#------------------------------------------------------------------------------ #$Date: 2021-07-05 20:30:24 +0300 (Mon, 05 Jul 2021) $ #$Revision: 267148 $ #$URL: file:///home/coder/svn-repositories/cod/cif/7/70/71/7707192.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_7707192 loop_ _publ_author_name 'Yang, Can' 'Liu, Xian' 'Teng, Chunlin' 'Wu, Qi' 'Liang, Fei' _publ_section_title ; Syntheses, structure and properties of a new series of organic-inorganic Hg-based halides: adjusting halogens resulted in huge performance mutations. ; _journal_issue 22 _journal_name_full 'Dalton transactions (Cambridge, England : 2003)' _journal_page_first 7563 _journal_page_last 7570 _journal_paper_doi 10.1039/d1dt01085a _journal_volume 50 _journal_year 2021 _chemical_formula_moiety 'Br4.74 Cl1.26 Hg2, 2(C4 H12 N)' _chemical_formula_sum 'C8 H24 Br4.73 Cl1.26 Hg2 N2' _chemical_formula_weight 972.69 _space_group_crystal_system monoclinic _space_group_IT_number 4 _space_group_name_Hall 'P 2yb' _space_group_name_H-M_alt 'P 1 21 1' _atom_sites_solution_hydrogens geom _audit_creation_date 2021-01-03 _audit_creation_method ; Olex2 1.2-beta (compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506) ; _audit_update_record ; 2021-03-08 deposited with the CCDC. 2021-04-23 downloaded from the CCDC. ; _cell_angle_alpha 90 _cell_angle_beta 93.905(5) _cell_angle_gamma 90 _cell_formula_units_Z 2 _cell_length_a 7.6895(5) _cell_length_b 15.8557(7) _cell_length_c 8.9570(4) _cell_measurement_reflns_used 6784 _cell_measurement_temperature 293(2) _cell_measurement_theta_max 21.6130 _cell_measurement_theta_min 2.2620 _cell_volume 1089.52(10) _computing_molecular_graphics 'Olex2 (Dolomanov et al., 2009)' _computing_publication_material 'Olex2 (Dolomanov et al., 2009)' _computing_structure_refinement 'ShelXL (Sheldrick, 2015)' _computing_structure_solution 'SHELXT 2018/2 (Sheldrick, 2018)' _diffrn_ambient_temperature 293(2) _diffrn_measured_fraction_theta_full 0.989 _diffrn_measured_fraction_theta_max 0.989 _diffrn_measurement_device_type 'Bruker APEX-II CCD' _diffrn_measurement_method '\f and \w scans' _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0306 _diffrn_reflns_av_unetI/netI 0.0349 _diffrn_reflns_Laue_measured_fraction_full 0.989 _diffrn_reflns_Laue_measured_fraction_max 0.989 _diffrn_reflns_limit_h_max 9 _diffrn_reflns_limit_h_min -9 _diffrn_reflns_limit_k_max 18 _diffrn_reflns_limit_k_min -18 _diffrn_reflns_limit_l_max 10 _diffrn_reflns_limit_l_min -10 _diffrn_reflns_number 14430 _diffrn_reflns_point_group_measured_fraction_full 0.948 _diffrn_reflns_point_group_measured_fraction_max 0.948 _diffrn_reflns_theta_full 25.007 _diffrn_reflns_theta_max 25.007 _diffrn_reflns_theta_min 2.569 _diffrn_standards_number 0 _exptl_absorpt_coefficient_mu 22.901 _exptl_absorpt_correction_T_max 1.00000 _exptl_absorpt_correction_T_min 0.31380 _exptl_absorpt_correction_type multi-scan _exptl_crystal_colour 'clear whiteish white' _exptl_crystal_colour_lustre clear _exptl_crystal_colour_modifier whiteish _exptl_crystal_colour_primary white _exptl_crystal_density_diffrn 2.965 _exptl_crystal_description needle _exptl_crystal_F_000 866 _exptl_crystal_size_max 0.15 _exptl_crystal_size_mid 0.12 _exptl_crystal_size_min 0.10 _refine_diff_density_max 1.381 _refine_diff_density_min -3.679 _refine_diff_density_rms 0.314 _refine_ls_abs_structure_details ; Flack x determined using 1205 quotients [(I+)-(I-)]/[(I+)+(I-)] (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259). ; _refine_ls_abs_structure_Flack -0.066(10) _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.046 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 175 _refine_ls_number_reflns 3653 _refine_ls_number_restraints 122 _refine_ls_restrained_S_all 1.090 _refine_ls_R_factor_all 0.0759 _refine_ls_R_factor_gt 0.0659 _refine_ls_shift/su_max 0.000 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.1256P)^2^+8.9192P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.1797 _refine_ls_wR_factor_ref 0.1871 _reflns_Friedel_coverage 0.845 _reflns_Friedel_fraction_full 0.904 _reflns_Friedel_fraction_max 0.904 _reflns_number_gt 3160 _reflns_number_total 3653 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file d1dt01085a2.cif _cod_data_source_block 20200908-2 _cod_depositor_comments 'Adding full bibliography for 7707190--7707192.cif.' _cod_database_code 7707192 _shelx_shelxl_version_number 2018/3 _shelx_space_group_comment ; The symmetry employed for this shelxl refinement is uniquely defined by the following loop, which should always be used as a source of symmetry information in preference to the above space-group names. They are only intended as comments. ; _olex2_refinement_description ; 1. Fixed Uiso At 1.5 times of: All C(H,H,H) groups 2. Restrained distances N2-C2 = N2-C6 1.45 with sigma of 0.02 N2-C5 = N2-C1 1.45 with sigma of 0.02 C2-C6 = C2-C5 = C2-C1 = C6-C5 = C6-C1 = C5-C1 2.42 with sigma of 0.02 N1-C8 1.5 with sigma of 0.001 Hg2-Cl5A 2.2 with sigma of 0.02 Hg1-Cl1A 2.2 with sigma of 0.02 Hg2-Cl4A 2.2 with sigma of 0.02 3. Rigid bond restraints All non-hydrogen atoms with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001 4. Uiso/Uaniso restraints and constraints Uanis(C6) \\sim Ueq, Uanis(C3) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.01 Uanis(N2) \\sim Ueq, Uanis(C4) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.001 Uanis(N1) \\sim Ueq, Uanis(C1) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.001 Uanis(C8) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.001 Uanis(C7) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.001 Uanis(C2) \\sim Ueq, Uanis(C5) \\sim Ueq, Uanis(C1) \\sim Ueq, Uanis(C6) \\sim Ueq, Uanis(C3) \\sim Ueq, Uanis(C8) \\sim Ueq, Uanis(C4) \\sim Ueq, Uanis(C7) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.001 Uanis(Br5) = Uanis(Cl5A) Uanis(Br1) = Uanis(Cl1A) Uanis(Br4) = Uanis(Cl4A) 5. Others Sof(Cl5A)=1-FVAR(1) Sof(Br5)=FVAR(1) Sof(Cl1A)=1-FVAR(2) Sof(Br1)=FVAR(2) Sof(Cl4A)=1-FVAR(3) Sof(Br4)=FVAR(3) 6.a Me refined with riding coordinates: C1(H1A,H1B,H1C), C2(H2A,H2B,H2C), C3(H3A,H3B,H3C), C4(H4A,H4B,H4C), C5(H5A, H5B,H5C), C6(H6A,H6B,H6C), C7(H7A,H7B,H7C), C8(H8A,H8B,H8C) ; _shelx_res_file ; TITL 20200908-2_a.res in P2(1) 20200908-2.res created by SHELXL-2018/3 at 11:32:00 on 03-Jan-2021 REM Old TITL 20200908-2_a.res in P2(1) REM SHELXT solution in P2(1): R1 0.123, Rweak 0.086, Alpha 0.001 REM 1.524 for 9 systematic absences, Orientation as input REM Flack x = 0.194 ( 0.007 ) from 1344 Parsons' quotients REM Formula found by SHELXT: Br2 N Br3 H5b CELL 0.71073 7.6895 15.8557 8.957 90 93.905 90 ZERR 2 0.0005 0.0007 0.0004 0 0.005 0 LATT -1 SYMM -X,0.5+Y,-Z SFAC C H Br Cl Hg N UNIT 16 48 9.47 2.53 4 4 DFIX 1.45 N2 C2 N2 C6 DFIX 1.45 N2 C5 N2 C1 DFIX 2.42 C2 C6 C2 C5 C2 C1 C6 C5 C6 C1 C5 C1 DFIX 1.5 0.001 N1 C8 DFIX 2.2 Hg2 Cl5A DFIX 2.2 Hg1 Cl1A DFIX 2.2 Hg2 Cl4A DELU 0.001 0.001 ISOR 0.01 0.01 C6 C3 ISOR 0.001 0.001 N2 C4 ISOR 0.001 0.001 N1 C1 ISOR 0.001 0.001 C8 ISOR 0.001 0.001 C7 ISOR 0.001 0.001 C2 C5 C1 C6 C3 C8 C4 C7 EADP Br5 Cl5A EADP Br1 Cl1A EADP Br4 Cl4A L.S. 20 PLAN 2 CONF BOND LIST 6 MORE -1 BOND $H fmap 2 acta OMIT -3 50.02 OMIT 0 3 2 OMIT -1 -4 1 OMIT 1 0 2 OMIT 2 5 3 OMIT -2 1 2 OMIT -2 -1 2 OMIT 1 -2 2 OMIT 1 2 2 OMIT 0 6 0 OMIT 1 -1 0 OMIT 0 -6 0 OMIT 4 0 1 OMIT 1 1 0 OMIT 0 -3 2 OMIT 0 -4 0 OMIT 0 4 0 OMIT -1 -4 2 OMIT -1 4 1 OMIT 3 0 4 OMIT -2 0 1 OMIT -1 4 2 OMIT -3 -6 1 OMIT 0 -6 1 OMIT -1 -2 2 OMIT -2 0 2 OMIT -3 6 1 OMIT -8 4 2 OMIT -3 0 3 OMIT 1 1 1 OMIT 0 5 1 OMIT 0 0 1 OMIT 2 -6 1 OMIT 1 -1 1 OMIT -2 0 3 OMIT -1 3 1 REM REM REM WGHT 0.125600 8.919200 FVAR 0.31389 0.48281 0.59478 0.65884 HG1 5 0.465077 0.367619 0.830317 11.00000 0.06812 0.06031 = 0.05532 -0.00577 0.01330 -0.01133 HG2 5 -0.046722 0.321651 0.714788 11.00000 0.06626 0.06189 = 0.05780 -0.00780 0.01247 -0.01154 BR6 3 0.566262 0.408885 0.582983 11.00000 0.11150 0.09453 = 0.06842 -0.00021 0.03288 -0.00137 BR3 3 0.077354 0.465474 0.736592 11.00000 0.10494 0.07467 = 0.09862 0.00116 0.00469 -0.02508 PART 1 BR4 3 -0.220323 0.261871 0.920704 41.00000 0.08296 0.07958 = 0.07498 0.01853 0.02532 0.00433 PART 0 BR2 3 0.277522 0.239621 0.846337 11.00000 0.06725 0.09005 = 0.12591 0.01858 -0.00897 -0.02505 PART 1 BR1 3 0.499998 0.464042 1.052182 31.00000 0.07360 0.09465 = 0.06915 -0.02792 0.00125 0.01892 BR5 3 -0.040641 0.234723 0.478145 21.00000 0.07737 0.10231 = 0.07692 -0.03293 0.01862 0.01681 PART 0 N2 6 -0.442927 0.673097 0.692146 11.00000 0.07053 0.07061 = 0.07042 -0.00003 0.00492 0.00004 C1 1 -0.439534 0.763124 0.722234 11.00000 0.07124 0.07080 = 0.07119 -0.00015 0.00474 0.00003 AFIX 33 H1A 2 -0.340258 0.787902 0.679735 11.00000 -1.50000 H1B 2 -0.544221 0.788574 0.678457 11.00000 -1.50000 H1C 2 -0.431881 0.772393 0.828393 11.00000 -1.50000 AFIX 0 C2 1 -0.282827 0.631727 0.757917 11.00000 0.07083 0.07096 = 0.07078 0.00004 0.00474 0.00011 AFIX 33 H2A 2 -0.287945 0.572400 0.736671 11.00000 -1.50000 H2B 2 -0.182786 0.655750 0.715424 11.00000 -1.50000 H2C 2 -0.273988 0.640219 0.864283 11.00000 -1.50000 AFIX 0 C3 1 0.870800 0.515781 0.332616 11.00000 0.08855 0.08865 = 0.08844 -0.00003 0.00613 0.00008 AFIX 33 H3A 2 0.858372 0.474249 0.409147 11.00000 -1.50000 H3B 2 0.888863 0.570222 0.377949 11.00000 -1.50000 H3C 2 0.767031 0.516934 0.266683 11.00000 -1.50000 AFIX 0 C4 1 1.201039 0.536836 0.319082 11.00000 0.08869 0.08907 = 0.08892 -0.00018 0.00587 -0.00019 AFIX 33 H4A 2 1.295824 0.521364 0.260231 11.00000 -1.50000 H4B 2 1.189042 0.597099 0.319518 11.00000 -1.50000 H4C 2 1.224157 0.517039 0.419767 11.00000 -1.50000 AFIX 0 C5 1 -0.594647 0.633241 0.756392 11.00000 0.07087 0.07099 = 0.07096 0.00017 0.00514 0.00007 AFIX 33 H5A 2 -0.594730 0.573863 0.735435 11.00000 -1.50000 H5B 2 -0.587725 0.641891 0.862710 11.00000 -1.50000 H5C 2 -0.700065 0.658072 0.712774 11.00000 -1.50000 AFIX 0 C6 1 -0.453983 0.659762 0.527899 11.00000 0.07079 0.07093 = 0.07059 0.00004 0.00481 0.00008 AFIX 33 H6A 2 -0.456298 0.600386 0.506888 11.00000 -1.50000 H6B 2 -0.558410 0.685509 0.484239 11.00000 -1.50000 H6C 2 -0.354398 0.684760 0.486245 11.00000 -1.50000 AFIX 0 N1 6 1.020773 0.494291 0.247135 11.00000 0.08821 0.08829 = 0.08803 0.00010 0.00592 0.00005 C7 1 1.016965 0.410799 0.159676 11.00000 0.08869 0.08858 = 0.08872 -0.00015 0.00622 0.00001 AFIX 33 H7A 2 1.122691 0.405043 0.109435 11.00000 -1.50000 H7B 2 1.006799 0.364572 0.227748 11.00000 -1.50000 H7C 2 0.919027 0.410650 0.087235 11.00000 -1.50000 AFIX 0 C8 1 1.030496 0.561927 0.130911 11.00000 0.08900 0.08875 = 0.08874 0.00041 0.00619 0.00001 AFIX 33 H8A 2 1.127106 0.550932 0.071279 11.00000 -1.50000 H8B 2 0.924386 0.562424 0.067902 11.00000 -1.50000 H8C 2 1.046219 0.615712 0.179168 11.00000 -1.50000 AFIX 0 PART 2 CL5A 4 -0.057792 0.251337 0.498110 -21.00000 0.07737 0.10231 = 0.07692 -0.03293 0.01862 0.01681 CL1A 4 0.522903 0.450501 1.028492 -31.00000 0.07360 0.09465 = 0.06915 -0.02792 0.00125 0.01892 CL4A 4 -0.238681 0.255772 0.858221 -41.00000 0.08296 0.07958 = 0.07498 0.01853 0.02532 0.00433 HKLF 4 REM 20200908-2_a.res in P2(1) REM wR2 = 0.1871, GooF = S = 1.046, Restrained GooF = 1.090 for all data REM R1 = 0.0659 for 3160 Fo > 4sig(Fo) and 0.0759 for all 3653 data REM 175 parameters refined using 122 restraints END WGHT 0.1256 8.9283 REM Highest difference peak 1.381, deepest hole -3.679, 1-sigma level 0.314 Q1 1 1.1812 0.4746 0.3430 11.00000 0.05 1.38 Q2 1 0.5830 0.3646 0.8275 11.00000 0.05 0.99 ; _shelx_res_checksum 17109 _shelx_hkl_file ; 0 -22 0 64.78 15.67 0 -22 1 13.81 14.81 0 -22 -1 17.67 15.60 0 -22 -2 25.82 15.60 0 -21 0 1.54 13.74 0 -21 1 41.85 14.92 0 -21 -1 35.95 15.02 0 -21 2 17.74 14.63 0 -21 -2 -6.76 15.09 0 -21 -3 -24.82 16.45 0 -20 0 101.83 15.24 0 -20 -1 16.60 13.56 0 -20 1 13.20 12.77 0 -20 2 26.18 13.16 0 -20 -2 32.05 14.67 0 -20 -3 14.02 15.45 0 -19 0 9.01 13.06 0 -19 -1 70.68 14.06 0 -19 1 68.10 13.81 0 -19 -2 -4.54 13.38 0 -19 2 6.19 11.80 0 -19 -3 25.86 15.13 0 -18 0 83.45 13.41 0 -18 -1 8.01 11.66 0 -18 2 42.42 11.84 0 -18 -2 25.61 12.98 0 -18 3 40.63 11.98 0 -18 -3 26.04 13.91 0 -17 0 1.82 10.41 0 -17 -1 60.27 12.02 0 -17 1 78.30 12.34 0 -17 2 64.31 12.05 0 -17 -2 69.53 13.56 0 -17 -3 2.97 12.73 0 -17 3 22.36 10.34 0 -16 0 88.71 12.13 0 -16 1 20.03 10.16 0 -16 -1 15.13 10.95 0 -16 -2 70.50 12.98 0 -16 2 78.08 11.70 0 -16 3 169.94 13.63 0 -16 -3 121.22 15.52 0 -16 4 28.65 10.55 0 -15 0 5.19 8.91 0 -15 -1 106.41 12.20 0 -15 1 93.64 11.48 0 -15 2 197.84 13.63 0 -15 -2 150.30 14.20 0 -15 -3 46.39 12.48 0 -15 3 65.81 10.59 0 -15 4 119.68 12.52 0 -14 0 209.68 13.88 0 -14 -1 76.01 10.77 0 -14 1 52.51 9.51 0 -14 2 88.99 10.59 0 -14 -2 86.20 11.62 0 -14 3 306.47 16.56 0 -14 -3 306.97 18.39 0 -14 4 121.83 11.91 0 -13 0 -8.73 8.58 0 -13 1 145.58 11.41 0 -13 -1 151.16 11.91 0 -13 2 211.18 13.34 0 -13 -2 235.25 14.70 0 -13 -3 238.79 16.17 0 -13 3 236.54 14.49 0 -13 -10 39.20 18.31 0 -12 0 102.48 9.69 0 -12 -1 327.00 16.20 0 -12 1 302.10 15.49 0 -12 -2 66.78 9.73 0 -12 2 71.86 9.09 0 -12 3 228.42 13.63 0 -12 -3 236.07 15.27 0 -12 -10 -8.08 17.13 0 -11 0 -2.07 6.90 0 -11 1 1.54 7.37 0 -11 -1 8.44 7.08 0 -11 1 0.68 6.55 0 -11 2 630.31 25.25 0 -11 -2 652.20 26.22 0 -11 -3 49.47 9.76 0 -11 4 431.30 18.42 0 -11 5 182.35 11.62 0 -11 6 90.21 10.12 0 -11 7 11.73 9.30 0 -11 8 20.28 10.84 0 -11 9 9.12 11.80 0 -11 -9 62.74 16.88 0 -11 10 24.89 13.74 0 -11 -10 27.90 17.74 0 -10 0 428.69 17.60 0 -10 0 408.12 16.24 0 -10 0 401.07 16.74 0 -10 0 405.54 16.24 0 -10 -1 769.13 28.01 0 -10 1 798.82 29.80 0 -10 1 776.32 28.94 0 -10 1 793.13 28.01 0 -10 -1 738.48 29.26 0 -10 -2 38.27 7.65 0 -10 -2 47.39 5.83 0 -10 2 33.59 7.12 0 -10 -3 629.96 25.07 0 -10 3 555.66 22.36 0 -10 4 138.75 9.41 0 -10 5 209.82 12.66 0 -10 6 144.61 11.20 0 -10 7 48.43 9.98 0 -10 8 22.07 10.34 0 -10 -9 32.16 16.31 0 -10 9 2.40 11.59 0 -10 -10 26.00 17.20 0 -10 10 26.79 13.41 0 -10 11 -1.47 13.77 0 -9 0 5.51 3.54 0 -9 0 7.80 4.36 0 -9 0 1.65 5.44 0 -9 0 3.43 3.83 0 -9 0 3.79 4.97 0 -9 0 5.11 5.08 0 -9 1 449.47 17.56 0 -9 1 475.01 18.60 0 -9 1 465.92 17.46 0 -9 -1 477.47 17.85 0 -9 -1 450.43 17.35 0 -9 1 469.43 18.13 0 -9 -1 455.76 17.67 0 -9 -1 455.58 18.92 0 -9 2 1692.14 55.51 0 -9 -2 1614.88 55.33 0 -9 -2 1637.52 56.80 0 -9 -2 1676.08 55.87 0 -9 2 1521.77 54.98 0 -9 -3 527.87 22.71 0 -9 3 528.66 20.32 0 -9 4 572.15 22.39 0 -9 5 622.98 24.68 0 -9 6 169.04 11.91 0 -9 7 53.26 10.05 0 -9 7 70.46 10.48 0 -9 8 15.42 10.37 0 -9 8 29.94 10.41 0 -9 9 10.87 10.48 0 -9 9 4.18 11.62 0 -9 -9 4.22 15.70 0 -9 10 19.42 12.98 0 -9 -10 30.30 18.17 0 -9 11 23.61 14.34 0 -8 0 942.61 32.91 0 -8 0 1000.66 33.37 0 -8 0 927.01 32.41 0 -8 0 926.73 32.80 0 -8 0 913.46 33.09 0 -8 0 919.36 32.12 0 -8 0 897.93 32.87 0 -8 0 912.13 32.41 0 -8 1 607.39 22.43 0 -8 1 584.03 22.57 0 -8 1 625.13 22.32 0 -8 -1 593.51 22.89 0 -8 1 607.82 21.78 0 -8 -1 595.55 21.68 0 -8 1 615.18 22.14 0 -8 -1 598.87 22.25 0 -8 -1 607.89 22.03 0 -8 -1 602.70 22.39 0 -8 2 462.63 18.21 0 -8 2 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6981.88 230.14 0 3 -1 7231.58 230.60 0 3 1 7135.83 230.35 0 3 1 6923.98 230.24 0 3 1 7061.61 230.28 0 3 1 6986.96 230.24 0 3 -1 7088.47 230.49 0 3 2 317.98 12.13 0 3 -2 295.06 11.80 0 3 -2 331.65 11.70 0 3 -2 325.39 12.63 0 3 -2 312.08 11.88 0 3 -2 326.21 12.77 0 3 2 300.17 12.63 0 3 -2 325.21 11.23 0 3 2 317.23 12.45 0 3 -2 313.08 11.23 0 3 2 289.30 11.98 0 3 2 329.64 12.38 0 3 -2 314.41 10.87 0 3 2 319.52 11.88 0 3 3 291.08 11.30 0 3 -3 272.27 9.98 0 3 -3 274.63 10.69 0 3 -3 282.21 12.30 0 3 -3 293.66 10.05 0 3 -3 276.60 12.34 0 3 3 271.91 11.59 0 3 -3 289.37 11.34 0 3 -3 272.20 10.87 0 3 3 276.56 11.70 0 3 -3 285.54 11.12 0 3 3 284.07 11.91 0 3 -4 1251.76 43.21 0 3 -4 1344.33 44.85 0 3 4 1282.55 45.46 0 3 -4 1345.40 45.07 0 3 4 1256.19 44.89 0 3 -4 1354.23 46.18 0 3 -4 1354.34 44.25 0 3 -4 1280.26 43.64 0 3 -4 1305.66 45.96 0 3 4 1373.55 44.75 0 3 -4 1314.32 43.35 0 3 4 1404.20 45.68 0 3 -5 78.19 8.44 0 3 -5 64.71 7.90 0 3 5 77.73 7.73 0 3 -5 72.07 4.97 0 3 5 69.07 5.87 0 3 5 66.46 7.44 0 3 -6 196.15 12.73 0 3 6 182.46 12.27 0 3 -6 184.03 11.95 0 3 6 189.04 11.41 0 3 7 264.08 15.95 0 3 -7 269.16 15.88 0 3 -7 266.98 16.27 0 3 7 302.89 15.02 0 3 7 300.24 16.38 0 3 8 297.67 16.53 0 3 -8 320.20 17.71 0 3 -8 295.52 17.81 0 3 8 307.36 17.85 0 3 8 320.31 18.21 0 3 9 10.27 11.77 0 3 9 14.99 11.66 0 3 10 62.38 14.45 0 3 -10 61.84 13.77 0 3 10 70.18 13.95 0 3 -11 18.81 13.20 0 3 11 0.75 14.49 0 3 11 29.26 14.70 0 3 12 15.13 15.34 0 3 12 27.86 15.74 0 4 0 357.61 13.20 0 4 0 358.69 12.73 0 4 0 329.71 12.98 0 4 0 347.71 12.95 0 4 -1 6.97 3.68 0 4 -1 6.87 3.11 0 4 -1 13.06 2.86 0 4 1 14.81 3.79 0 4 -1 8.83 3.76 0 4 1 10.09 2.79 0 4 -1 14.95 2.29 0 4 1 5.26 3.18 0 4 -1 12.73 2.04 0 4 1 6.01 2.72 0 4 -1 8.55 3.93 0 4 1 9.94 2.97 0 4 1 15.52 3.54 0 4 -2 2570.94 66.96 0 4 -2 2658.43 68.25 0 4 2 2564.21 67.82 0 4 -2 2689.26 68.43 0 4 -2 2610.36 66.78 0 4 2 2668.87 67.50 0 4 2 2655.57 67.50 0 4 2 2538.17 67.57 0 4 2 2606.56 68.03 0 4 2 2571.90 67.85 0 4 -2 2610.10 66.42 0 4 -2 2529.84 67.60 0 4 2 2685.54 67.85 0 4 3 759.40 27.83 0 4 3 779.61 28.79 0 4 -3 752.32 26.83 0 4 -3 776.00 28.65 0 4 -3 782.58 28.69 0 4 -3 764.48 27.33 0 4 3 825.29 28.04 0 4 3 815.45 28.47 0 4 3 802.54 27.72 0 4 -3 764.05 26.25 0 4 -3 793.45 26.61 0 4 -3 803.68 27.54 0 4 -3 847.47 27.76 0 4 4 265.51 11.12 0 4 -4 237.75 10.52 0 4 -4 256.89 12.63 0 4 -4 241.55 10.37 0 4 4 247.16 11.62 0 4 -4 246.23 8.98 0 4 4 231.82 11.84 0 4 -4 241.37 10.73 0 4 -4 234.93 8.98 0 4 -4 230.24 12.27 0 4 -5 892.07 34.55 0 4 -5 941.04 32.26 0 4 5 941.79 34.09 0 4 5 947.97 34.02 0 4 5 877.69 32.87 0 4 -5 934.17 34.59 0 4 -6 287.11 15.13 0 4 6 264.65 14.59 0 4 -6 255.96 15.34 0 4 6 300.17 14.74 0 4 6 263.54 12.45 0 4 7 377.11 19.10 0 4 7 354.65 17.88 0 4 -7 325.35 18.46 0 4 -7 357.72 18.92 0 4 7 408.16 18.92 0 4 8 130.52 13.56 0 4 -8 125.44 13.38 0 4 8 131.84 13.09 0 4 8 133.27 12.09 0 4 -8 113.49 12.48 0 4 -9 63.10 13.02 0 4 9 103.12 13.77 0 4 -9 79.59 12.20 0 4 9 91.42 11.73 0 4 9 73.18 13.31 0 4 -10 2.83 12.88 0 4 10 18.03 13.38 0 4 10 21.32 13.52 0 4 11 18.06 14.95 0 4 11 9.51 13.95 0 4 -11 7.62 13.81 0 4 12 7.30 16.20 0 4 12 26.22 16.20 0 5 0 -0.14 3.22 0 5 0 3.61 4.04 0 5 0 0.36 3.65 0 5 0 2.47 2.93 0 5 -1 791.84 28.29 0 5 -1 792.02 26.65 0 5 1 787.55 27.61 0 5 1 780.65 27.15 0 5 -1 806.26 27.79 0 5 -1 786.05 27.33 0 5 -1 773.60 26.68 0 5 1 743.74 27.51 0 5 1 786.44 27.83 0 5 -1 779.22 27.76 0 5 1 784.48 27.22 0 5 1 799.82 27.33 0 5 -2 423.68 6.69 0 5 2 414.13 8.08 0 5 2 408.55 9.12 0 5 2 395.64 7.83 0 5 2 409.84 9.01 0 5 -2 410.12 7.05 0 5 -2 421.07 9.48 0 5 2 409.94 7.90 0 5 -2 411.05 8.69 0 5 -2 409.09 9.62 0 5 2 424.18 8.26 0 5 2 423.18 8.55 0 5 -2 427.40 5.72 0 5 3 898.72 31.26 0 5 -3 862.20 29.51 0 5 -3 881.59 30.47 0 5 3 838.70 30.73 0 5 -3 864.56 28.97 0 5 -3 864.06 31.69 0 5 3 841.03 31.40 0 5 3 873.97 30.80 0 5 -3 847.54 29.62 0 5 3 931.88 30.90 0 5 -3 861.81 30.12 0 5 3 834.41 30.94 0 5 -3 888.28 31.73 0 5 -3 871.93 30.69 0 5 4 1559.87 53.12 0 5 -4 1530.43 51.44 0 5 -4 1526.35 54.26 0 5 -4 1513.05 52.54 0 5 -4 1583.87 52.76 0 5 4 1533.29 53.30 0 5 -4 1506.68 51.94 0 5 -4 1588.34 54.40 0 5 4 1645.25 54.33 0 5 4 1529.07 53.19 0 5 4 1544.31 53.87 0 5 5 350.82 15.17 0 5 -5 350.32 16.85 0 5 5 359.90 15.92 0 5 -5 350.17 14.24 0 5 -5 323.85 16.70 0 5 5 343.52 16.27 0 5 6 307.72 16.17 0 5 6 362.23 16.99 0 5 -6 336.62 17.56 0 5 -6 330.68 17.42 0 5 6 321.95 14.81 0 5 7 404.97 19.64 0 5 -7 431.01 20.96 0 5 7 406.55 19.99 0 5 -7 390.70 20.21 0 5 -8 123.97 13.66 0 5 8 153.63 13.02 0 5 -8 127.09 13.63 0 5 8 150.91 13.48 0 5 8 160.39 14.67 0 5 9 3.65 11.66 0 5 -9 2.04 11.91 0 5 -9 4.29 11.20 0 5 9 9.51 10.98 0 5 9 10.23 12.41 0 5 -10 49.61 14.59 0 5 10 39.49 13.27 0 5 10 52.11 14.59 0 5 11 48.39 14.95 0 5 -11 19.06 14.56 0 5 11 45.28 15.02 0 5 12 30.83 15.63 0 5 -12 13.99 15.02 0 5 12 53.83 16.88 0 6 0 269.34 11.73 0 6 0 252.38 10.41 0 6 0 264.79 10.80 0 6 0 270.80 11.16 0 6 0 286.43 11.70 0 6 1 55.26 4.36 0 6 1 54.30 4.51 0 6 -1 60.16 3.93 0 6 -1 53.30 6.22 0 6 1 44.03 4.86 0 6 -1 51.29 4.94 0 6 -1 43.07 5.40 0 6 1 56.55 4.86 0 6 1 48.82 5.15 0 6 1 51.83 5.54 0 6 1 35.20 5.22 0 6 1 51.83 4.65 0 6 -1 50.97 3.54 0 6 -1 54.73 5.83 0 6 -2 2022.61 66.74 0 6 -2 1999.82 64.78 0 6 -2 2007.44 65.56 0 6 -2 2056.12 65.17 0 6 -2 2037.59 66.57 0 6 -2 2022.71 66.35 0 6 2 2023.61 65.78 0 6 2 2076.29 66.06 0 6 2 2080.66 65.92 0 6 2 1982.72 66.53 0 6 2 2055.41 66.03 0 6 2 2044.71 66.60 0 6 -3 3066.12 100.04 0 6 3 3065.87 102.16 0 6 3 3159.55 101.48 0 6 -3 3113.91 102.44 0 6 3 3158.26 101.73 0 6 3 3159.76 101.44 0 6 3 3197.89 101.98 0 6 -3 3101.31 99.94 0 6 3 3124.49 101.83 0 6 -3 3092.91 102.44 0 6 -3 3112.98 100.51 0 6 -3 3141.05 100.69 0 6 -3 3146.28 101.58 0 6 4 1260.27 47.11 0 6 4 1297.40 46.43 0 6 4 1349.91 46.75 0 6 -4 1291.78 46.18 0 6 4 1328.41 46.57 0 6 -4 1359.38 47.75 0 6 -4 1384.03 47.82 0 6 4 1382.13 47.00 0 6 5 723.06 28.40 0 6 -5 666.33 28.61 0 6 5 727.82 27.65 0 6 5 771.67 27.65 0 6 -5 710.58 26.72 0 6 -5 711.26 29.08 0 6 6 797.75 31.08 0 6 6 791.63 31.44 0 6 6 766.06 30.01 0 6 -6 813.52 32.48 0 6 -6 824.50 32.33 0 6 -7 133.31 13.38 0 6 7 158.13 13.13 0 6 7 171.01 12.55 0 6 8 36.31 10.69 0 6 8 51.65 12.16 0 6 -8 37.91 12.09 0 6 8 60.88 11.77 0 6 -8 47.39 11.73 0 6 -9 69.82 13.99 0 6 9 41.53 12.23 0 6 9 37.56 13.31 0 6 -9 45.35 12.81 0 6 9 56.44 12.73 0 6 -10 6.94 12.66 0 6 10 7.23 14.09 0 6 10 -7.40 13.27 0 6 -10 17.03 13.63 0 6 11 37.66 15.38 0 6 -11 20.46 14.63 0 6 11 19.10 14.38 0 6 12 19.35 16.13 0 6 12 40.06 16.02 0 6 -12 38.45 16.17 0 7 0 0.43 4.29 0 7 0 -0.72 2.97 0 7 0 -3.93 4.83 0 7 0 4.04 4.04 0 7 0 3.22 4.76 0 7 -1 1075.49 39.35 0 7 -1 1067.58 37.27 0 7 -1 1127.21 38.92 0 7 1 1114.98 38.31 0 7 1 1106.00 38.88 0 7 1 1098.95 38.09 0 7 1 1093.66 37.95 0 7 1 1114.01 38.63 0 7 1 1108.11 39.02 0 7 1 1041.01 38.49 0 7 -1 1067.01 38.45 0 7 1 1122.38 38.56 0 7 -1 1166.95 37.81 0 7 -1 1152.11 39.10 0 7 -2 2213.22 72.36 0 7 2 2124.73 73.33 0 7 -2 2115.10 73.47 0 7 -2 2176.05 74.11 0 7 -2 2188.04 71.50 0 7 -2 2154.06 73.22 0 7 2 2156.49 72.61 0 7 -2 2107.52 72.40 0 7 2 2072.29 73.33 0 7 2 2152.80 72.43 0 7 -2 2136.89 71.68 0 7 2 2139.82 72.93 0 7 2 2211.57 72.75 0 7 -3 1972.35 65.71 0 7 -3 1937.44 66.92 0 7 3 2055.16 66.78 0 7 3 1963.05 66.46 0 7 3 1953.75 66.89 0 7 -3 1952.57 67.64 0 7 -3 1943.88 64.92 0 7 3 2000.04 67.35 0 7 3 1968.24 67.50 0 7 -3 1918.84 65.78 0 7 -3 1918.95 67.67 0 7 3 1924.46 66.57 0 7 4 1045.41 39.10 0 7 4 1092.05 38.67 0 7 4 1051.38 38.17 0 7 -4 1077.71 38.09 0 7 -4 1051.81 39.52 0 7 -4 1053.78 39.45 0 7 5 778.25 28.94 0 7 5 760.15 29.08 0 7 -5 749.57 30.37 0 7 -5 710.19 30.08 0 7 -5 760.76 28.11 0 7 5 722.38 29.72 0 7 6 513.10 21.57 0 7 6 452.15 22.21 0 7 -6 476.26 23.00 0 7 6 498.69 21.18 0 7 -6 503.80 23.50 0 7 7 261.90 15.99 0 7 -7 210.25 16.42 0 7 7 267.80 15.13 0 7 -7 213.65 15.67 0 7 8 71.54 13.34 0 7 8 65.42 12.05 0 7 -8 62.74 12.38 0 7 -8 72.90 13.45 0 7 8 61.95 12.13 0 7 9 -8.66 12.27 0 7 -9 3.43 12.27 0 7 -9 23.11 13.48 0 7 9 -3.40 12.91 0 7 9 0.64 11.55 0 7 10 33.16 13.56 0 7 -10 34.23 13.23 0 7 10 34.27 13.74 0 7 -10 46.32 14.99 0 7 10 42.14 14.81 0 7 -11 43.96 16.06 0 7 11 26.43 15.60 0 7 11 36.63 14.34 0 7 -12 3.54 15.52 0 8 0 1101.49 38.84 0 8 0 1155.61 39.63 0 8 0 1116.55 38.92 0 8 0 1070.37 38.17 0 8 0 1109.97 38.52 0 8 0 1092.27 39.27 0 8 1 512.10 21.32 0 8 -1 530.23 19.17 0 8 1 525.33 20.39 0 8 1 490.28 20.60 0 8 -1 515.82 21.43 0 8 1 562.03 20.96 0 8 1 556.56 20.07 0 8 -1 556.92 19.82 0 8 -1 534.78 20.82 0 8 1 564.07 20.82 0 8 1 586.00 21.50 0 8 -1 538.53 21.46 0 8 -1 553.02 21.32 0 8 -2 562.53 21.14 0 8 -2 499.47 19.85 0 8 -2 506.23 21.75 0 8 2 501.73 19.64 0 8 -2 531.91 18.71 0 8 2 537.82 20.39 0 8 -2 499.87 18.78 0 8 2 529.63 19.99 0 8 2 524.05 20.03 0 8 2 529.91 21.25 0 8 2 502.51 20.60 0 8 2 514.71 20.82 0 8 -2 499.15 21.03 0 8 3 2157.45 71.32 0 8 3 2178.38 71.50 0 8 -3 2122.47 72.72 0 8 3 2117.25 72.32 0 8 -3 2097.61 72.47 0 8 -3 2034.12 70.71 0 8 3 2075.69 71.68 0 8 3 2067.57 72.36 0 8 -3 2167.36 72.07 0 8 -3 2022.07 70.29 0 8 4 653.64 25.47 0 8 -4 614.97 26.22 0 8 -4 625.27 24.75 0 8 -4 651.24 26.18 0 8 4 621.66 25.72 0 8 4 622.34 24.43 0 8 -5 474.68 20.60 0 8 5 474.76 22.39 0 8 5 532.95 21.28 0 8 -5 488.38 23.11 0 8 5 504.05 21.85 0 8 -5 539.60 23.29 0 8 6 415.63 19.06 0 8 6 456.05 19.53 0 8 -6 370.78 20.64 0 8 -6 419.89 21.21 0 8 6 381.97 20.35 0 8 7 71.07 10.23 0 8 -7 47.50 11.41 0 8 -7 50.61 12.48 0 8 7 68.03 11.70 0 8 8 -8.19 12.23 0 8 8 0.54 10.44 0 8 -8 22.82 12.23 0 8 -8 2.83 12.70 0 8 8 22.46 11.48 0 8 9 63.38 13.48 0 8 -9 66.71 14.52 0 8 -9 28.15 13.48 0 8 9 56.76 14.34 0 8 9 43.10 13.20 0 8 10 10.59 13.66 0 8 -10 23.14 15.49 0 8 10 38.70 15.60 0 8 -10 -7.65 13.77 0 8 -11 7.87 15.52 0 8 11 -4.08 15.77 0 9 0 9.12 5.40 0 9 0 4.90 6.33 0 9 0 -1.75 5.11 0 9 0 4.44 5.62 0 9 0 0.72 6.55 0 9 1 451.44 19.57 0 9 -1 453.65 16.85 0 9 1 466.46 17.78 0 9 -1 468.71 19.49 0 9 1 432.41 19.28 0 9 1 425.72 18.60 0 9 -1 474.40 17.78 0 9 -1 442.46 18.85 0 9 1 475.58 18.81 0 9 -1 484.13 19.24 0 9 1 487.67 18.60 0 9 2 1625.47 57.37 0 9 -2 1718.93 56.37 0 9 -2 1685.38 58.66 0 9 -2 1610.66 58.34 0 9 -2 1629.51 59.55 0 9 2 1707.56 58.37 0 9 2 1620.21 58.55 0 9 2 1750.80 57.98 0 9 2 1636.48 58.09 0 9 2 1649.04 57.19 0 9 -2 1673.43 57.52 0 9 -3 619.55 24.75 0 9 -3 622.52 26.33 0 9 3 637.15 24.18 0 9 3 636.86 25.22 0 9 3 617.12 25.18 0 9 -3 636.90 23.46 0 9 3 578.06 23.43 0 9 -3 581.88 25.29 0 9 -4 627.74 24.68 0 9 -4 594.76 25.65 0 9 4 595.76 25.25 0 9 4 599.95 25.65 0 9 -4 618.55 26.18 0 9 4 615.01 24.07 0 9 5 559.60 24.25 0 9 -5 552.30 23.11 0 9 5 586.03 25.11 0 9 -5 519.07 24.89 0 9 5 566.86 23.11 0 9 -5 559.81 25.29 0 9 6 247.30 14.27 0 9 6 239.94 16.17 0 9 6 244.41 14.77 0 9 -6 240.11 16.53 0 9 -6 215.65 16.20 0 9 -7 50.86 13.06 0 9 7 50.93 11.95 0 9 7 72.57 10.48 0 9 -7 38.63 12.05 0 9 -8 32.62 13.06 0 9 -8 44.89 13.88 0 9 8 25.04 12.77 0 9 -9 -5.62 14.06 0 9 9 9.34 13.81 0 9 9 -1.39 12.55 0 9 -9 0.75 13.45 0 9 10 7.76 15.13 0 9 10 14.77 13.77 0 9 -10 16.78 14.09 0 9 -10 14.56 15.17 0 9 -11 24.47 17.03 0 9 11 20.85 16.35 0 9 -11 18.49 15.56 0 10 0 434.02 19.10 0 10 0 434.41 19.32 0 10 0 439.49 18.49 0 10 0 435.34 18.42 0 10 0 442.14 17.85 0 10 1 717.09 28.94 0 10 -1 795.21 29.37 0 10 1 694.27 28.04 0 10 -1 723.63 26.97 0 10 1 774.60 27.18 0 10 1 709.76 28.83 0 10 1 720.52 28.26 0 10 -1 746.24 28.47 0 10 -1 765.13 28.79 0 10 1 778.79 28.01 0 10 -2 41.53 8.76 0 10 2 39.42 7.98 0 10 2 41.53 8.73 0 10 -2 42.60 8.66 0 10 -2 45.68 6.76 0 10 2 30.44 7.73 0 10 -2 37.95 9.09 0 10 2 20.64 6.83 0 10 2 31.48 6.01 0 10 2 32.69 6.47 0 10 3 521.11 22.93 0 10 -3 552.41 22.75 0 10 -3 557.95 24.75 0 10 3 507.66 20.92 0 10 3 520.75 21.71 0 10 -3 546.26 21.03 0 10 -3 508.56 23.11 0 10 3 516.10 22.64 0 10 -4 152.80 11.37 0 10 -4 141.32 13.63 0 10 4 154.27 12.70 0 10 -4 127.87 12.70 0 10 4 150.73 12.09 0 10 -5 294.59 18.13 0 10 -5 304.68 15.85 0 10 5 296.27 16.92 0 10 -5 326.53 17.99 0 10 5 292.19 17.38 0 10 -6 117.25 13.66 0 10 6 124.98 13.13 0 10 6 137.82 12.66 0 10 -6 112.17 13.88 0 10 7 64.28 13.16 0 10 -7 49.07 13.56 0 10 7 52.76 10.84 0 10 -7 52.01 12.95 0 10 -8 -5.37 13.70 0 10 -8 3.00 12.91 0 10 8 8.80 12.81 0 10 9 2.18 13.31 0 10 9 8.08 14.41 0 10 -9 -3.18 13.45 0 10 -9 -5.83 14.34 0 10 10 3.11 14.92 0 10 -10 5.90 15.20 0 10 10 4.76 15.42 0 10 -10 4.44 16.24 0 10 11 9.76 15.34 0 10 -11 7.48 16.70 0 10 -11 12.38 16.24 0 10 11 28.87 16.78 0 11 0 5.04 6.33 0 11 0 5.72 7.65 0 11 0 12.30 9.12 0 11 0 3.33 6.87 0 11 0 5.29 6.69 0 11 1 9.05 7.55 0 11 -1 20.78 7.83 0 11 1 22.61 7.01 0 11 1 5.65 8.01 0 11 -1 2.47 7.76 0 11 1 10.77 7.87 0 11 -1 9.41 9.12 0 11 2 590.54 22.53 0 11 2 619.94 24.47 0 11 2 525.83 24.32 0 11 -2 560.42 24.47 0 11 -2 576.52 23.21 0 11 -2 519.18 24.89 0 11 -2 593.76 24.43 0 11 2 574.80 24.22 0 11 3 22.93 7.51 0 11 -3 31.26 9.01 0 11 -3 8.08 9.91 0 11 -3 40.53 7.44 0 11 3 25.72 9.34 0 11 3 29.33 9.66 0 11 -3 18.56 9.30 0 11 -4 437.45 22.00 0 11 -4 450.22 20.78 0 11 4 449.93 21.50 0 11 -4 435.80 23.03 0 11 4 437.74 21.14 0 11 -5 164.14 12.45 0 11 5 177.56 14.52 0 11 -5 141.75 14.34 0 11 5 135.60 13.23 0 11 -6 75.76 13.23 0 11 -6 65.38 13.27 0 11 6 72.29 12.34 0 11 6 81.05 11.98 0 11 -7 12.41 12.91 0 11 -7 21.96 12.52 0 11 7 24.57 11.16 0 11 7 19.10 12.09 0 11 -8 9.59 13.91 0 11 8 31.30 13.95 0 11 -8 23.71 14.41 0 11 -9 -0.86 15.24 0 11 -9 5.04 14.45 0 11 9 4.51 14.74 0 11 9 21.32 15.52 0 11 10 7.26 15.38 0 11 10 15.42 15.27 0 11 -10 41.85 16.85 0 11 11 10.98 15.99 0 11 -11 24.11 16.74 0 12 0 154.27 11.09 0 12 0 136.56 10.27 0 12 0 157.85 12.38 0 12 0 138.03 11.77 0 12 1 305.93 16.95 0 12 1 314.05 16.95 0 12 -1 317.48 17.38 0 12 -1 281.61 15.95 0 12 -1 308.36 16.42 0 12 1 309.04 15.70 0 12 -2 65.64 9.12 0 12 2 57.23 10.80 0 12 -2 60.95 10.09 0 12 2 52.51 9.98 0 12 -2 59.38 10.73 0 12 2 58.20 10.09 0 12 3 240.94 15.99 0 12 3 237.61 15.34 0 12 -3 247.38 16.02 0 12 -3 252.03 15.49 0 12 3 238.04 13.74 0 12 -4 125.98 12.27 0 12 -4 135.24 15.13 0 12 4 127.69 12.81 0 12 -4 134.92 13.74 0 12 4 133.49 13.16 0 12 5 207.24 15.67 0 12 -5 233.25 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84.16 -1 2 -3 2627.49 83.70 1 2 3 2585.32 84.41 -1 2 -3 2376.93 84.77 -1 2 -4 775.82 26.93 -1 2 -4 757.83 29.01 1 2 4 805.11 28.58 1 2 4 796.49 28.36 -1 2 -4 755.47 27.68 -1 2 -4 784.73 27.61 1 2 4 764.73 28.58 -1 2 -4 781.51 29.15 1 2 4 811.09 28.22 1 2 4 769.81 27.76 -1 2 -4 791.20 27.15 -1 2 -5 2289.87 78.76 1 2 5 2293.05 78.30 1 2 5 2329.86 78.08 1 2 5 2281.53 78.26 -1 2 -5 2303.78 79.05 1 2 5 2354.00 78.05 -1 2 -5 2245.16 76.65 1 2 5 2303.39 77.37 -1 2 -6 273.59 14.31 1 2 6 247.45 12.73 1 2 6 241.94 11.70 -1 2 -6 247.77 14.27 1 2 6 234.14 12.84 1 2 6 251.20 13.70 1 2 6 232.78 13.38 -1 2 -7 86.13 11.34 1 2 7 127.05 11.77 1 2 7 119.36 10.19 -1 2 -7 99.11 11.88 1 2 7 122.51 11.37 1 2 8 60.45 11.12 1 2 8 47.04 9.94 -1 2 -8 46.61 10.37 1 2 8 50.33 11.45 -1 2 -8 60.02 11.62 1 2 9 42.28 12.20 -1 2 -9 28.87 11.77 1 2 9 39.81 11.70 1 2 10 51.79 13.38 -1 2 -10 35.38 13.27 1 2 10 14.59 12.91 -1 2 -11 5.87 13.74 1 2 11 16.70 14.70 1 2 11 24.11 13.95 1 2 12 45.14 15.70 1 2 12 49.07 16.10 -1 3 12 32.23 16.13 -1 3 12 23.11 15.70 -1 3 11 37.70 15.17 -1 3 11 65.13 16.31 -1 3 10 10.16 12.88 1 3 -10 16.24 12.02 -1 3 10 13.38 13.38 -1 3 9 28.90 12.02 -1 3 9 36.34 12.30 1 3 -9 25.18 11.45 -1 3 9 8.66 13.20 -1 3 8 110.67 13.20 -1 3 8 142.39 11.41 1 3 -8 102.12 11.20 1 3 -8 114.35 12.34 -1 3 7 395.53 18.99 -1 3 7 351.07 17.17 1 3 -7 353.43 17.42 1 3 -7 360.40 18.31 -1 3 6 240.87 12.59 1 3 -6 214.61 13.23 1 3 -6 218.62 12.63 -1 3 6 207.10 13.27 -1 3 5 831.05 29.19 1 3 -5 786.77 30.58 1 3 -5 805.26 29.15 -1 3 5 843.89 30.58 -1 3 5 874.47 31.44 1 3 -5 823.57 31.12 -1 3 4 1686.85 28.11 1 3 -4 1648.75 27.08 -1 3 4 1697.47 29.04 -1 3 4 1728.66 32.16 -1 3 4 1715.07 31.30 1 3 -4 1720.65 29.01 -1 3 4 1645.43 29.40 -1 3 4 1739.96 32.05 1 3 -4 1701.08 31.44 1 3 -4 1717.21 31.94 1 3 -4 1741.32 28.22 1 3 -4 1735.63 29.80 -1 3 3 1380.52 48.47 -1 3 3 1408.21 46.53 1 3 -3 1377.34 48.29 -1 3 3 1458.54 48.61 -1 3 3 1406.64 48.25 1 3 -3 1379.74 47.14 1 3 -3 1468.62 47.50 -1 3 3 1394.87 46.93 1 3 -3 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2983.28 87.60 -1 3 -2 2869.03 88.17 1 3 2 3038.22 87.13 1 3 2 3026.45 87.81 -1 3 -2 3023.30 87.13 1 3 3 142.65 8.05 1 3 3 147.97 7.62 1 3 3 152.05 7.98 -1 3 -3 161.53 9.12 -1 3 -3 160.96 7.15 1 3 3 156.49 7.44 -1 3 -3 166.36 7.15 -1 3 -3 152.20 8.83 -1 3 -3 147.69 6.62 1 3 3 144.22 7.76 1 3 3 159.06 8.33 -1 3 -3 146.90 8.16 -1 3 -3 165.07 7.51 1 3 4 2213.82 75.33 -1 3 -4 2179.99 75.97 -1 3 -4 2186.50 74.54 -1 3 -4 2147.83 75.87 -1 3 -4 2268.91 75.29 1 3 4 2266.55 74.97 1 3 4 2282.97 75.36 1 3 4 2285.15 74.94 -1 3 -4 2260.86 74.36 -1 3 -4 2154.56 73.86 1 3 4 2203.34 76.12 -1 3 -5 595.87 23.96 -1 3 -5 525.40 23.46 -1 3 -5 569.26 21.68 1 3 5 580.74 22.68 1 3 5 551.09 22.36 1 3 5 591.58 23.00 1 3 5 578.45 23.00 1 3 5 592.11 21.96 -1 3 -6 632.35 27.04 1 3 6 674.88 26.00 1 3 6 670.80 24.79 -1 3 -6 629.10 26.68 1 3 6 655.96 25.86 1 3 6 620.84 26.11 1 3 7 28.44 9.48 -1 3 -7 42.06 10.55 1 3 7 54.62 9.30 1 3 7 56.26 9.76 -1 3 -7 39.02 10.95 1 3 8 113.67 12.48 1 3 8 69.39 11.05 -1 3 -8 78.19 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19.06 1 4 -4 469.53 17.56 -1 4 4 473.97 16.99 1 4 -4 478.51 17.24 1 4 -3 1840.40 61.81 1 4 -3 1832.67 60.02 1 4 -3 1834.71 60.66 -1 4 3 1831.21 61.74 -1 4 3 1862.94 61.88 -1 4 3 1754.88 60.16 -1 4 3 1855.32 61.84 1 4 -3 1797.66 60.56 -1 4 3 1790.68 61.16 1 4 -3 1781.31 59.52 1 4 -3 1846.45 61.84 1 4 -2 108.52 4.40 1 4 -2 118.14 4.97 -1 4 2 122.01 6.01 -1 4 2 126.62 7.26 -1 4 2 108.41 6.83 1 4 -2 108.38 5.11 1 4 -2 119.00 7.19 -1 4 2 102.05 6.55 -1 4 2 112.71 7.51 1 4 -2 102.05 5.90 -1 4 1 151.23 5.94 1 4 -1 157.60 6.80 -1 4 1 160.24 5.97 -1 4 1 148.90 7.40 -1 4 1 155.63 7.48 -1 4 1 142.04 7.73 1 4 -1 160.35 7.83 1 4 -1 157.45 6.76 1 4 -1 163.39 9.16 1 4 -1 158.78 5.90 1 4 -1 159.35 5.79 -1 4 0 5140.23 163.21 1 4 0 5117.55 164.36 -1 4 0 5019.62 163.00 1 4 0 5076.71 163.61 1 4 0 4876.26 162.53 -1 4 0 4986.61 163.93 -1 4 0 4933.27 163.36 -1 4 0 4970.83 163.96 -1 4 0 5054.57 163.93 1 4 0 5100.67 163.14 1 4 0 4583.14 163.96 -1 4 0 4936.64 164.11 1 4 1 536.21 19.46 -1 4 -1 516.96 19.53 1 4 1 531.09 18.03 1 4 1 560.67 19.64 -1 4 -1 500.04 19.57 -1 4 -1 532.45 19.32 1 4 1 533.99 18.89 1 4 1 542.04 19.14 -1 4 -1 556.38 18.96 -1 4 -2 653.35 24.04 -1 4 -2 703.17 24.64 1 4 2 658.89 23.64 -1 4 -2 702.71 23.50 1 4 2 634.14 24.89 -1 4 -2 615.29 24.64 -1 4 -2 680.57 23.61 1 4 2 698.99 24.25 1 4 2 665.69 24.18 1 4 2 686.04 24.22 1 4 2 673.84 23.21 1 4 3 4076.69 134.20 -1 4 -3 4107.16 134.49 -1 4 -3 4056.48 135.46 1 4 3 4115.32 134.70 1 4 3 4128.66 134.85 1 4 3 4086.06 135.31 1 4 3 4066.53 134.88 -1 4 -3 4135.03 134.24 -1 4 -3 3999.14 134.10 1 4 3 4033.12 134.67 -1 4 -3 4126.41 133.74 1 4 3 4034.73 134.13 -1 4 -3 4008.55 133.92 -1 4 -3 3849.52 135.38 -1 4 -4 174.41 8.26 1 4 4 141.82 9.30 -1 4 -4 172.08 7.87 -1 4 -4 164.29 8.08 -1 4 -4 154.56 10.44 1 4 4 151.91 8.73 1 4 4 159.60 8.66 -1 4 -4 150.23 10.62 -1 4 -4 141.75 7.01 1 4 4 153.66 8.69 1 4 4 160.67 9.59 1 4 4 165.75 9.05 -1 4 -5 622.05 25.93 1 4 5 640.19 25.11 1 4 5 625.13 24.89 1 4 5 663.83 24.57 -1 4 -5 597.55 25.86 1 4 5 646.77 24.25 1 4 6 95.54 8.01 1 4 6 85.63 9.73 -1 4 -6 78.69 10.41 1 4 6 89.81 9.51 -1 4 -6 83.52 11.02 1 4 6 95.68 9.30 -1 4 -7 125.08 12.81 1 4 7 123.08 11.45 -1 4 -7 118.32 13.09 1 4 7 135.13 11.70 1 4 7 126.51 11.95 -1 4 -8 80.48 12.48 1 4 8 112.31 11.73 1 4 8 95.29 12.66 1 4 8 102.26 11.91 -1 4 -8 81.70 13.38 -1 4 -9 40.85 13.41 -1 4 -9 54.94 12.30 1 4 9 69.10 12.48 1 4 9 34.16 12.41 1 4 9 48.11 11.30 -1 4 -10 33.34 14.27 1 4 10 23.79 13.09 1 4 10 50.47 14.06 1 4 11 13.63 14.95 1 4 11 -6.37 13.99 -1 4 -11 11.88 14.34 1 4 12 50.15 15.70 1 4 12 60.63 16.53 -1 4 -12 40.06 16.53 -1 5 12 50.11 17.35 -1 5 12 32.44 16.49 1 5 -11 29.40 14.45 -1 5 11 38.06 15.60 -1 5 11 34.27 15.92 -1 5 10 48.57 14.99 -1 5 10 42.39 14.38 1 5 -10 48.75 14.06 1 5 -9 1.75 10.80 -1 5 9 2.75 10.80 -1 5 9 -1.32 12.59 1 5 -9 -4.54 11.88 -1 5 8 404.29 19.89 -1 5 8 397.60 21.21 1 5 -8 368.34 20.14 1 5 -8 405.29 20.92 1 5 -7 212.50 14.34 1 5 -7 210.89 15.20 -1 5 7 254.71 15.42 -1 5 7 232.07 14.70 -1 5 6 532.84 23.07 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2202.16 71.36 -1 5 1 2135.63 71.50 1 5 -1 2189.61 72.22 1 5 -1 2228.60 72.11 1 5 0 164.46 7.80 -1 5 0 164.18 8.41 -1 5 0 170.79 8.30 -1 5 0 167.33 7.90 1 5 0 131.95 8.37 1 5 0 158.74 8.37 1 5 0 165.00 6.97 -1 5 0 166.32 7.40 -1 5 0 148.94 6.97 1 5 0 155.38 5.65 -1 5 0 164.68 6.80 -1 5 0 166.72 7.98 -1 5 -1 4815.81 153.02 1 5 1 4505.05 152.34 1 5 1 4739.95 153.59 1 5 1 4788.34 152.98 1 5 1 4542.40 151.44 -1 5 -1 4609.35 152.59 1 5 1 4696.52 153.05 -1 5 -1 4589.04 153.09 1 5 1 4650.45 152.55 -1 5 -1 4681.89 152.30 -1 5 -1 4535.21 152.91 -1 5 -2 3775.52 121.51 1 5 2 3601.07 119.79 -1 5 -2 3634.55 120.22 -1 5 -2 3655.23 120.22 -1 5 -2 3658.91 121.18 1 5 2 3542.52 120.33 -1 5 -2 3692.07 121.11 1 5 2 3644.82 120.86 -1 5 -2 3706.66 120.79 1 5 2 3616.13 120.97 1 5 2 3599.61 120.90 1 5 3 216.15 9.44 1 5 3 226.52 10.69 -1 5 -3 217.51 11.55 -1 5 -3 219.62 11.84 1 5 3 222.37 11.23 1 5 3 209.78 10.95 1 5 3 210.25 9.87 -1 5 -3 213.25 9.91 -1 5 -3 210.57 9.48 1 5 3 224.05 10.52 1 5 3 217.62 9.44 -1 5 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388.91 18.56 -1 7 5 405.19 18.89 -1 7 5 382.33 17.85 -1 7 4 133.13 10.95 1 7 -4 126.66 8.33 1 7 -4 134.24 7.19 -1 7 4 130.52 9.91 -1 7 4 133.17 7.76 -1 7 4 121.18 9.34 -1 7 4 116.78 9.69 1 7 -4 121.61 10.27 1 7 -3 138.96 6.87 1 7 -3 145.11 10.05 -1 7 3 131.31 9.26 -1 7 3 131.02 9.16 1 7 -3 140.36 8.58 -1 7 3 124.08 9.41 1 7 -3 138.46 11.02 -1 7 3 135.85 7.51 -1 7 3 135.10 9.09 -1 7 3 121.90 7.90 1 7 -3 124.05 6.69 1 7 -2 812.59 20.60 -1 7 2 836.63 14.45 1 7 -2 828.83 15.85 1 7 -2 888.56 16.24 -1 7 2 836.95 18.46 1 7 -2 864.71 17.88 1 7 -2 839.42 14.20 -1 7 2 836.56 17.24 1 7 -2 839.20 18.96 -1 7 2 871.39 18.60 -1 7 2 847.32 17.38 -1 7 2 828.47 15.31 1 7 -2 857.91 13.16 -1 7 1 3325.76 111.96 -1 7 1 3514.33 112.38 -1 7 1 3334.42 110.63 1 7 -1 3310.27 109.45 1 7 -1 3394.26 111.42 -1 7 1 3361.25 111.28 -1 7 1 3341.32 110.45 -1 7 1 3375.98 111.92 1 7 -1 3320.90 112.17 1 7 -1 3348.15 109.88 1 7 -1 3161.26 113.06 1 7 -1 3351.16 110.38 1 7 -1 3487.54 110.99 1 7 -1 3374.23 112.10 -1 7 1 3325.15 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24.00 -1 8 7 499.65 23.11 -1 8 6 167.25 12.41 1 8 -6 170.08 14.02 -1 8 6 146.22 12.81 1 8 -6 175.02 14.13 -1 8 6 156.09 13.74 -1 8 5 171.40 12.16 1 8 -5 167.54 10.34 -1 8 5 191.36 13.23 1 8 -5 177.59 13.06 -1 8 5 183.53 12.70 -1 8 5 173.58 13.23 -1 8 4 365.52 16.49 1 8 -4 320.56 15.27 -1 8 4 334.83 14.84 -1 8 4 364.91 16.88 -1 8 4 350.00 17.28 1 8 -4 344.38 17.10 -1 8 4 315.19 16.24 -1 8 3 305.71 14.63 1 8 -3 300.96 15.56 1 8 -3 299.85 12.38 -1 8 3 283.86 13.59 1 8 -3 298.17 14.20 -1 8 3 288.37 14.84 1 8 -3 307.29 16.60 -1 8 3 310.26 14.49 -1 8 3 294.05 14.95 1 8 -2 1901.64 64.56 -1 8 2 1872.59 65.28 1 8 -2 1825.49 65.46 1 8 -2 1933.26 66.31 -1 8 2 1792.33 65.78 1 8 -2 1882.18 67.42 -1 8 2 1967.81 63.92 -1 8 2 1939.62 65.92 -1 8 2 1965.56 65.42 1 8 -1 1706.81 57.59 1 8 -1 1625.93 57.62 -1 8 1 1684.52 56.05 -1 8 1 1677.73 55.83 -1 8 1 1675.04 57.77 -1 8 1 1675.58 57.48 -1 8 1 1726.05 57.48 1 8 -1 1639.67 54.55 1 8 -1 1594.35 56.73 1 8 -1 1646.43 55.66 1 8 -1 1698.58 57.73 -1 8 1 1632.91 56.73 -1 8 1 1624.86 56.44 -1 8 0 2126.87 72.90 -1 8 0 2138.10 71.82 1 8 0 2127.05 72.50 -1 8 0 2138.78 72.97 -1 8 0 2095.04 72.47 1 8 0 2165.00 70.50 -1 8 0 2116.32 72.32 1 8 0 2156.31 71.57 1 8 0 2171.94 73.11 1 8 0 1972.96 72.82 -1 8 -1 409.98 15.88 -1 8 -1 404.15 16.42 1 8 1 416.85 17.06 -1 8 -1 380.94 15.74 -1 8 -1 407.80 16.92 -1 8 -1 370.71 17.06 1 8 1 373.17 14.24 -1 8 -1 388.34 15.99 -1 8 -1 395.28 15.09 1 8 1 416.92 16.17 1 8 1 380.11 17.20 1 8 1 394.99 16.99 -1 8 -2 1739.86 62.34 -1 8 -2 1840.22 63.13 -1 8 -2 1854.49 63.17 1 8 2 1784.74 62.52 1 8 2 1930.54 62.77 1 8 2 1854.06 60.84 -1 8 -2 1759.24 61.27 -1 8 -2 1846.27 61.84 1 8 2 1811.75 63.02 -1 8 -2 1736.39 62.52 -1 8 -3 305.93 15.63 1 8 3 319.59 15.20 -1 8 -3 311.65 15.06 -1 8 -3 294.77 13.13 1 8 3 300.38 12.59 -1 8 -3 318.81 15.13 -1 8 -3 306.82 13.81 1 8 3 302.71 14.92 1 8 4 116.78 7.90 1 8 4 114.42 9.98 -1 8 -4 131.66 10.05 -1 8 -4 126.87 11.59 -1 8 -4 109.56 10.73 1 8 4 111.31 10.41 -1 8 -5 104.59 12.66 1 8 5 127.66 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334.40 18.53 -1 9 5 370.38 18.21 -1 9 5 375.25 19.42 1 9 -4 111.78 9.51 -1 9 4 132.24 10.19 1 9 -4 137.42 13.06 -1 9 4 100.58 10.55 -1 9 4 122.87 11.91 -1 9 4 116.21 10.84 -1 9 4 114.64 8.98 1 9 -4 128.44 11.88 -1 9 3 333.33 16.31 1 9 -3 309.18 15.24 -1 9 3 283.32 14.56 1 9 -3 312.72 17.96 -1 9 3 323.20 15.31 -1 9 3 310.22 15.56 -1 9 3 328.32 16.17 1 9 -3 315.23 13.59 1 9 -3 337.51 16.49 1 9 -2 649.95 24.79 -1 9 2 701.03 26.36 -1 9 2 638.33 25.65 1 9 -2 646.02 27.72 1 9 -2 658.64 25.97 -1 9 2 674.13 25.47 -1 9 2 672.52 26.61 1 9 -2 649.81 26.61 -1 9 1 1961.87 64.24 1 9 -1 1903.32 64.42 1 9 -1 1836.32 62.27 1 9 -1 1899.78 64.49 -1 9 1 1827.77 62.49 1 9 -1 1796.55 63.56 1 9 -1 1839.83 64.24 -1 9 1 1808.89 64.24 -1 9 1 1852.63 62.74 -1 9 1 1801.56 63.24 -1 9 1 1888.47 64.60 1 9 0 165.29 10.37 -1 9 0 169.87 11.09 -1 9 0 163.68 10.55 1 9 0 170.90 10.19 1 9 0 178.88 8.91 -1 9 0 166.65 9.62 -1 9 0 155.52 9.34 -1 9 0 166.04 9.34 1 9 0 150.44 10.52 1 9 1 1169.81 40.81 -1 9 -1 1098.24 40.13 -1 9 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28.54 1 10 -2 682.14 30.40 -1 10 2 787.23 28.94 -1 10 2 731.40 29.08 -1 10 2 700.13 27.72 1 10 -2 744.13 29.15 -1 10 2 725.06 28.29 -1 10 1 526.44 20.75 1 10 -1 534.28 22.71 -1 10 1 545.61 22.71 -1 10 1 534.88 22.25 1 10 -1 601.16 22.10 1 10 -1 536.06 20.21 -1 10 1 521.97 22.96 1 10 -1 549.73 22.61 1 10 -1 507.56 22.71 1 10 0 1637.63 57.80 -1 10 0 1674.58 57.19 1 10 0 1634.02 58.34 -1 10 0 1628.54 58.30 -1 10 0 1674.97 58.48 1 10 0 1621.71 56.62 1 10 0 1667.03 58.09 -1 10 0 1660.31 57.44 1 10 1 88.74 8.01 -1 10 -1 81.19 8.41 1 10 1 79.91 9.41 -1 10 -1 92.00 9.09 -1 10 -1 95.50 7.62 1 10 1 81.30 8.87 -1 10 -1 82.55 10.30 -1 10 -2 297.17 13.16 -1 10 -2 304.96 15.38 -1 10 -2 315.94 16.10 -1 10 -2 303.96 15.27 -1 10 -2 283.04 14.67 1 10 2 297.24 14.74 -1 10 -2 308.04 14.92 1 10 2 281.78 15.56 -1 10 -3 16.02 8.69 -1 10 -3 19.49 9.05 -1 10 -3 13.48 8.23 1 10 3 4.94 8.62 -1 10 -3 13.95 7.01 1 10 3 11.05 8.19 -1 10 -3 12.13 8.26 1 10 4 38.17 9.73 -1 10 -4 27.01 10.77 -1 10 -4 34.80 9.26 -1 10 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299.42 14.74 -2 7 0 309.08 14.27 -2 7 0 323.88 12.55 2 7 0 326.03 12.48 2 7 0 311.83 12.77 -2 7 0 350.35 14.92 -2 7 0 329.68 12.77 2 7 1 417.74 17.38 -2 7 -1 434.48 17.56 2 7 1 402.86 15.42 -2 7 -1 408.30 18.10 -2 7 -1 446.93 16.85 2 7 1 453.65 18.17 -2 7 -1 424.61 16.63 2 7 1 420.39 16.70 -2 7 -1 435.95 18.28 -2 7 -2 330.75 15.63 -2 7 -2 343.31 16.10 2 7 2 348.82 13.74 -2 7 -2 332.04 15.34 2 7 2 325.60 15.24 2 7 2 367.41 14.95 2 7 3 74.90 7.08 2 7 3 76.51 8.19 -2 7 -3 75.33 8.62 -2 7 -3 78.62 8.01 2 7 3 68.21 7.80 -2 7 -3 85.20 9.80 2 7 4 489.56 20.64 -2 7 -4 473.61 22.21 -2 7 -4 483.27 20.25 2 7 4 496.11 20.14 2 7 4 462.56 20.64 -2 7 -4 479.08 21.89 2 7 5 53.30 9.01 -2 7 -5 62.60 11.88 2 7 5 52.62 9.87 -2 7 -5 42.64 8.76 2 7 5 56.84 8.69 -2 7 -5 44.21 10.98 -2 7 -6 526.55 25.79 2 7 6 556.31 23.71 2 7 6 532.34 23.43 2 7 6 520.86 23.96 -2 7 -6 539.39 25.75 2 7 7 108.38 11.41 -2 7 -7 110.20 14.31 -2 7 -7 113.03 14.63 2 7 7 107.59 12.59 2 7 7 122.44 12.66 -2 7 -8 9.87 13.13 2 7 8 9.59 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27.26 18.64 -9 -6 -1 31.12 16.06 -9 -6 -1 -10.41 18.85 -9 -6 -2 61.92 19.39 9 -6 2 34.37 14.81 -9 -6 -2 28.15 16.78 -9 -6 -2 17.35 18.49 -9 -6 -3 16.95 17.96 9 -6 3 25.93 14.56 -9 -6 -3 20.78 19.06 -9 -6 -4 14.95 19.57 9 -6 4 15.20 15.20 -9 -6 -4 24.00 18.28 -9 -6 -5 52.04 21.00 -9 -6 -5 14.16 21.00 9 -6 5 -0.93 14.99 -9 -6 -5 19.53 18.67 -9 -5 3 35.66 16.85 -9 -5 2 21.28 15.31 -9 -5 1 4.40 17.56 -9 -5 1 22.25 15.81 -9 -5 0 13.20 17.88 -9 -5 0 44.78 15.67 -9 -5 -1 23.18 18.49 9 -5 1 1.57 13.13 -9 -5 -1 11.34 18.21 -9 -5 -2 30.65 17.99 9 -5 2 23.79 14.02 -9 -5 -2 4.58 17.92 -9 -5 -3 55.44 19.35 9 -5 3 -2.54 14.38 -9 -5 -3 27.15 18.06 -9 -5 -4 23.96 18.42 9 -5 4 23.54 14.99 -9 -5 -4 51.01 19.10 -9 -5 -5 14.06 20.10 -9 -5 -5 12.84 20.78 9 -5 5 -0.89 15.02 -9 -5 -5 42.64 20.07 -9 -4 2 22.18 15.24 -9 -4 1 12.81 17.17 -9 -4 1 32.94 15.02 9 -4 0 25.54 13.20 -9 -4 0 8.55 17.53 -9 -4 0 38.74 15.45 -9 -4 0 -2.22 17.28 -9 -4 -1 63.60 18.24 9 -4 1 25.50 13.45 -9 -4 -1 15.63 17.56 -9 -4 -2 58.91 18.53 9 -4 2 30.37 13.84 -9 -4 -2 60.06 18.35 -9 -4 -3 8.73 17.74 9 -4 3 34.73 14.70 -9 -4 -3 12.23 18.13 -9 -4 -4 14.74 18.60 9 -4 4 0.86 14.06 -9 -4 -4 41.67 18.60 -9 -4 -5 -13.95 20.25 -9 -4 -5 11.55 19.89 9 -4 5 18.99 15.27 -9 -4 -5 10.37 18.85 -9 -3 2 -10.27 16.74 -9 -3 1 -19.60 17.17 -9 -3 1 11.98 14.34 -9 -3 1 4.22 16.10 9 -3 0 23.46 12.77 -9 -3 0 19.67 17.13 -9 -3 0 11.80 17.49 -9 -3 -1 25.79 17.13 9 -3 1 49.22 13.48 -9 -3 -1 9.76 17.13 -9 -3 -2 19.89 17.28 9 -3 2 0.79 12.81 -9 -3 -2 11.98 17.28 -9 -3 -3 51.83 18.56 9 -3 3 22.53 14.16 -9 -3 -3 12.13 18.06 -9 -3 -4 27.01 18.81 -9 -3 -4 4.40 19.06 9 -3 4 -4.94 13.77 -9 -3 -4 37.27 18.92 -9 -3 -5 16.24 19.39 -9 -3 -5 -24.00 20.03 9 -3 5 31.87 14.95 -9 -3 -5 23.11 19.35 -9 -3 -6 58.05 19.74 -9 -2 2 -3.65 14.74 -9 -2 2 -18.71 16.56 -9 -2 1 -5.97 15.81 -9 -2 1 -4.97 16.13 -9 -2 1 18.28 15.92 9 -2 0 1.43 12.27 -9 -2 0 7.94 16.60 -9 -2 0 7.26 16.85 -9 -2 -1 -2.00 16.10 9 -2 1 10.37 12.73 -9 -2 -1 29.44 16.99 -9 -2 -2 46.43 17.60 9 -2 2 17.49 13.34 -9 -2 -2 14.95 16.63 -9 -2 -3 3.22 17.78 9 -2 3 -10.16 13.06 -9 -2 -3 43.78 18.24 -9 -2 -4 17.88 18.89 -9 -2 -4 21.64 19.46 9 -2 4 34.27 14.02 -9 -2 -4 34.95 19.28 -9 -2 -5 27.76 20.96 -9 -2 -5 10.12 19.82 -9 -2 -5 32.69 19.67 9 -2 5 8.16 13.91 -9 -2 -6 -4.69 20.14 -9 -2 -6 11.80 19.60 -9 -2 -6 29.76 19.85 -9 -1 2 16.27 15.42 -9 -1 1 14.20 15.70 -9 -1 1 6.87 16.06 -9 -1 1 6.83 15.63 -9 -1 0 23.89 16.20 9 -1 0 -20.21 11.70 -9 -1 0 -13.59 16.81 -9 -1 0 -2.00 15.60 -9 -1 -1 2.93 15.49 9 -1 1 7.94 12.34 -9 -1 -1 35.84 16.99 -9 -1 -2 26.58 16.88 9 -1 2 11.88 12.66 -9 -1 -2 33.84 17.46 -9 -1 -3 56.69 19.21 9 -1 3 44.71 13.66 -9 -1 -3 39.45 18.46 -9 -1 -4 -16.70 18.74 -9 -1 -4 -6.44 18.89 9 -1 4 13.95 14.09 -9 -1 -4 11.34 17.96 9 -1 5 16.74 13.66 -9 -1 -5 -15.49 19.03 -9 -1 -5 26.50 20.07 -9 -1 -5 39.99 20.03 -9 -1 -6 23.29 21.10 -9 -1 -6 10.66 20.50 -9 0 2 6.30 14.70 -9 0 1 -13.56 15.88 -9 0 1 20.39 15.63 -9 0 0 -6.19 16.38 -9 0 0 10.62 14.92 -9 0 -1 13.48 15.74 -9 0 -1 -5.44 17.74 -9 0 -1 16.06 16.24 -9 0 -2 41.53 17.20 -9 0 -2 -1.14 18.24 9 0 2 21.64 12.63 -9 0 -2 11.55 17.17 -9 0 -3 45.57 19.32 -9 0 -3 19.10 18.13 9 0 3 29.47 13.38 -9 0 -3 43.82 18.74 -9 0 -4 8.87 19.28 -9 0 -4 46.46 19.21 9 0 4 37.63 13.41 -9 0 -5 27.72 19.24 -9 0 -5 33.26 19.74 -9 0 -6 27.94 21.03 -9 0 -6 8.33 20.35 -9 0 -6 -19.14 21.57 -9 1 2 19.06 15.38 -9 1 1 6.76 16.02 -9 1 1 26.75 14.63 -9 1 0 41.38 15.52 -9 1 0 6.12 16.60 -9 1 0 6.58 15.34 -9 1 -1 19.99 15.99 -9 1 -1 12.84 17.46 -9 1 -1 39.74 17.06 -9 1 -2 32.08 17.71 -9 1 -2 -12.23 18.56 -9 1 -2 17.78 16.95 -9 1 -3 85.49 19.53 -9 1 -3 45.78 17.96 -9 1 -3 23.03 18.39 9 1 3 52.11 13.41 -9 1 -3 86.02 19.64 -9 1 -4 4.15 18.49 -9 1 -4 13.23 18.49 -9 1 -4 -16.67 19.28 -9 1 -4 33.34 19.46 9 1 4 -1.47 12.34 -9 1 -5 26.54 20.50 -9 1 -5 14.95 19.96 -9 1 -5 -21.96 20.17 -9 1 -6 -2.32 20.35 -9 1 -6 17.92 20.75 -9 1 -6 2.50 20.14 -9 2 2 18.39 15.85 -9 2 1 9.69 16.06 -9 2 0 -6.08 16.67 -9 2 0 18.53 15.27 -9 2 -1 29.01 16.81 -9 2 -1 5.29 16.67 -9 2 -1 22.75 16.06 -9 2 -2 35.73 17.74 -9 2 -2 9.91 17.92 -9 2 -2 52.47 18.21 -9 2 -3 18.89 17.60 -9 2 -3 -12.70 17.24 -9 2 -3 -7.98 19.17 -9 2 -3 18.78 18.28 -9 2 -4 33.23 19.03 -9 2 -4 49.50 19.89 -9 2 -4 45.60 19.14 -9 2 -5 -4.44 19.14 -9 2 -5 16.13 19.42 -9 2 -5 -16.74 19.92 -9 2 -6 33.66 21.00 -9 2 -6 37.38 21.39 -9 2 -6 1.22 20.14 -9 3 3 39.95 15.13 -9 3 2 20.53 15.88 -9 3 1 16.67 16.53 -9 3 0 1.04 17.35 -9 3 0 41.31 16.13 -9 3 -1 31.83 17.42 -9 3 -1 66.28 17.53 -9 3 -2 34.30 16.63 -9 3 -2 33.91 17.81 -9 3 -2 28.29 17.46 -9 3 -3 30.12 18.28 -9 3 -3 8.98 18.78 -9 3 -4 -6.19 18.81 -9 3 -4 22.03 19.10 -9 3 -4 10.37 18.89 -9 3 -5 23.11 20.21 -9 3 -5 19.71 20.39 -9 3 -5 34.12 19.53 -9 3 -6 10.41 21.21 -9 3 -6 25.15 19.85 -9 4 3 35.73 15.92 -9 4 3 11.95 15.31 -9 4 2 18.28 15.92 -9 4 1 30.87 17.17 -9 4 0 19.67 17.10 -9 4 0 41.31 15.99 -9 4 -1 1.07 16.92 -9 4 -2 19.35 17.17 -9 4 -2 35.23 18.67 -9 4 -3 54.87 18.96 -9 4 -3 22.53 19.17 -9 4 -4 25.32 19.57 -9 4 -4 13.84 18.96 -9 4 -5 32.59 20.21 -9 4 -5 7.05 18.56 -9 4 -6 4.65 19.71 -9 5 7 27.33 18.85 -9 5 6 41.06 17.99 -9 5 5 13.63 15.74 -9 5 4 37.95 15.88 -9 5 4 24.64 16.85 -9 5 3 39.45 16.67 -9 5 3 18.71 15.60 -9 5 2 22.61 16.56 -9 5 2 46.07 15.99 -9 5 1 40.03 18.67 -9 5 0 53.65 17.88 -9 5 -1 18.42 18.60 -9 5 -2 35.63 18.56 -9 5 -3 -4.11 18.35 -9 5 -3 48.97 19.49 -9 5 -4 -3.29 18.71 -9 5 -4 20.89 19.42 -9 5 -5 60.41 20.78 -9 5 -5 25.90 19.82 -9 6 7 -20.25 18.89 -9 6 6 29.83 18.56 -9 6 5 2.79 16.02 -9 6 4 38.09 16.02 -9 6 4 26.47 17.74 -9 6 3 9.69 17.17 -9 6 3 32.66 17.24 -9 6 2 26.15 17.13 -9 6 2 29.44 16.63 -9 6 1 36.63 17.92 -9 6 0 24.97 18.42 -9 6 -1 57.69 19.60 -9 6 -2 28.26 19.42 -9 6 -3 32.19 19.49 -9 6 -4 9.87 19.24 -9 6 -4 33.87 20.07 -9 6 -5 5.90 20.96 -9 6 -5 34.27 19.39 -9 7 6 44.50 19.24 -9 7 5 6.62 16.38 -9 7 5 -21.68 17.60 -9 7 4 22.21 16.17 -9 7 4 -0.97 17.17 -9 7 3 7.12 17.35 -9 7 3 14.70 17.53 -9 7 2 33.16 18.60 -9 7 2 30.76 17.63 -9 7 1 19.24 18.49 -9 7 1 12.45 17.03 -9 7 0 19.96 18.39 -9 7 -1 26.11 19.10 -9 7 -2 19.78 19.71 -9 7 -3 7.05 19.42 -9 7 -4 -2.22 18.85 -9 7 -4 4.76 19.17 -9 7 -5 27.36 20.64 -9 7 -5 37.20 20.17 -9 8 6 18.49 18.78 -9 8 5 43.42 17.28 -9 8 5 37.91 19.39 -9 8 4 11.84 16.45 -9 8 4 9.16 17.71 -9 8 3 17.96 19.17 -9 8 3 29.76 18.13 -9 8 2 38.81 19.06 -9 8 2 31.12 17.38 -9 8 1 26.43 19.17 -9 8 1 39.67 17.67 -9 8 0 69.07 20.60 -9 8 -1 33.66 19.82 -9 8 -2 9.48 19.74 -9 8 -3 20.39 19.14 -9 8 -4 27.86 21.03 -9 8 -5 4.79 20.50 -9 8 -5 41.35 21.00 -9 9 6 25.86 19.14 -9 9 5 54.05 18.39 -9 9 5 19.14 18.46 -9 9 4 23.39 16.92 -9 9 4 13.77 18.99 -9 9 3 34.12 19.35 -9 9 3 38.17 19.60 -9 9 2 3.36 19.06 -9 9 2 60.95 19.53 -9 9 1 47.04 19.96 -9 9 1 49.54 18.64 -9 9 0 46.61 20.60 -9 9 0 34.95 18.21 -9 9 -1 26.15 20.50 -9 9 -2 15.70 20.96 -9 9 -3 38.99 21.18 -9 9 -4 35.70 21.14 -9 10 5 17.67 20.10 -9 10 4 17.24 17.53 -9 10 4 -6.62 19.67 -9 10 3 7.98 19.57 -9 10 3 5.44 19.14 -9 10 2 65.49 21.35 -9 10 2 16.45 18.81 -9 10 1 27.40 20.75 -9 10 1 8.58 18.42 -9 10 0 26.65 20.92 -9 10 0 40.42 19.10 -9 10 -1 44.10 21.25 -9 10 -1 23.39 18.64 -9 10 -2 12.38 20.82 -9 10 -3 19.92 21.71 -9 11 3 24.72 20.75 -9 11 3 27.11 19.64 -9 11 2 18.13 20.75 -9 11 2 15.81 20.64 -9 11 1 14.81 20.82 -9 11 1 55.94 19.96 -9 11 0 48.90 21.68 -9 11 0 13.23 18.85 -9 11 -1 40.67 22.39 -9 11 -1 26.25 20.14 -9 11 -2 42.24 23.21 -9 11 -2 54.69 20.03 -9 12 2 26.11 21.78 -9 12 1 36.95 22.03 -9 12 1 44.17 20.92 -9 12 0 36.66 20.67 -10 -9 1 37.84 18.06 -10 -8 3 18.71 17.85 -10 -8 2 16.24 18.35 -10 -8 1 -3.79 20.89 -10 -8 1 31.12 18.21 -10 -8 0 -2.50 20.71 -10 -8 0 33.26 18.31 -10 -8 0 25.65 17.88 -10 -8 -1 25.15 19.17 -10 -7 3 24.39 17.96 -10 -7 2 23.00 17.96 -10 -7 1 -12.27 20.10 -10 -7 1 -1.04 17.10 -10 -7 0 8.51 19.99 -10 -7 0 25.90 17.74 -10 -7 -1 13.06 19.06 -10 -7 -1 -2.47 19.67 -10 -6 2 -12.02 20.89 -10 -6 2 5.04 16.70 -10 -6 1 36.98 19.71 -10 -6 1 38.02 16.92 -10 -6 0 22.43 19.64 -10 -6 0 -3.65 19.03 10 -6 1 20.14 14.31 -10 -6 -1 1.14 18.71 -10 -6 -1 -1.22 19.17 -10 -6 -2 57.44 20.50 10 -6 2 3.47 14.41 -10 -6 -2 15.60 19.14 -10 -5 2 3.51 18.99 -10 -5 1 -3.47 19.21 -10 -5 1 -14.24 19.42 -10 -5 0 -9.16 18.46 -10 -5 0 -3.58 19.42 10 -5 1 6.58 14.09 -10 -5 -1 30.30 18.60 -10 -5 -1 5.94 18.39 -10 -5 -2 37.09 18.81 10 -5 2 2.58 14.13 -10 -5 -2 11.73 19.32 -10 -4 2 1.14 17.96 -10 -4 1 -12.30 18.28 -10 -4 1 -17.28 18.60 -10 -4 0 7.69 18.03 -10 -4 0 11.62 18.64 10 -4 1 33.91 14.70 -10 -4 -1 54.73 19.57 10 -4 2 -21.85 14.56 -10 -4 -2 -12.63 18.24 -10 -4 -3 47.46 19.24 10 -4 3 5.22 14.84 -10 -4 -3 -10.37 18.46 -10 -3 1 32.01 17.88 -10 -3 1 22.25 17.99 -10 -3 1 12.23 18.56 -10 -3 0 26.58 17.81 -10 -3 0 5.58 17.31 -10 -3 -1 26.72 17.74 10 -3 1 15.88 13.63 -10 -3 -1 -11.23 17.38 -10 -3 -2 -13.06 17.85 10 -3 2 12.38 14.38 -10 -3 -2 12.41 18.53 -10 -3 -3 13.48 18.74 10 -3 3 18.71 14.70 -10 -3 -3 1.14 18.24 -10 -2 1 -8.41 17.81 -10 -2 1 -6.37 17.88 -10 -2 0 32.98 18.53 -10 -2 0 -16.81 18.74 -10 -2 0 44.32 18.17 -10 -2 -1 20.92 17.96 10 -2 1 12.45 13.27 -10 -2 -1 -21.25 20.10 -10 -2 -1 46.07 18.17 -10 -2 -2 36.59 18.46 10 -2 2 -9.69 13.59 -10 -2 -2 2.22 17.71 -10 -2 -3 23.39 19.89 10 -2 3 5.83 14.45 -10 -2 -3 28.54 18.96 10 -2 4 5.19 14.16 -10 -1 1 -7.26 17.35 -10 -1 1 66.78 17.53 -10 -1 0 23.96 17.24 -10 -1 0 18.85 18.64 -10 -1 0 46.96 17.06 -10 -1 -1 39.99 17.60 -10 -1 -1 20.42 17.49 -10 -1 -2 40.49 19.03 -10 -1 -2 32.12 18.10 -10 -1 -3 -23.14 18.89 -10 -1 -3 29.44 18.21 10 -1 3 9.01 13.95 -10 -1 -3 -7.55 20.07 -10 -1 -3 45.60 19.64 -10 -1 -4 -1.11 18.96 10 -1 4 -14.34 14.13 -10 0 1 44.35 17.85 -10 0 0 19.67 18.64 -10 0 0 1.00 16.99 -10 0 -1 56.76 18.60 -10 0 -1 -1.14 18.81 -10 0 -1 12.70 16.88 -10 0 -2 21.07 19.14 -10 0 -2 -9.55 19.42 -10 0 -2 15.42 17.49 -10 0 -3 8.76 19.06 -10 0 -3 -1.04 18.71 -10 0 -3 -29.62 20.28 -10 0 -3 40.06 19.21 -10 0 -4 -4.29 19.06 -10 0 -4 -12.52 19.64 -10 1 2 27.11 16.92 -10 1 1 33.94 17.42 -10 1 0 21.68 18.24 -10 1 0 62.70 17.20 -10 1 -1 14.70 18.31 -10 1 -1 26.15 16.78 -10 1 -2 10.41 17.99 -10 1 -2 -27.01 19.74 -10 1 -3 14.13 19.35 -10 1 -3 -15.74 20.07 -10 1 -3 38.88 19.64 -10 1 -4 16.06 20.10 -10 1 -4 37.31 21.21 -10 2 2 45.68 17.60 -10 2 1 37.16 18.10 -10 2 0 14.06 18.60 -10 2 0 26.43 16.31 -10 2 -1 22.50 18.64 -10 2 -1 19.74 16.81 -10 2 -2 51.47 18.89 -10 2 -2 4.65 18.81 -10 2 -2 40.42 18.17 -10 2 -3 34.48 19.60 -10 2 -3 16.63 20.35 -10 2 -4 24.86 19.92 -10 3 2 40.42 17.17 -10 3 1 61.02 18.64 -10 3 0 9.73 17.92 -10 3 -1 31.37 18.99 -10 3 -1 9.26 17.24 -10 3 -2 12.70 19.57 -10 3 -3 2.15 18.78 -10 3 -3 21.25 20.21 -10 3 -4 1.14 19.42 -10 4 3 28.15 16.49 -10 4 2 34.02 17.88 -10 4 1 27.26 17.67 -10 4 0 47.75 19.10 -10 4 -1 1.11 19.03 -10 4 -2 3.47 19.14 -10 4 -3 -3.54 19.35 -10 5 3 15.56 16.88 -10 5 2 13.23 17.67 -10 5 2 14.67 15.99 -10 5 1 53.08 19.03 -10 5 0 12.09 18.39 -10 5 -1 46.25 19.82 -10 5 -2 70.32 20.82 -10 6 4 29.47 18.06 -10 6 3 33.41 17.88 -10 6 2 21.71 18.06 -10 6 2 7.58 17.03 -10 6 1 11.88 18.31 -10 6 0 54.62 19.64 -10 6 -1 52.83 20.78 -10 6 -2 37.34 21.07 -10 7 4 46.25 16.67 -10 7 4 -0.97 17.78 -10 7 3 5.94 17.46 -10 7 2 13.74 18.39 -10 7 2 55.98 18.78 -10 7 1 13.13 19.21 -10 7 1 12.84 17.63 -10 7 0 5.65 19.49 -10 7 -1 6.94 20.03 -10 8 3 40.31 19.39 -10 8 2 52.40 20.25 -10 8 2 21.50 18.46 -10 8 1 7.80 19.67 -10 8 1 34.66 18.21 -10 8 0 18.31 20.46 0 0 0 0.00 0.00 _computing_structure_solution 'SHELXT 2018/2 (Sheldrick, 2018)' ; _shelx_hkl_checksum 64311 _olex2_submission_special_instructions 'No special instructions were received' loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, y+1/2, -z' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_site_symmetry_order _atom_site_calc_flag _atom_site_refinement_flags_posn _atom_site_refinement_flags_adp _atom_site_refinement_flags_occupancy _atom_site_disorder_assembly _atom_site_disorder_group Hg1 Hg 0.46508(19) 0.3676(6) 0.83032(14) 0.0608(4) Uani 1 1 d D U . . . Hg2 Hg -0.04672(18) 0.3217(6) 0.71479(15) 0.0616(4) Uani 1 1 d D U . . . Br6 Br 0.5663(7) 0.4089(7) 0.5830(5) 0.0903(14) Uani 1 1 d . U . . . Br3 Br 0.0774(8) 0.4655(7) 0.7366(6) 0.0928(13) Uani 1 1 d . U . . . Br4 Br -0.2203(10) 0.2619(8) 0.9207(11) 0.078(2) Uani 0.66(2) 1 d . U P A 1 Br2 Br 0.2775(6) 0.2396(7) 0.8463(7) 0.0951(13) Uani 1 1 d . U . . . Br1 Br 0.5000(18) 0.4640(10) 1.0522(12) 0.079(3) Uani 0.59(3) 1 d . U P B 1 Br5 Br -0.041(3) 0.2347(12) 0.4781(16) 0.085(3) Uani 0.48(3) 1 d . U P A 1 N2 N -0.443(3) 0.6731(17) 0.692(3) 0.071(4) Uani 1 1 d D U . . . C1 C -0.440(5) 0.7631(16) 0.722(4) 0.071(4) Uani 1 1 d D U . . . H1A H -0.340258 0.787902 0.679735 0.107 Uiso 1 1 calc R . . . . H1B H -0.544221 0.788574 0.678457 0.107 Uiso 1 1 calc R . . . . H1C H -0.431881 0.772393 0.828393 0.107 Uiso 1 1 calc R . . . . C2 C -0.283(4) 0.632(2) 0.758(4) 0.071(4) Uani 1 1 d D U . . . H2A H -0.287945 0.572400 0.736671 0.106 Uiso 1 1 calc R . . . . H2B H -0.182786 0.655750 0.715424 0.106 Uiso 1 1 calc R . . . . H2C H -0.273988 0.640219 0.864283 0.106 Uiso 1 1 calc R . . . . C3 C 0.871(6) 0.516(3) 0.333(5) 0.089(5) Uani 1 1 d . U . . . H3A H 0.858372 0.474249 0.409147 0.133 Uiso 1 1 calc R . . . . H3B H 0.888863 0.570222 0.377949 0.133 Uiso 1 1 calc R . . . . H3C H 0.767031 0.516934 0.266683 0.133 Uiso 1 1 calc R . . . . C4 C 1.201(7) 0.537(3) 0.319(6) 0.089(5) Uani 1 1 d . U . . . H4A H 1.295824 0.521364 0.260231 0.133 Uiso 1 1 calc R . . . . H4B H 1.189042 0.597099 0.319518 0.133 Uiso 1 1 calc R . . . . H4C H 1.224157 0.517039 0.419767 0.133 Uiso 1 1 calc R . . . . C5 C -0.595(4) 0.633(2) 0.756(4) 0.071(4) Uani 1 1 d D U . . . H5A H -0.594730 0.573863 0.735435 0.106 Uiso 1 1 calc R . . . . H5B H -0.587725 0.641891 0.862710 0.106 Uiso 1 1 calc R . . . . H5C H -0.700065 0.658072 0.712774 0.106 Uiso 1 1 calc R . . . . C6 C -0.454(5) 0.660(2) 0.528(2) 0.071(4) Uani 1 1 d D U . . . H6A H -0.456298 0.600386 0.506888 0.106 Uiso 1 1 calc R . . . . H6B H -0.558410 0.685509 0.484239 0.106 Uiso 1 1 calc R . . . . H6C H -0.354398 0.684760 0.486245 0.106 Uiso 1 1 calc R . . . . N1 N 1.021(6) 0.4943(16) 0.247(4) 0.088(5) Uani 1 1 d D U . . . C7 C 1.017(7) 0.411(4) 0.160(5) 0.089(5) Uani 1 1 d . U . . . H7A H 1.122691 0.405043 0.109435 0.133 Uiso 1 1 calc R . . . . H7B H 1.006799 0.364572 0.227748 0.133 Uiso 1 1 calc R . . . . H7C H 0.919027 0.410650 0.087235 0.133 Uiso 1 1 calc R . . . . C8 C 1.030(7) 0.5619(18) 0.131(4) 0.089(5) Uani 1 1 d D U . . . H8A H 1.127106 0.550932 0.071279 0.133 Uiso 1 1 calc R . . . . H8B H 0.924386 0.562424 0.067902 0.133 Uiso 1 1 calc R . . . . H8C H 1.046219 0.615712 0.179168 0.133 Uiso 1 1 calc R . . . . Cl5A Cl -0.058(7) 0.251(3) 0.498(4) 0.085(3) Uani 0.52(3) 1 d D U P A 2 Cl1A Cl 0.523(8) 0.451(3) 1.028(5) 0.079(3) Uani 0.41(3) 1 d D U P B 2 Cl4A Cl -0.239(5) 0.256(3) 0.858(6) 0.078(2) Uani 0.34(2) 1 d D U P A 2 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 Hg1 0.0681(8) 0.0603(7) 0.0553(7) -0.0058(6) 0.0133(6) -0.0113(7) Hg2 0.0663(7) 0.0619(8) 0.0578(7) -0.0078(6) 0.0125(6) -0.0115(6) Br6 0.111(4) 0.095(3) 0.0684(19) 0.000(2) 0.033(2) -0.001(3) Br3 0.105(4) 0.0747(16) 0.099(3) 0.001(2) 0.005(3) -0.0251(18) Br4 0.083(2) 0.080(3) 0.075(4) 0.019(4) 0.025(3) 0.004(2) Br2 0.0672(18) 0.090(2) 0.126(3) 0.019(2) -0.0090(19) -0.0251(14) Br1 0.074(6) 0.095(5) 0.069(3) -0.028(2) 0.001(3) 0.019(4) Br5 0.077(6) 0.102(6) 0.077(3) -0.033(3) 0.019(3) 0.017(6) N2 0.071(4) 0.071(4) 0.070(4) 0.0000(13) 0.0049(13) 0.0000(12) C1 0.071(4) 0.071(4) 0.071(4) -0.0001(12) 0.0047(14) 0.0000(11) C2 0.071(4) 0.071(4) 0.071(4) 0.0000(14) 0.0047(13) 0.0001(13) C3 0.089(5) 0.089(5) 0.088(5) 0.0000(13) 0.0061(14) 0.0001(13) C4 0.089(5) 0.089(5) 0.089(5) -0.0002(13) 0.0059(13) -0.0002(13) C5 0.071(4) 0.071(4) 0.071(4) 0.0002(14) 0.0051(14) 0.0001(13) C6 0.071(4) 0.071(4) 0.071(4) 0.0000(12) 0.0048(12) 0.0001(14) N1 0.088(5) 0.088(5) 0.088(5) 0.0001(10) 0.0059(12) 0.0000(13) C7 0.089(5) 0.089(5) 0.089(5) -0.0002(13) 0.0062(14) 0.0000(13) C8 0.089(5) 0.089(5) 0.089(5) 0.0004(13) 0.0062(12) 0.0000(14) Cl5A 0.077(6) 0.102(6) 0.077(3) -0.033(3) 0.019(3) 0.017(6) Cl1A 0.074(6) 0.095(5) 0.069(3) -0.028(2) 0.001(3) 0.019(4) Cl4A 0.083(2) 0.080(3) 0.075(4) 0.019(4) 0.025(3) 0.004(2) 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' Br Br -0.2901 2.4595 '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' Hg Hg -2.3894 9.2266 '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' loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle_publ_flag Br6 Hg1 Br4 95.3(2) . 1_655 ? Br6 Hg1 Br2 118.8(2) . . ? Br6 Hg1 Br1 121.5(4) . . ? Br6 Hg1 Cl4A 86.9(7) . 1_655 ? Br2 Hg1 Br4 89.34(19) . 1_655 ? Br2 Hg1 Br1 118.7(4) . . ? Br2 Hg1 Cl4A 87.2(7) . 1_655 ? Br1 Hg1 Br4 94.9(4) . 1_655 ? Br1 Hg1 Cl4A 105.4(12) . 1_655 ? Cl1A Hg1 Br6 119.8(15) . . ? Cl1A Hg1 Br2 121.2(15) . . ? Cl1A Hg1 Cl4A 100(2) . 1_655 ? Br3 Hg2 Br4 120.5(3) . . ? Br3 Hg2 Br2 93.63(17) . . ? Br3 Hg2 Br5 122.6(4) . . ? Br4 Hg2 Br2 91.0(2) . . ? Br5 Hg2 Br4 116.5(5) . . ? Br5 Hg2 Br2 91.8(5) . . ? Cl5A Hg2 Br3 121.3(11) . . ? Cl5A Hg2 Br2 96.1(16) . . ? Cl5A Hg2 Cl4A 105.9(18) . . ? Cl4A Hg2 Br3 129.8(14) . . ? Cl4A Hg2 Br2 97.7(13) . . ? Hg2 Br4 Hg1 92.8(3) . 1_455 ? Hg1 Br2 Hg2 95.35(17) . . ? C1 N2 C2 110.9(19) . . ? C1 N2 C5 110.7(19) . . ? C1 N2 C6 108.9(19) . . ? C2 N2 C6 108.7(19) . . ? C5 N2 C2 108.2(19) . . ? C5 N2 C6 109.4(19) . . ? N2 C1 H1A 109.5 . . ? N2 C1 H1B 109.5 . . ? N2 C1 H1C 109.5 . . ? H1A C1 H1B 109.5 . . ? H1A C1 H1C 109.5 . . ? H1B C1 H1C 109.5 . . ? N2 C2 H2A 109.5 . . ? N2 C2 H2B 109.5 . . ? N2 C2 H2C 109.5 . . ? H2A C2 H2B 109.5 . . ? H2A C2 H2C 109.5 . . ? H2B C2 H2C 109.5 . . ? H3A C3 H3B 109.5 . . ? H3A C3 H3C 109.5 . . ? H3B C3 H3C 109.5 . . ? N1 C3 H3A 109.5 . . ? N1 C3 H3B 109.5 . . ? N1 C3 H3C 109.5 . . ? H4A C4 H4B 109.5 . . ? H4A C4 H4C 109.5 . . ? H4B C4 H4C 109.5 . . ? N1 C4 H4A 109.5 . . ? N1 C4 H4B 109.5 . . ? N1 C4 H4C 109.5 . . ? N2 C5 H5A 109.5 . . ? N2 C5 H5B 109.5 . . ? N2 C5 H5C 109.5 . . ? H5A C5 H5B 109.5 . . ? H5A C5 H5C 109.5 . . ? H5B C5 H5C 109.5 . . ? N2 C6 H6A 109.5 . . ? N2 C6 H6B 109.5 . . ? N2 C6 H6C 109.5 . . ? H6A C6 H6B 109.5 . . ? H6A C6 H6C 109.5 . . ? H6B C6 H6C 109.5 . . ? C3 N1 C4 112(4) . . ? C3 N1 C7 119(4) . . ? C3 N1 C8 106(4) . . ? C7 N1 C4 123(4) . . ? C8 N1 C4 84(3) . . ? C8 N1 C7 105(3) . . ? N1 C7 H7A 109.5 . . ? N1 C7 H7B 109.5 . . ? N1 C7 H7C 109.5 . . ? H7A C7 H7B 109.5 . . ? H7A C7 H7C 109.5 . . ? H7B C7 H7C 109.5 . . ? N1 C8 H8A 109.5 . . ? N1 C8 H8B 109.5 . . ? N1 C8 H8C 109.5 . . ? H8A C8 H8B 109.5 . . ? H8A C8 H8C 109.5 . . ? H8B C8 H8C 109.5 . . ? Hg2 Cl4A Hg1 102.0(15) . 1_455 ? loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag Hg1 Br6 2.485(5) . ? Hg1 Br4 3.009(9) 1_655 ? Hg1 Br2 2.500(5) . ? Hg1 Br1 2.507(8) . ? Hg1 Cl1A 2.23(2) . ? Hg1 Cl4A 2.88(5) 1_655 ? Hg2 Br3 2.475(5) . ? Hg2 Br4 2.533(8) . ? Hg2 Br2 2.983(5) . ? Hg2 Br5 2.531(10) . ? Hg2 Cl5A 2.23(2) . ? Hg2 Cl4A 2.28(2) . ? N2 C1 1.45(2) . ? N2 C2 1.48(2) . ? N2 C5 1.48(2) . ? N2 C6 1.48(2) . ? C1 H1A 0.9600 . ? C1 H1B 0.9600 . ? C1 H1C 0.9600 . ? C2 H2A 0.9600 . ? C2 H2B 0.9600 . ? C2 H2C 0.9600 . ? C3 H3A 0.9600 . ? C3 H3B 0.9600 . ? C3 H3C 0.9600 . ? C3 N1 1.47(7) . ? C4 H4A 0.9600 . ? C4 H4B 0.9600 . ? C4 H4C 0.9600 . ? C4 N1 1.63(6) . ? C5 H5A 0.9600 . ? C5 H5B 0.9600 . ? C5 H5C 0.9600 . ? C6 H6A 0.9600 . ? C6 H6B 0.9600 . ? C6 H6C 0.9600 . ? N1 C7 1.54(6) . ? N1 C8 1.5000(14) . ? C7 H7A 0.9600 . ? C7 H7B 0.9600 . ? C7 H7C 0.9600 . ? C8 H8A 0.9600 . ? C8 H8B 0.9600 . ? C8 H8C 0.9600 . ?