#------------------------------------------------------------------------------ #$Date: 2016-03-04 11:34:03 +0200 (Fri, 04 Mar 2016) $ #$Revision: 177403 $ #$URL: file:///home/coder/svn-repositories/cod/cif/4/12/48/4124899.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_4124899 loop_ _publ_author_name 'Qiu, Huang' 'Srinivas, Harathi D.' 'Zavalij, Peter Y.' 'Doyle, Michael P.' _publ_section_title ; Unprecedented Intramolecular [4 + 2]-Cycloaddition between a 1,3-Diene and a Diazo Ester. ; _journal_issue 6 _journal_name_full 'Journal of the American Chemical Society' _journal_page_first 1808 _journal_page_last 1811 _journal_paper_doi 10.1021/jacs.5b12877 _journal_volume 138 _journal_year 2016 _chemical_formula_moiety 'C31 H24 Br N3 O4, C H2 Cl2' _chemical_formula_sum 'C32 H26 Br Cl2 N3 O4' _chemical_formula_weight 667.37 _space_group_crystal_system monoclinic _space_group_IT_number 14 _space_group_name_Hall '-P 2ybc' _space_group_name_H-M_alt 'P 1 21/c 1' _symmetry_space_group_name_Hall '-P 2ybc' _symmetry_space_group_name_H-M 'P 1 21/c 1' _atom_sites_solution_hydrogens geom _atom_sites_solution_primary direct _audit_creation_date 2015-11-25 _audit_creation_method ; Olex2 1.2 (compiled 2015.01.26 svn.r3150 for OlexSys, GUI svn.r4998) ; _cell_angle_alpha 90 _cell_angle_beta 99.062(3) _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 11.0904(15) _cell_length_b 8.9712(12) _cell_length_c 29.184(4) _cell_measurement_reflns_used 10097 _cell_measurement_temperature 98 _cell_measurement_theta_max 40.3 _cell_measurement_theta_min 2.4 _cell_volume 2867.4(7) _computing_cell_refinement ; CrystalClear-SM Expert 2.0 r15 (Rigaku, 2011) ; _computing_data_collection ; CrystalClear-SM Expert 2.0 r15 (Rigaku, 2011) ; _computing_data_reduction ; CrystalClear-SM Expert 2.0 r15 (Rigaku, 2011) ; _computing_molecular_graphics 'Olex2 (Dolomanov et al., 2009)' _computing_publication_material 'Olex2 (Dolomanov et al., 2009)' _computing_structure_refinement 'ShelXL (Sheldrick, 2008)' _computing_structure_solution 'ShelXT (Sheldrick, 2015)' _diffrn_ambient_temperature 98 _diffrn_detector CCD _diffrn_detector_area_resol_mean 28.5714 _diffrn_measured_fraction_theta_full 0.997 _diffrn_measured_fraction_theta_max 0.997 _diffrn_measurement_details ; scan: Number of images: 246 Slice: -68.0000 - 55.0000 Image width: 0.5000 Exp time: 45.0000 Rotation axis: Omega Omega: 0.0000 Kappa: 70.0000 Phi: 90.0000 XTD: 34.5020 2theta: -34.7472 scan: Number of images: 144 Slice: -68.0000 - 4.0000 Image width: 0.5000 Exp time: 45.0000 Rotation axis: Omega Omega: 0.0000 Kappa: 70.0000 Phi: 270.0000 XTD: 34.5020 2theta: -34.7472 scan: Number of images: 114 Slice: -68.0000 - -11.0000 Image width: 0.5000 Exp time: 45.0000 Rotation axis: Omega Omega: 0.0000 Kappa: 70.0000 Phi: 0.0000 XTD: 34.5020 2theta: -34.7472 scan: Number of images: 94 Slice: -71.0000 - -24.0000 Image width: 0.5000 Exp time: 45.0000 Rotation axis: Omega Omega: 0.0000 Kappa: 0.0000 Phi: 90.0000 XTD: 34.5020 2theta: -34.7472 scan: Number of images: 60 Slice: -115.0000 - -85.0000 Image width: 0.5000 Exp time: 45.0000 Rotation axis: Omega Omega: 0.0000 Kappa: 0.0000 Phi: 180.0000 XTD: 34.5020 2theta: -34.7472 ; _diffrn_measurement_device ; AFC12 (Right): Kappa 3 circle ; _diffrn_measurement_device_type ; Rigaku Saturn724 (2x2 bin mode) ; _diffrn_measurement_method 'profile data from \w-scans' _diffrn_measurement_specimen_support Fiber _diffrn_orient_matrix_type d*Trek _diffrn_orient_matrix_UB_11 0.015772 _diffrn_orient_matrix_UB_12 0.063097 _diffrn_orient_matrix_UB_13 -0.064087 _diffrn_orient_matrix_UB_21 0.109739 _diffrn_orient_matrix_UB_22 -0.015971 _diffrn_orient_matrix_UB_23 0.011283 _diffrn_orient_matrix_UB_31 -0.000105 _diffrn_orient_matrix_UB_32 -0.020500 _diffrn_orient_matrix_UB_33 -0.027995 _diffrn_radiation_monochromator 'Graphite Monochromator' _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71075 _diffrn_reflns_av_R_equivalents 0.0415 _diffrn_reflns_av_unetI/netI 0.0348 _diffrn_reflns_laue_measured_fraction_full 0.997 _diffrn_reflns_laue_measured_fraction_max 0.997 _diffrn_reflns_limit_h_max 14 _diffrn_reflns_limit_h_min -14 _diffrn_reflns_limit_k_max 9 _diffrn_reflns_limit_k_min -11 _diffrn_reflns_limit_l_max 37 _diffrn_reflns_limit_l_min -37 _diffrn_reflns_number 21153 _diffrn_reflns_point_group_measured_fraction_full 0.997 _diffrn_reflns_point_group_measured_fraction_max 0.997 _diffrn_reflns_theta_full 25.242 _diffrn_reflns_theta_max 27.500 _diffrn_reflns_theta_min 2.378 _diffrn_source 'Sealed Tube' _diffrn_source_current 40.0 _diffrn_source_power 2.0 _diffrn_source_voltage 50.0 _exptl_absorpt_coefficient_mu 1.664 _exptl_absorpt_correction_T_max 1.000 _exptl_absorpt_correction_T_min 0.820 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details 'ABSCOR (Higashi, 1995)' _exptl_crystal_colour 'clear colourless' _exptl_crystal_colour_lustre clear _exptl_crystal_colour_primary colourless _exptl_crystal_density_diffrn 1.546 _exptl_crystal_description Prism _exptl_crystal_F_000 1360 _exptl_crystal_size_max 0.2 _exptl_crystal_size_mid 0.2 _exptl_crystal_size_min 0.2 _refine_diff_density_max 0.846 _refine_diff_density_min -0.528 _refine_diff_density_rms 0.070 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.095 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 379 _refine_ls_number_reflns 6584 _refine_ls_number_restraints 1 _refine_ls_restrained_S_all 1.207 _refine_ls_R_factor_all 0.0421 _refine_ls_R_factor_gt 0.0369 _refine_ls_shift/su_max 0.004 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0430P)^2^+1.7080P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0907 _refine_ls_wR_factor_ref 0.0946 _reflns_Friedel_coverage 0.000 _reflns_number_gt 5878 _reflns_number_total 6584 _reflns_threshold_expression 'I > 2\s(I)' _iucr_refine_instructions_details ; cd1388a.res created by SHELXL-2014/7 TITL cd1388a_a.res in P2(1)/c REM Old TITL cd1388a in P21/c #14 REM SHELXT solution in P2(1)/c REM R1 0.188, Rweak 0.076, Alpha 0.041, Orientation as input REM Formula found by SHELXT: Br O6 N3 C32 CELL 0.71075 11.0904 8.9712 29.184 90 99.062 90 ZERR 4 0.0015 0.0012 0.0041 0 0.003 0 LATT 1 SYMM -X,0.5+Y,0.5-Z SFAC Br O N C H Cl UNIT 4 16 12 128 104 8 DFIX 1.33 0.003 N1 N2 L.S. 6 PLAN 5 SIZE 0.2 0.2 0.2 TEMP 98.15 BOND $H ACTA LIST 4 MORE -1 CONF fmap 2 53 OMIT -3 55 REM REM REM WGHT 0.043000 1.708000 FVAR 0.43268 BR1 1 -0.178604 0.608231 0.554368 11.00000 0.01495 0.02587 = 0.03137 -0.00178 -0.00188 -0.00020 CL2 6 0.071545 0.132437 0.623528 11.00000 0.02796 0.02797 = 0.03453 -0.00075 0.00153 -0.00423 CL1 6 0.308927 0.097356 0.681907 11.00000 0.03352 0.03736 = 0.04052 -0.00502 -0.00619 0.00005 O1 2 0.495620 0.615050 0.561879 11.00000 0.02094 0.02226 = 0.01870 -0.00265 0.00294 0.00487 O3 2 0.212898 0.514717 0.702415 11.00000 0.02022 0.01942 = 0.02349 -0.00052 0.00272 -0.00395 O4 2 0.507774 0.864686 0.745814 11.00000 0.02107 0.02302 = 0.01910 -0.00562 0.00304 -0.00520 O2 2 0.467371 0.386308 0.589767 11.00000 0.02667 0.02008 = 0.02871 -0.00548 0.00159 0.00558 N1 3 0.553880 0.717808 0.653964 11.00000 0.01327 0.01845 = 0.01527 0.00078 -0.00178 0.00128 N2 3 0.441590 0.754471 0.623984 11.00000 0.01289 0.01866 = 0.01452 -0.00031 -0.00015 -0.00011 N3 3 0.342650 0.706451 0.730559 11.00000 0.01700 0.01663 = 0.01906 -0.00099 0.00275 -0.00186 C10 4 0.407012 0.550870 0.673328 11.00000 0.01694 0.01395 = 0.01672 0.00056 0.00000 0.00041 AFIX 13 H10 5 0.429727 0.445211 0.674581 11.00000 -1.20000 AFIX 0 C11 4 0.307190 0.582164 0.702382 11.00000 0.01884 0.01508 = 0.01607 0.00227 -0.00132 0.00024 C8 4 0.451603 0.518575 0.590709 11.00000 0.01668 0.02262 = 0.01870 -0.00325 -0.00155 0.00309 C20 4 0.243371 0.609983 0.603105 11.00000 0.01666 0.01764 = 0.01410 0.00063 0.00140 0.00073 C23 4 -0.006491 0.608893 0.572962 11.00000 0.01501 0.02116 = 0.01971 0.00040 -0.00167 0.00010 C24 4 0.047803 0.732873 0.596218 11.00000 0.01771 0.01817 = 0.02157 -0.00131 -0.00001 0.00328 AFIX 43 H24 5 0.000763 0.814820 0.601727 11.00000 -1.20000 AFIX 0 C26 4 0.267767 0.773970 0.760938 11.00000 0.02050 0.01558 = 0.02087 -0.00133 0.00727 -0.00356 C13 4 0.514579 0.649237 0.694400 11.00000 0.01566 0.01538 = 0.01541 0.00067 -0.00087 0.00029 AFIX 13 H13 5 0.580178 0.589270 0.711810 11.00000 -1.20000 AFIX 0 C1 4 0.630548 0.850827 0.661589 11.00000 0.01599 0.01714 = 0.01688 -0.00056 0.00193 -0.00054 AFIX 13 H1 5 0.589645 0.929140 0.676818 11.00000 -1.20000 AFIX 0 C22 4 0.062123 0.486577 0.564075 11.00000 0.02052 0.01870 = 0.02499 -0.00403 -0.00020 -0.00211 AFIX 43 H22 5 0.024993 0.404991 0.547983 11.00000 -1.20000 AFIX 0 C4 4 0.774987 0.984902 0.621470 11.00000 0.01790 0.02367 = 0.02272 -0.00034 0.00464 -0.00154 AFIX 23 H4A 5 0.761707 1.091192 0.617166 11.00000 -1.20000 H4B 5 0.826359 0.950308 0.599645 11.00000 -1.20000 AFIX 0 C9 4 0.378936 0.607245 0.622507 11.00000 0.01751 0.01445 = 0.01563 -0.00195 -0.00018 0.00126 C25 4 0.172915 0.733074 0.611125 11.00000 0.01974 0.01774 = 0.01704 -0.00186 0.00057 0.00041 AFIX 43 H25 5 0.209994 0.815833 0.626560 11.00000 -1.20000 AFIX 0 C7 4 0.471809 0.769190 0.576201 11.00000 0.01795 0.02005 = 0.01480 -0.00003 0.00127 0.00291 C15 4 0.302676 0.755932 0.506173 11.00000 0.02344 0.02425 = 0.02063 0.00419 -0.00101 -0.00138 AFIX 43 H15 5 0.330582 0.662677 0.498676 11.00000 -1.20000 AFIX 0 C19 4 0.325631 0.977920 0.553117 11.00000 0.02527 0.02528 = 0.01851 0.00138 0.00152 0.00335 AFIX 43 H19 5 0.369008 1.033008 0.577248 11.00000 -1.20000 AFIX 0 C18 4 0.222538 1.038216 0.526376 11.00000 0.02957 0.03375 = 0.02467 0.00794 0.00654 0.01216 AFIX 43 H18 5 0.196434 1.133321 0.532865 11.00000 -1.20000 AFIX 0 C14 4 0.364020 0.834817 0.543761 11.00000 0.01545 0.02337 = 0.01813 0.00362 0.00236 0.00063 C29 4 0.126264 0.908985 0.819205 11.00000 0.02929 0.02491 = 0.02774 -0.00346 0.01418 -0.00384 AFIX 43 H29 5 0.078813 0.954389 0.838805 11.00000 -1.20000 AFIX 0 C27 4 0.317721 0.800800 0.806856 11.00000 0.02058 0.02080 = 0.02205 -0.00081 0.00464 -0.00520 AFIX 43 H27 5 0.397678 0.772892 0.818088 11.00000 -1.20000 AFIX 0 C5 4 0.655125 0.902274 0.614701 11.00000 0.01575 0.01834 = 0.02136 0.00170 0.00533 0.00228 C6 4 0.585937 0.859512 0.575694 11.00000 0.01693 0.02586 = 0.01721 0.00353 0.00361 0.00256 AFIX 43 H6 5 0.608406 0.885895 0.547397 11.00000 -1.20000 AFIX 0 C2 4 0.759058 0.821806 0.687958 11.00000 0.01538 0.02392 = 0.02087 0.00082 -0.00067 -0.00020 AFIX 23 H2A 5 0.789682 0.725794 0.679713 11.00000 -1.20000 H2B 5 0.760065 0.825211 0.721237 11.00000 -1.20000 AFIX 0 C21 4 0.187366 0.487094 0.579505 11.00000 0.02008 0.01738 = 0.02231 -0.00403 0.00118 0.00185 AFIX 43 H21 5 0.234057 0.404796 0.574025 11.00000 -1.20000 AFIX 0 C28 4 0.246249 0.870269 0.835943 11.00000 0.02856 0.02595 = 0.02123 -0.00534 0.00755 -0.00920 AFIX 43 H28 5 0.279144 0.890644 0.866615 11.00000 -1.20000 AFIX 0 C12 4 0.459852 0.755937 0.726530 11.00000 0.01681 0.01903 = 0.01480 0.00340 -0.00036 0.00032 C31 4 0.147975 0.813110 0.743648 11.00000 0.02251 0.02395 = 0.01982 0.00098 0.00279 -0.00129 AFIX 43 H31 5 0.115587 0.794946 0.712785 11.00000 -1.20000 AFIX 0 C17 4 0.158387 0.957188 0.490047 11.00000 0.01856 0.04607 = 0.02431 0.01320 0.00244 0.00754 AFIX 43 H17 5 0.088219 0.996736 0.472645 11.00000 -1.20000 AFIX 0 C16 4 0.199062 0.817684 0.479822 11.00000 0.02353 0.03715 = 0.02134 0.00704 -0.00284 -0.00698 AFIX 43 H16 5 0.156851 0.764226 0.455058 11.00000 -1.20000 AFIX 0 C3 4 0.834494 0.950392 0.671840 11.00000 0.01612 0.02468 = 0.02183 -0.00001 0.00154 -0.00102 AFIX 23 H3A 5 0.918988 0.920652 0.672932 11.00000 -1.20000 H3B 5 0.831755 1.037233 0.691451 11.00000 -1.20000 AFIX 0 C30 4 0.076846 0.880413 0.773521 11.00000 0.02132 0.02825 = 0.03032 0.00137 0.00792 0.00215 AFIX 43 H30 5 -0.003836 0.905951 0.762599 11.00000 -1.20000 AFIX 0 C32 4 0.159947 0.173444 0.677641 11.00000 0.03611 0.02734 = 0.03206 -0.00871 0.00604 -0.00441 AFIX 23 H32A 5 0.120159 0.133079 0.702237 11.00000 -1.20000 H32B 5 0.165578 0.280683 0.681658 11.00000 -1.20000 AFIX 0 HKLF 4 REM cd1388a_a.res in P2(1)/c REM R1 = 0.0369 for 5878 Fo > 4sig(Fo) and 0.0421 for all 6584 data REM 379 parameters refined using 1 restraints END WGHT 0.0446 2.2191 REM Highest difference peak 0.846, deepest hole -0.528, 1-sigma level 0.070 Q1 1 0.5796 0.7152 0.6594 11.00000 0.05 0.85 Q2 1 0.4153 0.7652 0.6180 11.00000 0.05 0.80 Q3 1 -0.2420 0.6019 0.5770 11.00000 0.05 0.47 Q4 1 -0.1433 0.6105 0.5259 11.00000 0.05 0.41 Q5 1 -0.1773 0.5191 0.5447 11.00000 0.05 0.41 REM The information below was added by Olex2. REM REM R1 = 0.0369 for 5878 Fo > 4sig(Fo) and 0.0421 for all 45939 data REM n/a parameters refined using n/a restraints REM Highest difference peak 0.85, deepest hole -0.53 REM Mean Shift 0, Max Shift 0.004. REM +++ Tabular Listing of Refinement Information +++ REM R1_all = 0.0421 REM R1_gt = 0.0369 REM wR_ref = 0.0946 REM GOOF = 1.095 REM Shift_max = 0.004 REM Shift_mean = 0 REM Reflections_all = 45939 REM Reflections_gt = 5878 REM Parameters = n/a REM Hole = -0.53 REM Peak = 0.85 REM Flack = n/a ; _cod_data_source_file ja5b12877_si_004.cif _cod_data_source_block cd1388a _cod_depositor_comments 'Adding full bibliography for 4124897--4124899.cif.' _cod_database_code 4124899 _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 0.732 _shelx_estimated_absorpt_t_min 0.732 _olex2_refinement_description ; 1. Fixed Uiso At 1.2 times of: All C(H) groups, All C(H,H) groups 2. Restrained distances N1-N2 1.33 with sigma of 0.003 3.a Ternary CH refined with riding coordinates: C10(H10), C13(H13), C1(H1) 3.b Secondary CH2 refined with riding coordinates: C4(H4A,H4B), C2(H2A,H2B), C3(H3A,H3B), C32(H32A,H32B) 3.c Aromatic/amide H refined with riding coordinates: C24(H24), C22(H22), C25(H25), C15(H15), C19(H19), C18(H18), C29(H29), C27(H27), C6(H6), C21(H21), C28(H28), C31(H31), C17(H17), C16(H16), C30(H30) ; _shelx_shelxl_version_number 2014/7 _olex2_exptl_crystal_mounting_method 'glass fiber' _olex2_submission_special_instructions 'No special instructions were received' loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y-1/2, z-1/2' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_site_symmetry_order _atom_site_calc_flag _atom_site_refinement_flags_posn Br1 Br -0.17860(2) 0.60823(2) 0.55437(2) 0.02466(7) Uani 1 1 d . Cl2 Cl 0.07155(5) 0.13244(6) 0.62353(2) 0.03052(13) Uani 1 1 d . Cl1 Cl 0.30893(6) 0.09736(7) 0.68191(2) 0.03843(15) Uani 1 1 d . O1 O 0.49562(14) 0.61505(15) 0.56188(5) 0.0207(3) Uani 1 1 d . O3 O 0.21290(13) 0.51472(16) 0.70242(5) 0.0211(3) Uani 1 1 d . O4 O 0.50777(14) 0.86469(16) 0.74581(5) 0.0211(3) Uani 1 1 d . O2 O 0.46737(15) 0.38631(16) 0.58977(6) 0.0255(3) Uani 1 1 d . N1 N 0.55388(14) 0.71781(18) 0.65396(5) 0.0161(3) Uani 1 1 d D N2 N 0.44159(14) 0.75447(18) 0.62398(5) 0.0156(3) Uani 1 1 d D N3 N 0.34265(15) 0.70645(18) 0.73056(6) 0.0176(3) Uani 1 1 d . C10 C 0.40701(18) 0.5509(2) 0.67333(6) 0.0162(4) Uani 1 1 d . H10 H 0.4297 0.4452 0.6746 0.019 Uiso 1 1 calc R C11 C 0.30719(19) 0.5822(2) 0.70238(7) 0.0171(4) Uani 1 1 d . C8 C 0.45160(19) 0.5186(2) 0.59071(7) 0.0198(4) Uani 1 1 d . C20 C 0.24337(18) 0.6100(2) 0.60311(7) 0.0162(4) Uani 1 1 d . C23 C -0.00649(19) 0.6089(2) 0.57296(7) 0.0191(4) Uani 1 1 d . C24 C 0.04780(19) 0.7329(2) 0.59622(7) 0.0195(4) Uani 1 1 d . H24 H 0.0008 0.8148 0.6017 0.023 Uiso 1 1 calc R C26 C 0.26777(19) 0.7740(2) 0.76094(7) 0.0186(4) Uani 1 1 d . C13 C 0.51458(18) 0.6492(2) 0.69440(6) 0.0158(4) Uani 1 1 d . H13 H 0.5802 0.5893 0.7118 0.019 Uiso 1 1 calc R C1 C 0.63055(18) 0.8508(2) 0.66159(7) 0.0167(4) Uani 1 1 d . H1 H 0.5896 0.9291 0.6768 0.020 Uiso 1 1 calc R C22 C 0.06212(19) 0.4866(2) 0.56407(7) 0.0218(4) Uani 1 1 d . H22 H 0.0250 0.4050 0.5480 0.026 Uiso 1 1 calc R C4 C 0.77499(19) 0.9849(2) 0.62147(7) 0.0213(4) Uani 1 1 d . H4A H 0.7617 1.0912 0.6172 0.026 Uiso 1 1 calc R H4B H 0.8264 0.9503 0.5996 0.026 Uiso 1 1 calc R C9 C 0.37894(18) 0.6072(2) 0.62251(7) 0.0162(4) Uani 1 1 d . C25 C 0.17292(18) 0.7331(2) 0.61112(7) 0.0184(4) Uani 1 1 d . H25 H 0.2100 0.8158 0.6266 0.022 Uiso 1 1 calc R C7 C 0.47181(18) 0.7692(2) 0.57620(7) 0.0177(4) Uani 1 1 d . C15 C 0.3027(2) 0.7559(2) 0.50617(7) 0.0233(4) Uani 1 1 d . H15 H 0.3306 0.6627 0.4987 0.028 Uiso 1 1 calc R C19 C 0.3256(2) 0.9779(2) 0.55312(7) 0.0232(4) Uani 1 1 d . H19 H 0.3690 1.0330 0.5772 0.028 Uiso 1 1 calc R C18 C 0.2225(2) 1.0382(3) 0.52638(8) 0.0291(5) Uani 1 1 d . H18 H 0.1964 1.1333 0.5329 0.035 Uiso 1 1 calc R C14 C 0.36402(18) 0.8348(2) 0.54376(7) 0.0190(4) Uani 1 1 d . C29 C 0.1263(2) 0.9090(2) 0.81920(8) 0.0263(5) Uani 1 1 d . H29 H 0.0788 0.9544 0.8388 0.032 Uiso 1 1 calc R C27 C 0.31772(19) 0.8008(2) 0.80686(7) 0.0210(4) Uani 1 1 d . H27 H 0.3977 0.7729 0.8181 0.025 Uiso 1 1 calc R C5 C 0.65513(19) 0.9023(2) 0.61470(7) 0.0182(4) Uani 1 1 d . C6 C 0.58594(19) 0.8595(2) 0.57569(7) 0.0199(4) Uani 1 1 d . H6 H 0.6084 0.8859 0.5474 0.024 Uiso 1 1 calc R C2 C 0.75906(18) 0.8218(2) 0.68796(7) 0.0204(4) Uani 1 1 d . H2A H 0.7897 0.7258 0.6797 0.025 Uiso 1 1 calc R H2B H 0.7601 0.8252 0.7212 0.025 Uiso 1 1 calc R C21 C 0.18737(19) 0.4871(2) 0.57950(7) 0.0202(4) Uani 1 1 d . H21 H 0.2341 0.4048 0.5740 0.024 Uiso 1 1 calc R C28 C 0.2462(2) 0.8703(2) 0.83594(8) 0.0249(4) Uani 1 1 d . H28 H 0.2791 0.8906 0.8666 0.030 Uiso 1 1 calc R C12 C 0.45985(18) 0.7559(2) 0.72653(6) 0.0172(4) Uani 1 1 d . C31 C 0.1480(2) 0.8131(2) 0.74365(7) 0.0222(4) Uani 1 1 d . H31 H 0.1156 0.7949 0.7128 0.027 Uiso 1 1 calc R C17 C 0.1584(2) 0.9572(3) 0.49005(8) 0.0297(5) Uani 1 1 d . H17 H 0.0882 0.9967 0.4726 0.036 Uiso 1 1 calc R C16 C 0.1991(2) 0.8177(3) 0.47982(8) 0.0280(5) Uani 1 1 d . H16 H 0.1569 0.7642 0.4551 0.034 Uiso 1 1 calc R C3 C 0.83449(19) 0.9504(2) 0.67184(7) 0.0210(4) Uani 1 1 d . H3A H 0.9190 0.9207 0.6729 0.025 Uiso 1 1 calc R H3B H 0.8318 1.0372 0.6915 0.025 Uiso 1 1 calc R C30 C 0.0768(2) 0.8804(2) 0.77352(8) 0.0262(5) Uani 1 1 d . H30 H -0.0038 0.9060 0.7626 0.031 Uiso 1 1 calc R C32 C 0.1599(2) 0.1734(3) 0.67764(9) 0.0318(5) Uani 1 1 d . H32A H 0.1202 0.1331 0.7022 0.038 Uiso 1 1 calc R H32B H 0.1656 0.2807 0.6817 0.038 Uiso 1 1 calc R 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 Br1 0.01495(11) 0.02587(12) 0.03137(13) -0.00178(8) -0.00188(8) -0.00020(7) Cl2 0.0280(3) 0.0280(3) 0.0345(3) -0.0007(2) 0.0015(2) -0.0042(2) Cl1 0.0335(3) 0.0374(3) 0.0405(3) -0.0050(3) -0.0062(3) 0.0001(2) O1 0.0209(7) 0.0223(7) 0.0187(7) -0.0026(6) 0.0029(6) 0.0049(6) O3 0.0202(7) 0.0194(7) 0.0235(7) -0.0005(6) 0.0027(6) -0.0040(6) O4 0.0211(7) 0.0230(7) 0.0191(7) -0.0056(6) 0.0030(6) -0.0052(6) O2 0.0267(8) 0.0201(7) 0.0287(8) -0.0055(6) 0.0016(7) 0.0056(6) N1 0.0133(8) 0.0184(8) 0.0153(7) 0.0008(6) -0.0018(6) 0.0013(6) N2 0.0129(7) 0.0187(8) 0.0145(7) -0.0003(6) -0.0002(6) -0.0001(6) N3 0.0170(8) 0.0166(7) 0.0191(8) -0.0010(6) 0.0027(7) -0.0019(6) C10 0.0169(9) 0.0140(8) 0.0167(9) 0.0006(7) 0.0000(7) 0.0004(7) C11 0.0188(9) 0.0151(8) 0.0161(9) 0.0023(7) -0.0013(8) 0.0002(7) C8 0.0167(9) 0.0226(10) 0.0187(9) -0.0032(8) -0.0016(8) 0.0031(8) C20 0.0167(9) 0.0176(9) 0.0141(8) 0.0006(7) 0.0014(7) 0.0007(7) C23 0.0150(9) 0.0212(9) 0.0197(9) 0.0004(7) -0.0017(8) 0.0001(7) C24 0.0177(9) 0.0182(9) 0.0216(9) -0.0013(8) 0.0000(8) 0.0033(7) C26 0.0205(10) 0.0156(9) 0.0209(9) -0.0013(7) 0.0073(8) -0.0036(7) C13 0.0157(9) 0.0154(8) 0.0154(8) 0.0007(7) -0.0009(7) 0.0003(7) C1 0.0160(9) 0.0171(8) 0.0169(9) -0.0006(7) 0.0019(7) -0.0005(7) C22 0.0205(10) 0.0187(9) 0.0250(10) -0.0040(8) -0.0002(8) -0.0021(8) C4 0.0179(10) 0.0237(10) 0.0227(10) -0.0003(8) 0.0046(8) -0.0015(8) C9 0.0175(9) 0.0144(8) 0.0156(8) -0.0019(7) -0.0002(7) 0.0013(7) C25 0.0197(10) 0.0177(9) 0.0170(9) -0.0019(7) 0.0006(8) 0.0004(7) C7 0.0180(9) 0.0200(9) 0.0148(8) 0.0000(7) 0.0013(7) 0.0029(7) C15 0.0234(10) 0.0242(10) 0.0206(9) 0.0042(8) -0.0010(8) -0.0014(8) C19 0.0253(11) 0.0253(10) 0.0185(9) 0.0014(8) 0.0015(8) 0.0033(8) C18 0.0296(12) 0.0338(12) 0.0247(11) 0.0079(9) 0.0065(9) 0.0122(10) C14 0.0155(9) 0.0234(10) 0.0181(9) 0.0036(8) 0.0024(8) 0.0006(8) C29 0.0293(12) 0.0249(10) 0.0277(11) -0.0035(8) 0.0142(10) -0.0038(9) C27 0.0206(10) 0.0208(9) 0.0220(10) -0.0008(8) 0.0046(8) -0.0052(8) C5 0.0157(9) 0.0183(9) 0.0214(9) 0.0017(7) 0.0053(8) 0.0023(7) C6 0.0169(9) 0.0259(10) 0.0172(9) 0.0035(8) 0.0036(8) 0.0026(8) C2 0.0154(9) 0.0239(10) 0.0209(9) 0.0008(8) -0.0007(8) -0.0002(8) C21 0.0201(10) 0.0174(9) 0.0223(9) -0.0040(8) 0.0012(8) 0.0019(7) C28 0.0286(11) 0.0259(10) 0.0212(10) -0.0053(8) 0.0076(9) -0.0092(9) C12 0.0168(9) 0.0190(9) 0.0148(8) 0.0034(7) -0.0004(7) 0.0003(7) C31 0.0225(10) 0.0239(10) 0.0198(9) 0.0010(8) 0.0028(8) -0.0013(8) C17 0.0186(10) 0.0461(13) 0.0243(11) 0.0132(10) 0.0024(9) 0.0075(10) C16 0.0235(11) 0.0371(12) 0.0213(10) 0.0070(9) -0.0028(9) -0.0070(9) C3 0.0161(9) 0.0247(10) 0.0218(10) 0.0000(8) 0.0015(8) -0.0010(8) C30 0.0213(11) 0.0283(11) 0.0303(11) 0.0014(9) 0.0079(9) 0.0021(8) C32 0.0361(13) 0.0273(11) 0.0321(12) -0.0087(10) 0.0060(10) -0.0044(10) loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source Br Br -0.2901 2.4595 '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' N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 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' loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle C8 O1 C7 108.94(15) N2 N1 C13 104.34(14) N2 N1 C1 109.39(14) C13 N1 C1 117.54(15) N1 N2 C9 99.76(14) N1 N2 C7 106.72(14) C9 N2 C7 102.95(14) C11 N3 C26 123.98(17) C12 N3 C11 112.44(16) C12 N3 C26 123.57(16) C11 C10 H10 111.3 C11 C10 C13 104.99(15) C11 C10 C9 114.72(16) C13 C10 H10 111.3 C13 C10 C9 102.84(15) C9 C10 H10 111.3 O3 C11 N3 124.03(19) O3 C11 C10 127.83(18) N3 C11 C10 108.14(16) O1 C8 C9 108.58(16) O2 C8 O1 123.4(2) O2 C8 C9 128.0(2) C25 C20 C9 119.85(17) C21 C20 C9 120.59(17) C21 C20 C25 119.47(19) C24 C23 Br1 118.71(15) C22 C23 Br1 120.10(15) C22 C23 C24 121.18(19) C23 C24 H24 120.4 C25 C24 C23 119.29(18) C25 C24 H24 120.4 C27 C26 N3 119.08(18) C27 C26 C31 121.33(19) C31 C26 N3 119.58(18) N1 C13 C10 103.38(14) N1 C13 H13 111.1 N1 C13 C12 115.48(15) C10 C13 H13 111.1 C12 C13 C10 104.31(16) C12 C13 H13 111.1 N1 C1 H1 110.8 N1 C1 C5 107.18(16) N1 C1 C2 114.24(16) C5 C1 H1 110.8 C5 C1 C2 102.76(16) C2 C1 H1 110.8 C23 C22 H22 120.4 C23 C22 C21 119.18(19) C21 C22 H22 120.4 H4A C4 H4B 108.8 C5 C4 H4A 110.7 C5 C4 H4B 110.7 C5 C4 C3 105.18(16) C3 C4 H4A 110.7 C3 C4 H4B 110.7 N2 C9 C10 103.82(15) N2 C9 C8 100.90(16) N2 C9 C20 115.19(15) C8 C9 C10 111.21(15) C20 C9 C10 113.51(16) C20 C9 C8 111.34(16) C20 C25 H25 119.8 C24 C25 C20 120.39(18) C24 C25 H25 119.8 O1 C7 N2 104.94(15) O1 C7 C14 110.08(16) O1 C7 C6 108.21(16) N2 C7 C14 110.24(16) N2 C7 C6 111.73(16) C6 C7 C14 111.41(16) C14 C15 H15 120.3 C14 C15 C16 119.5(2) C16 C15 H15 120.3 C18 C19 H19 120.0 C18 C19 C14 119.9(2) C14 C19 H19 120.0 C19 C18 H18 119.9 C17 C18 C19 120.2(2) C17 C18 H18 119.9 C15 C14 C7 122.20(18) C15 C14 C19 119.82(19) C19 C14 C7 117.97(18) C28 C29 H29 119.8 C30 C29 H29 119.8 C30 C29 C28 120.4(2) C26 C27 H27 120.5 C26 C27 C28 119.1(2) C28 C27 H27 120.5 C4 C5 C1 108.24(17) C6 C5 C1 121.84(19) C6 C5 C4 129.35(19) C7 C6 H6 119.3 C5 C6 C7 121.43(19) C5 C6 H6 119.3 C1 C2 H2A 111.1 C1 C2 H2B 111.1 C1 C2 C3 103.08(16) H2A C2 H2B 109.1 C3 C2 H2A 111.1 C3 C2 H2B 111.1 C20 C21 H21 119.8 C22 C21 C20 120.49(19) C22 C21 H21 119.8 C29 C28 C27 120.2(2) C29 C28 H28 119.9 C27 C28 H28 119.9 O4 C12 N3 124.42(18) O4 C12 C13 127.09(18) N3 C12 C13 108.48(16) C26 C31 H31 120.6 C26 C31 C30 118.85(19) C30 C31 H31 120.6 C18 C17 H17 120.1 C16 C17 C18 119.7(2) C16 C17 H17 120.1 C15 C16 H16 119.6 C17 C16 C15 120.7(2) C17 C16 H16 119.6 C4 C3 H3A 110.6 C4 C3 H3B 110.6 C2 C3 C4 105.62(16) C2 C3 H3A 110.6 C2 C3 H3B 110.6 H3A C3 H3B 108.7 C29 C30 C31 120.2(2) C29 C30 H30 119.9 C31 C30 H30 119.9 Cl2 C32 Cl1 111.30(13) Cl2 C32 H32A 109.4 Cl2 C32 H32B 109.4 Cl1 C32 H32A 109.4 Cl1 C32 H32B 109.4 H32A C32 H32B 108.0 loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance Br1 C23 1.900(2) Cl2 C32 1.761(2) Cl1 C32 1.774(3) O1 C8 1.351(3) O1 C7 1.480(2) O3 C11 1.208(3) O4 C12 1.207(2) O2 C8 1.200(2) N1 N2 1.4427(18) N1 C13 1.457(2) N1 C1 1.462(2) N2 C9 1.490(2) N2 C7 1.490(2) N3 C11 1.404(2) N3 C26 1.440(3) N3 C12 1.396(3) C10 H10 0.9800 C10 C11 1.523(3) C10 C13 1.533(3) C10 C9 1.551(3) C8 C9 1.542(3) C20 C9 1.521(3) C20 C25 1.394(3) C20 C21 1.393(3) C23 C24 1.390(3) C23 C22 1.383(3) C24 H24 0.9300 C24 C25 1.387(3) C26 C27 1.388(3) C26 C31 1.390(3) C13 H13 0.9800 C13 C12 1.531(3) C1 H1 0.9800 C1 C5 1.509(3) C1 C2 1.532(3) C22 H22 0.9300 C22 C21 1.391(3) C4 H4A 0.9700 C4 H4B 0.9700 C4 C5 1.508(3) C4 C3 1.545(3) C25 H25 0.9300 C7 C14 1.522(3) C7 C6 1.505(3) C15 H15 0.9300 C15 C14 1.390(3) C15 C16 1.393(3) C19 H19 0.9300 C19 C18 1.388(3) C19 C14 1.393(3) C18 H18 0.9300 C18 C17 1.386(4) C29 H29 0.9300 C29 C28 1.388(3) C29 C30 1.383(3) C27 H27 0.9300 C27 C28 1.396(3) C5 C6 1.325(3) C6 H6 0.9300 C2 H2A 0.9700 C2 H2B 0.9700 C2 C3 1.541(3) C21 H21 0.9300 C28 H28 0.9300 C31 H31 0.9300 C31 C30 1.401(3) C17 H17 0.9300 C17 C16 1.379(4) C16 H16 0.9300 C3 H3A 0.9700 C3 H3B 0.9700 C30 H30 0.9300 C32 H32A 0.9700 C32 H32B 0.9700 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 Br1 C23 C24 C25 178.21(15) Br1 C23 C22 C21 -177.62(16) O1 C8 C9 N2 -27.86(19) O1 C8 C9 C10 -137.47(16) O1 C8 C9 C20 94.86(19) O1 C7 C14 C15 -1.2(3) O1 C7 C14 C19 177.64(17) O1 C7 C6 C5 -107.6(2) O2 C8 C9 N2 153.3(2) O2 C8 C9 C10 43.7(3) O2 C8 C9 C20 -83.9(3) N1 N2 C9 C10 41.32(17) N1 N2 C9 C8 -73.94(16) N1 N2 C9 C20 166.05(15) N1 N2 C7 O1 71.65(17) N1 N2 C7 C14 -169.85(15) N1 N2 C7 C6 -45.4(2) N1 C13 C12 O4 -57.3(3) N1 C13 C12 N3 123.09(17) N1 C1 C5 C4 -153.02(16) N1 C1 C5 C6 19.1(3) N1 C1 C2 C3 154.59(16) N2 N1 C13 C10 40.91(17) N2 N1 C13 C12 -72.34(18) N2 N1 C1 C5 -59.62(19) N2 N1 C1 C2 -172.75(15) N2 C7 C14 C15 -116.5(2) N2 C7 C14 C19 62.3(2) N2 C7 C6 C5 7.4(3) N3 C26 C27 C28 178.12(18) N3 C26 C31 C30 -179.20(18) C10 C13 C12 O4 -170.01(19) C10 C13 C12 N3 10.38(19) C11 N3 C26 C27 129.8(2) C11 N3 C26 C31 -51.3(3) C11 N3 C12 O4 176.65(18) C11 N3 C12 C13 -3.7(2) C11 C10 C13 N1 -133.74(15) C11 C10 C13 C12 -12.61(18) C11 C10 C9 N2 96.33(18) C11 C10 C9 C8 -155.95(16) C11 C10 C9 C20 -29.5(2) C8 O1 C7 N2 15.70(19) C8 O1 C7 C14 -102.91(18) C8 O1 C7 C6 135.12(16) C23 C24 C25 C20 -0.4(3) C23 C22 C21 C20 -0.8(3) C24 C23 C22 C21 1.2(3) C26 N3 C11 O3 -3.8(3) C26 N3 C11 C10 176.39(17) C26 N3 C12 O4 -4.5(3) C26 N3 C12 C13 175.16(16) C26 C27 C28 C29 1.3(3) C26 C31 C30 C29 0.9(3) C13 N1 N2 C9 -51.80(16) C13 N1 N2 C7 -158.60(15) C13 N1 C1 C5 -178.28(15) C13 N1 C1 C2 68.6(2) C13 C10 C11 O3 -168.80(19) C13 C10 C11 N3 11.01(19) C13 C10 C9 N2 -17.06(18) C13 C10 C9 C8 90.66(18) C13 C10 C9 C20 -142.86(16) C1 N1 N2 C9 -178.38(15) C1 N1 N2 C7 74.82(18) C1 N1 C13 C10 162.23(15) C1 N1 C13 C12 49.0(2) C1 C5 C6 C7 6.0(3) C1 C2 C3 C4 -31.8(2) C22 C23 C24 C25 -0.6(3) C4 C5 C6 C7 176.28(19) C9 N2 C7 O1 -32.87(17) C9 N2 C7 C14 85.63(18) C9 N2 C7 C6 -149.90(16) C9 C10 C11 O3 79.1(3) C9 C10 C11 N3 -101.11(18) C9 C10 C13 N1 -13.41(18) C9 C10 C13 C12 107.72(16) C9 C20 C25 C24 -175.80(18) C9 C20 C21 C22 176.36(19) C25 C20 C9 N2 -34.4(3) C25 C20 C9 C10 85.1(2) C25 C20 C9 C8 -148.45(18) C25 C20 C21 C22 -0.1(3) C7 O1 C8 O2 -173.41(19) C7 O1 C8 C9 7.7(2) C7 N2 C9 C10 151.15(15) C7 N2 C9 C8 35.88(17) C7 N2 C9 C20 -84.12(18) C19 C18 C17 C16 -1.6(4) C18 C19 C14 C7 -175.6(2) C18 C19 C14 C15 3.3(3) C18 C17 C16 C15 1.3(3) C14 C7 C6 C5 131.3(2) C14 C15 C16 C17 1.4(3) C14 C19 C18 C17 -0.7(3) C27 C26 C31 C30 -0.3(3) C5 C1 C2 C3 38.85(19) C5 C4 C3 C2 12.3(2) C6 C7 C14 C15 118.8(2) C6 C7 C14 C19 -62.3(2) C2 C1 C5 C4 -32.3(2) C2 C1 C5 C6 139.80(19) C21 C20 C9 N2 149.16(18) C21 C20 C9 C10 -91.3(2) C21 C20 C9 C8 35.1(2) C21 C20 C25 C24 0.7(3) C28 C29 C30 C31 -0.5(3) C12 N3 C11 O3 175.10(19) C12 N3 C11 C10 -4.7(2) C12 N3 C26 C27 -49.0(3) C12 N3 C26 C31 130.0(2) C31 C26 C27 C28 -0.8(3) C16 C15 C14 C7 175.20(19) C16 C15 C14 C19 -3.6(3) C3 C4 C5 C1 12.5(2) C3 C4 C5 C6 -158.8(2) C30 C29 C28 C27 -0.6(3) loop_ _refln_index_h _refln_index_k _refln_index_l _refln_F_squared_meas _refln_F_squared_sigma 0 0 -4 1000.81 13.57 0 0 4 945.05 12.84 0 0 -5 -1.12 0.97 0 0 5 -1.15 0.88 0 0 5 1.01 0.72 0 0 -5 -0.39 0.89 0 0 -6 1390.06 18.94 0 0 6 1401.99 19.13 0 0 6 1387.42 18.94 0 0 -6 1372.05 18.75 0 0 7 1.66 1.33 0 0 -9 1.35 0.83 0 0 9 0.62 0.53 0 0 9 1.34 0.63 0 0 -10 103.61 8.36 0 0 10 100.5 7.19 0 0 10 106.97 7.73 0 0 -11 -1.51 1.26 0 0 11 -0.52 0.84 0 0 11 1.28 0.64 0 0 -12 8.93 1.49 0 0 12 6.8 1.04 0 0 12 8.62 1.16 0 0 -13 -0.47 1.28 0 0 13 1.44 0.94 0 0 -14 1447.87 20.69 0 0 14 1387.25 21.21 0 0 -15 4.37 1.28 0 0 15 -0.37 6.18 0 0 -16 5819.7 51.19 0 0 16 5591.65 49.91 0 0 -17 0.31 1.32 0 0 17 3.4 1.88 0 0 -18 1284.69 25.25 0 0 18 1280.9 22.86 0 0 -19 0.28 1.65 0 0 19 -0.74 1.49 0 0 -20 17.44 3.46 0 0 20 17.44 3.12 0 0 -21 -0.56 1.88 0 0 21 3.56 1.3 0 0 -22 22.98 5.62 0 0 22 25.34 5.91 0 0 -23 1.32 1.05 0 0 23 2.84 1.72 0 0 -24 4.09 2.13 0 0 24 6.1 2.14 0 0 -25 -0.08 1.7 0 0 25 1.31 0.93 0 0 -26 61.6 8.25 0 0 26 63.51 8.26 0 0 -27 3.96 2.21 0 0 27 3.43 1.9 0 0 -28 1047.69 25.55 0 0 28 1024.76 27.27 0 0 -29 2.29 2 0 0 29 5.8 2.46 0 0 -30 286.87 8.83 0 0 30 272.41 13.89 0 0 -31 3.69 1.89 0 0 31 0.53 1.1 0 0 -32 29.09 4.2 0 0 32 37.03 4.27 0 0 -33 2.48 1.54 0 0 33 6.9 3.74 0 0 -34 108.53 7.1 0 0 34 115.38 8.74 0 0 -35 4.55 2.74 0 0 35 1.88 1.74 0 0 -36 1.22 1.12 0 0 36 4.2 2.65 0 0 -37 0.51 0.96 0 0 37 3.83 2.64 0 0 -43 5.87 5.96 0 0 -44 8.82 5 0 0 -45 1.87 5.15 0 0 -46 115.74 21.79 0 0 -47 9.71 5.66 0 0 -48 6.48 4.24 0 0 -49 1.62 2.93 0 0 -50 13.4 4.13 0 0 -51 3.71 3.32 0 0 -52 0.65 3.04 0 -1 -1 1093.37 14.95 0 -1 1 1137.07 15.45 0 -1 -2 5165.98 43.53 0 -1 -3 48.58 8.53 0 1 3 45.82 5.57 0 -1 3 45.66 4.48 0 1 -3 43.28 4.49 0 -1 -4 4294.19 36.42 0 1 4 4114.62 34.95 0 -1 4 4331.36 36.76 0 1 -4 4319.46 36.6 0 -1 -5 541.83 15.41 0 1 5 577.38 11.81 0 -1 5 569.35 11.38 0 1 -5 568.21 11.32 0 -1 -6 700 17.38 0 1 -6 696.4 13.98 0 1 7 9924.53 2908.22 0 1 -7 9964.97 83.58 0 1 -8 410.01 27.04 0 -1 -8 459.1 30.1 0 -1 8 454.8 12.8 0 -1 8 349.63 102.6 0 -1 9 1336.92 19.58 0 1 9 1347.84 18.45 0 1 -10 -1.7 1.16 0 -1 -10 0.7 0.96 0 -1 10 1.86 0.56 0 -1 10 -3.27 2.62 0 1 10 0.3 0.37 0 1 -11 141.99 5.47 0 -1 -11 146.61 6.05 0 -1 11 136.12 8.53 0 1 11 146.56 5.62 0 1 -12 2495.94 36 0 -1 -12 2543.21 745.31 0 -1 12 2374.95 32.75 0 -1 12 2426.9 35.41 0 1 12 2416.68 708.21 0 1 -13 595.97 12.69 0 -1 -13 611.35 12.8 0 -1 13 587.1 12.82 0 1 13 599.83 11.82 0 1 -14 304.02 7.99 0 -1 -14 304.27 7.94 0 -1 14 271.76 6.37 0 -1 14 299 10.76 0 1 14 306.45 7.36 0 1 -15 466.02 13.34 0 -1 -15 467.48 13.9 0 -1 15 433.01 12.36 0 -1 15 463.57 20.17 0 1 15 460.67 13.35 0 -1 -16 400.91 12.07 0 -1 16 376.95 10.83 0 -1 16 391.5 15.16 0 1 16 387.65 12.35 0 1 -17 43.29 4.33 0 -1 -17 46.47 7.97 0 -1 17 40.97 6.63 0 1 17 36.5 3.98 0 1 -18 175.61 8.1 0 -1 -18 181.49 9 0 -1 18 183.13 11.84 0 1 18 175.1 8.62 0 1 -19 1514.71 21.49 0 -1 -19 1502.44 23.09 0 -1 19 1460.31 21.67 0 1 19 1469.04 22.07 0 1 -20 495.27 15.22 0 -1 -20 528.87 17.08 0 -1 20 488.85 15.89 0 1 20 489.63 15.02 0 1 -21 372.89 12.26 0 -1 -21 372.86 14.18 0 -1 21 372.82 15.55 0 1 21 361.69 144.91 0 1 -22 621.59 185.24 0 1 22 611.47 18.19 0 1 -23 74.63 6.65 0 -1 -23 79.01 6.54 0 -1 23 61.21 5.52 0 1 23 76.92 5.76 0 1 -24 6.33 1.92 0 -1 -24 11.37 3.36 0 -1 24 8.87 3.13 0 1 24 7.99 2.4 0 1 -25 97.47 9.98 0 -1 -25 107.3 11.23 0 -1 25 99.81 7.46 0 1 25 107.39 9.04 0 1 -26 83.2 6.84 0 -1 -26 77.21 11.56 0 -1 26 91.98 58.6 0 1 26 75.57 7.53 0 1 -27 435.32 13.7 0 -1 -27 442 21.53 0 -1 27 414.84 18.63 0 1 27 423.35 12.91 0 1 -28 13.92 4.19 0 -1 -28 16.72 4.56 0 1 28 17.38 4.53 0 -1 28 16.76 4.51 0 1 -29 5.99 2.32 0 -1 -29 8.96 3.48 0 1 29 6.47 2.38 0 -1 29 5.71 2.66 0 1 -30 1.44 1.1 0 -1 -30 3.39 2.23 0 1 30 1.49 1.37 0 -1 30 5.45 4.28 0 1 -31 35.25 5.41 0 -1 -31 35.83 5.52 0 1 31 40.85 5.02 0 -1 31 42.43 6.02 0 1 -32 3.26 2.56 0 -1 -32 7.86 2.89 0 1 32 8.22 2.75 0 -1 32 10.99 3.7 0 1 -33 13.98 4.82 0 -1 -33 24.38 5.29 0 1 33 13.76 4.56 0 -1 33 17.57 4.18 0 1 -34 36.97 8.2 0 -1 -34 54.32 9.2 0 1 34 47.67 9.21 0 -1 34 65.85 10.11 0 -1 -35 253.65 12.97 0 -1 35 248.38 15.8 0 -1 -36 3.85 3.12 0 -1 36 5.54 3.49 0 -1 -37 3.42 3.16 0 -1 37 2.02 1.64 0 -1 -38 -1.28 1.86 0 -1 38 3.02 2.75 0 -1 -39 4.54 2.75 0 -1 39 7.99 3.62 0 1 -42 57.77 15.46 0 1 -43 37.94 8.08 0 1 -44 12.91 6.68 0 -1 -44 10.34 4.43 0 1 -45 10.61 4.79 0 -1 -45 -1.03 4.1 0 1 -46 4.01 4.65 0 -1 -46 14.34 4.74 0 1 -47 16.28 6.82 0 -1 -47 2.57 3.31 0 1 -48 5.99 3.54 0 -1 -48 8.78 4.81 0 1 -49 -0.31 5 0 -1 -49 8.32 4.25 0 1 -50 16.22 5.07 0 -1 -50 5.88 4.21 0 1 -51 -2.97 4.49 0 -1 -51 -2.63 3.19 0 1 -52 6.92 3.62 0 -1 -52 14.76 5.4 0 2 0 3.6 1.39 0 -2 0 4.37 1.31 0 2 0 5.74 1.33 0 -2 0 5.56 1.76 0 2 0 4.16 0.57 0 -2 1 501.02 14.34 0 -2 -1 468.85 13.53 0 2 -1 412.27 11.64 0 2 1 416.54 11.81 0 -2 -1 499.49 14.51 0 -2 1 492.86 14.25 0 2 1 471.22 13.29 0 2 -1 467.83 13.3 0 -2 1 508 14.53 0 2 -1 491.99 13.95 0 -2 -1 498.01 14.16 0 2 -1 483.11 13.37 0 -2 2 1767.73 25.28 0 2 -2 1522.53 22.23 0 -2 -2 1702.25 23.81 0 2 2 1634.34 22.78 0 -2 2 1670.54 24.59 0 2 -2 1599.76 23.03 0 -2 2 1795.46 25.48 0 2 -2 1725.83 24.31 0 2 -2 1824.69 25.11 0 2 -3 5071.56 43.49 0 2 -3 5531.26 47.09 0 2 4 180.49 19.29 0 -2 4 191.01 7.34 0 -2 5 257.82 5.86 0 2 -5 226.01 5.12 0 2 5 233.68 5.36 0 -2 5 235.09 6.7 0 2 -5 239.63 5.78 0 -2 -6 66.19 22.3 0 2 -6 58.06 4.1 0 2 6 58.93 4.31 0 -2 6 57.59 4.55 0 -2 -9 56.53 8.62 0 -2 9 44.17 8.75 0 -2 -10 34.22 5.23 0 -2 10 20.11 8.02 0 -2 -11 673.51 14.29 0 -2 11 642.15 13.38 0 2 -12 96.1 6.8 0 -2 -12 121.63 14.05 0 -2 12 81.39 14.7 0 2 12 100.42 7.23 0 2 -13 3324.11 27.95 0 -2 -13 3287.44 30.15 0 -2 13 3166.08 29.03 0 -2 -14 13.22 2.84 0 -2 14 10.12 1.86 0 2 -15 1773.03 24.61 0 -2 -15 1805.54 28.18 0 -2 15 1702.69 23.47 0 -2 15 1716.03 25.67 0 2 15 1741.93 24.21 0 -2 -16 94.81 11.96 0 -2 16 70.33 4.18 0 -2 16 77.9 5.81 0 2 16 70.79 4.13 0 2 -17 30.1 3.76 0 -2 -17 44.44 6.28 0 -2 17 27.03 3.31 0 -2 17 29.47 5.32 0 2 17 29.61 3.85 0 2 -18 4.17 1.94 0 -2 -18 13.97 3.91 0 -2 18 7.51 1.96 0 -2 18 7.81 2.25 0 2 18 6.95 2.01 0 2 -19 712.17 19.41 0 -2 -19 734.35 21.48 0 -2 19 647.08 17.44 0 -2 19 690.99 23.82 0 2 19 692.61 18.9 0 2 -20 -0.37 1.11 0 -2 -20 5.09 2.46 0 -2 20 0.92 0.43 0 -2 20 2.12 1.26 0 2 20 2.37 0.91 0 2 -21 325.16 12.31 0 -2 -21 330.31 16.69 0 -2 21 283.97 10.72 0 -2 21 299.95 12.27 0 2 21 311.46 12.57 0 2 -22 1.21 0.76 0 -2 -22 6.74 3.42 0 -2 22 1.95 0.9 0 -2 22 2.77 1.57 0 2 22 -0.29 1.12 0 2 -23 804.64 22.46 0 -2 23 802.53 24.49 0 2 23 811.35 23.13 0 2 -24 12.29 3.46 0 -2 -24 18.59 4.33 0 -2 24 20.39 4.44 0 2 24 15.96 4.63 0 2 -25 72.86 5.7 0 -2 -25 95.06 12.47 0 -2 25 88.42 57.68 0 2 25 76.35 4.36 0 2 -26 410.81 15.75 0 -2 -26 433.31 25.73 0 2 26 410.19 16.93 0 -2 26 415.7 21.13 0 2 -27 -0.09 0.64 0 -2 -27 3.12 2.14 0 2 27 0 0.84 0 -2 27 -2.93 2.33 0 2 -28 0.57 0.8 0 -2 -28 0.87 1.79 0 2 28 1.34 1.27 0 -2 28 2.3 1.85 0 2 -29 194.38 7.34 0 -2 -29 218.54 21.47 0 2 29 205.7 7.53 0 -2 29 212.21 10.47 0 2 -30 0.69 0.82 0 -2 -30 4.25 2.44 0 2 30 3.38 1.87 0 -2 30 3.22 1.96 0 -2 -31 296.45 14.76 0 2 31 303.76 7.37 0 -2 31 305.13 12.74 0 -2 -32 16.51 4.21 0 2 32 11.67 3.73 0 -2 32 15.75 3.51 0 -2 -33 163.91 11.28 0 -2 33 169.2 14.16 0 -2 -34 170.65 8.13 0 -2 34 167.43 11.02 0 -2 -35 67.64 9.6 0 -2 35 59.73 9.4 0 -2 -36 19.26 4.95 0 -2 36 18.07 5.12 0 -2 -37 32.28 6.31 0 -2 37 27.3 5.92 0 -2 -38 5.69 3.7 0 -2 38 4.57 2.88 0 -2 -39 -2.81 2.21 0 -2 39 4.62 3.15 0 -2 -40 5.38 3.4 0 -2 40 3.06 2.83 0 2 -40 -7.52 5.41 0 -2 -41 174.94 18.26 0 -2 41 190.3 12.07 0 2 -41 217.85 29.52 0 -2 -42 4.41 3.23 0 2 -42 10.02 4.46 0 2 -43 27.12 7.6 0 2 -44 9.37 4.82 0 -2 -44 6.59 4.65 0 2 -45 11.07 4.64 0 -2 -45 5.47 4.85 0 2 -46 6.51 4.57 0 -2 -46 9.65 5.39 0 2 -47 7.96 4.3 0 -2 -47 9.53 5.05 0 2 -48 4.13 3.65 0 -2 -48 4.83 3.75 0 2 -49 17.74 5.32 0 -2 -49 1.14 3.59 0 2 -50 10.14 6.23 0 -2 -50 5.08 3.64 0 2 -51 0.46 2.5 0 -2 -51 -6.19 4.18 0 -3 0 2.21 1.25 0 3 0 1.56 0.65 0 -3 0 -2.36 1.84 0 -3 0 2.45 1.12 0 3 0 0.81 0.57 0 -3 1 45.91 4.88 0 -3 -1 42.94 5.18 0 3 -1 40.49 5.4 0 -3 -1 47.39 5.86 0 -3 1 45.53 6.69 0 3 1 38.4 5.5 0 -3 1 43.7 4.37 0 -3 -1 41.65 5.34 0 3 -1 44.87 4.41 0 3 -1 42.99 4.14 0 -3 2 18.88 2.64 0 -3 -2 15.93 2.81 0 3 -2 14.44 2.42 0 -3 -2 13.52 2.25 0 -3 2 14.05 2.02 0 3 2 11.51 1.26 0 -3 2 18.42 2.54 0 3 -2 15.16 1.52 0 -3 -2 17.27 2.52 0 3 -2 14.06 1.38 0 -3 3 591.34 16.75 0 3 -3 527.84 10.35 0 -3 -3 573.09 16.48 0 -3 3 570.35 16.26 0 3 3 554.25 10.97 0 -3 3 601.03 17.07 0 -3 -3 581.95 16.43 0 3 -3 604.74 16.8 0 -3 -4 2931.88 26.61 0 3 -4 2762.63 23.77 0 -3 -4 3007.97 25.95 0 3 4 2869.87 24.97 0 -3 4 2972.59 26.9 0 -3 4 3148.6 27.7 0 -3 5 0.97 0.56 0 3 -5 -0.41 0.48 0 3 5 1.39 0.56 0 3 -5 -0.93 0.87 0 -3 6 2284.43 31.37 0 -3 -6 2081.83 30.48 0 3 -6 2044.7 28.1 0 3 6 2051.97 28.41 0 -3 6 2089.15 30.49 0 -3 7 83.5 5.99 0 -3 -7 58.37 4.74 0 3 -7 71.21 5.07 0 3 7 67.72 4.96 0 -3 7 68.5 12.03 0 -3 -8 226.59 6.86 0 3 -8 219.75 4.99 0 3 8 223.47 5.26 0 -3 8 215.4 6.32 0 -3 -9 80.57 10.88 0 3 9 89.38 6.36 0 -3 9 80.59 7.27 0 -3 -10 497.88 14.83 0 3 10 517.9 14.56 0 -3 10 494.2 14.66 0 -3 -11 399.76 16.54 0 3 11 395.36 11.14 0 -3 11 348.22 12.7 0 -3 -12 1286.53 19.24 0 3 12 1294.11 17.61 0 -3 12 1248.4 19.24 0 -3 -13 6 1.56 0 -3 13 8.23 1.88 0 -3 -14 2574.32 36.59 0 -3 14 2416.64 35.86 0 -3 -15 15.71 4.38 0 -3 15 4.39 2.58 0 3 15 9.54 2.52 0 -3 -16 278.45 16.36 0 -3 16 259.71 10.63 0 3 16 260.41 8.61 0 -3 -17 154.09 17.23 0 -3 17 111.18 13.75 0 3 17 123.12 4.51 0 -3 -18 341 12.82 0 -3 18 335.14 16.32 0 3 18 341.77 11.11 0 -3 -19 741.28 22.31 0 -3 19 659.54 19.62 0 -3 -20 598.91 32.06 0 -3 20 542.89 24.26 0 3 20 550.54 17.13 0 -3 -21 257.53 13.72 0 -3 21 246.57 10.95 0 3 21 243.18 8.29 0 -3 -22 747.4 23.07 0 -3 22 714.44 20.99 0 3 22 687.52 18.75 0 -3 -23 92.76 11.78 0 -3 23 86.57 9.17 0 3 23 74.89 3.72 0 -3 -24 25.83 5.99 0 3 24 16.98 3.83 0 -3 24 20.65 4.07 0 -3 -25 184.49 13.7 0 3 25 163.77 8.89 0 -3 25 174.05 18.69 0 -3 -26 172.5 13.75 0 3 26 162.7 7.01 0 -3 26 179.23 13.15 0 -3 -27 39.32 26.38 0 3 27 21.72 5.8 0 -3 27 31.79 4.97 0 -3 -28 448.67 15.11 0 3 28 413.45 11.9 0 -3 28 433.79 15.02 0 -3 -29 106.56 14.83 0 -3 29 110.89 14.23 0 -3 -30 3.38 2.27 0 -3 30 5.6 3.87 0 -3 -31 59.81 8.04 0 -3 31 62.2 9.37 0 -3 -32 142.97 7.69 0 -3 32 146.63 18.51 0 -3 -33 11.32 4.81 0 -3 33 10.16 4.2 0 -3 -34 302.36 15.41 0 -3 34 300.79 15.14 0 -3 -35 134.93 11.57 0 -3 35 140.35 20.36 0 -3 -36 10.04 4.04 0 -3 36 12 4.48 0 -3 -37 26.61 7.34 0 -3 37 31.71 7.72 0 3 -37 36.58 9.35 0 -3 -38 45.22 8.69 0 -3 38 46.77 9.4 0 3 -38 58.32 11.2 0 -3 -39 5.46 3.58 0 -3 39 7.44 3.61 0 3 -39 6.51 7.67 0 -3 -40 2.55 2.38 0 -3 40 10.62 3.91 0 3 -40 9.94 5.28 0 -3 -41 -1.49 2.61 0 -3 41 0.42 1.74 0 3 -41 -1.51 4.29 0 -3 -42 50.92 9.58 0 -3 42 62.73 12.63 0 3 -42 71.67 10.54 0 -3 -43 4.14 3.41 0 -3 43 1.45 2.74 0 3 -43 2 2.82 0 -3 -43 13.14 4.55 0 3 -44 12.99 5.8 0 -3 -44 2.62 3.25 0 3 -45 29.29 7.92 0 -3 -45 50.26 9.36 0 3 -46 6.84 3.74 0 -3 -46 11.35 5.69 0 3 -47 1.17 3.01 0 -3 -47 -0.01 4.17 0 3 -48 -4.04 4.2 0 -3 -48 6.36 3.86 0 3 -49 31.8 7.79 0 -3 -49 40.96 6.55 0 3 -50 14.79 2.39 0 -3 -50 31.36 6.38 0 3 -51 9 3.76 0 -3 -51 8.19 3.38 0 -4 0 4326.27 37.69 0 -4 0 4351.09 38.34 0 -4 0 4360.7 37.93 0 -4 1 551.27 15.75 0 -4 -1 553.79 16.65 0 -4 1 549 18.12 0 -4 1 570.47 16.4 0 -4 -1 560.55 16.19 0 -4 2 117.34 8.69 0 -4 -2 111.49 8.34 0 -4 -2 120.72 5.8 0 -4 2 120.53 7.71 0 -4 2 112.85 8.23 0 -4 -2 118.86 4.93 0 4 -2 112.91 7.95 0 -4 -2 115.28 8.22 0 -4 3 1.07 0.95 0 -4 -3 -0.62 2.39 0 -4 -3 1.81 1.03 0 -4 3 2.61 2 0 -4 3 4.94 1.29 0 -4 -3 1.92 0.94 0 4 -3 1.08 0.39 0 -4 4 259.77 6.57 0 -4 -4 256.1 6.68 0 -4 4 268.54 7.07 0 -4 -4 254.85 6.72 0 4 -4 261.13 6.36 0 -4 5 1041.3 14.83 0 -4 -5 938.39 15.26 0 4 -5 904.39 12.87 0 -4 -5 997.34 14.65 0 -4 5 956.78 17.48 0 -4 5 1041.58 15.66 0 4 -5 1044.02 14.6 0 -4 6 138.65 5.34 0 -4 -6 108.9 13.83 0 4 -6 125.06 4.79 0 -4 6 130.2 6.46 0 4 6 117.42 4.62 0 4 -6 137.24 5.86 0 -4 7 640.55 12.93 0 -4 -7 524.24 15.89 0 4 -7 539.05 15.3 0 -4 7 579.91 12.62 0 4 7 519.42 14.67 0 4 -7 639.85 187.56 0 -4 8 1852.12 25.95 0 -4 -8 1608.19 23.86 0 4 -8 1614.99 22.38 0 -4 8 1656.34 25.27 0 4 8 1546.24 21.72 0 4 -8 1809.12 25.99 0 -4 9 134.4 5.12 0 -4 -9 112.59 5.81 0 4 -9 115.29 4.3 0 4 9 95.08 8.24 0 4 -9 130.59 5.38 0 -4 -10 1381.47 20.72 0 4 -10 1364.76 18.35 0 4 10 1325.64 18.28 0 -4 10 1366.59 20.64 0 -4 -11 26.45 5.48 0 4 11 21.99 3.72 0 -4 11 33.19 6.07 0 -4 -12 332.2 12.9 0 4 12 308.28 9.97 0 -4 12 333.71 11.68 0 -4 -13 59.46 5.85 0 4 13 46.93 3.91 0 -4 13 63.58 9.97 0 -4 -14 362.59 13.19 0 4 14 310.88 10 0 -4 14 339.8 12.02 0 4 15 198.6 8.73 0 -4 15 284.67 40.65 0 -4 -16 1463.69 22.47 0 4 16 1303.84 17.52 0 -4 16 1416.24 23.38 0 -4 -17 165.24 22.95 0 -4 17 138.36 18.46 0 -4 -18 480.71 16.84 0 -4 18 450 17.48 0 -4 -19 92.51 10.66 0 -4 19 85.64 11.39 0 -4 -20 61.99 9.77 0 -4 20 50.16 6.87 0 -4 -21 119.43 15.61 0 -4 21 110.38 8.02 0 -4 -22 22.22 6.84 0 -4 22 19.69 4.37 0 -4 -23 25.83 5.13 0 -4 23 27.99 6.35 0 -4 -24 3.12 2.27 0 -4 24 4.97 3.69 0 -4 -25 54.16 6.01 0 -4 25 48.19 6.63 0 -4 -26 271.61 15.17 0 -4 26 257.13 166.64 0 -4 -27 4.58 3.77 0 -4 27 1.57 1.82 0 -4 -28 138.77 102.78 0 -4 28 124.49 12.45 0 -4 -29 2.68 4.09 0 -4 29 4.78 2.78 0 -4 -30 166.04 18.12 0 -4 30 156.72 8.68 0 -4 -31 7.31 3.59 0 -4 31 8.99 4.06 0 -4 -32 41.87 7.15 0 -4 32 43.2 6.53 0 -4 -33 10.31 4.71 0 -4 33 6.23 3.95 0 4 -33 17.69 6.03 0 -4 -34 1.15 3.98 0 -4 34 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-6 6 442.18 17.11 -6 -6 6 567.38 22.41 6 -6 -5 901.82 25.15 -6 -6 5 857.4 24.12 -6 -6 5 1054.27 30.01 6 -6 -4 75.4 12.17 -6 -6 4 69.61 10.53 -6 -6 4 75.92 13.24 6 -6 -3 416.11 19.4 -6 -6 3 383.24 15.24 -6 -6 3 432.56 17.88 6 -6 -2 -1.37 3.13 -6 -6 2 6.01 2.52 -6 -6 2 6.54 4.11 6 -6 -1 167.74 10.12 -6 -6 1 168.51 9.8 -6 -6 1 178.47 11.22 6 -6 0 331.98 13.77 -6 -6 0 315.03 13.56 -6 -6 0 344.06 16.88 -6 6 0 365.88 15.8 6 -6 1 3.83 2.41 -6 -6 -1 4.18 2.59 -6 -6 -1 6.98 3.84 -6 6 -1 4.39 3.64 6 -6 2 575.51 21.93 -6 -6 -2 588.98 22.63 -6 6 -2 589.21 21.43 -6 -6 -2 594.03 23.31 -6 6 -2 631.95 24.75 6 -6 3 97.93 9.71 -6 -6 -3 128.71 11.96 -6 6 -3 108.68 6.56 -6 -6 -3 128.38 15.91 -6 -6 -3 117.63 7.44 -6 6 -3 121.24 13.51 6 -6 4 5.25 2.84 -6 -6 -4 5.99 3.92 -6 -6 -4 5.92 3.95 -6 -6 -4 5.7 3.08 -6 6 -4 1.38 1.32 -6 -6 -5 135.87 21.98 6 -6 5 110.77 7.29 -6 -6 -5 114.97 7.33 -6 -6 -5 107.91 11.59 -6 -6 -5 109.7 7.03 -6 6 -5 129.98 12.54 -6 -6 -6 174.82 14.53 6 -6 6 129.41 7.55 -6 -6 -6 158.32 8.37 -6 -6 -6 163.3 10 -6 6 -6 169.77 9.96 -6 -6 -6 168.24 9.04 -6 -6 -7 2005.2 54.36 6 -6 7 1746.65 45.4 -6 -6 -7 1850.2 47.86 -6 -6 -7 1938.14 52.95 -6 6 -7 1969.55 52.08 -6 -6 -7 1976.21 52.14 -6 -6 -8 420.47 22.33 6 -6 8 333.28 13.28 -6 -6 -8 374.63 14.45 -6 -6 -8 387.58 16.45 -6 6 -8 399.04 16.78 -6 -6 -8 430.89 17.04 -6 -6 -9 -0.88 4.05 6 -6 9 -1.21 1.3 -6 -6 -9 1.15 1.06 -6 -6 -9 3.04 3.11 -6 6 -9 7.25 3.16 -6 -6 -9 0.58 1.17 -6 -6 -10 57.79 8.52 6 -6 10 48.17 3.93 -6 -6 -10 42.94 2.77 -6 -6 -10 61.52 7.49 -6 6 -10 58.86 6.63 -6 -6 -10 56.39 7.18 -6 -6 -11 391.92 30.4 6 -6 11 341.47 10.67 -6 -6 -11 356.73 10.29 -6 6 -11 379.73 12.92 -6 -6 -11 392.41 12.7 -6 -6 -12 174.45 17.45 6 -6 12 150.74 4.51 -6 6 -12 160.52 15.3 -6 -6 -12 161.59 7.47 -6 -6 -13 188.79 21.99 6 -6 13 155.48 9.98 -6 6 -13 169.16 16.13 -6 -6 -13 167.01 8.19 -6 -6 -14 133.09 12.45 6 -6 14 112.51 3.08 -6 6 -14 135.74 11.18 -6 -6 -14 136.76 4.89 -6 -6 -15 49.89 6.42 6 -6 15 37.47 4.52 -6 6 -15 60.68 7.76 -6 -6 -15 48.57 7.04 -6 -6 -16 229.59 17.94 6 -6 16 217 7.45 -6 6 -16 223.42 18.14 -6 -6 -16 236.93 10.96 -6 -6 -17 187.84 16.16 -6 6 -17 233.01 25.15 -6 -6 -17 219.58 7.39 -6 -6 -18 223.21 17.88 -6 6 -18 253.56 22.1 -6 -6 -18 242.56 6.94 -6 -6 -19 31.03 5.82 -6 6 -19 35.17 4.99 -6 -6 -19 29.9 6.05 -6 -6 -20 5.76 3.41 -6 6 -20 3.44 2.7 -6 -6 -20 5.21 3.37 -6 -6 -21 6.72 4.23 -6 6 -21 0 3.83 -6 -6 -21 2.54 2.05 -6 -6 -22 7.52 3.87 -6 6 -22 9.1 4.17 -6 -6 -22 3.07 2.35 -6 -6 -23 191.83 21.95 -6 6 -23 169.89 19.76 -6 -6 -23 184.74 140.79 -6 -6 -24 8.5 4.2 -6 6 -24 9.52 4.3 -6 -6 -24 7.55 3.6 -6 -6 -25 147.65 14.93 -6 6 -25 123.18 13.17 -6 -6 -25 128.12 21.38 -6 -6 -26 -0.3 4.37 -6 6 -26 5.17 4.07 -6 -6 -26 -5.52 3.28 -6 -6 -27 12.58 4.31 -6 6 -27 11.87 4.09 -6 -6 -27 17.24 5.28 -6 -6 -28 16.68 5.13 -6 6 -28 14.31 4.92 -6 -6 -28 6.73 4.31 -6 -6 -29 14.2 5.98 -6 6 -29 19.34 7.01 -6 -6 -29 25.36 6.96 -6 -6 -30 -3.35 3.79 -6 6 -30 7.18 4.4 -6 -6 -30 7.74 3.45 -6 -6 -31 5.91 3.96 -6 6 -31 4.18 3.88 -6 -6 -31 4.19 3.6 -6 -6 -32 14.04 5.19 -6 6 -32 7.59 3.64 -6 -6 -32 4.93 3.75 -6 -6 -33 57.68 12.62 -6 6 -33 36.74 14.35 -6 -6 -33 51.82 10.41 -6 -6 -34 4.28 4.22 -6 6 -34 5.18 3.67 -6 -6 -34 8.59 4.37 -6 -6 -35 65.99 12.8 -6 6 -35 54.63 15.66 -6 -6 -35 76.23 13.85 -6 -6 -36 23.65 4.73 -6 6 -36 11.6 5.07 -6 -6 -36 24.11 5.71 -6 6 -37 4.25 6.53 -6 -6 -37 9.26 8.31 -6 6 -38 5.1 4.36 -6 -6 -38 5.49 4.32 -6 6 -39 14.87 5.07 -6 -6 -39 10.8 3.73 -6 6 -40 4.81 2.95 -6 -6 -40 2 2.25 -6 6 -41 26.31 6.39 -6 -6 -41 15.88 5.91 -6 6 -42 4.95 3.84 -6 -6 -42 3.96 2.84 -6 6 -43 20.09 6.83 -6 -6 -43 10.28 4.3 6 -7 -47 5.11 3.64 -6 -7 47 1.85 3.18 6 -7 -46 1.39 2.04 6 -7 -45 0.54 2.12 -6 -7 45 11.69 4.03 6 -7 -44 3.98 2.77 -6 -7 44 10.27 5.18 6 -7 -43 5.33 3.29 -6 -7 43 16.13 5.24 6 -7 -42 3.09 3.28 -6 -7 42 6.64 3.84 6 -7 -41 22.55 5.3 -6 -7 41 24.59 3.54 6 -7 -40 44.18 8.91 -6 -7 40 42.18 8 6 -7 -39 9.99 4.54 -6 -7 39 -0.73 4.3 6 -7 -38 20.66 9.94 -6 -7 38 31.56 9.47 6 -7 -37 12.28 3.98 -6 -7 37 -5.15 3.97 6 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18.45 6 -7 -13 127.94 17.13 -6 -7 13 95.86 3.96 -6 -7 13 141.08 18.04 6 -7 -12 687.54 18.8 -6 -7 12 667.72 17.66 -6 -7 12 783.47 20.59 6 -7 -11 25.58 4.97 -6 -7 11 19.39 5.6 -6 -7 11 21.79 7.41 6 -7 -10 183 10.23 -6 -7 10 177.4 10.11 -6 -7 10 215.98 12.93 6 -7 -9 30.57 5.96 -6 -7 9 31.62 5.28 -6 -7 9 40.72 26.83 6 -7 -8 -3.28 3.08 -6 -7 8 2.44 2.23 -6 -7 8 -1.74 3.54 6 -7 -7 117.18 12.67 -6 -7 7 90.41 7.36 -6 -7 7 116.76 21.15 6 -7 -6 193.89 10.01 -6 -7 6 177.58 10.39 -6 -7 6 217.91 23.44 6 -7 -5 63.05 9.81 -6 -7 5 60.79 8.77 -6 -7 5 72.46 8.93 6 -7 -4 794.78 20.06 -6 -7 4 798.02 20.92 -6 -7 4 884.05 23.29 6 -7 -3 66.18 11.69 -6 -7 3 61.71 11.09 -6 -7 3 74.6 10.6 6 -7 -2 639.86 17.48 -6 -7 2 634.98 16.07 -6 -7 2 688.66 20.49 6 -7 -1 0.84 1.72 -6 -7 1 2.23 2.91 -6 -7 1 -1.4 3.09 6 -7 0 58.39 8.68 -6 -7 0 44.96 6.62 -6 -7 0 45.5 6.39 6 -7 1 209.21 9.85 -6 -7 -1 239.21 8.8 -6 -7 -1 239.33 155.27 6 -7 2 110.03 71.3 -6 -7 -2 115.85 4.35 -6 -7 -2 142.34 14.88 -6 7 -2 125.55 5.05 6 -7 3 1.34 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25.35 8.27 -11 -8 8 19.32 6.55 -11 -8 8 44.71 8.2 11 -8 -7 87.18 18.34 -11 -8 7 74.58 14.43 -11 -8 7 123.57 14.67 11 -8 -6 11.33 3.33 -11 -8 6 17.09 6.02 -11 -8 6 16.87 6.21 11 -8 -5 5.77 3.44 -11 -8 5 -1.65 2.7 -11 -8 5 11.8 4.37 11 -8 -4 1.21 1.6 -11 -8 4 2.61 3.38 -11 -8 4 -3.06 4.74 11 -8 -3 153.84 15.33 -11 -8 3 153.31 14.74 -11 -8 3 189.35 27.78 11 -8 -2 -0.5 3.43 -11 -8 2 0.66 1.14 -11 -8 2 7.43 4.06 11 -8 -1 3.21 2.72 -11 -8 1 1.64 1.49 -11 -8 1 3.23 3.58 11 -8 0 143.05 17.48 -11 -8 0 135.48 4.5 -11 -8 0 161.93 14.29 11 -8 1 2.82 2.43 -11 -8 -1 4.35 2.74 -11 -8 -1 6.08 3.8 11 -8 2 24.44 6.87 -11 -8 -2 17.26 6.56 -11 -8 -2 36.18 8.96 11 -8 3 4.06 3.86 -11 -8 -3 2.9 4.06 11 -8 4 2.32 3.14 -11 -8 -4 4.3 4.02 11 -8 5 42.89 47.32 -11 -8 -5 50.59 10.34 11 -8 6 105.73 13.03 -11 -8 -6 127 17.46 11 -8 7 143.72 7.96 -11 -8 -7 180.57 27.58 -11 8 -7 176.47 18.22 11 -8 8 20.64 7.58 -11 -8 -8 33.78 5.55 -11 8 -8 28.96 7.34 11 -8 9 5.71 3.94 -11 -8 -9 10.37 4.45 -11 8 -9 10.89 5.66 -11 -8 -10 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