4 0.685977 0.431658 0.460438 11.00000 0.01999 0.03417 = 0.01724 -0.00108 0.00399 0.00242 C2' 1 0.358147 0.460566 0.485231 11.00000 0.01509 0.01940 = 0.01192 0.00135 -0.00121 -0.00397 O2' 4 0.574681 0.573071 0.450200 11.00000 0.01793 0.02620 = 0.01895 0.00152 0.00463 -0.00688 C3' 1 0.264417 0.551787 0.472793 11.00000 0.01870 0.02043 = 0.01084 0.00422 -0.00103 -0.00255 O3' 4 0.275519 0.381690 0.615522 11.00000 0.01805 0.02473 = 0.01572 0.00402 0.00186 -0.00655 C4' 1 0.081433 0.580278 0.476872 11.00000 0.01802 0.03023 = 0.02220 0.00849 -0.00026 -0.00093 AFIX 43 H4' 2 -0.014050 0.538683 0.487501 11.00000 -1.20000 AFIX 0 O4' 4 0.521146 0.480276 0.630967 11.00000 0.01495 0.01849 = 0.00958 0.00145 -0.00114 -0.00384 C5' 1 0.041129 0.671402 0.464998 11.00000 0.02913 0.03448 = 0.02711 0.00686 0.00162 0.01036 AFIX 43 H5' 2 -0.083754 0.692376 0.467597 11.00000 -1.20000 AFIX 0 C6' 1 0.179989 0.732292 0.449415 11.00000 0.04470 0.02145 = 0.02507 0.00341 -0.00249 0.00496 AFIX 43 H6' 2 0.149269 0.794452 0.442616 11.00000 -1.20000 AFIX 0 C7' 1 0.362860 0.704019 0.443589 11.00000 0.03535 0.02171 = 0.02193 0.00478 -0.00085 -0.00936 AFIX 43 H7' 2 0.458418 0.745228 0.432174 11.00000 -1.20000 AFIX 0 C8' 1 0.399342 0.613541 0.455111 11.00000 0.01978 0.02269 = 0.01454 0.00137 -0.00019 -0.00357 C9' 1 0.261275 0.385042 0.425826 11.00000 0.02482 0.02551 = 0.01513 0.00021 -0.00277 -0.01059 AFIX 137 H9'A 2 0.137066 0.372226 0.443429 11.00000 -1.50000 H9'B 2 0.339887 0.330635 0.433462 11.00000 -1.50000 H9'C 2 0.244893 0.403943 0.362577 11.00000 -1.50000 AFIX 0 C10' 1 0.377109 0.434124 0.585180 11.00000 0.01169 0.01542 = 0.01416 -0.00039 0.00146 0.00136 C11' 1 0.578517 0.470460 0.728265 11.00000 0.01294 0.01794 = 0.00871 -0.00078 0.00075 -0.00203 C12' 1 0.764335 0.526765 0.741235 11.00000 0.01536 0.01327 = 0.01432 0.00104 0.00021 0.00068 C13' 1 0.620720 0.372455 0.753361 11.00000 0.02192 0.01871 = 0.01408 0.00461 -0.00206 -0.00337 AFIX 137 H13D 2 0.687673 0.369143 0.815183 11.00000 -1.50000 H13E 2 0.700099 0.346314 0.711992 11.00000 -1.50000 H13F 2 0.501580 0.338765 0.749076 11.00000 -1.50000 AFIX 0 C14' 1 0.429019 0.509964 0.778736 11.00000 0.01869 0.03749 = 0.02158 -0.00909 0.00617 0.00068 AFIX 137 H14D 2 0.477755 0.512081 0.843274 11.00000 -1.50000 H14E 2 0.315042 0.472273 0.768846 11.00000 -1.50000 H14F 2 0.397518 0.571103 0.756748 11.00000 -1.50000 AFIX 0 CL1' 3 0.932162 0.480296 0.678036 11.00000 0.01345 0.03233 = 0.02490 -0.00259 0.00610 -0.00093 CL2' 3 0.720997 0.639755 0.704420 11.00000 0.03388 0.01297 = 0.03479 0.00223 -0.00584 -0.00263 CL3' 3 0.867017 0.528049 0.856266 11.00000 0.02845 0.02833 = 0.01470 -0.00197 -0.00614 -0.00818 HKLF 4 REM TCEN1_0m_a.res in P2(1) REM R1 = 0.0249 for 6771 Fo > 4sig(Fo) and 0.0292 for all 7247 data REM 385 parameters refined using 1 restraints END WGHT 0.0271 0.2786 REM Highest difference peak 0.330, deepest hole -0.244, 1-sigma level 0.046 Q1 1 1.0159 0.4010 0.1368 11.00000 0.05 0.33 Q2 1 0.9792 0.2600 0.1413 11.00000 0.05 0.23 Q3 1 0.6643 0.5020 0.7379 11.00000 0.05 0.23 Q4 1 0.7450 0.3467 0.1409 11.00000 0.05 0.21 Q5 1 0.4186 0.5784 0.1028 11.00000 0.05 0.18 Q6 1 0.4679 0.5444 0.1733 11.00000 0.05 0.17 Q7 1 0.3765 0.4517 0.5348 11.00000 0.05 0.17 Q8 1 0.7540 0.7396 0.2192 11.00000 0.05 0.16 Q9 1 0.1622 0.6352 0.7408 11.00000 0.05 0.15 Q10 1 0.4474 0.4686 0.4760 11.00000 0.05 0.15 Q11 1 0.5481 0.4758 0.6789 11.00000 0.05 0.15 Q12 1 0.2489 0.5468 0.6815 11.00000 0.05 0.15 Q13 1 0.2598 0.7473 0.1992 11.00000 0.05 0.15 Q14 1 0.8572 0.5004 -0.0028 11.00000 0.05 0.15 Q15 1 0.6336 0.6631 0.1183 11.00000 0.05 0.14 Q16 1 0.8763 0.7429 0.1713 11.00000 0.05 0.14 Q17 1 0.0562 0.5175 0.2222 11.00000 0.05 0.14 Q18 1 -0.1257 0.7307 0.5878 11.00000 0.05 0.14 Q19 1 0.9772 0.4593 0.0134 11.00000 0.05 0.14 Q20 1 0.9762 0.6625 0.0035 11.00000 0.05 0.14 ; _shelx_res_checksum 93075 _shelx_hkl_file ; -1 0 0 441.20 8.36 -1 0 0 452.50 8.37 1 0 0 435.97 8.35 -1 0 0 444.79 8.54 -2 0 0 10.20 0.67 -2 0 0 10.33 0.73 2 0 0 10.20 0.67 -2 0 0 11.04 0.57 -2 0 0 10.58 0.88 2 0 0 10.78 0.58 -3 0 0 87.45 2.34 -3 0 0 86.64 2.35 -3 0 0 84.20 2.72 -3 0 0 85.98 2.15 3 0 0 84.49 2.30 4 0 0 18.27 1.18 -4 0 0 18.18 1.63 -4 0 0 19.94 1.07 -4 0 0 19.85 1.28 -4 0 0 21.32 1.28 -5 0 0 36.74 1.58 -5 0 0 35.59 2.47 -5 0 0 37.28 1.96 -5 0 0 35.05 1.57 -5 0 0 33.66 1.80 5 0 0 38.03 1.80 -6 0 0 17.60 1.76 -6 0 0 22.70 2.00 -6 0 0 21.53 1.63 -6 0 0 20.66 2.62 -6 0 0 17.65 1.78 -7 0 0 10.75 1.27 -7 0 0 11.01 1.32 -7 0 0 7.89 1.47 -7 0 0 6.68 2.14 -7 0 0 11.79 1.85 -8 0 0 13.93 2.59 -8 0 0 17.66 1.82 -8 0 0 14.44 1.99 -8 0 0 15.36 1.74 -8 0 0 18.32 1.88 -9 0 0 6.60 2.98 -9 0 0 3.27 1.64 -9 0 0 7.45 2.21 -1 -1 0 271.70 5.22 1 -1 0 258.28 4.91 1 -1 0 268.42 5.14 1 -1 0 267.27 5.10 1 -1 0 266.65 5.30 -1 -1 0 263.87 5.00 -1 -1 0 263.45 4.99 -1 -1 0 268.02 5.23 1 1 0 254.17 5.23 1 1 0 256.85 5.00 1 1 0 254.33 4.99 1 1 0 264.00 5.21 -1 1 0 264.90 5.13 -1 1 0 262.29 5.27 -1 1 0 258.28 4.90 -1 1 0 263.32 5.09 -2 -1 0 30.04 1.00 -2 -1 0 30.58 1.20 -2 -1 0 31.31 0.91 2 -1 0 29.09 1.08 -2 -1 0 29.51 1.26 2 1 0 31.72 1.33 -2 1 0 30.90 0.87 2 1 0 30.11 1.17 -2 1 0 31.19 1.13 -2 1 0 31.34 1.02 -3 -1 0 371.91 7.48 3 -1 0 368.79 7.57 -3 -1 0 376.61 8.01 -3 -1 0 375.42 7.29 3 -1 0 359.97 7.40 -3 -1 0 373.45 7.70 -3 1 0 364.16 7.41 -3 1 0 373.03 7.63 -3 1 0 362.79 7.21 -3 1 0 366.26 7.41 3 1 0 367.43 7.46 -4 -1 0 9.92 0.81 -4 -1 0 10.13 1.01 -4 -1 0 8.54 1.15 4 -1 0 9.26 0.98 -4 -1 0 8.01 0.93 4 -1 0 9.41 0.87 -4 1 0 7.44 0.82 -4 1 0 10.18 1.44 -4 1 0 9.11 0.74 -4 1 0 8.21 0.90 4 1 0 8.14 0.90 -4 1 0 8.56 0.88 -5 -1 0 6.94 0.96 -5 -1 0 4.80 0.95 -5 -1 0 7.78 0.84 5 -1 0 6.32 0.96 -5 -1 0 6.93 1.42 -5 1 0 9.27 1.22 -5 1 0 6.65 1.36 -5 1 0 5.39 1.24 -5 1 0 6.41 0.95 -5 1 0 5.90 0.72 -5 1 0 8.13 0.93 5 1 0 5.68 0.81 -6 -1 0 40.49 2.33 -6 -1 0 40.10 1.87 -6 -1 0 41.69 2.10 -6 -1 0 43.01 3.05 -6 -1 0 40.95 1.88 -6 -1 0 41.49 2.40 -6 1 0 43.57 1.84 -6 1 0 42.57 2.17 -6 1 0 39.04 2.49 -6 1 0 40.48 3.21 -6 1 0 44.11 2.16 -6 1 0 42.56 2.86 -7 -1 0 13.91 1.78 -7 -1 0 10.55 2.17 -7 -1 0 13.30 1.37 -7 -1 0 13.97 1.44 -7 -1 0 14.20 1.50 -7 -1 0 16.56 1.79 -7 1 0 14.48 1.55 -7 1 0 12.62 1.53 -7 1 0 13.43 1.31 -7 1 0 11.23 2.41 -7 1 0 17.96 2.17 -8 -1 0 3.24 1.62 -8 -1 0 1.44 2.13 -8 -1 0 2.83 1.15 -8 -1 0 3.08 1.55 -8 -1 0 2.62 1.52 -8 -1 0 3.71 1.40 -8 1 0 3.16 1.48 -8 1 0 2.75 1.52 -8 1 0 1.81 1.23 -8 1 0 1.03 2.05 -9 -1 0 5.25 2.66 -9 -1 0 2.94 1.59 -9 -1 0 5.13 2.51 -9 1 0 6.11 2.78 -9 1 0 8.27 2.12 -9 1 0 3.24 1.75 0 -2 0 612.10 11.69 0 2 0 638.31 11.70 -1 -2 0 292.77 5.90 -1 -2 0 311.55 6.08 -1 -2 0 300.80 5.63 1 -2 0 309.01 5.91 1 -2 0 306.83 5.94 1 -2 0 303.45 6.03 1 -2 0 292.86 5.61 -1 -2 0 305.86 5.76 -1 2 0 298.05 5.98 1 2 0 304.79 5.66 -1 2 0 297.33 5.63 1 2 0 303.52 5.76 1 2 0 308.91 6.08 -1 2 0 298.81 5.91 1 2 0 292.96 5.97 2 -2 0 294.68 6.09 -2 -2 0 302.14 6.32 -2 -2 0 294.99 5.89 -2 -2 0 299.95 5.88 -2 -2 0 298.90 6.30 -2 2 0 300.92 6.40 -2 2 0 300.57 5.71 2 2 0 297.07 6.40 -2 2 0 312.18 6.20 2 2 0 309.67 6.33 -2 2 0 302.54 6.09 2 2 0 302.96 5.91 3 -2 0 82.96 2.41 -3 -2 0 86.22 2.10 -3 -2 0 87.95 2.15 3 -2 0 86.92 2.35 -3 -2 0 86.01 2.23 -3 -2 0 88.03 2.62 -3 -2 0 91.79 2.73 -3 2 0 87.57 2.24 -3 2 0 86.27 2.33 -3 2 0 90.39 2.51 -3 2 0 82.49 2.71 3 2 0 84.76 2.77 3 2 0 90.03 2.25 -3 2 0 88.61 1.97 -4 -2 0 37.74 2.07 -4 -2 0 38.27 1.55 -4 -2 0 38.17 1.38 4 -2 0 36.23 1.64 -4 -2 0 38.20 1.85 4 -2 0 37.88 1.55 -4 -2 0 37.60 1.33 -4 2 0 36.90 1.50 -4 2 0 38.19 1.23 4 2 0 39.18 1.52 -4 2 0 36.92 2.51 -4 2 0 39.87 2.03 4 2 0 37.09 2.07 -4 2 0 38.90 1.58 -5 -2 0 37.08 1.54 -5 -2 0 34.87 2.42 -5 -2 0 34.82 1.50 5 -2 0 35.18 1.67 -5 -2 0 34.59 2.04 -5 2 0 38.07 2.11 -5 2 0 36.56 2.60 -5 2 0 34.52 2.26 -5 2 0 37.14 1.37 -5 2 0 35.49 1.65 5 2 0 34.71 1.66 -5 2 0 38.25 1.74 -6 -2 0 64.09 2.96 -6 -2 0 69.62 2.75 -6 -2 0 68.64 2.34 -6 -2 0 67.43 3.49 -6 -2 0 66.83 2.32 -6 2 0 67.14 3.36 -6 2 0 63.86 3.78 -6 2 0 67.00 2.65 -6 2 0 68.15 2.58 -6 2 0 65.56 2.11 -6 2 0 66.74 3.06 -7 -2 0 20.76 2.48 -7 -2 0 20.51 2.38 -7 -2 0 23.57 2.28 -7 -2 0 22.43 1.72 -7 -2 0 25.77 3.37 -7 -2 0 24.85 2.45 -7 2 0 22.73 1.98 -7 2 0 25.14 2.99 -7 2 0 26.06 2.88 -7 2 0 22.03 2.08 -7 2 0 18.41 2.64 -8 -2 0 8.58 1.47 -8 -2 0 10.71 2.04 -8 -2 0 5.93 1.29 -8 -2 0 7.83 1.89 -8 -2 0 4.22 1.88 -8 2 0 8.45 1.87 -8 2 0 10.72 2.45 -8 2 0 9.32 1.32 -8 2 0 9.76 1.60 -9 -2 0 0.31 1.45 -9 -2 0 -1.82 2.60 -9 -2 0 4.54 2.26 -9 2 0 4.24 1.81 -9 2 0 2.43 2.58 -9 2 0 2.70 1.85 0 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17.76 0.94 -4 -3 0 18.15 1.06 -4 -3 0 15.86 0.93 -4 -3 0 16.21 1.45 -4 3 0 16.60 1.37 -4 3 0 16.10 1.18 -4 3 0 14.53 0.99 -4 3 0 16.59 1.50 -4 3 0 17.33 0.75 4 3 0 16.37 1.01 4 3 0 14.66 1.53 -5 -3 0 23.81 1.42 5 -3 0 22.33 1.51 -5 -3 0 25.82 2.09 -5 -3 0 21.91 1.23 -5 -3 0 24.80 1.98 -5 -3 0 25.33 1.29 -5 3 0 22.43 2.02 -5 3 0 24.50 1.04 -5 3 0 21.96 1.82 5 3 0 23.65 1.40 -5 3 0 23.44 1.33 6 -3 0 24.85 1.79 -6 -3 0 24.18 1.83 -6 -3 0 25.17 1.51 -6 -3 0 25.55 1.51 -6 -3 0 24.12 2.25 -6 -3 0 18.67 2.52 -6 3 0 25.71 2.42 -6 3 0 25.56 1.89 -6 3 0 23.31 2.34 -6 3 0 23.21 2.98 -6 3 0 23.48 1.65 -6 3 0 23.56 1.21 -7 -3 0 13.46 1.62 -7 -3 0 16.91 1.72 -7 -3 0 12.66 2.14 -7 -3 0 15.64 1.53 -7 -3 0 16.71 2.01 -7 3 0 16.72 1.34 -7 3 0 12.03 2.37 -7 3 0 13.98 1.67 -7 3 0 15.73 2.25 -7 3 0 15.88 1.75 -7 3 0 10.65 1.95 -8 -3 0 9.62 1.51 -8 -3 0 11.08 2.01 -8 -3 0 6.78 1.97 -8 -3 0 8.09 2.09 -8 -3 0 9.16 1.32 -8 3 0 9.06 1.57 -8 3 0 10.44 2.47 -8 3 0 7.35 1.88 -8 3 0 9.93 1.28 -9 -3 0 -0.28 2.40 -9 3 0 -2.68 2.36 0 -4 0 137.32 3.00 0 -4 0 133.66 2.79 0 4 0 132.68 2.97 0 4 0 129.88 2.82 0 4 0 134.27 3.05 0 4 0 131.50 2.68 1 -4 0 155.45 3.48 -1 -4 0 150.12 3.23 -1 -4 0 151.72 2.90 1 -4 0 149.56 3.41 1 -4 0 154.29 3.17 -1 -4 0 151.77 3.63 -1 -4 0 151.20 3.30 1 4 0 151.64 2.91 1 4 0 155.24 3.30 -1 4 0 158.44 3.47 -1 4 0 154.66 3.23 -1 4 0 160.60 3.38 -1 4 0 157.02 3.32 1 4 0 153.61 3.64 1 4 0 154.16 3.37 2 -4 0 244.77 5.65 -2 -4 0 248.23 5.68 2 -4 0 241.49 4.79 -2 -4 0 253.42 5.35 2 -4 0 252.27 5.44 -2 -4 0 248.24 4.82 -2 -4 0 251.45 5.10 -2 4 0 258.15 5.43 2 4 0 251.16 5.57 -2 4 0 254.62 5.47 2 4 0 248.79 4.89 -2 4 0 252.40 5.41 2 4 0 258.89 5.72 -2 4 0 257.25 4.88 2 4 0 253.82 5.13 -3 -4 0 598.09 12.41 -3 -4 0 594.93 11.50 3 -4 0 594.42 12.05 -3 -4 0 599.73 12.15 -3 -4 0 603.21 11.61 3 -4 0 612.68 12.65 -3 4 0 613.32 12.03 -3 4 0 590.00 11.29 3 4 0 601.43 11.56 -3 4 0 608.19 12.14 3 4 0 629.35 12.44 3 4 0 590.26 11.65 -3 4 0 609.48 12.34 3 4 0 610.11 12.51 -4 -4 0 84.43 2.21 -4 -4 0 81.28 2.98 4 -4 0 85.92 2.65 -4 -4 0 84.24 2.26 4 4 0 81.60 3.11 -4 4 0 81.91 2.97 -4 4 0 83.81 2.81 -4 4 0 83.69 2.61 4 4 0 81.52 2.27 -4 4 0 82.08 1.89 -5 -4 0 49.28 1.88 -5 -4 0 48.96 1.71 -5 -4 0 50.22 1.74 -5 -4 0 48.65 2.56 -5 -4 0 48.46 2.56 5 -4 0 48.63 2.15 -5 4 0 48.50 1.39 -5 4 0 49.74 2.14 -5 4 0 48.90 1.73 5 4 0 43.46 2.75 -5 4 0 49.13 2.47 5 4 0 47.92 1.83 -5 4 0 47.60 2.61 -6 -4 0 10.14 1.01 -6 -4 0 9.68 1.57 6 -4 0 9.73 1.31 -6 -4 0 12.29 1.83 -6 -4 0 12.65 1.52 -6 -4 0 11.16 1.29 -6 4 0 14.53 1.38 -6 4 0 13.76 0.93 -6 4 0 11.04 1.42 -6 4 0 13.03 1.77 -6 4 0 10.57 2.11 -6 4 0 14.30 1.83 7 -4 0 25.09 2.26 -7 -4 0 29.12 3.23 -7 -4 0 24.15 2.12 -7 -4 0 25.16 2.78 -7 -4 0 24.93 1.86 -7 -4 0 26.16 1.68 -7 4 0 32.18 2.60 -7 4 0 22.92 1.33 -7 4 0 20.88 3.03 -7 4 0 27.70 3.01 -7 4 0 23.91 1.80 -8 -4 0 5.13 1.98 -8 -4 0 5.47 1.14 -8 -4 0 5.89 1.42 -8 -4 0 5.71 1.98 -8 -4 0 5.74 1.80 -8 4 0 5.46 1.35 -8 4 0 6.57 1.02 -8 4 0 4.44 2.03 -8 4 0 7.92 2.16 0 -5 0 0.61 0.34 0 -5 0 0.59 0.39 0 -5 0 0.37 0.26 0 5 0 0.37 0.42 0 5 0 0.55 0.32 0 5 0 0.77 0.22 0 5 0 1.44 0.32 -1 -5 0 69.54 1.39 -1 -5 0 69.52 1.71 1 -5 0 60.66 1.72 1 -5 0 68.01 1.90 1 -5 0 65.97 1.98 -1 -5 0 67.34 1.82 -1 -5 0 66.71 2.13 1 5 0 68.82 2.16 1 5 0 63.47 1.79 1 5 0 67.26 1.34 -1 5 0 68.10 1.79 -1 5 0 64.76 1.93 -1 5 0 68.88 1.76 1 5 0 66.44 1.81 -1 5 0 66.72 1.82 -2 -5 0 21.36 1.34 -2 -5 0 22.80 0.96 -2 -5 0 21.47 1.03 2 -5 0 22.96 1.32 2 -5 0 21.67 1.19 2 -5 0 22.67 0.71 -2 -5 0 23.27 0.57 -2 5 0 23.03 1.13 2 5 0 22.10 1.22 2 5 0 20.83 1.36 2 5 0 23.32 0.70 2 5 0 22.83 0.99 -2 5 0 25.03 1.20 -2 5 0 22.29 0.83 3 -5 0 0.35 0.23 -3 -5 0 0.42 0.45 -3 -5 0 0.50 0.34 -3 -5 0 0.30 0.25 3 -5 0 0.74 0.69 3 -5 0 0.19 0.47 -3 -5 0 -0.10 0.67 3 5 0 0.55 0.41 -3 5 0 0.25 0.51 3 5 0 0.59 0.37 3 5 0 0.06 0.54 -3 5 0 0.23 0.25 -3 5 0 -0.42 0.51 -3 5 0 -0.05 0.51 3 5 0 -0.78 0.65 -4 -5 0 88.63 3.23 -4 -5 0 90.44 2.99 -4 -5 0 89.40 2.25 4 -5 0 90.64 2.85 -4 -5 0 87.14 2.33 -4 5 0 86.63 2.84 -4 5 0 87.85 2.98 4 5 0 89.01 2.32 -4 5 0 90.52 3.09 4 5 0 83.78 3.22 4 5 0 85.94 3.27 -4 5 0 88.54 1.97 -5 -5 0 138.08 4.50 -5 -5 0 138.02 3.44 -5 -5 0 133.46 4.28 -5 -5 0 139.54 3.41 -5 -5 0 137.72 3.44 5 -5 0 138.73 4.02 -5 5 0 148.49 4.10 5 5 0 140.79 3.51 -5 5 0 141.23 3.00 -5 5 0 144.41 4.50 -5 5 0 147.98 4.36 5 5 0 138.18 4.79 -5 5 0 141.03 3.29 -6 -5 0 25.28 2.47 -6 -5 0 24.23 2.39 -6 -5 0 21.95 1.59 -6 -5 0 21.66 1.35 -6 -5 0 20.29 1.44 6 -5 0 20.36 1.94 -6 5 0 21.06 2.10 -6 5 0 20.83 2.34 6 5 0 23.37 2.61 -6 5 0 20.30 1.00 -6 5 0 21.27 2.57 -6 5 0 18.31 1.33 -7 -5 0 7.02 1.00 7 -5 0 7.61 1.46 -7 -5 0 6.87 1.85 -7 -5 0 5.81 1.91 -7 -5 0 8.02 1.29 -7 -5 0 7.65 1.15 -7 5 0 7.05 1.00 -7 5 0 7.80 1.69 -7 5 0 7.58 0.78 -7 5 0 5.59 1.72 -8 -5 0 10.87 1.84 -8 -5 0 7.61 1.26 -8 -5 0 10.18 2.42 -8 -5 0 6.00 1.81 -8 5 0 6.18 2.16 -8 5 0 8.44 1.15 -8 5 0 8.06 2.18 -8 5 0 8.34 1.02 0 -6 0 68.32 2.03 0 -6 0 65.73 1.95 0 -6 0 63.75 1.70 0 6 0 63.03 1.90 0 6 0 59.76 1.66 0 6 0 66.89 1.63 0 6 0 61.71 1.70 0 6 0 67.56 2.07 -1 -6 0 466.47 9.05 1 -6 0 476.50 9.12 -1 -6 0 462.32 9.62 -1 -6 0 467.82 9.25 1 -6 0 474.00 9.33 1 -6 0 470.25 9.48 1 6 0 468.29 9.64 1 6 0 460.42 9.22 1 6 0 449.69 9.19 -1 6 0 470.36 9.42 -1 6 0 461.53 9.08 -1 6 0 463.37 9.18 -1 6 0 471.38 9.20 1 6 0 446.49 8.60 -2 -6 0 231.44 5.08 -2 -6 0 230.67 5.63 -2 -6 0 234.61 4.47 2 -6 0 232.95 4.74 2 -6 0 232.41 5.43 -2 -6 0 236.20 5.08 2 -6 0 244.39 5.61 -2 6 0 240.14 5.23 -2 6 0 250.35 5.45 2 6 0 241.71 5.74 -2 6 0 247.92 5.36 2 6 0 244.05 4.59 2 6 0 237.14 5.46 2 6 0 240.23 5.11 -2 6 0 243.70 4.92 -3 -6 0 8.29 0.46 -3 -6 0 6.90 0.95 3 -6 0 9.31 0.51 3 -6 0 8.89 1.07 -3 -6 0 11.42 1.40 -3 -6 0 10.18 0.80 3 -6 0 10.50 1.41 -3 6 0 9.79 1.22 3 6 0 10.19 1.30 -3 6 0 10.78 1.09 -3 6 0 10.24 1.40 3 6 0 8.95 1.21 -3 6 0 9.51 0.63 3 6 0 10.56 0.65 3 6 0 10.25 0.89 -4 -6 0 7.85 0.85 -4 -6 0 7.99 0.70 -4 -6 0 8.36 1.33 4 -6 0 10.23 1.26 -4 -6 0 7.78 1.03 4 -6 0 7.26 1.39 4 6 0 9.08 1.40 4 6 0 7.63 1.35 -4 6 0 10.79 1.25 -4 6 0 9.81 0.63 4 6 0 9.73 0.81 -4 6 0 9.87 1.35 -4 6 0 10.93 1.37 4 6 0 9.70 1.02 -5 -6 0 30.16 1.34 -5 -6 0 29.96 1.39 5 -6 0 28.65 1.95 -5 -6 0 26.58 2.30 -5 -6 0 31.08 2.09 -5 6 0 28.28 1.21 -5 6 0 28.62 0.97 -5 6 0 31.71 2.13 5 6 0 27.50 2.45 -5 6 0 31.89 2.24 -5 6 0 30.14 2.16 5 6 0 29.07 1.42 -6 -6 0 3.62 1.45 -6 -6 0 1.89 1.39 -6 -6 0 0.80 0.77 6 -6 0 2.20 1.09 -6 -6 0 1.83 0.67 -6 6 0 1.52 1.20 6 6 0 -0.28 1.25 -6 6 0 1.38 1.26 -6 6 0 1.85 0.46 -6 6 0 -0.09 1.35 -7 -6 0 45.08 2.21 7 -6 0 47.48 2.90 -7 -6 0 45.56 2.35 -7 -6 0 45.82 1.94 -7 -6 0 48.42 3.67 -7 6 0 45.26 3.38 -7 6 0 44.10 1.42 -7 6 0 37.92 2.28 -7 6 0 44.40 3.24 -8 -6 0 11.02 1.86 -8 -6 0 10.03 1.31 -8 -6 0 7.03 2.49 8 -6 0 12.86 2.02 -8 6 0 10.14 2.25 -8 6 0 13.34 3.32 0 -7 0 1.93 0.50 0 -7 0 0.73 0.47 0 -7 0 0.01 0.33 0 7 0 1.23 0.45 0 7 0 0.56 0.34 0 7 0 1.28 0.35 0 7 0 1.11 0.28 0 7 0 1.14 0.56 1 -7 0 292.64 6.06 1 -7 0 293.86 6.43 -1 -7 0 284.69 6.19 -1 -7 0 326.44 6.10 -1 -7 0 287.34 6.56 1 -7 0 294.50 6.24 1 7 0 280.91 6.13 -1 7 0 287.18 6.09 -1 7 0 289.84 6.18 1 7 0 293.04 6.60 -1 7 0 283.73 5.96 1 7 0 274.61 5.46 -1 7 0 292.78 6.38 1 7 0 290.61 6.18 -2 -7 0 59.48 1.85 -2 -7 0 59.70 1.24 -2 -7 0 60.70 2.41 -2 -7 0 60.29 1.82 2 -7 0 61.34 1.60 2 -7 0 62.64 2.30 2 -7 0 56.22 2.14 2 7 0 57.57 1.86 2 7 0 56.58 2.08 -2 7 0 56.86 2.13 -2 7 0 59.35 1.74 2 7 0 63.74 2.51 -2 7 0 56.44 2.02 -2 7 0 61.52 1.90 3 -7 0 87.00 1.96 3 -7 0 88.26 3.26 -3 -7 0 90.90 2.45 -3 -7 0 81.06 3.07 -3 -7 0 92.07 2.62 3 -7 0 88.44 2.91 -3 -7 0 89.56 1.80 3 7 0 85.52 3.05 -3 7 0 90.78 2.94 3 7 0 87.20 1.96 3 7 0 90.39 2.52 -3 7 0 89.07 2.89 3 7 0 90.98 3.32 -3 7 0 88.40 2.15 -3 7 0 85.99 2.70 -4 -7 0 7.53 0.56 -4 -7 0 7.69 1.02 4 -7 0 7.20 1.59 4 -7 0 6.32 1.03 -4 -7 0 8.88 1.46 -4 -7 0 8.31 0.93 4 7 0 9.38 1.37 -4 7 0 7.82 1.25 4 7 0 8.36 0.92 -4 7 0 7.94 1.14 4 7 0 7.68 0.74 -4 7 0 6.47 0.65 4 7 0 9.76 1.61 -4 7 0 8.02 1.22 -5 -7 0 36.52 2.24 -5 -7 0 34.20 1.27 5 -7 0 35.35 2.25 -5 -7 0 32.86 1.55 -5 -7 0 33.91 2.60 -5 7 0 31.99 2.15 -5 7 0 33.18 0.99 -5 7 0 31.96 2.42 -5 7 0 31.11 1.08 5 7 0 33.91 2.66 -5 7 0 35.06 2.28 -6 -7 0 6.38 0.86 6 -7 0 3.91 1.29 -6 -7 0 5.78 1.68 -6 -7 0 9.08 1.72 -6 -7 0 4.88 0.92 -6 -7 0 6.23 0.88 -6 7 0 5.20 1.82 6 7 0 3.65 1.61 -6 7 0 3.68 1.39 -7 -7 0 24.64 1.93 -7 -7 0 21.99 2.71 7 -7 0 25.46 3.12 -7 -7 0 23.82 1.68 -7 -7 0 25.44 1.90 -7 7 0 20.54 2.32 -7 7 0 20.69 2.90 7 7 0 26.12 3.65 -8 -7 0 20.07 2.18 -8 -7 0 15.86 1.85 -8 -7 0 13.15 2.76 8 -7 0 13.11 2.12 -8 7 0 13.28 2.42 0 -8 0 158.72 4.01 0 -8 0 161.00 4.04 0 -8 0 166.63 3.71 0 8 0 155.60 3.52 0 8 0 159.71 3.96 0 8 0 159.01 3.35 0 8 0 159.17 4.13 0 8 0 161.47 3.67 -1 -8 0 157.56 3.70 -1 -8 0 150.20 3.83 1 -8 0 156.68 3.72 1 -8 0 159.42 3.95 1 -8 0 157.95 4.05 -1 -8 0 159.13 4.23 1 8 0 159.26 3.85 1 8 0 156.58 3.21 -1 8 0 154.35 3.86 1 8 0 150.36 3.73 -1 8 0 154.62 3.60 -1 8 0 154.18 4.00 -1 8 0 155.32 3.70 1 8 0 155.41 4.26 1 8 0 153.76 3.04 2 -8 0 81.79 2.74 2 -8 0 83.58 2.14 -2 -8 0 83.26 2.35 -2 -8 0 82.97 2.46 -2 -8 0 84.38 3.05 2 -8 0 88.25 2.91 -2 8 0 87.32 2.65 2 8 0 84.65 2.45 2 8 0 83.73 3.13 -2 8 0 81.16 2.69 -2 8 0 81.13 2.33 2 8 0 86.33 2.72 -2 8 0 83.03 2.39 3 -8 0 101.31 3.58 3 -8 0 101.53 3.27 3 -8 0 94.86 2.25 -3 -8 0 96.21 3.52 -3 -8 0 100.22 2.76 -3 -8 0 101.77 2.82 -3 8 0 104.39 3.26 -3 8 0 102.93 2.99 3 8 0 102.56 2.84 3 8 0 94.99 3.56 -3 8 0 97.42 2.46 -3 8 0 100.74 3.24 3 8 0 98.65 3.38 -4 -8 0 103.47 3.86 4 -8 0 101.38 2.19 4 -8 0 107.21 4.15 -4 -8 0 101.36 2.82 -4 -8 0 103.34 3.14 4 -8 0 102.19 3.51 -4 -8 0 99.97 2.10 4 8 0 101.97 4.02 -4 8 0 102.83 3.48 -4 8 0 99.13 2.33 -4 8 0 99.06 3.29 -4 8 0 98.79 3.52 4 8 0 100.55 2.94 4 8 0 95.39 3.77 -5 -8 0 66.55 1.69 -5 -8 0 64.52 2.76 -5 -8 0 68.82 2.23 -5 -8 0 61.89 3.33 5 -8 0 63.00 2.94 -5 8 0 71.61 3.28 -5 8 0 66.97 2.91 -5 8 0 65.55 2.99 5 8 0 66.09 3.53 -6 -8 0 26.13 1.57 -6 -8 0 26.33 2.46 6 -8 0 26.54 2.42 -6 -8 0 22.56 3.36 -6 -8 0 26.12 1.31 -6 8 0 30.74 2.84 -6 8 0 27.24 2.41 -7 -8 0 97.21 5.10 7 -8 0 88.65 4.13 -7 -8 0 86.89 3.07 -7 -8 0 89.90 2.89 -7 -8 0 96.01 2.81 7 8 0 86.96 5.16 -7 8 0 95.54 4.43 -8 -8 0 27.48 2.07 8 -8 0 28.18 2.89 -8 -8 0 30.55 3.55 -8 8 0 26.59 3.67 0 -9 0 0.01 0.54 0 -9 0 0.20 0.43 0 -9 0 0.31 0.58 0 9 0 -0.62 0.60 0 9 0 0.14 0.73 0 9 0 -0.14 0.27 0 9 0 -0.03 0.41 0 9 0 0.16 0.41 1 -9 0 169.62 4.44 -1 -9 0 164.89 4.59 1 -9 0 167.97 4.09 -1 -9 0 169.56 4.01 1 -9 0 170.60 4.24 -1 -9 0 166.13 4.23 -1 9 0 179.44 4.33 -1 9 0 172.21 4.05 -1 9 0 170.76 3.85 1 9 0 159.23 4.05 -1 9 0 176.38 4.41 1 9 0 173.91 4.25 -1 9 0 173.81 4.06 1 9 0 152.85 5.17 1 9 0 170.25 3.53 -2 -9 0 29.16 1.34 2 -9 0 30.75 1.87 2 -9 0 27.57 1.24 -2 -9 0 28.78 1.97 -2 -9 0 28.56 1.47 2 -9 0 26.99 1.74 2 9 0 30.53 1.65 -2 9 0 29.23 1.35 2 9 0 29.68 1.54 2 9 0 26.38 2.18 -2 9 0 28.63 1.77 -2 9 0 29.33 1.48 -3 -9 0 6.20 0.82 3 -9 0 4.91 1.05 3 -9 0 5.45 1.20 -3 -9 0 5.52 0.79 3 -9 0 6.11 0.64 -3 -9 0 8.21 1.37 3 9 0 6.78 1.45 -3 9 0 6.33 0.75 3 9 0 5.94 1.06 3 9 0 7.66 0.95 -3 9 0 4.90 1.02 -3 9 0 5.29 1.06 -3 9 0 4.41 0.75 4 -9 0 9.91 1.88 -4 -9 0 11.50 1.37 -4 -9 0 10.41 1.15 4 -9 0 9.29 0.64 -4 -9 0 9.95 1.67 4 -9 0 10.53 1.47 4 9 0 9.93 1.79 -4 9 0 7.81 1.32 4 9 0 7.40 1.35 4 9 0 10.56 1.13 -4 9 0 8.82 0.86 -4 9 0 9.09 1.36 -4 9 0 9.44 1.34 5 -9 0 39.98 3.91 -5 -9 0 42.79 2.32 -5 -9 0 44.14 1.87 -5 -9 0 42.41 3.09 5 -9 0 39.46 2.60 -5 -9 0 42.85 1.13 -5 9 0 45.64 2.45 -5 9 0 39.78 2.78 -5 9 0 41.65 2.96 5 9 0 43.09 3.08 5 9 0 45.96 2.18 -6 -9 0 9.53 2.02 -6 -9 0 11.57 1.40 -6 -9 0 9.70 1.53 -6 -9 0 9.47 0.91 -6 9 0 11.15 1.71 6 9 0 13.85 2.40 -6 9 0 10.40 1.96 -7 -9 0 15.93 2.79 7 -9 0 14.78 2.20 -7 -9 0 14.57 1.32 -7 -9 0 18.17 1.75 7 9 0 12.27 2.79 -7 9 0 15.37 2.22 -8 -9 0 -0.44 2.63 8 -9 0 -0.47 2.12 -8 9 0 -1.46 1.77 0 -10 0 58.32 2.37 0 -10 0 57.07 2.03 0 -10 0 56.75 2.31 0 10 0 63.61 2.63 0 10 0 60.94 1.60 0 10 0 60.57 2.34 0 10 0 60.31 1.85 0 10 0 61.58 2.00 1 -10 0 54.80 2.33 -1 -10 0 59.65 1.99 -1 -10 0 57.47 2.26 1 -10 0 57.79 2.16 1 -10 0 60.47 2.28 -1 -10 0 56.20 2.51 -1 10 0 61.19 2.11 1 10 0 60.93 2.33 1 10 0 61.47 2.83 1 10 0 56.77 2.10 -1 10 0 62.17 1.88 1 10 0 61.00 1.62 -1 10 0 62.26 2.13 1 10 0 62.15 1.38 -1 10 0 61.32 2.43 -1 10 0 62.39 2.38 2 -10 0 200.39 4.50 -2 -10 0 198.79 4.66 -2 -10 0 202.75 5.58 2 -10 0 210.03 5.42 -2 -10 0 198.43 4.88 2 -10 0 191.79 5.24 2 10 0 200.02 4.88 -2 10 0 201.55 4.65 -2 10 0 194.18 4.77 -2 10 0 196.90 5.24 2 10 0 200.82 5.14 -2 10 0 195.74 4.96 2 10 0 198.16 5.71 3 -10 0 21.55 1.02 3 -10 0 19.96 1.83 -3 -10 0 21.27 1.45 -3 -10 0 20.61 2.00 3 -10 0 23.76 2.21 -3 -10 0 22.44 1.43 3 10 0 22.52 2.45 3 10 0 20.83 1.56 -3 10 0 21.54 1.44 -3 10 0 19.13 1.90 -3 10 0 21.03 1.95 3 10 0 19.39 1.93 -3 10 0 21.90 1.37 -4 -10 0 56.94 2.18 -4 -10 0 57.34 2.30 -4 -10 0 56.44 3.22 4 -10 0 53.08 2.76 4 -10 0 51.69 3.58 4 10 0 55.80 2.40 4 10 0 57.63 3.68 -4 10 0 58.02 2.43 4 10 0 60.81 3.14 -4 10 0 52.83 2.91 -4 10 0 56.59 2.95 -4 10 0 57.48 1.74 -5 -10 0 2.31 1.10 -5 -10 0 1.39 0.79 5 -10 0 3.60 2.33 -5 -10 0 2.57 1.80 5 -10 0 2.39 1.36 -5 10 0 4.11 1.68 -5 10 0 3.05 1.63 5 10 0 0.67 1.34 -5 10 0 2.69 1.09 5 10 0 2.65 1.09 -6 -10 0 14.42 1.57 6 -10 0 16.19 2.19 -6 -10 0 11.25 2.25 -6 -10 0 14.06 0.75 -6 10 0 12.04 1.74 6 10 0 14.31 2.50 -7 -10 0 4.70 1.17 7 -10 0 4.91 2.02 -7 -10 0 5.08 2.46 -7 -10 0 4.71 1.63 -7 -10 0 4.33 0.84 -7 10 0 6.29 1.81 7 10 0 5.33 2.62 0 -11 0 0.44 0.74 0 -11 0 -0.51 0.78 0 -11 0 0.65 0.61 0 11 0 0.38 0.55 0 11 0 0.74 0.83 0 11 0 -0.50 0.94 0 11 0 1.45 0.57 0 11 0 0.67 0.35 1 -11 0 6.16 0.97 -1 -11 0 8.04 0.92 1 -11 0 5.68 0.91 1 -11 0 6.87 1.17 -1 -11 0 6.84 1.25 -1 -11 0 6.37 0.98 1 11 0 7.72 1.15 -1 11 0 6.82 0.75 1 11 0 6.61 0.93 -1 11 0 7.84 1.09 1 11 0 6.88 1.43 1 11 0 8.02 0.76 -1 11 0 6.20 1.17 -1 11 0 6.51 1.12 1 11 0 7.00 0.47 -1 11 0 7.60 0.97 2 -11 0 30.55 1.51 2 -11 0 34.33 2.16 2 -11 0 31.50 2.24 -2 -11 0 33.30 1.82 -2 -11 0 33.28 1.81 -2 -11 0 34.85 2.44 2 11 0 32.90 2.01 -2 11 0 34.18 1.91 -2 11 0 35.64 2.02 -2 11 0 34.91 1.62 -2 11 0 34.60 1.66 2 11 0 37.54 2.81 -2 11 0 32.24 2.14 2 11 0 33.35 1.92 3 -11 0 36.93 2.37 3 -11 0 34.66 1.34 -3 -11 0 35.67 2.60 3 -11 0 32.74 2.81 -3 -11 0 36.28 1.89 -3 -11 0 34.84 1.75 -3 11 0 29.93 1.69 3 11 0 32.64 2.00 -3 11 0 29.26 2.32 3 11 0 30.41 2.23 3 11 0 33.53 3.02 -3 11 0 29.37 2.33 -3 11 0 31.43 1.70 -4 -11 0 15.71 1.54 -4 -11 0 15.56 2.18 -4 -11 0 14.48 1.62 4 -11 0 16.39 0.84 4 -11 0 17.33 2.56 4 -11 0 13.24 1.69 4 11 0 17.54 1.82 -4 11 0 16.12 1.90 4 11 0 11.93 2.16 -4 11 0 16.16 1.25 -4 11 0 17.07 1.61 -4 11 0 14.90 1.81 4 11 0 15.77 1.98 -5 -11 0 6.73 1.98 5 -11 0 3.23 1.43 -5 -11 0 6.69 1.22 -5 -11 0 3.42 0.95 5 11 0 4.89 1.75 5 11 0 2.74 1.28 -5 11 0 2.76 1.80 -5 11 0 2.12 1.66 -5 11 0 1.45 1.02 6 -11 0 2.00 1.78 -6 -11 0 -2.39 1.96 -6 -11 0 1.43 0.96 6 11 0 -1.18 1.93 -6 11 0 -0.57 1.25 -7 -11 0 0.47 2.48 7 -11 0 -0.89 1.97 -7 -11 0 -1.67 1.16 -7 11 0 -1.34 1.53 7 11 0 0.48 2.50 0 -12 0 75.57 2.59 0 -12 0 72.79 2.91 0 -12 0 73.42 2.94 0 12 0 70.80 2.27 0 12 0 73.61 1.89 0 12 0 70.64 2.90 0 12 0 71.97 2.55 0 12 0 71.24 3.19 -1 -12 0 16.78 1.95 1 -12 0 12.97 1.49 -1 -12 0 10.62 1.27 -1 -12 0 12.57 1.44 1 -12 0 9.88 1.36 1 -12 0 10.91 1.22 1 12 0 9.53 1.31 -1 12 0 13.56 1.33 1 12 0 12.70 0.93 1 12 0 13.99 1.87 -1 12 0 9.33 1.00 1 12 0 12.05 0.57 -1 12 0 13.36 1.57 -1 12 0 11.47 1.50 1 12 0 9.17 1.31 2 -12 0 101.34 3.72 2 -12 0 101.90 2.91 -2 -12 0 97.36 3.32 -2 -12 0 99.26 3.13 2 -12 0 101.32 3.84 -2 -12 0 97.44 3.85 2 12 0 92.79 3.37 -2 12 0 103.19 3.43 2 12 0 103.43 3.42 -2 12 0 99.71 2.99 -2 12 0 103.86 3.77 2 12 0 100.65 4.23 -2 12 0 99.85 3.32 -2 12 0 97.12 3.06 -3 -12 0 9.97 1.75 -3 -12 0 9.39 1.16 3 -12 0 10.75 2.12 3 -12 0 9.12 1.02 3 -12 0 8.50 1.52 -3 -12 0 10.82 1.28 3 12 0 13.04 1.44 3 12 0 15.17 2.31 -3 12 0 8.89 1.67 -3 12 0 16.52 1.82 -3 12 0 10.83 1.35 -3 12 0 11.30 1.28 3 12 0 11.01 1.50 -4 -12 0 20.83 1.89 -4 -12 0 26.30 2.96 4 -12 0 25.57 3.06 4 -12 0 22.01 2.49 4 -12 0 25.67 1.07 -4 -12 0 28.82 1.92 -4 12 0 22.51 2.25 -4 12 0 26.50 1.87 4 12 0 17.85 2.58 4 12 0 21.85 2.64 -4 12 0 27.99 2.87 4 12 0 26.33 2.14 -4 12 0 27.50 1.52 5 -12 0 23.87 2.75 -5 -12 0 28.93 3.40 -5 -12 0 26.09 2.01 5 12 0 25.10 2.52 5 12 0 25.82 3.35 -5 12 0 24.73 2.12 6 -12 0 29.88 3.58 -6 -12 0 33.53 2.28 -6 -12 0 33.85 4.02 6 12 0 28.19 3.36 -6 12 0 28.95 2.64 -7 -12 0 11.02 1.55 7 -12 0 15.58 2.71 -7 -12 0 17.26 3.35 -7 12 0 9.56 1.99 7 12 0 10.59 3.10 0 -13 0 -0.05 1.04 0 -13 0 -1.17 0.82 0 -13 0 -0.18 0.79 0 13 0 0.66 0.71 0 13 0 1.10 1.33 0 13 0 -0.46 0.63 0 13 0 0.14 0.36 0 13 0 0.45 1.06 1 -13 0 4.69 1.13 -1 -13 0 4.99 1.20 -1 -13 0 3.95 1.36 1 -13 0 5.39 1.22 -1 -13 0 5.05 1.02 1 -13 0 3.78 1.07 -1 13 0 5.88 1.11 -1 13 0 6.17 0.99 1 13 0 6.80 1.10 1 13 0 4.35 1.76 1 13 0 6.43 1.28 1 13 0 5.49 0.69 -1 13 0 4.58 1.43 -1 13 0 7.77 1.52 1 13 0 5.37 0.52 -1 13 0 5.79 0.76 -2 -13 0 91.69 3.35 2 -13 0 89.24 3.86 -2 -13 0 89.40 2.99 2 -13 0 85.12 3.52 -2 -13 0 89.64 3.80 2 -13 0 91.27 2.86 -2 13 0 91.58 3.35 2 13 0 87.31 3.36 -2 13 0 93.37 2.88 -2 13 0 88.24 3.10 2 13 0 88.98 3.40 2 13 0 94.40 4.38 -2 13 0 89.78 3.81 3 -13 0 49.70 3.19 -3 -13 0 54.16 2.58 3 -13 0 51.86 3.74 -3 -13 0 49.66 2.55 -3 -13 0 45.84 5.18 3 -13 0 56.67 1.94 3 13 0 53.92 3.05 3 13 0 51.93 2.73 -3 13 0 52.12 2.59 3 13 0 49.97 4.12 -3 13 0 52.27 2.48 -3 13 0 50.93 2.45 -3 13 0 49.80 2.94 -3 13 0 49.14 3.29 -4 -13 0 13.49 1.87 -4 -13 0 14.97 2.27 4 -13 0 16.38 1.04 4 -13 0 13.80 2.16 -4 -13 0 17.50 2.00 -4 13 0 17.72 1.63 -4 13 0 17.53 2.15 4 13 0 16.65 2.14 -4 13 0 18.23 1.80 4 13 0 19.83 2.35 -5 -13 0 46.84 2.61 5 -13 0 41.92 3.51 -5 -13 0 49.55 4.07 -5 13 0 47.59 2.69 5 13 0 50.15 4.06 5 13 0 48.43 3.20 -6 -13 0 20.60 3.08 -6 -13 0 25.99 2.49 6 -13 0 25.92 3.00 6 13 0 29.80 3.66 -6 13 0 28.14 2.67 0 -14 0 4.66 1.24 0 -14 0 5.28 1.36 0 -14 0 4.49 1.19 0 14 0 6.35 0.63 0 14 0 6.52 1.03 0 14 0 7.26 1.75 0 14 0 2.97 0.96 0 14 0 5.92 1.69 1 -14 0 5.03 1.36 -1 -14 0 4.79 1.43 -1 -14 0 5.25 1.13 1 -14 0 5.69 1.22 1 -14 0 7.07 1.39 -1 -14 0 3.59 1.23 1 14 0 3.98 1.82 1 14 0 6.04 1.52 -1 14 0 4.24 1.14 1 14 0 5.09 0.73 1 14 0 2.41 0.92 -1 14 0 3.83 1.04 -1 14 0 4.69 1.62 -1 14 0 5.36 0.77 -1 14 0 5.99 1.57 1 14 0 4.56 0.54 2 -14 0 15.78 1.64 -2 -14 0 16.99 2.02 -2 -14 0 17.77 2.11 2 -14 0 19.60 2.18 -2 -14 0 17.85 1.78 2 -14 0 14.72 2.01 -2 14 0 19.22 1.76 -2 14 0 19.93 2.40 -2 14 0 16.64 2.10 -2 14 0 17.81 2.14 2 14 0 13.11 2.04 2 14 0 19.28 2.79 2 14 0 20.81 2.40 -2 14 0 17.35 1.55 3 -14 0 14.31 1.37 3 -14 0 16.37 2.18 -3 -14 0 15.64 1.74 -3 -14 0 18.64 2.50 -3 -14 0 15.12 1.95 -3 14 0 13.58 1.98 3 14 0 17.78 1.94 -3 14 0 18.07 1.85 -3 14 0 16.66 1.65 -3 14 0 13.11 1.71 3 14 0 14.84 1.98 -4 -14 0 35.09 3.52 4 -14 0 30.28 3.21 4 -14 0 30.38 1.35 -4 -14 0 34.76 2.47 -4 14 0 28.66 2.17 4 14 0 30.52 3.17 4 14 0 32.37 2.95 -4 14 0 30.76 2.04 -4 14 0 31.19 2.47 -5 -14 0 7.55 1.54 -5 -14 0 6.19 2.51 5 -14 0 3.56 2.06 -5 14 0 7.94 1.75 -5 14 0 8.14 1.53 5 14 0 4.92 1.94 5 14 0 5.75 2.29 -6 -14 0 4.36 2.85 6 -14 0 0.13 2.46 -6 -14 0 2.91 1.57 6 14 0 1.92 2.71 -6 14 0 2.25 1.44 -6 14 0 4.03 1.93 0 -15 0 0.67 1.09 0 -15 0 -0.54 1.21 0 15 0 0.87 0.91 0 15 0 -0.44 1.71 0 15 0 0.36 1.61 0 15 0 -0.37 0.36 0 15 0 -0.10 0.79 -1 -15 0 1.26 1.00 -1 -15 0 1.22 1.33 1 -15 0 0.44 1.16 1 -15 0 3.29 1.57 -1 -15 0 0.62 1.47 1 15 0 0.87 1.65 -1 15 0 1.09 1.57 1 15 0 2.30 0.95 -1 15 0 -0.61 1.09 -1 15 0 1.34 1.64 1 15 0 1.01 0.70 -1 15 0 3.43 0.98 1 15 0 -0.01 1.93 -1 15 0 2.68 0.68 2 -15 0 7.92 1.83 -2 -15 0 7.81 1.52 -2 -15 0 6.00 1.90 2 -15 0 7.65 1.21 2 15 0 6.68 2.28 2 15 0 12.88 1.99 -2 15 0 8.89 1.59 -2 15 0 8.12 1.69 2 15 0 6.99 1.51 -2 15 0 7.64 1.08 -2 15 0 6.85 1.18 3 -15 0 24.33 1.70 -3 -15 0 23.68 2.84 3 -15 0 22.19 2.62 -3 -15 0 21.99 2.37 -3 15 0 25.08 2.04 3 15 0 22.03 2.30 -3 15 0 22.08 2.17 3 15 0 25.54 2.85 -3 15 0 25.87 3.10 -3 15 0 22.11 2.53 4 -15 0 9.38 2.27 4 -15 0 8.93 0.88 -4 -15 0 7.95 2.19 -4 -15 0 6.34 1.67 4 15 0 8.73 2.06 -4 15 0 7.69 1.37 4 15 0 7.87 2.09 -4 15 0 9.87 1.60 5 -15 0 19.49 3.01 -5 -15 0 24.09 2.23 -5 -15 0 20.39 3.10 5 15 0 19.42 3.15 -5 15 0 18.62 2.32 -5 15 0 23.48 2.36 5 15 0 23.30 3.48 0 -16 0 32.40 2.90 0 -16 0 37.03 2.91 0 16 0 33.36 1.27 0 16 0 35.20 3.80 0 16 0 33.13 2.21 -1 -16 0 49.18 3.17 1 -16 0 51.70 3.00 -1 -16 0 53.29 3.55 1 -16 0 49.05 3.41 1 16 0 46.68 1.82 1 16 0 38.58 4.39 1 16 0 45.58 2.71 -1 16 0 44.49 2.71 -1 16 0 46.45 1.86 1 16 0 47.25 1.31 -1 16 0 47.80 2.43 -1 16 0 54.07 3.75 1 16 0 46.73 4.22 -2 -16 0 54.24 4.03 2 -16 0 54.10 3.67 2 -16 0 55.30 2.77 -2 -16 0 54.98 3.21 2 16 0 56.10 3.38 -2 16 0 57.15 2.33 -2 16 0 54.05 3.68 -2 16 0 58.52 2.71 2 16 0 48.68 3.59 -2 16 0 54.12 3.34 3 -16 0 6.69 1.91 3 -16 0 6.37 1.08 -3 -16 0 10.15 2.55 -3 -16 0 2.37 1.97 -3 16 0 6.79 1.50 3 16 0 4.76 2.02 -3 16 0 6.98 1.40 -3 16 0 5.90 1.77 -3 16 0 4.41 2.02 3 16 0 7.23 1.92 4 -16 0 16.14 1.49 -4 -16 0 12.19 2.68 4 -16 0 15.64 2.63 4 16 0 14.38 2.62 4 16 0 12.76 2.45 -4 16 0 15.05 1.88 -4 16 0 16.11 1.94 5 -16 0 1.97 2.25 -5 -16 0 5.85 2.73 5 16 0 3.72 2.53 -5 16 0 2.12 1.46 -5 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3.03 -8 -4 4 23.22 2.24 8 -4 -4 27.63 3.02 8 -4 -4 20.82 2.27 8 4 -4 21.95 2.43 -8 4 4 26.13 2.68 -8 4 4 26.83 3.76 7 -4 -4 43.81 2.32 -7 -4 4 39.49 2.50 7 -4 -4 42.11 2.91 -7 -4 4 44.87 2.87 -7 4 4 41.52 3.47 -7 4 4 44.71 2.40 7 4 -4 40.13 2.54 -6 -4 4 10.96 1.78 6 -4 -4 9.91 1.18 6 -4 -4 7.44 1.31 -6 -4 4 10.73 1.22 -6 -4 4 9.79 1.46 6 4 -4 11.62 1.95 -6 4 4 11.39 1.23 -6 4 4 9.57 1.68 -6 4 4 15.55 1.86 -6 4 4 9.39 1.96 6 4 -4 9.63 1.33 6 4 -4 12.35 1.89 -5 -4 4 155.01 4.46 5 -4 -4 156.39 4.02 -5 -4 4 154.40 4.73 -5 -4 4 154.59 3.84 5 -4 -4 148.61 4.45 5 4 -4 160.45 4.82 -5 4 4 151.80 4.90 -5 4 4 160.54 3.99 -5 4 4 158.89 4.49 5 4 -4 152.67 4.13 5 4 -4 151.76 5.14 -4 -4 4 134.08 3.84 4 -4 -4 134.37 3.80 -4 -4 4 138.03 4.00 -4 -4 4 138.19 3.24 4 -4 -4 129.61 3.44 -4 4 4 127.40 4.07 4 4 -4 118.32 4.50 4 4 -4 133.09 4.28 -4 4 4 141.20 3.80 4 4 -4 133.92 3.46 -4 4 4 135.65 3.41 -3 -4 4 304.22 6.75 3 -4 -4 306.95 6.47 -3 -4 4 305.79 6.12 3 -4 -4 301.41 6.69 -3 -4 4 304.80 6.79 -3 4 4 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1.08 0 3 -14 7.20 1.31 0 3 -14 9.12 1.75 0 3 -14 10.11 1.81 0 3 -14 8.32 1.63 0 3 14 8.00 1.43 -1 -3 -14 58.94 2.30 1 -3 14 58.59 1.98 -1 -3 -14 56.77 3.10 1 -3 14 63.39 2.97 1 -3 14 53.01 2.87 -1 3 -14 60.57 1.85 -1 3 -14 53.87 3.20 -1 3 -14 60.00 3.12 -1 3 -14 56.84 2.26 1 3 14 64.83 3.13 -1 3 -14 63.83 3.61 1 3 14 60.99 2.45 2 -3 14 71.72 3.40 -2 -3 -14 70.85 2.43 -2 -3 -14 70.09 3.57 2 3 14 70.46 2.98 -2 3 -14 70.09 2.51 2 3 14 66.92 3.51 -2 3 -14 66.81 1.90 -2 3 -14 62.25 3.48 -3 -3 -14 20.52 2.43 -3 -3 -14 22.91 1.59 3 -3 14 24.19 2.71 -3 3 -14 25.62 1.12 3 3 14 25.30 2.91 -3 3 -14 20.90 2.69 -3 3 -14 23.44 1.79 -3 3 -14 21.91 1.77 4 -3 14 15.54 2.19 -4 -3 -14 13.01 1.48 -4 -3 -14 14.08 2.27 -4 3 -14 15.99 1.53 -4 3 -14 17.00 1.15 -4 3 -14 15.27 1.94 -4 3 -14 17.19 2.40 -5 -3 -14 16.24 1.77 -5 -3 -14 10.59 2.46 -5 3 -14 10.81 2.47 -5 3 -14 12.34 1.53 -7 -4 14 20.77 2.39 7 -4 -14 20.31 2.78 7 4 -14 17.40 2.71 -7 4 14 22.85 3.13 6 -4 -14 4.68 1.39 6 -4 -14 6.53 2.05 -6 -4 14 5.22 1.62 6 4 -14 2.81 2.01 -6 4 14 5.73 1.15 -6 4 14 3.89 1.75 -6 4 14 3.21 1.93 -5 -4 14 27.59 2.96 -5 -4 14 26.46 2.40 5 -4 -14 23.57 2.28 5 -4 -14 25.59 2.33 5 -4 -14 17.01 2.19 -5 4 14 21.81 2.64 -5 4 14 23.13 2.76 5 4 -14 25.70 2.91 -5 4 14 21.55 2.19 -5 4 14 22.72 1.92 -4 -4 14 10.77 1.50 4 -4 -14 9.18 1.43 -4 -4 14 16.71 2.03 4 -4 -14 9.99 1.80 4 -4 -14 11.73 1.73 -4 4 14 7.30 1.21 4 4 -14 10.62 1.16 -4 4 14 8.69 1.71 4 4 -14 13.32 1.87 4 4 -14 11.56 1.99 -4 4 14 10.90 1.53 4 4 -14 5.87 2.26 4 4 -14 10.16 1.06 -4 4 14 11.09 1.85 3 -4 -14 4.98 1.36 -3 -4 14 5.73 1.66 -3 -4 14 3.44 0.89 3 -4 -14 4.51 1.35 3 -4 -14 3.47 1.18 3 4 -14 1.97 1.89 -3 4 14 1.14 1.39 3 4 -14 2.44 0.93 -3 4 14 3.59 0.88 -3 4 14 2.76 1.00 3 4 -14 4.12 1.38 -3 4 14 3.60 1.08 3 4 -14 2.69 1.16 -3 4 14 2.26 1.14 3 4 -14 2.19 1.10 2 -4 -14 5.57 1.24 2 -4 -14 3.47 1.18 -2 -4 14 3.35 1.01 -2 -4 14 2.88 0.79 2 -4 -14 3.02 1.20 -2 -4 14 4.35 1.98 -2 4 14 3.36 1.49 2 4 -14 5.07 1.27 2 4 -14 2.28 0.90 -2 4 14 3.25 0.54 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-14 14.55 1.47 -3 4 -14 15.63 1.67 3 4 14 15.92 2.03 -3 4 -14 10.77 2.06 -3 4 -14 18.96 1.16 -4 -4 -14 38.79 3.53 4 -4 14 41.43 3.41 -4 -4 -14 35.85 1.98 -4 4 -14 36.47 2.21 -4 4 -14 34.16 3.64 -4 4 -14 36.90 1.61 -5 -4 -14 0.97 2.21 -5 -4 -14 4.13 1.05 5 -4 14 3.88 2.18 -5 4 -14 2.76 1.30 -5 4 -14 2.16 2.16 -6 -5 14 18.77 2.24 6 -5 -14 17.54 2.54 6 -5 -14 21.93 2.59 -6 5 14 22.59 2.40 -6 5 14 21.83 1.98 6 5 -14 18.58 2.54 -6 5 14 18.55 2.50 -5 -5 14 106.00 4.05 -5 -5 14 109.22 4.20 5 -5 -14 110.00 4.71 5 -5 -14 108.64 3.93 5 -5 -14 111.07 4.13 -5 5 14 104.16 5.14 5 5 -14 111.76 4.56 -5 5 14 106.07 4.24 5 5 -14 107.30 5.14 -5 5 14 109.50 4.50 -5 5 14 105.75 3.38 -4 -5 14 33.81 2.58 4 -5 -14 35.02 2.70 -4 -5 14 36.05 2.35 4 -5 -14 36.10 2.93 4 -5 -14 28.76 2.42 4 5 -14 33.81 2.68 -4 5 14 28.04 2.08 -4 5 14 32.37 3.06 -4 5 14 27.14 3.01 4 5 -14 29.57 1.67 4 5 -14 33.76 3.06 -4 5 14 30.69 2.33 4 5 -14 30.72 1.81 3 -5 -14 3.43 1.34 3 -5 -14 5.22 1.35 -3 -5 14 4.81 0.99 -3 -5 14 4.04 1.20 3 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1.12 0 -6 14 5.20 1.30 0 -6 -14 7.06 1.55 0 6 -14 7.53 1.07 0 6 -14 8.74 1.59 0 6 -14 7.49 1.18 0 6 14 3.91 2.25 0 6 14 6.07 0.94 0 6 -14 7.14 1.76 1 -6 14 27.25 2.40 -1 -6 -14 24.19 1.79 1 -6 14 24.38 2.24 -1 -6 -14 25.88 2.74 -1 6 -14 24.53 1.72 -1 6 -14 28.01 2.74 -1 6 -14 25.77 3.12 1 6 14 24.57 1.81 -1 6 -14 27.35 1.74 2 -6 14 3.01 1.56 -2 -6 -14 6.20 1.82 -2 -6 -14 5.46 1.05 2 -6 14 5.74 1.54 -2 6 -14 6.05 0.92 2 6 14 4.34 1.33 -2 6 -14 4.04 1.80 -2 6 -14 6.61 1.11 -3 -6 -14 22.77 1.70 -3 -6 -14 21.50 2.54 3 -6 14 18.98 2.20 -3 6 -14 27.35 1.54 -3 6 -14 21.56 1.88 -3 6 -14 23.27 2.83 3 6 14 22.39 2.11 -4 -6 -14 40.57 3.84 4 -6 14 44.22 3.71 -4 -6 -14 39.93 2.06 -4 6 -14 40.42 2.44 -4 6 -14 42.78 1.98 -4 6 -14 32.50 3.93 6 -7 -14 7.48 3.33 6 -7 -14 18.48 2.89 -6 -7 14 14.31 2.31 -6 7 14 16.03 2.42 6 7 -14 12.56 2.37 6 7 -14 17.89 3.21 -6 7 14 11.72 2.66 5 -7 -14 -0.36 1.89 5 -7 -14 0.93 2.82 -5 -7 14 -1.03 1.50 -5 7 14 -0.13 2.24 5 7 -14 0.30 2.00 -5 7 14 2.21 1.41 5 7 -14 4.29 1.71 -5 7 14 -1.47 2.47 -4 -7 14 18.11 2.25 4 -7 -14 18.28 1.88 4 -7 -14 15.58 2.11 -4 -7 14 20.14 2.20 -4 7 14 15.95 2.37 4 7 -14 18.49 1.47 -4 7 14 18.50 2.42 4 7 -14 13.55 1.76 4 7 -14 17.03 1.71 -4 7 14 20.12 2.02 -3 -7 14 22.15 1.97 -3 -7 14 26.15 2.59 3 -7 -14 21.87 2.51 3 -7 -14 27.32 2.43 3 7 -14 22.56 2.67 3 7 -14 23.20 2.26 -3 7 14 31.93 3.52 -3 7 14 24.41 2.04 -3 7 14 26.80 1.51 3 7 -14 26.68 2.23 3 7 -14 21.22 1.85 -3 7 14 22.85 2.71 2 -7 -14 65.54 3.09 -2 -7 14 64.83 3.21 2 -7 -14 60.52 2.92 -2 -7 14 63.76 2.57 2 -7 -14 64.57 3.25 2 7 -14 64.14 3.29 2 7 -14 67.24 3.08 2 7 -14 62.37 2.89 2 7 -14 64.52 2.82 -2 7 14 62.62 2.60 -2 7 14 65.98 1.81 -2 7 14 60.93 3.91 -2 7 14 63.37 2.51 -1 -7 14 4.51 0.97 1 -7 -14 7.85 1.52 1 -7 -14 7.42 1.50 -1 -7 14 5.76 1.38 1 -7 -14 7.15 1.28 1 7 -14 9.15 1.45 1 7 -14 6.43 1.10 1 7 -14 7.67 1.68 -1 7 14 5.17 1.01 -1 7 14 6.39 2.75 1 7 -14 4.75 1.38 0 -7 -14 37.59 2.76 0 -7 -14 39.14 2.89 0 -7 14 39.47 2.20 0 -7 -14 40.36 2.25 0 -7 14 37.82 2.58 0 7 -14 43.81 3.35 0 7 -14 38.93 2.05 0 7 -14 43.44 2.91 0 7 14 38.06 1.85 0 7 -14 39.58 2.29 1 -7 14 -0.26 1.16 1 -7 14 0.91 1.25 -1 -7 -14 1.88 1.50 -1 -7 -14 1.29 0.94 1 7 14 -0.22 0.91 -1 7 -14 1.19 0.83 -1 7 -14 1.22 0.90 2 -7 14 33.57 2.74 -2 -7 -14 28.92 3.07 2 -7 14 34.59 3.05 -2 -7 -14 29.83 1.93 -2 7 -14 32.58 2.06 2 7 14 31.63 2.31 -2 7 -14 33.14 1.82 -3 -7 -14 1.49 0.93 3 -7 14 1.01 2.15 -3 -7 -14 -3.16 1.64 3 -7 14 2.29 1.68 -3 7 -14 2.03 0.86 -3 7 -14 1.00 0.93 -4 -7 -14 2.18 0.98 4 -7 14 -3.42 1.84 -4 -7 -14 0.64 1.92 -4 7 -14 2.28 1.02 -4 7 -14 0.74 1.19 6 -8 -14 11.03 2.20 -6 -8 14 13.85 2.47 6 -8 -14 15.77 2.64 -6 8 14 8.58 2.13 6 8 -14 11.16 2.40 6 8 -14 13.45 3.20 -5 -8 14 2.94 1.75 5 -8 -14 2.48 1.81 5 -8 -14 8.32 1.94 -5 8 14 3.42 2.73 -5 8 14 6.43 1.81 5 8 -14 8.02 2.58 5 8 -14 5.54 1.82 4 -8 -14 14.66 2.10 4 -8 -14 16.68 2.33 4 -8 -14 13.97 1.78 -4 -8 14 16.28 2.10 4 8 -14 15.37 2.01 -4 8 14 16.96 2.54 4 8 -14 12.92 1.23 4 8 -14 13.94 2.29 4 8 -14 15.46 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3.65 1.78 2 -8 14 2.79 1.83 2 -8 14 5.15 1.57 -2 -8 -14 3.68 1.06 -2 8 -14 3.91 0.99 2 8 14 4.30 1.28 -2 8 -14 4.87 1.14 -3 -8 -14 11.05 1.29 -3 -8 -14 7.69 2.20 3 -8 14 11.31 1.99 3 -8 14 9.17 2.70 -3 8 -14 7.52 1.34 -3 8 -14 9.79 1.19 4 -8 14 5.47 2.19 -4 -8 -14 6.57 2.99 -4 -8 -14 5.81 1.16 -4 -8 -14 2.70 2.13 -4 8 -14 3.84 1.34 -4 8 -14 7.69 1.26 5 -9 -14 6.91 2.05 -5 -9 14 5.78 2.07 5 -9 -14 4.28 1.98 -5 9 14 2.39 1.46 -5 9 14 4.07 3.05 5 9 -14 5.28 1.91 5 9 -14 4.24 2.46 4 -9 -14 13.75 2.23 -4 -9 14 12.00 2.18 4 -9 -14 10.58 2.08 4 -9 -14 14.58 1.82 -4 9 14 11.47 1.38 4 9 -14 12.59 1.96 4 9 -14 13.24 2.47 4 9 -14 13.62 1.52 -4 9 14 17.60 2.87 -3 -9 14 18.51 2.20 3 -9 -14 13.86 1.95 3 -9 -14 12.55 1.71 -3 -9 14 10.74 1.59 3 -9 -14 11.76 1.97 3 9 -14 13.32 1.69 3 9 -14 12.24 2.17 -3 9 14 15.29 2.29 3 9 -14 14.05 1.51 3 9 -14 16.12 1.79 -3 9 14 13.10 1.39 -2 -9 14 69.26 3.50 2 -9 -14 67.36 3.78 2 -9 -14 63.93 3.23 2 -9 -14 64.38 3.19 -2 -9 14 62.78 2.86 2 9 -14 63.48 3.12 2 9 -14 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1.48 2 4 -18 -1.06 1.53 -2 4 18 4.90 1.85 2 4 -18 1.93 2.31 1 -4 -18 2.09 1.55 -1 -4 18 0.61 1.64 1 -4 -18 -0.11 1.96 1 4 -18 2.01 1.75 1 4 -18 3.33 1.53 -1 4 18 4.04 2.00 0 -4 18 0.16 1.84 0 -4 -18 0.44 1.97 0 -4 -18 1.62 1.50 0 4 -18 -0.06 1.29 0 4 -18 1.15 2.01 0 4 18 3.28 2.07 -1 -4 -18 57.27 4.40 1 -4 18 52.12 4.06 -1 -4 -18 60.95 3.25 -1 4 -18 58.97 3.07 -1 4 -18 59.45 4.40 3 -5 -18 10.90 2.26 -3 -5 18 12.04 2.15 3 -5 -18 15.16 2.47 3 5 -18 10.25 2.01 3 5 -18 13.80 1.88 -3 5 18 11.28 2.08 2 -5 -18 33.08 3.56 -2 -5 18 26.63 3.10 2 -5 -18 29.08 2.86 -2 5 18 30.10 3.38 2 5 -18 28.34 3.08 2 5 -18 29.71 3.05 2 5 -18 30.77 3.32 2 5 -18 26.98 3.02 1 -5 -18 -0.27 1.60 1 -5 -18 -0.14 1.87 -1 -5 18 -0.67 1.76 1 5 -18 -0.12 1.25 1 5 -18 1.43 1.80 -1 5 18 4.28 1.96 1 5 -18 -0.10 1.36 0 -5 -18 11.70 2.34 0 -5 18 13.11 2.21 0 -5 -18 9.15 1.87 0 5 -18 10.60 1.73 0 5 -18 10.09 2.37 -1 -5 -18 4.01 1.54 1 -5 18 4.28 2.13 -1 -5 -18 3.41 2.26 -1 5 -18 3.29 2.25 -1 5 -18 3.09 1.42 3 -6 -18 43.65 3.77 -3 -6 18 28.73 3.41 3 -6 -18 39.84 3.99 3 6 -18 39.33 3.20 -3 6 18 42.24 3.62 3 6 -18 40.65 4.08 3 6 -18 42.84 3.59 2 -6 -18 2.14 2.11 -2 -6 18 2.69 1.76 2 -6 -18 2.74 1.90 2 6 -18 3.62 1.72 2 6 -18 2.53 1.67 -2 6 18 4.15 2.02 2 6 -18 4.29 1.85 1 -6 -18 6.83 1.84 -1 -6 18 4.62 1.83 1 -6 -18 3.25 1.99 1 6 -18 7.81 1.70 1 6 -18 6.69 1.97 1 6 -18 8.55 1.73 0 -6 18 3.13 2.09 0 -6 -18 0.89 1.61 0 -6 -18 5.04 2.22 0 6 -18 1.83 1.43 0 6 -18 2.47 2.07 -2 -7 18 6.91 2.18 2 -7 -18 9.23 2.27 2 -7 -18 6.97 2.23 2 7 -18 10.47 2.03 2 7 -18 9.70 2.25 2 7 -18 12.44 1.92 1 -7 -18 9.50 2.04 1 -7 -18 9.51 2.35 -1 -7 18 6.78 2.22 1 7 -18 6.21 2.25 1 7 -18 9.32 1.73 1 7 -18 11.82 1.91 0 7 -18 7.85 1.75 3 0 -19 -0.12 1.76 3 0 -19 -0.53 1.92 -3 0 19 2.97 1.82 2 0 -19 6.04 1.77 -2 0 19 3.88 2.01 2 0 -19 5.61 2.06 -1 0 19 14.81 2.39 1 0 -19 16.13 2.40 1 0 -19 16.78 2.12 0 0 19 35.18 3.80 0 0 -19 30.47 3.20 0 0 -19 26.84 2.88 3 -1 -19 1.35 1.87 3 -1 -19 -0.84 1.77 -3 -1 19 4.67 1.83 -3 1 19 -2.42 1.80 3 1 -19 1.98 1.97 3 1 -19 0.47 1.65 2 -1 -19 8.43 2.21 2 -1 -19 9.58 1.98 -2 -1 19 12.36 2.20 2 1 -19 8.53 2.12 -2 1 19 12.23 2.25 2 1 -19 5.54 1.85 -1 -1 19 11.35 2.35 1 -1 -19 11.91 2.39 1 -1 -19 12.33 2.06 1 1 -19 13.21 2.11 -1 1 19 10.32 2.26 1 1 -19 12.61 2.28 0 -1 -19 4.44 2.09 0 -1 -19 5.00 1.75 0 -1 19 0.71 1.93 0 1 -19 6.04 2.14 0 1 -19 6.03 1.72 0 1 19 3.99 2.26 -3 -2 19 12.63 2.34 3 -2 -19 10.08 2.21 3 -2 -19 9.25 2.15 -3 2 19 10.87 2.18 3 2 -19 8.99 2.14 3 2 -19 8.39 1.99 2 -2 -19 13.17 2.26 -2 -2 19 21.30 2.59 2 -2 -19 17.22 2.33 2 2 -19 15.75 2.23 -2 2 19 19.24 2.40 2 2 -19 17.48 2.31 1 -2 -19 6.16 1.73 -1 -2 19 0.19 1.92 1 -2 -19 5.96 2.21 -1 2 19 4.05 2.09 1 2 -19 0.44 1.87 1 2 -19 3.18 1.62 0 -2 -19 15.43 2.69 0 -2 -19 14.33 2.00 0 -2 19 14.81 2.50 0 2 -19 18.81 2.74 0 2 19 20.53 2.76 0 2 -19 16.22 2.02 -2 -3 19 -1.99 1.84 2 -3 -19 1.27 1.78 2 -3 -19 -0.18 1.95 -2 3 19 -2.50 1.77 2 3 -19 -0.29 1.52 2 3 -19 0.26 1.78 1 -3 -19 6.61 1.92 1 -3 -19 9.04 2.29 -1 -3 19 8.58 2.22 1 3 -19 4.79 1.76 1 3 -19 4.84 2.21 -1 3 19 5.21 2.17 0 -3 19 5.83 2.40 0 -3 -19 6.74 2.34 0 -3 -19 4.39 1.78 0 3 19 3.90 2.33 0 3 -19 6.67 2.34 0 3 -19 5.67 1.62 -2 -4 19 8.27 2.03 2 -4 -19 12.50 2.37 2 -4 -19 11.23 2.15 -2 4 19 10.69 2.34 2 4 -19 13.15 2.35 2 4 -19 12.17 2.22 -1 -4 19 0.09 1.96 1 -4 -19 0.62 1.73 1 -4 -19 -1.51 1.95 1 4 -19 2.21 1.73 -1 4 19 0.01 2.09 1 4 -19 0.11 1.96 0 0 0 0.00 0.00 ; _shelx_hkl_checksum 35383 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 C1 C 0.4111(3) 0.57024(15) 0.04759(15) 0.0162(5) Uani 1 1 d . . O1 O 0.2914(2) 0.52521(12) 0.00537(11) 0.0241(4) Uani 1 1 d . . C2 C 0.4496(3) 0.58459(15) 0.15027(15) 0.0142(4) Uani 1 1 d . . O2 O 0.5359(2) 0.62083(12) 0.00652(10) 0.0207(4) Uani 1 1 d . . C3 C 0.6162(3) 0.64883(15) 0.15883(15) 0.0149(4) Uani 1 1 d . . O3 O 0.4612(2) 0.47225(12) 0.26664(11) 0.0227(4) Uani 1 1 d . . C4 C 0.7199(3) 0.69040(16) 0.23255(17) 0.0208(5) Uani 1 1 d . . H4 H 0.698555 0.676457 0.292016 0.025 Uiso 1 1 calc R U O4 O 0.6240(2) 0.45119(10) 0.14977(10) 0.0145(3) Uani 1 1 d . . C5 C 0.8561(3) 0.75308(17) 0.21732(19) 0.0257(6) Uani 1 1 d . . H5 H 0.928609 0.782710 0.266977 0.031 Uiso 1 1 calc R U C6 C 0.8873(4) 0.77288(18) 0.1307(2) 0.0284(6) Uani 1 1 d . . H6 H 0.979348 0.816999 0.121860 0.034 Uiso 1 1 calc R U C7 C 0.7872(3) 0.72970(19) 0.05609(19) 0.0269(6) Uani 1 1 d . . H7 H 0.809798 0.742376 -0.003463 0.032 Uiso 1 1 calc R U C8 C 0.6539(3) 0.66775(16) 0.07329(16) 0.0182(5) Uani 1 1 d . . C9 C 0.2746(3) 0.62360(16) 0.18360(17) 0.0205(5) Uani 1 1 d . . H9A H 0.300609 0.631889 0.249053 0.031 Uiso 1 1 calc R U H9B H 0.167761 0.582085 0.168694 0.031 Uiso 1 1 calc R U H9C H 0.243126 0.681879 0.154469 0.031 Uiso 1 1 calc R U C10 C 0.5090(3) 0.49596(15) 0.19705(14) 0.0147(4) Uani 1 1 d . . C11 C 0.6986(3) 0.36230(15) 0.17828(15) 0.0173(5) Uani 1 1 d . . C12 C 0.7991(3) 0.33622(16) 0.09674(15) 0.0165(4) Uani 1 1 d . . C13 C 0.8411(4) 0.3712(2) 0.26419(17) 0.0334(7) Uani 1 1 d . . H13A H 0.905622 0.313456 0.277731 0.050 Uiso 1 1 calc R U H13B H 0.774659 0.388362 0.314308 0.050 Uiso 1 1 calc R U H13C H 0.934667 0.417623 0.255723 0.050 Uiso 1 1 calc R U C14 C 0.5370(4) 0.29789(18) 0.1870(2) 0.0297(6) Uani 1 1 d . . H14A H 0.582181 0.235652 0.184860 0.045 Uiso 1 1 calc R U H14B H 0.433746 0.307995 0.137227 0.045 Uiso 1 1 calc R U H14C H 0.490893 0.308412 0.244441 0.045 Uiso 1 1 calc R U Cl1 Cl 0.98342(8) 0.41262(4) 0.08060(4) 0.02410(13) Uani 1 1 d . . Cl2 Cl 0.63586(9) 0.33562(4) -0.00453(4) 0.02324(13) Uani 1 1 d . . Cl3 Cl 0.89792(10) 0.22682(4) 0.11375(4) 0.02990(15) Uani 1 1 d . . C1' C 0.5581(3) 0.48230(17) 0.46417(14) 0.0176(5) Uani 1 1 d . . O1' O 0.6860(2) 0.43166(12) 0.46044(11) 0.0237(4) Uani 1 1 d . . C2' C 0.3581(3) 0.46057(16) 0.48523(14) 0.0158(5) Uani 1 1 d . . O2' O 0.5747(2) 0.57307(12) 0.45020(11) 0.0208(4) Uani 1 1 d . . C3' C 0.2644(3) 0.55179(16) 0.47279(15) 0.0170(5) Uani 1 1 d . . O3' O 0.2755(2) 0.38169(11) 0.61552(11) 0.0196(4) Uani 1 1 d . . C4' C 0.0814(4) 0.58028(18) 0.47687(17) 0.0238(5) Uani 1 1 d . . H4' H -0.014050 0.538683 0.487501 0.029 Uiso 1 1 calc R U O4' O 0.5211(2) 0.48028(11) 0.63097(9) 0.0146(3) Uani 1 1 d . . C5' C 0.0411(4) 0.6714(2) 0.46500(18) 0.0305(6) Uani 1 1 d . . H5' H -0.083754 0.692376 0.467597 0.037 Uiso 1 1 calc R U C6' C 0.1800(4) 0.73229(19) 0.44942(17) 0.0312(6) Uani 1 1 d . . H6' H 0.149269 0.794452 0.442616 0.037 Uiso 1 1 calc R U C7' C 0.3629(4) 0.70402(17) 0.44359(17) 0.0268(6) Uani 1 1 d . . H7' H 0.458418 0.745228 0.432174 0.032 Uiso 1 1 calc R U C8' C 0.3993(3) 0.61354(17) 0.45511(15) 0.0193(5) Uani 1 1 d . . C9' C 0.2613(4) 0.38504(17) 0.42583(16) 0.0224(5) Uani 1 1 d . . H9'A H 0.137066 0.372226 0.443429 0.034 Uiso 1 1 calc R U H9'B H 0.339887 0.330635 0.433462 0.034 Uiso 1 1 calc R U H9'C H 0.244893 0.403943 0.362577 0.034 Uiso 1 1 calc R U C10' C 0.3771(3) 0.43412(15) 0.58518(14) 0.0138(4) Uani 1 1 d . . C11' C 0.5785(3) 0.47046(15) 0.72826(13) 0.0133(4) Uani 1 1 d . . C12' C 0.7643(3) 0.52677(15) 0.74123(14) 0.0145(4) Uani 1 1 d . . C13' C 0.6207(3) 0.37246(16) 0.75336(15) 0.0187(5) Uani 1 1 d . . H13D H 0.687673 0.369143 0.815183 0.028 Uiso 1 1 calc R U H13E H 0.700099 0.346314 0.711992 0.028 Uiso 1 1 calc R U H13F H 0.501580 0.338765 0.749076 0.028 Uiso 1 1 calc R U C14' C 0.4290(3) 0.50996(19) 0.77874(17) 0.0256(6) Uani 1 1 d . . H14D H 0.477755 0.512081 0.843274 0.038 Uiso 1 1 calc R U H14E H 0.315042 0.472273 0.768846 0.038 Uiso 1 1 calc R U H14F H 0.397518 0.571103 0.756748 0.038 Uiso 1 1 calc R U Cl1' Cl 0.93216(8) 0.48030(4) 0.67804(4) 0.02323(13) Uani 1 1 d . . Cl2' Cl 0.72100(9) 0.63975(4) 0.70442(4) 0.02831(15) Uani 1 1 d . . Cl3' Cl 0.86702(9) 0.52805(4) 0.85627(4) 0.02477(13) Uani 1 1 d . . 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 0.0182(12) 0.0144(11) 0.0157(11) 0.0027(8) 0.0016(9) 0.0045(9) O1 0.0256(9) 0.0234(9) 0.0213(8) -0.0011(7) -0.0032(7) -0.0024(8) C2 0.0143(11) 0.0133(10) 0.0151(11) -0.0005(8) 0.0029(9) 0.0010(9) O2 0.0201(9) 0.0265(9) 0.0156(8) 0.0048(7) 0.0025(7) -0.0001(7) C3 0.0129(11) 0.0110(10) 0.0212(11) 0.0003(9) 0.0036(9) 0.0044(9) O3 0.0304(10) 0.0232(9) 0.0160(8) 0.0038(7) 0.0090(7) 0.0050(8) C4 0.0188(12) 0.0193(12) 0.0240(12) -0.0053(9) 0.0024(10) 0.0032(10) O4 0.0181(8) 0.0108(7) 0.0154(8) 0.0024(6) 0.0048(6) 0.0036(6) C5 0.0149(12) 0.0203(13) 0.0404(16) -0.0097(11) -0.0007(11) 0.0019(10) C6 0.0129(12) 0.0221(13) 0.0502(17) 0.0088(12) 0.0049(11) -0.0010(10) C7 0.0158(12) 0.0301(14) 0.0355(14) 0.0139(12) 0.0054(10) 0.0022(11) C8 0.0134(11) 0.0180(11) 0.0227(12) 0.0045(9) 0.0006(9) 0.0034(9) C9 0.0172(12) 0.0173(12) 0.0280(13) -0.0017(9) 0.0066(10) 0.0031(9) C10 0.0144(11) 0.0149(10) 0.0142(11) -0.0034(8) 0.0002(8) -0.0008(9) C11 0.0216(12) 0.0141(11) 0.0165(11) 0.0034(9) 0.0042(9) 0.0072(9) C12 0.0182(11) 0.0141(10) 0.0169(11) 0.0005(9) 0.0017(9) 0.0025(9) C13 0.0363(16) 0.0450(17) 0.0166(13) 0.0004(12) -0.0032(11) 0.0172(14) C14 0.0403(16) 0.0167(12) 0.0373(15) 0.0058(11) 0.0225(13) -0.0017(12) Cl1 0.0181(3) 0.0232(3) 0.0323(3) -0.0049(2) 0.0080(2) -0.0035(2) Cl2 0.0279(3) 0.0247(3) 0.0161(3) -0.0048(2) 0.0001(2) -0.0031(3) Cl3 0.0399(4) 0.0180(3) 0.0343(3) 0.0045(3) 0.0139(3) 0.0135(3) C1' 0.0191(12) 0.0252(12) 0.0076(10) -0.0005(9) -0.0008(8) -0.0050(11) O1' 0.0200(9) 0.0342(10) 0.0172(8) -0.0011(7) 0.0040(7) 0.0024(8) C2' 0.0151(11) 0.0194(11) 0.0119(10) 0.0014(8) -0.0012(8) -0.0040(9) O2' 0.0179(9) 0.0262(9) 0.0189(8) 0.0015(7) 0.0046(7) -0.0069(7) C3' 0.0187(11) 0.0204(12) 0.0108(10) 0.0042(9) -0.0010(8) -0.0025(9) O3' 0.0181(8) 0.0247(9) 0.0157(8) 0.0040(7) 0.0019(6) -0.0066(7) C4' 0.0180(12) 0.0302(14) 0.0222(13) 0.0085(10) -0.0003(10) -0.0009(11) O4' 0.0149(8) 0.0185(8) 0.0096(7) 0.0015(6) -0.0011(6) -0.0038(6) C5' 0.0291(15) 0.0345(15) 0.0271(14) 0.0069(12) 0.0016(11) 0.0104(12) C6' 0.0447(17) 0.0215(13) 0.0251(13) 0.0034(11) -0.0025(12) 0.0050(13) C7' 0.0354(15) 0.0217(13) 0.0219(13) 0.0048(10) -0.0008(11) -0.0094(11) C8' 0.0198(12) 0.0227(12) 0.0145(11) 0.0014(9) -0.0002(9) -0.0036(10) C9' 0.0248(13) 0.0255(13) 0.0151(12) 0.0002(9) -0.0028(10) -0.0106(10) C10' 0.0117(11) 0.0154(11) 0.0142(10) -0.0004(8) 0.0015(8) 0.0014(9) C11' 0.0129(10) 0.0179(11) 0.0087(9) -0.0008(8) 0.0007(8) -0.0020(9) C12' 0.0154(11) 0.0133(10) 0.0143(10) 0.0010(9) 0.0002(8) 0.0007(9) C13' 0.0219(12) 0.0187(11) 0.0141(11) 0.0046(9) -0.0021(9) -0.0034(10) C14' 0.0187(13) 0.0375(15) 0.0216(12) -0.0091(11) 0.0062(10) 0.0007(11) Cl1' 0.0135(3) 0.0323(3) 0.0249(3) -0.0026(2) 0.0061(2) -0.0009(2) Cl2' 0.0339(3) 0.0130(3) 0.0348(3) 0.0022(2) -0.0058(3) -0.0026(3) Cl3' 0.0284(3) 0.0283(3) 0.0147(3) -0.0020(2) -0.0061(2) -0.0082(3) 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' Cl Cl 0.1484 0.1585 '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 O1 C1 O2 121.9(2) O1 C1 C2 128.2(2) O2 C1 C2 109.93(19) C3 C2 C10 110.09(18) C3 C2 C9 113.79(18) C10 C2 C9 111.23(19) C3 C2 C1 101.17(18) C10 C2 C1 109.80(18) C9 C2 C1 110.30(19) C1 O2 C8 108.17(17) C8 C3 C4 120.0(2) C8 C3 C2 107.93(19) C4 C3 C2 132.0(2) C3 C4 C5 118.2(2) C3 C4 H4 120.9 C5 C4 H4 120.9 C10 O4 C11 121.19(17) C6 C5 C4 120.7(2) C6 C5 H5 119.6 C4 C5 H5 119.6 C5 C6 C7 121.6(2) C5 C6 H6 119.2 C7 C6 H6 119.2 C8 C7 C6 116.4(2) C8 C7 H7 121.8 C6 C7 H7 121.8 C7 C8 C3 123.1(2) C7 C8 O2 124.0(2) C3 C8 O2 112.8(2) C2 C9 H9A 109.5 C2 C9 H9B 109.5 H9A C9 H9B 109.5 C2 C9 H9C 109.5 H9A C9 H9C 109.5 H9B C9 H9C 109.5 O3 C10 O4 126.3(2) O3 C10 C2 124.1(2) O4 C10 C2 109.59(18) O4 C11 C14 110.18(19) O4 C11 C13 109.7(2) C14 C11 C13 113.7(2) O4 C11 C12 100.63(17) C14 C11 C12 110.8(2) C13 C11 C12 111.0(2) C11 C12 Cl2 110.76(16) C11 C12 Cl3 109.52(15) Cl2 C12 Cl3 108.40(12) C11 C12 Cl1 112.61(16) Cl2 C12 Cl1 106.96(12) Cl3 C12 Cl1 108.47(12) C11 C13 H13A 109.5 C11 C13 H13B 109.5 H13A C13 H13B 109.5 C11 C13 H13C 109.5 H13A C13 H13C 109.5 H13B C13 H13C 109.5 C11 C14 H14A 109.5 C11 C14 H14B 109.5 H14A C14 H14B 109.5 C11 C14 H14C 109.5 H14A C14 H14C 109.5 H14B C14 H14C 109.5 O1' C1' O2' 122.0(2) O1' C1' C2' 128.1(2) O2' C1' C2' 109.9(2) C3' C2' C9' 115.50(19) C3' C2' C10' 108.86(18) C9' C2' C10' 110.39(18) C3' C2' C1' 101.18(19) C9' C2' C1' 112.69(19) C10' C2' C1' 107.64(18) C1' O2' C8' 108.40(18) C4' C3' C8' 119.6(2) C4' C3' C2' 132.3(2) C8' C3' C2' 108.0(2) C3' C4' C5' 118.1(2) C3' C4' H4' 120.9 C5' C4' H4' 120.9 C10' O4' C11' 122.81(17) C6' C5' C4' 121.1(3) C6' C5' H5' 119.4 C4' C5' H5' 119.4 C7' C6' C5' 121.1(3) C7' C6' H6' 119.4 C5' C6' H6' 119.4 C8' C7' C6' 116.8(3) C8' C7' H7' 121.6 C6' C7' H7' 121.6 C7' C8' C3' 123.2(2) C7' C8' O2' 124.5(2) C3' C8' O2' 112.3(2) C2' C9' H9'A 109.5 C2' C9' H9'B 109.5 H9'A C9' H9'B 109.5 C2' C9' H9'C 109.5 H9'A C9' H9'C 109.5 H9'B C9' H9'C 109.5 O3' C10' O4' 126.8(2) O3' C10' C2' 124.4(2) O4' C10' C2' 108.72(18) O4' C11' C14' 110.27(18) O4' C11' C13' 110.97(17) C14' C11' C13' 112.0(2) O4' C11' C12' 100.31(16) C14' C11' C12' 112.33(18) C13' C11' C12' 110.41(18) C11' C12' Cl3' 110.47(15) C11' C12' Cl1' 110.78(15) Cl3' C12' Cl1' 108.08(12) C11' C12' Cl2' 111.21(15) Cl3' C12' Cl2' 108.68(12) Cl1' C12' Cl2' 107.50(12) C11' C13' H13D 109.5 C11' C13' H13E 109.5 H13D C13' H13E 109.5 C11' C13' H13F 109.5 H13D C13' H13F 109.5 H13E C13' H13F 109.5 C11' C14' H14D 109.5 C11' C14' H14E 109.5 H14D C14' H14E 109.5 C11' C14' H14F 109.5 H14D C14' H14F 109.5 H14E C14' H14F 109.5 loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance C1 O1 1.190(3) C1 O2 1.378(3) C1 C2 1.539(3) C2 C3 1.514(3) C2 C10 1.521(3) C2 C9 1.526(3) O2 C8 1.396(3) C3 C8 1.379(3) C3 C4 1.382(3) O3 C10 1.198(3) C4 C5 1.388(4) C4 H4 0.9500 O4 C10 1.338(3) O4 C11 1.462(3) C5 C6 1.383(4) C5 H5 0.9500 C6 C7 1.392(4) C6 H6 0.9500 C7 C8 1.374(3) C7 H7 0.9500 C9 H9A 0.9800 C9 H9B 0.9800 C9 H9C 0.9800 C11 C14 1.517(4) C11 C13 1.525(3) C11 C12 1.556(3) C12 Cl2 1.773(2) C12 Cl3 1.773(2) C12 Cl1 1.779(2) C13 H13A 0.9800 C13 H13B 0.9800 C13 H13C 0.9800 C14 H14A 0.9800 C14 H14B 0.9800 C14 H14C 0.9800 C1' O1' 1.190(3) C1' O2' 1.371(3) C1' C2' 1.540(3) C2' C3' 1.509(3) C2' C9' 1.532(3) C2' C10' 1.537(3) O2' C8' 1.399(3) C3' C4' 1.382(3) C3' C8' 1.383(3) O3' C10' 1.198(3) C4' C5' 1.388(4) C4' H4' 0.9500 O4' C10' 1.337(3) O4' C11' 1.464(2) C5' C6' 1.386(4) C5' H5' 0.9500 C6' C7' 1.385(4) C6' H6' 0.9500 C7' C8' 1.374(4) C7' H7' 0.9500 C9' H9'A 0.9800 C9' H9'B 0.9800 C9' H9'C 0.9800 C11' C14' 1.514(3) C11' C13' 1.521(3) C11' C12' 1.555(3) C12' Cl3' 1.773(2) C12' Cl1' 1.773(2) C12' Cl2' 1.778(2) C13' H13D 0.9800 C13' H13E 0.9800 C13' H13F 0.9800 C14' H14D 0.9800 C14' H14E 0.9800 C14' H14F 0.9800 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 O1 C1 C2 C3 -179.3(2) O2 C1 C2 C3 -1.1(2) O1 C1 C2 C10 64.3(3) O2 C1 C2 C10 -117.4(2) O1 C1 C2 C9 -58.6(3) O2 C1 C2 C9 119.6(2) O1 C1 O2 C8 178.2(2) C2 C1 O2 C8 -0.1(2) C10 C2 C3 C8 118.1(2) C9 C2 C3 C8 -116.3(2) C1 C2 C3 C8 2.0(2) C10 C2 C3 C4 -65.1(3) C9 C2 C3 C4 60.5(3) C1 C2 C3 C4 178.8(2) C8 C3 C4 C5 2.2(3) C2 C3 C4 C5 -174.2(2) C3 C4 C5 C6 -0.3(4) C4 C5 C6 C7 -1.4(4) C5 C6 C7 C8 1.1(4) C6 C7 C8 C3 0.9(4) C6 C7 C8 O2 177.5(2) C4 C3 C8 C7 -2.6(4) C2 C3 C8 C7 174.6(2) C4 C3 C8 O2 -179.5(2) C2 C3 C8 O2 -2.3(3) C1 O2 C8 C7 -175.3(2) C1 O2 C8 C3 1.5(3) C11 O4 C10 O3 3.1(3) C11 O4 C10 C2 -178.35(18) C3 C2 C10 O3 107.9(2) C9 C2 C10 O3 -19.2(3) C1 C2 C10 O3 -141.6(2) C3 C2 C10 O4 -70.7(2) C9 C2 C10 O4 162.25(18) C1 C2 C10 O4 39.9(2) C10 O4 C11 C14 56.4(3) C10 O4 C11 C13 -69.5(3) C10 O4 C11 C12 173.39(18) O4 C11 C12 Cl2 -58.79(19) C14 C11 C12 Cl2 57.7(2) C13 C11 C12 Cl2 -174.89(18) O4 C11 C12 Cl3 -178.30(14) C14 C11 C12 Cl3 -61.8(2) C13 C11 C12 Cl3 65.6(2) O4 C11 C12 Cl1 60.93(19) C14 C11 C12 Cl1 177.46(17) C13 C11 C12 Cl1 -55.2(2) O1' C1' C2' C3' -176.2(2) O2' C1' C2' C3' 4.6(2) O1' C1' C2' C9' -52.2(3) O2' C1' C2' C9' 128.5(2) O1' C1' C2' C10' 69.7(3) O2' C1' C2' C10' -109.5(2) O1' C1' O2' C8' 177.4(2) C2' C1' O2' C8' -3.3(2) C9' C2' C3' C4' 54.4(3) C10' C2' C3' C4' -70.4(3) C1' C2' C3' C4' 176.4(2) C9' C2' C3' C8' -126.2(2) C10' C2' C3' C8' 109.0(2) C1' C2' C3' C8' -4.2(2) C8' C3' C4' C5' -1.5(4) C2' C3' C4' C5' 177.8(2) C3' C4' C5' C6' 0.0(4) C4' C5' C6' C7' 1.2(4) C5' C6' C7' C8' -0.8(4) C6' C7' C8' C3' -0.7(4) C6' C7' C8' O2' 179.1(2) C4' C3' C8' C7' 1.9(4) C2' C3' C8' C7' -177.5(2) C4' C3' C8' O2' -177.9(2) C2' C3' C8' O2' 2.7(3) C1' O2' C8' C7' -179.4(2) C1' O2' C8' C3' 0.4(3) C11' O4' C10' O3' 1.6(3) C11' O4' C10' C2' -179.58(18) C3' C2' C10' O3' 102.2(3) C9' C2' C10' O3' -25.6(3) C1' C2' C10' O3' -148.9(2) C3' C2' C10' O4' -76.7(2) C9' C2' C10' O4' 155.57(19) C1' C2' C10' O4' 32.2(2) C10' O4' C11' C14' -69.4(3) C10' O4' C11' C13' 55.3(3) C10' O4' C11' C12' 171.96(18) O4' C11' C12' Cl3' 179.32(13) C14' C11' C12' Cl3' 62.2(2) C13' C11' C12' Cl3' -63.6(2) O4' C11' C12' Cl1' -60.94(18) C14' C11' C12' Cl1' -178.03(16) C13' C11' C12' Cl1' 56.2(2) O4' C11' C12' Cl2' 58.55(18) C14' C11' C12' Cl2' -58.5(2) C13' C11' C12' Cl2' 175.67(15)