#------------------------------------------------------------------------------ #$Date: 2024-01-20 04:46:00 +0200 (Sat, 20 Jan 2024) $ #$Revision: 289170 $ #$URL: file:///home/coder/svn-repositories/cod/cif/2/30/07/2300727.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/. The original data for this entry # were provided by IUCr Journals, http://journals.iucr.org/. # # The file may be used within the scientific community so long as # proper attribution is given to the journal article from which the # data were obtained. # data_2300727 loop_ _publ_author_name 'Dyk, Konrad' 'Kinzhybalo, Vasyl' 'Horak, Yuriy' 'Butenko, Serhii' 'Siczek, Mi\/losz' 'Kami\'nski, Daniel M.' _publ_section_title ; Bending the bonds: unveiling halogen interactions in the elastic polymorph of 2,5-bis(3-bromophenyl)furan ; _journal_issue 1 _journal_name_full 'Journal of Applied Crystallography' _journal_paper_doi 10.1107/S1600576723010609 _journal_volume 57 _journal_year 2024 _chemical_formula_moiety 'C16 H10 Br2 O' _chemical_formula_sum 'C16 H10 Br2 O' _chemical_formula_weight 378.06 _space_group_crystal_system orthorhombic _space_group_IT_number 33 _space_group_name_Hall 'P 2c -2n' _space_group_name_H-M_alt 'P n a 21' _atom_sites_solution_hydrogens geom _atom_sites_solution_primary dual _audit_creation_date 2022-08-29 _audit_creation_method ; Olex2 1.5 (compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498) ; _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 8.226(3) _cell_length_b 13.408(4) _cell_length_c 12.222(4) _cell_measurement_reflns_used 13880 _cell_measurement_temperature 100.01(10) _cell_measurement_theta_max 29.0460 _cell_measurement_theta_min 2.8800 _cell_volume 1348.0(8) _computing_cell_refinement 'CrysAlisPro 1.171.41.110a (Rigaku OD, 2021)' _computing_data_collection 'CrysAlisPro 1.171.41.110a (Rigaku OD, 2021)' _computing_data_reduction 'CrysAlisPro 1.171.41.110a (Rigaku OD, 2021)' _computing_molecular_graphics 'Olex2 1.5 (Dolomanov et al., 2009)' _computing_publication_material 'Olex2 1.5 (Dolomanov et al., 2009)' _computing_structure_refinement 'SHELXL 2018/3 (Sheldrick, 2015)' _computing_structure_solution 'SHELXT 2018/2 (Sheldrick, 2018)' _diffrn_ambient_environment N~2~ _diffrn_ambient_temperature 100.01(10) _diffrn_detector 'CCD plate' _diffrn_detector_area_resol_mean 10.6249 _diffrn_detector_type Atlas _diffrn_measured_fraction_theta_full 0.999 _diffrn_measured_fraction_theta_max 0.955 _diffrn_measurement_details ; List of Runs (angles in degrees, time in seconds): # Type Start End Width t~exp~ \w \q \k \f Frames -------------------------------------------------------------------------- 1 \w -78.00 -32.00 1.00 4.00 -- 13.31 178.00 90.00 46 2 \w -25.00 57.00 1.00 4.00 -- 13.31 -99.00-120.00 82 3 \w -94.00 17.00 1.00 4.00 -- -14.40 -37.00 -60.00 111 4 \w -25.00 30.00 1.00 4.00 -- -14.40 -99.00 90.00 55 5 \w -47.00 64.00 1.00 4.00 -- -14.40 57.00 90.00 111 6 \w -25.00 57.00 1.00 4.00 -- 13.31 -99.00-150.00 82 7 \w -94.00 17.00 1.00 4.00 -- -14.40 -37.00 150.00 111 8 \w -98.00 22.00 1.00 4.00 -- -14.40 -77.00 120.00 120 9 \w -47.00 18.00 1.00 4.00 -- -14.40 57.00-120.00 65 10 \w -107.00 -35.00 1.00 4.00 -- -14.40-178.00-150.00 72 ; _diffrn_measurement_device 'four-circle diffractometer' _diffrn_measurement_device_type 'Xcalibur, Atlas' _diffrn_measurement_method '\w scans' _diffrn_orient_matrix_type 'CrysAlisPro convention (1999,Acta A55,543-557)' _diffrn_orient_matrix_UB_11 0.0216686000 _diffrn_orient_matrix_UB_12 -0.0506116000 _diffrn_orient_matrix_UB_13 -0.0084325000 _diffrn_orient_matrix_UB_21 0.0236769000 _diffrn_orient_matrix_UB_22 -0.0038911000 _diffrn_orient_matrix_UB_23 0.0556497000 _diffrn_orient_matrix_UB_31 -0.0800312000 _diffrn_orient_matrix_UB_32 -0.0148585000 _diffrn_orient_matrix_UB_33 0.0141802000 _diffrn_radiation_monochromator graphite _diffrn_radiation_probe x-ray _diffrn_radiation_type 'Mo K\a' _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0374 _diffrn_reflns_av_unetI/netI 0.0275 _diffrn_reflns_Laue_measured_fraction_full 0.999 _diffrn_reflns_Laue_measured_fraction_max 0.955 _diffrn_reflns_limit_h_max 11 _diffrn_reflns_limit_h_min -11 _diffrn_reflns_limit_k_max 17 _diffrn_reflns_limit_k_min -18 _diffrn_reflns_limit_l_max 16 _diffrn_reflns_limit_l_min -15 _diffrn_reflns_number 27898 _diffrn_reflns_point_group_measured_fraction_full 0.999 _diffrn_reflns_point_group_measured_fraction_max 0.930 _diffrn_reflns_theta_full 25.242 _diffrn_reflns_theta_max 29.513 _diffrn_reflns_theta_min 2.905 _diffrn_source 'fine-focus sealed X-ray tube' _diffrn_source_type 'Enhance (Mo) X-ray Source' _exptl_absorpt_coefficient_mu 6.001 _exptl_absorpt_correction_T_max 1.00000 _exptl_absorpt_correction_T_min 0.46921 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details ; CrysAlisPro 1.171.41.110a (Rigaku Oxford Diffraction, 2021) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm. ; _exptl_crystal_colour 'clear colourless' _exptl_crystal_colour_lustre clear _exptl_crystal_colour_primary colourless _exptl_crystal_density_diffrn 1.863 _exptl_crystal_description rhombohedral _exptl_crystal_F_000 736 _exptl_crystal_size_max 0.44 _exptl_crystal_size_mid 0.19 _exptl_crystal_size_min 0.09 _refine_diff_density_max 0.542 _refine_diff_density_min -0.340 _refine_diff_density_rms 0.076 _refine_ls_abs_structure_details ; Flack x determined using 1401 quotients [(I+)-(I-)]/[(I+)+(I-)] (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259). ; _refine_ls_abs_structure_Flack -0.014(4) _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 172 _refine_ls_number_reflns 3505 _refine_ls_number_restraints 1 _refine_ls_restrained_S_all 1.046 _refine_ls_R_factor_all 0.0284 _refine_ls_R_factor_gt 0.0218 _refine_ls_shift/su_max 0.001 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0181P)^2^+0.3092P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0389 _refine_ls_wR_factor_ref 0.0409 _reflns_Friedel_coverage 0.866 _reflns_Friedel_fraction_full 0.999 _reflns_Friedel_fraction_max 0.903 _reflns_number_gt 3224 _reflns_number_total 3505 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file ei5098sup1.cif _cod_data_source_block alpha _cod_database_code 2300727 _shelx_shelxl_version_number 2018/3 _chemical_oxdiff_formula CHOBr _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 0.614 _shelx_estimated_absorpt_t_min 0.178 _olex2_refinement_description ; 1.a Aromatic/amide H refined with riding coordinates: C16(H16), C14(H14), C2(H2), C9(H9), C8(H8), C6(H6), C3(H3), C10(H10), C13(H13), C12(H12) ; _shelx_res_file ; TITL mbromofuran_etoh_100k_a.res in Pna2(1) mbromofuran_etoh_100k.res created by SHELXL-2018/3 at 15:15:13 on 22-Jun-2022 REM Old TITL Mbromofuran_EtOh_100K in Pna2(1) REM SHELXT solution in Pna2(1): R1 0.045, Rweak 0.010, Alpha 0.004 REM 0.701 for 170 systematic absences, Orientation as input REM Flack x = -0.019 ( 0.004 ) from 1219 Parsons' quotients REM Formula found by SHELXT: C16 O Br2 CELL 0.71073 8.226 13.408 12.222 90 90 90 ZERR 4 0.003 0.004 0.004 0 0 0 LATT -1 SYMM -X,-Y,0.5+Z SYMM 0.5+X,0.5-Y,+Z SYMM 0.5-X,0.5+Y,0.5+Z SFAC C H Br O UNIT 64 40 8 4 L.S. 4 0 0 PLAN 4 SIZE 0.44 0.19 0.09 CONF list 4 MORE -1 BOND $H fmap 2 53 acta REM REM REM WGHT 0.018100 0.309200 FVAR 0.34929 BR2 3 0.200264 0.891896 0.715080 11.00000 0.02329 0.01841 = 0.01781 -0.00050 0.00313 0.00139 BR1 3 0.443829 0.338140 0.569680 11.00000 0.02431 0.01562 = 0.02040 0.00363 0.00569 0.00138 O1 4 0.609821 0.705864 0.435223 11.00000 0.01477 0.01336 = 0.01375 -0.00027 0.00048 -0.00018 C7 1 0.561859 0.395727 0.450370 11.00000 0.01522 0.01930 = 0.01374 0.00244 0.00003 -0.00041 C16 1 0.452649 0.852525 0.562023 11.00000 0.01505 0.01412 = 0.01516 0.00050 -0.00518 -0.00018 AFIX 43 H16 2 0.428198 0.785858 0.575078 11.00000 -1.20000 AFIX 0 C14 1 0.405596 1.027294 0.601387 11.00000 0.01945 0.01638 = 0.01873 -0.00246 -0.00402 0.00304 AFIX 43 H14 2 0.349651 1.076403 0.639725 11.00000 -1.20000 AFIX 0 C2 1 0.784510 0.710428 0.295561 11.00000 0.01664 0.02121 = 0.01299 0.00149 -0.00082 0.00095 AFIX 43 H2 2 0.851840 0.690905 0.238309 11.00000 -1.20000 AFIX 0 C9 1 0.726070 0.378184 0.292081 11.00000 0.02740 0.02335 = 0.01819 -0.00408 0.00449 0.00594 AFIX 43 H9 2 0.775868 0.338167 0.239741 11.00000 -1.20000 AFIX 0 C8 1 0.636084 0.333879 0.375277 11.00000 0.02451 0.01475 = 0.02039 0.00052 0.00036 0.00210 AFIX 43 H8 2 0.626297 0.264918 0.380111 11.00000 -1.20000 AFIX 0 C5 1 0.667447 0.542342 0.363099 11.00000 0.01388 0.01740 = 0.01283 -0.00117 -0.00309 0.00063 C6 1 0.573741 0.498694 0.446078 11.00000 0.01492 0.01580 = 0.01341 0.00085 -0.00094 0.00362 AFIX 43 H6 2 0.520488 0.538184 0.497348 11.00000 -1.20000 AFIX 0 C15 1 0.371332 0.927044 0.617494 11.00000 0.01641 0.01991 = 0.01546 0.00195 -0.00321 -0.00182 C3 1 0.760006 0.809337 0.333357 11.00000 0.01758 0.01797 = 0.01678 0.00340 -0.00268 -0.00328 AFIX 43 H3 2 0.807739 0.866887 0.305574 11.00000 -1.20000 AFIX 0 C11 1 0.572912 0.878742 0.485538 11.00000 0.01420 0.01618 = 0.01557 0.00033 -0.00542 0.00044 C1 1 0.691517 0.649607 0.358417 11.00000 0.01210 0.01832 = 0.01348 -0.00020 -0.00339 0.00196 C10 1 0.742776 0.480259 0.285796 11.00000 0.02238 0.01918 = 0.01595 0.00233 0.00416 0.00234 AFIX 43 H10 2 0.804447 0.508240 0.229895 11.00000 -1.20000 AFIX 0 C13 1 0.526147 1.052346 0.526181 11.00000 0.02220 0.01252 = 0.02463 -0.00011 -0.00694 -0.00319 AFIX 43 H13 2 0.550814 1.119108 0.513922 11.00000 -1.20000 AFIX 0 C12 1 0.608969 0.979744 0.469953 11.00000 0.01687 0.01754 = 0.02000 0.00120 -0.00199 -0.00161 AFIX 43 H12 2 0.690107 0.997915 0.420857 11.00000 -1.20000 AFIX 0 C4 1 0.652835 0.803694 0.418374 11.00000 0.01500 0.01392 = 0.01628 0.00196 -0.00548 -0.00128 HKLF 4 REM mbromofuran_etoh_100k_a.res in Pna2(1) REM wR2 = 0.0409, GooF = S = 1.046, Restrained GooF = 1.046 for all data REM R1 = 0.0218 for 3224 Fo > 4sig(Fo) and 0.0284 for all 3505 data REM 172 parameters refined using 1 restraints END WGHT 0.0181 0.3092 REM Highest difference peak 0.542, deepest hole -0.340, 1-sigma level 0.076 Q1 1 0.3007 0.8876 0.7164 11.00000 0.05 0.54 Q2 1 0.0804 0.8973 0.7176 11.00000 0.05 0.42 Q3 1 0.3560 0.8827 0.5797 11.00000 0.05 0.29 Q4 1 0.2208 0.9818 0.5782 11.00000 0.05 0.28 ; _shelx_res_checksum 82446 _shelx_hkl_file ; 0 0 -15 -6.48 10.66 0 0 -14 1104.82 51.12 0 0 -13 11.89 9.12 0 0 -12 646.04 34.84 0 0 -11 -3.40 7.82 0 0 -10 45.80 11.29 0 0 -9 -1.72 6.39 0 0 -8 2916.69 71.85 0 0 -7 0.86 4.99 0 0 -7 -4.69 3.14 0 0 -7 1.29 0.84 0 0 -6 2430.14 58.24 0 0 -6 2478.35 41.23 0 0 -6 2561.26 51.50 0 0 -5 -0.94 2.29 0 0 -5 -1.56 3.78 0 0 -5 0.58 0.79 0 0 -5 5.43 2.73 0 0 -4 346.11 11.79 0 0 -4 364.81 15.05 0 0 -4 361.32 7.45 0 0 -4 359.17 11.75 0 0 -3 4.78 3.42 0 0 -3 0.85 1.61 0 0 -3 3.31 1.50 0 0 -2 440.45 12.66 0 0 -2 436.17 10.62 0 0 -2 435.80 10.51 0 0 -2 448.01 11.72 0 0 2 137.00 5.49 0 0 2 142.96 5.29 0 0 3 5.38 3.06 0 0 3 1.43 1.95 0 0 3 4.08 2.09 0 0 4 388.75 12.92 0 0 4 397.08 15.72 0 0 4 395.85 12.74 0 0 5 2.91 2.84 0 0 5 -1.25 2.54 0 0 5 -1.22 2.36 0 0 6 2727.41 55.28 0 0 6 2750.50 63.14 0 0 6 2650.13 54.76 0 0 7 1.41 3.06 0 0 7 5.17 2.73 0 0 7 0.34 1.03 0 0 7 -1.27 3.47 0 0 7 2.61 4.83 0 0 8 2882.48 62.37 0 0 8 2929.47 62.85 0 0 8 2970.47 48.30 0 0 9 -0.90 3.50 0 0 10 17.26 6.07 0 0 11 4.17 5.63 0 0 12 434.14 23.06 0 0 13 12.07 6.48 0 0 14 1154.27 43.28 0 0 15 -1.57 7.77 0 -1 -15 44.74 14.02 0 1 -15 26.82 12.57 0 -1 -14 4.83 10.09 0 1 -14 -5.88 8.18 0 1 -13 27.47 9.29 0 -1 -13 34.19 11.78 0 1 -12 -6.34 8.34 0 -1 -12 4.09 7.16 0 -1 -11 949.93 42.23 0 1 -11 997.87 41.24 0 1 -10 0.93 1.15 0 -1 -10 -4.82 6.91 0 1 -10 2.12 5.66 0 1 -9 580.51 13.15 0 -1 -9 602.86 29.57 0 1 -9 551.75 27.32 0 1 -8 0.22 1.29 0 1 -8 -1.16 4.32 0 -1 -8 3.16 5.94 0 1 -7 109.17 8.42 0 1 -7 103.23 4.63 0 -1 -7 105.85 8.22 0 1 -7 98.37 7.90 0 -1 -7 94.51 10.50 0 1 -7 109.67 11.22 0 1 -6 -1.80 3.00 0 -1 -6 0.92 2.41 0 1 -6 -2.59 2.56 0 1 -6 3.55 4.53 0 -1 -6 -4.05 5.90 0 1 -5 1435.59 37.32 0 -1 -5 1471.40 39.32 0 1 -5 1462.09 33.38 0 -1 -5 1513.11 33.19 0 -1 -4 -4.13 2.90 0 -1 -4 1.83 3.28 0 1 -4 2.43 3.40 0 1 -4 4.90 2.34 0 -1 -4 0.48 1.95 0 -1 -3 4439.53 81.71 0 1 -3 4281.89 79.46 0 -1 -3 4504.09 76.81 0 1 -3 4454.96 76.72 0 -1 -3 4608.69 76.78 0 1 -2 -0.17 1.24 0 -1 -2 0.11 2.31 0 1 -2 2.79 1.74 0 -1 -2 1.22 1.13 0 -1 -2 1.21 1.41 0 -1 -2 0.69 1.18 0 -1 2 1.35 1.55 0 -1 2 1.51 1.59 0 1 2 1.90 0.89 0 1 2 -0.05 1.80 0 -1 2 1.27 1.84 0 1 2 -0.65 1.47 0 1 2 1.65 1.50 0 -1 3 4173.65 78.39 0 1 3 4417.56 78.36 0 1 3 4283.97 74.63 0 -1 3 4160.75 77.26 0 1 3 4282.93 72.31 0 -1 3 4422.45 74.21 0 1 3 4344.52 73.84 0 1 4 -0.55 2.02 0 -1 4 -0.45 2.30 0 1 4 0.27 1.69 0 -1 4 2.70 2.24 0 1 4 2.01 2.70 0 -1 4 1.31 2.32 0 1 4 -0.21 1.83 0 1 4 0.82 2.25 0 -1 5 1486.96 39.00 0 1 5 1452.87 37.93 0 1 5 1454.53 33.10 0 -1 5 1433.82 32.57 0 1 5 1453.63 32.79 0 1 5 1427.18 32.31 0 1 5 1413.18 30.94 0 -1 5 1398.19 34.58 0 -1 6 -0.55 3.19 0 1 6 -3.67 3.23 0 1 6 -0.43 3.37 0 -1 6 -1.47 4.00 0 1 6 0.41 2.11 0 -1 6 0.93 3.11 0 1 6 1.60 2.88 0 1 6 2.46 1.15 0 -1 7 80.30 9.96 0 1 7 73.03 8.75 0 1 7 80.82 7.54 0 -1 7 91.90 7.79 0 1 7 76.95 7.27 0 1 7 72.62 3.21 0 1 7 71.83 6.15 0 -1 7 96.42 8.29 0 -1 8 -2.85 4.06 0 1 8 4.00 4.36 0 1 8 -0.54 3.35 0 1 8 0.28 0.87 0 -1 8 0.20 2.99 0 1 8 1.83 2.37 0 1 9 633.40 22.29 0 -1 9 623.95 23.84 0 1 9 652.54 24.33 0 1 9 621.98 15.17 0 1 10 -0.17 5.04 0 1 10 0.11 1.38 0 -1 10 -6.30 6.07 0 -1 11 914.10 33.30 0 1 11 932.28 33.56 0 1 11 952.86 18.40 0 1 12 4.60 6.26 0 -1 12 0.48 6.07 0 1 13 32.32 8.53 0 -1 13 46.62 9.21 0 -1 14 5.04 8.46 0 1 14 15.11 8.83 0 -1 15 52.04 10.52 0 1 15 45.61 10.86 0 -2 -15 -0.18 10.58 0 2 -15 -1.11 7.81 0 2 -14 78.47 14.16 0 -2 -14 55.57 15.69 0 -2 -13 17.63 10.41 0 2 -13 -5.89 9.02 0 2 -12 265.68 21.15 0 -2 -12 273.93 23.82 0 2 -11 0.33 1.61 0 2 -11 0.94 7.99 0 -2 -11 4.70 6.50 0 2 -10 129.80 6.24 0 -2 -10 145.75 15.74 0 2 -10 124.11 13.54 0 2 -9 1.08 1.91 0 -2 -9 -3.81 6.01 0 2 -9 5.80 6.06 0 2 -8 407.69 12.34 0 -2 -8 407.49 23.24 0 2 -8 399.91 20.85 0 2 -7 -3.67 3.06 0 -2 -7 2.73 2.92 0 2 -7 0.77 4.81 0 -2 -7 0.65 5.32 0 2 -6 308.14 15.54 0 -2 -6 289.85 17.18 0 -2 -6 307.16 13.32 0 2 -6 282.21 13.11 0 2 -5 1.81 2.99 0 -2 -5 2.21 4.49 0 2 -5 3.12 2.02 0 -2 -5 1.00 1.89 0 -2 -4 729.92 23.80 0 2 -4 726.42 21.23 0 -2 -4 752.74 18.76 0 2 -4 710.19 19.36 0 -2 -4 720.83 19.33 0 2 -3 -0.07 1.81 0 -2 -3 1.65 1.39 0 2 -3 -1.50 2.34 0 -2 -3 1.35 3.16 0 -2 -3 1.25 2.38 0 -2 -3 2.64 1.83 0 2 -2 159.86 6.41 0 -2 -2 146.72 7.50 0 -2 -2 163.65 7.16 0 2 -2 151.46 6.26 0 -2 -2 162.14 6.47 0 2 -1 1.08 0.75 0 -2 -1 0.49 0.95 0 2 -1 2.51 0.97 0 -2 -1 3.17 1.36 0 -2 -1 -0.18 1.70 0 -2 -1 2.81 1.61 0 2 -1 0.83 1.33 0 -2 0 20.04 1.88 0 -2 0 11.00 1.37 0 2 0 18.67 2.24 0 2 0 2.46 1.34 0 -2 0 13.15 2.18 0 -2 0 10.99 2.03 0 2 0 9.62 2.01 0 -2 1 2.47 0.92 0 2 1 -0.59 0.96 0 -2 1 1.55 1.09 0 -2 1 -1.03 1.03 0 2 1 4.32 1.75 0 -2 1 1.39 1.05 0 2 1 4.13 1.76 0 -2 2 87.42 5.37 0 2 2 82.41 5.08 0 2 2 88.95 5.24 0 -2 2 80.98 3.71 0 -2 2 85.52 4.75 0 2 2 84.04 4.68 0 -2 3 2.26 2.12 0 2 3 1.63 1.08 0 -2 3 1.31 3.33 0 2 3 3.30 2.61 0 -2 3 4.12 3.06 0 2 3 -3.15 2.01 0 2 3 2.59 2.08 0 -2 4 772.86 24.15 0 2 4 803.11 23.36 0 2 4 779.13 21.18 0 -2 4 759.20 23.81 0 2 4 776.66 17.40 0 -2 4 763.81 20.16 0 2 4 756.88 19.92 0 -2 5 -3.96 2.96 0 2 5 -2.61 3.06 0 -2 5 -1.01 3.34 0 2 5 2.73 1.93 0 2 5 -3.12 3.73 0 -2 5 -1.56 3.28 0 2 5 -0.09 2.07 0 2 5 -1.44 2.98 0 -2 6 235.10 15.28 0 2 6 244.55 14.18 0 2 6 244.21 12.40 0 2 6 240.22 11.78 0 -2 6 243.82 11.96 0 2 6 241.44 11.58 0 2 6 247.82 10.08 0 -2 6 271.84 14.57 0 2 7 4.35 2.41 0 -2 7 -1.74 3.29 0 -2 7 -1.19 3.66 0 2 7 1.26 3.57 0 2 7 -0.26 2.76 0 -2 7 -2.46 3.60 0 2 7 0.53 2.78 0 2 7 0.53 3.23 0 2 8 389.39 17.54 0 -2 8 378.86 17.22 0 2 8 374.73 10.46 0 2 8 355.89 14.62 0 -2 9 6.95 5.21 0 2 9 -2.41 3.97 0 2 9 -0.88 1.46 0 2 9 1.50 2.63 0 -2 10 112.85 11.08 0 2 10 105.28 10.24 0 2 10 114.81 6.80 0 2 10 105.46 8.85 0 2 10 117.57 4.57 0 2 11 -0.08 2.24 0 -2 11 2.05 5.37 0 2 11 12.20 6.47 0 -2 12 244.44 17.37 0 2 12 268.50 18.22 0 2 13 3.38 5.57 0 -2 13 -0.83 6.97 0 2 14 48.13 11.14 0 -2 14 63.08 10.88 0 -2 15 -1.59 6.68 0 2 15 3.40 7.28 0 3 -15 70.42 14.89 0 -3 -15 69.53 16.76 0 -3 -14 -8.12 11.49 0 3 -14 -5.31 8.50 0 3 -13 415.85 27.70 0 -3 -13 409.86 31.31 0 -3 -12 7.70 8.88 0 3 -12 -1.85 6.09 0 3 -11 326.47 11.84 0 3 -11 323.76 22.19 0 -3 -11 319.61 25.09 0 3 -10 2.82 2.36 0 3 -10 3.80 5.89 0 -3 -10 2.28 8.39 0 3 -9 962.11 35.12 0 -3 -9 972.20 40.18 0 -3 -8 -1.35 5.31 0 3 -8 -2.37 4.92 0 3 -7 31.51 6.52 0 -3 -7 51.87 9.57 0 -3 -7 38.47 5.17 0 -3 -6 -3.86 5.03 0 3 -6 1.78 4.20 0 3 -6 3.00 2.66 0 -3 -6 -3.50 3.27 0 3 -5 910.89 24.35 0 -3 -5 819.60 28.75 0 3 -5 856.67 25.08 0 -3 -5 879.33 22.36 0 3 -5 860.60 15.72 0 -3 -5 873.97 24.00 0 3 -4 -2.13 1.78 0 -3 -4 0.29 1.61 0 -3 -4 -3.09 4.08 0 3 -4 -3.41 3.06 0 -3 -4 0.21 2.81 0 -3 -4 0.78 2.39 0 3 -3 1420.60 29.95 0 -3 -3 1501.38 34.66 0 -3 -3 1401.44 32.01 0 3 -3 1504.96 30.68 0 -3 -3 1555.24 31.20 0 -3 -2 4.95 2.30 0 3 -2 1.16 1.08 0 -3 -2 2.82 1.68 0 3 -2 3.32 1.49 0 -3 -2 2.07 2.60 0 3 -2 1.05 1.61 0 -3 -2 -1.05 2.86 0 3 -2 2.29 1.50 0 -3 -1 2389.64 42.73 0 -3 -1 2411.96 45.47 0 3 -1 2434.48 45.20 0 -3 -1 2338.85 46.35 0 3 -1 2369.67 42.72 0 3 -1 2402.03 41.09 0 -3 -1 2325.83 42.18 0 3 -1 2380.67 44.51 0 3 0 0.07 1.56 0 -3 0 -0.70 1.22 0 -3 0 1.04 1.55 0 3 0 -0.12 1.38 0 -3 0 -0.03 2.20 0 3 0 2.83 2.02 0 3 0 2.57 1.87 0 -3 0 2.75 2.49 0 3 0 -0.83 2.28 0 -3 0 2.67 2.12 0 -3 1 2561.32 43.76 0 3 1 2473.09 44.11 0 3 1 2510.50 47.66 0 3 1 2483.20 48.46 0 -3 1 2573.60 45.53 0 -3 1 2511.40 43.33 0 3 1 2569.54 44.79 0 -3 1 2574.53 47.09 0 3 2 1.57 1.97 0 -3 2 0.93 2.12 0 -3 2 0.22 1.42 0 -3 2 1.66 2.02 0 3 2 -0.40 2.33 0 3 2 2.08 2.52 0 -3 3 1447.89 34.40 0 3 3 1517.09 33.51 0 -3 3 1544.56 29.49 0 3 3 1492.60 33.90 0 -3 3 1518.58 32.37 0 3 3 1504.35 32.15 0 -3 4 -0.67 3.05 0 -3 4 -0.23 4.07 0 3 4 -0.17 1.10 0 3 4 1.15 2.73 0 -3 4 3.05 3.79 0 3 4 0.88 2.83 0 3 4 -2.00 2.44 0 3 5 960.33 28.63 0 -3 5 987.93 31.31 0 3 5 989.09 27.59 0 -3 5 979.95 26.09 0 3 5 974.64 25.64 0 3 5 964.76 18.91 0 -3 5 1002.54 31.65 0 3 5 966.22 20.99 0 -3 6 -2.03 3.98 0 3 6 0.72 1.47 0 -3 6 1.26 3.23 0 3 6 5.39 3.64 0 -3 6 7.37 5.17 0 3 6 -4.00 3.04 0 3 6 -1.63 3.07 0 3 7 48.47 4.59 0 -3 7 31.08 6.11 0 3 7 36.65 5.54 0 -3 7 42.64 5.93 0 3 7 35.62 6.34 0 -3 7 36.39 7.37 0 3 7 44.72 6.13 0 3 7 49.43 6.28 0 -3 8 -5.06 4.29 0 3 8 1.97 3.78 0 3 8 -3.91 4.16 0 3 8 -1.10 2.08 0 -3 9 886.48 29.89 0 3 9 915.45 30.37 0 3 9 847.64 20.55 0 3 9 853.17 29.10 0 3 9 894.43 25.27 0 3 10 -1.84 5.40 0 -3 10 1.13 5.11 0 3 10 -1.22 1.68 0 3 10 -6.78 3.66 0 3 11 298.86 18.69 0 -3 11 340.59 19.67 0 3 11 336.49 13.24 0 -3 12 6.08 6.72 0 3 12 -5.62 6.53 0 3 12 -3.05 2.80 0 -3 13 359.28 22.66 0 3 13 392.22 23.35 0 3 14 18.80 9.20 0 -3 14 -0.56 7.42 0 3 15 57.93 10.81 0 -3 15 68.89 13.16 0 4 -15 6.41 9.27 0 -4 -15 8.38 10.86 0 -4 -14 560.36 38.08 0 4 -14 493.47 31.04 0 4 -13 5.61 8.09 0 -4 -13 -2.43 8.69 0 4 -12 485.53 27.93 0 -4 -12 444.14 31.31 0 -4 -11 -1.26 8.69 0 4 -11 0.21 5.47 0 4 -11 1.11 2.75 0 4 -10 72.74 10.60 0 -4 -10 44.12 11.24 0 -4 -9 -6.23 7.98 0 4 -9 -1.44 4.77 0 4 -8 1027.70 33.90 0 -4 -8 1075.78 40.69 0 -4 -7 2.70 5.61 0 4 -7 2.13 3.95 0 4 -6 2269.27 49.03 0 4 -6 2059.48 48.89 0 -4 -6 2080.70 56.10 0 4 -6 2150.95 37.09 0 -4 -6 2326.15 49.54 0 4 -5 -0.38 2.32 0 -4 -5 -1.02 2.23 0 4 -5 -2.75 2.87 0 -4 -5 -1.30 5.01 0 -4 -5 -1.26 3.59 0 -4 -5 0.74 2.22 0 4 -4 228.34 10.29 0 -4 -4 227.85 13.12 0 -4 -4 231.24 7.31 0 -4 -4 226.74 11.99 0 4 -4 242.17 10.91 0 -4 -4 257.48 11.46 0 -4 -3 -1.11 2.33 0 4 -3 -1.19 1.59 0 -4 -3 -0.16 1.76 0 4 -3 -0.84 2.01 0 -4 -3 1.63 3.05 0 -4 -3 -1.23 3.52 0 4 -3 -2.33 2.72 0 -4 -2 1625.84 35.22 0 4 -2 1671.58 31.50 0 -4 -2 1658.42 35.80 0 -4 -2 1603.29 37.26 0 4 -2 1629.07 32.26 0 4 -2 1658.51 30.84 0 -4 -2 1640.79 32.73 0 4 -2 1635.40 35.05 0 -4 -1 -2.63 2.53 0 4 -1 0.59 1.43 0 -4 -1 1.18 1.63 0 -4 -1 1.21 1.60 0 -4 -1 -0.42 2.89 0 4 -1 6.06 3.24 0 -4 -1 2.26 3.21 0 4 -1 3.13 1.95 0 4 -1 3.70 2.44 0 -4 0 3242.01 61.60 0 4 0 3240.60 61.69 0 -4 0 3181.28 61.09 0 4 0 3118.52 60.36 0 4 0 3203.43 58.01 0 -4 0 3183.95 57.13 0 4 0 3226.86 56.38 0 -4 0 3276.61 61.57 0 4 0 3175.41 60.89 0 -4 1 -0.12 1.44 0 4 1 3.37 1.47 0 4 1 0.60 1.73 0 -4 1 -0.22 2.70 0 4 1 0.12 2.11 0 -4 1 1.65 1.31 0 4 1 3.82 2.78 0 -4 1 2.77 2.18 0 4 1 1.76 3.24 0 4 2 1612.38 32.69 0 -4 2 1527.91 32.93 0 4 2 1643.93 36.85 0 -4 2 1679.42 32.37 0 -4 2 1606.07 34.63 0 4 2 1586.13 35.06 0 4 3 -1.30 2.24 0 -4 3 -0.68 2.75 0 -4 3 0.53 2.48 0 -4 3 -0.08 1.94 0 4 3 3.08 3.28 0 4 3 1.30 2.64 0 4 4 281.49 12.69 0 -4 4 274.92 13.85 0 4 4 290.73 13.52 0 -4 4 283.69 10.08 0 -4 4 279.26 16.12 0 -4 4 282.67 12.28 0 4 4 270.36 11.89 0 -4 5 1.52 3.33 0 -4 5 4.36 4.80 0 -4 5 3.54 2.50 0 4 5 2.68 2.97 0 -4 5 0.64 3.26 0 4 5 1.96 3.07 0 4 5 3.53 3.59 0 -4 6 1990.73 53.41 0 4 6 2013.69 48.88 0 4 6 1968.77 47.86 0 -4 6 2042.41 45.82 0 4 6 1919.06 35.64 0 4 6 1907.74 44.55 0 -4 6 1977.98 53.50 0 4 7 0.20 1.75 0 -4 7 -2.62 4.18 0 4 7 -1.97 3.05 0 -4 7 -0.04 5.33 0 4 7 1.42 1.06 0 4 7 -0.94 3.73 0 -4 8 1129.00 33.67 0 4 8 1109.13 33.17 0 4 8 1072.15 32.39 0 4 8 1080.71 26.26 0 4 9 -0.12 5.04 0 -4 9 -3.20 5.54 0 4 9 1.19 4.05 0 4 9 -0.37 2.36 0 -4 10 50.45 8.28 0 4 10 42.50 8.03 0 4 10 33.59 4.10 0 4 10 38.90 7.76 0 4 10 32.32 4.69 0 4 11 2.09 5.34 0 -4 11 1.73 5.28 0 -4 12 500.56 25.76 0 4 12 461.61 24.63 0 4 12 469.73 18.07 0 -4 13 9.43 6.55 0 4 13 9.96 5.70 0 4 14 479.24 27.59 0 -4 14 477.57 27.57 0 4 15 -25.17 10.53 0 5 -15 170.28 19.83 0 5 -14 9.33 7.99 0 -5 -14 -21.80 14.12 0 -5 -13 54.81 13.44 0 5 -13 50.47 11.50 0 -5 -12 5.02 10.02 0 5 -12 1.21 6.90 0 -5 -11 517.02 32.40 0 5 -11 494.30 26.49 0 5 -10 -4.03 6.19 0 -5 -10 -6.06 9.33 0 5 -9 423.59 21.51 0 -5 -9 439.72 26.70 0 -5 -8 4.44 5.51 0 5 -8 -2.23 3.98 0 5 -7 241.31 6.87 0 -5 -7 256.76 18.33 0 5 -7 221.61 13.55 0 5 -6 1.12 3.04 0 5 -6 -1.29 3.76 0 -5 -6 -0.78 5.36 0 -5 -6 2.62 4.94 0 -5 -6 -0.64 3.13 0 -5 -5 831.72 23.75 0 5 -5 771.77 23.13 0 -5 -5 764.84 28.18 0 -5 -5 805.66 18.36 0 -5 -5 778.04 26.45 0 5 -5 765.97 24.03 0 -5 -5 852.27 25.26 0 -5 -4 1.25 2.81 0 5 -4 0.01 1.63 0 -5 -4 3.56 2.08 0 -5 -4 0.66 0.80 0 -5 -4 -1.50 4.29 0 5 -4 -0.65 2.45 0 -5 -4 3.16 3.54 0 5 -4 0.07 2.48 0 -5 -3 776.45 24.12 0 5 -3 850.56 20.53 0 -5 -3 878.00 24.52 0 5 -3 811.60 20.35 0 -5 -3 836.54 26.06 0 5 -3 869.95 19.42 0 -5 -3 842.51 21.63 0 5 -3 823.76 23.40 0 5 -2 1.14 1.44 0 -5 -2 3.96 2.05 0 5 -2 2.96 2.69 0 -5 -2 -0.57 2.43 0 5 -2 0.83 1.90 0 -5 -2 -0.88 3.73 0 -5 -2 5.05 2.54 0 5 -2 1.94 3.27 0 -5 -1 604.42 15.17 0 5 -1 603.29 19.74 0 -5 -1 605.19 19.83 0 -5 -1 608.78 20.48 0 5 -1 587.10 17.42 0 5 -1 597.02 15.86 0 -5 -1 590.70 15.80 0 -5 -1 585.93 17.84 0 5 -1 599.19 15.42 0 5 -1 590.48 18.86 0 -5 0 2.35 2.22 0 -5 0 1.47 1.09 0 5 0 -1.27 1.88 0 -5 0 -3.56 3.80 0 5 0 -4.18 3.06 0 -5 0 1.25 3.04 0 5 0 -0.66 2.39 0 -5 0 4.94 3.23 0 5 0 -3.83 3.89 0 -5 1 566.86 13.37 0 5 1 549.79 13.50 0 5 1 532.75 18.73 0 5 1 569.97 19.32 0 -5 1 541.47 17.34 0 -5 1 564.95 14.54 0 5 1 548.51 15.19 0 -5 1 538.01 18.29 0 5 1 569.58 18.89 0 -5 2 2.45 1.56 0 5 2 6.32 2.52 0 5 2 1.30 1.68 0 -5 2 -1.29 3.14 0 -5 2 3.08 2.32 0 -5 2 0.75 2.20 0 5 2 0.64 2.53 0 5 2 0.13 3.25 0 -5 3 850.66 24.15 0 5 3 879.78 22.99 0 5 3 894.01 26.79 0 -5 3 888.58 21.65 0 -5 3 883.04 24.49 0 5 3 872.05 24.77 0 5 4 0.65 2.35 0 -5 4 4.32 4.77 0 -5 4 0.01 3.36 0 -5 4 -1.53 3.10 0 -5 4 0.12 2.07 0 5 4 -0.65 3.27 0 5 4 0.59 3.19 0 -5 5 847.29 29.72 0 5 5 887.09 27.02 0 -5 5 862.82 33.26 0 -5 5 884.76 26.42 0 5 5 865.30 26.02 0 5 5 918.37 28.98 0 -5 5 917.47 22.80 0 -5 6 1.87 3.84 0 5 6 3.73 4.19 0 -5 6 -4.66 4.83 0 -5 6 0.36 2.49 0 5 6 0.68 2.63 0 5 7 249.86 15.33 0 -5 7 257.36 18.44 0 -5 7 272.07 14.82 0 5 7 258.96 14.27 0 5 7 261.41 8.80 0 -5 7 260.74 11.83 0 5 8 0.83 1.17 0 5 8 -0.37 4.47 0 -5 8 2.30 5.00 0 5 9 398.85 19.59 0 -5 9 453.47 21.40 0 5 9 402.22 20.17 0 5 10 0.02 5.91 0 5 10 3.69 5.59 0 -5 10 -6.32 6.18 0 5 11 444.07 23.02 0 5 11 468.60 23.71 0 -5 11 441.93 23.70 0 -5 12 -2.20 6.30 0 5 12 9.20 6.09 0 5 13 42.03 9.02 0 -5 13 35.31 8.46 0 5 14 3.62 6.70 0 -5 14 -6.78 8.63 0 6 -15 -8.02 9.42 0 6 -14 52.40 11.80 0 -6 -14 31.17 11.48 0 -6 -13 -5.25 9.25 0 6 -13 7.60 7.53 0 6 -12 306.91 15.65 0 6 -12 322.87 22.23 0 -6 -12 358.75 27.94 0 -6 -11 -0.91 8.50 0 6 -11 -1.17 6.15 0 -6 -10 1288.31 50.50 0 6 -10 1270.94 42.12 0 -6 -9 -6.88 8.01 0 6 -9 -2.65 5.17 0 6 -8 460.05 10.72 0 6 -8 434.74 20.34 0 -6 -8 413.80 24.89 0 6 -7 0.14 1.72 0 6 -7 -0.47 3.76 0 -6 -7 -0.80 5.34 0 -6 -6 477.19 21.93 0 -6 -6 515.15 19.25 0 6 -6 484.16 16.12 0 -6 -6 469.98 23.13 0 6 -6 495.26 18.86 0 -6 -5 3.32 3.01 0 6 -5 -2.16 1.95 0 -6 -5 -2.40 2.92 0 -6 -5 9.86 4.65 0 6 -5 -0.62 2.78 0 -6 -5 -2.66 4.12 0 6 -5 2.25 2.84 0 -6 -4 2384.51 55.31 0 6 -4 2481.35 48.88 0 -6 -4 2496.52 54.38 0 -6 -4 2495.96 50.58 0 6 -4 2426.29 46.43 0 6 -4 2374.52 52.78 0 -6 -3 0.94 2.64 0 6 -3 0.28 1.65 0 -6 -3 1.30 2.36 0 6 -3 1.56 2.17 0 -6 -3 -0.45 3.21 0 -6 -3 4.20 4.40 0 6 -3 3.48 2.91 0 -6 -2 1707.01 36.54 0 -6 -2 1707.84 42.56 0 6 -2 1619.91 36.15 0 -6 -2 1608.68 35.09 0 6 -2 1655.92 33.41 0 -6 -2 1647.26 39.02 0 6 -2 1684.24 39.67 0 6 -2 1740.67 40.95 0 -6 -2 1688.70 40.85 0 -6 -1 -0.54 1.85 0 6 -1 -0.14 2.08 0 6 -1 2.29 2.18 0 -6 -1 2.55 2.86 0 6 -1 0.13 3.15 0 -6 -1 -0.74 1.63 0 -6 -1 -2.04 4.41 0 6 -1 0.69 2.74 0 6 -1 3.32 3.77 0 -6 -1 7.21 3.80 0 -6 0 1212.54 32.58 0 6 0 1217.81 32.84 0 -6 0 1227.58 32.13 0 6 0 1199.31 31.00 0 -6 0 1217.74 27.40 0 6 0 1203.63 26.58 0 6 0 1185.15 31.69 0 -6 0 1244.54 32.59 0 -6 1 0.22 2.26 0 6 1 -1.10 2.18 0 -6 1 3.42 3.70 0 6 1 0.17 2.91 0 -6 1 -0.60 1.53 0 6 1 3.20 3.04 0 -6 1 -0.18 3.11 0 6 1 -0.93 3.94 0 -6 2 1449.76 31.13 0 6 2 1441.92 30.48 0 6 2 1454.42 37.07 0 -6 2 1473.42 33.99 0 6 2 1480.91 38.25 0 -6 2 1402.89 29.50 0 6 2 1452.48 32.26 0 6 2 1462.77 36.77 0 -6 2 1425.38 35.98 0 6 3 2.88 2.36 0 -6 3 -0.01 3.57 0 -6 3 -0.65 2.71 0 6 3 -2.53 3.45 0 -6 3 4.75 2.62 0 6 3 -1.37 3.57 0 -6 4 2418.10 54.31 0 6 4 2386.39 51.27 0 -6 4 2364.38 62.80 0 6 4 2449.14 56.92 0 -6 4 2435.06 48.70 0 -6 4 2443.80 53.55 0 6 4 2499.35 53.95 0 6 5 1.24 3.11 0 -6 5 0.59 3.95 0 -6 5 -0.22 4.07 0 -6 5 -4.77 4.16 0 -6 5 4.18 2.58 0 6 5 -0.78 2.83 0 6 5 1.42 3.43 0 6 6 448.69 19.61 0 -6 6 478.70 23.07 0 -6 6 455.64 16.02 0 -6 6 454.36 19.47 0 6 6 448.54 19.17 0 6 7 -1.38 4.36 0 -6 7 4.82 3.41 0 -6 7 -2.23 5.01 0 -6 7 2.71 3.97 0 -6 8 499.60 22.28 0 6 8 472.04 13.53 0 6 8 459.99 21.07 0 -6 8 485.59 17.92 0 6 9 2.09 1.44 0 -6 9 1.47 3.36 0 6 9 0.38 4.25 0 -6 9 -2.71 5.68 0 -6 10 1299.34 35.64 0 6 10 1224.68 40.03 0 -6 10 1316.50 42.20 0 6 10 1236.70 40.63 0 -6 11 -1.49 4.23 0 6 11 -1.16 5.29 0 -6 11 -8.54 6.06 0 6 11 -4.62 5.35 0 -6 12 327.47 17.69 0 6 12 344.62 21.38 0 -6 12 352.08 22.19 0 6 12 311.70 21.24 0 -6 13 -3.27 4.69 0 -6 13 2.33 6.88 0 6 13 -13.80 7.97 0 -6 14 53.16 8.62 0 -6 14 44.73 11.35 0 6 14 39.99 9.43 0 7 -14 1.45 7.24 0 -7 -14 -2.57 8.84 0 7 -13 473.57 28.54 0 -7 -13 515.43 34.88 0 -7 -12 22.17 9.98 0 7 -12 2.51 6.81 0 -7 -11 65.61 12.35 0 7 -11 61.25 10.62 0 -7 -10 -6.85 7.96 0 7 -10 -3.78 6.04 0 7 -9 531.33 11.39 0 7 -9 517.59 23.78 0 -7 -8 5.74 7.06 0 7 -8 3.66 4.05 0 7 -8 1.68 2.94 0 7 -8 0.25 1.84 0 -7 -7 1574.00 47.10 0 7 -7 1594.98 37.22 0 7 -7 1596.52 41.56 0 -7 -7 1615.50 49.44 0 7 -6 4.77 3.69 0 -7 -6 -2.24 4.61 0 7 -6 -2.88 2.33 0 -7 -6 2.99 5.55 0 -7 -6 -2.04 2.80 0 -7 -5 1159.22 37.76 0 -7 -5 1241.32 32.52 0 7 -5 1188.89 28.28 0 -7 -5 1248.94 37.34 0 7 -5 1233.71 31.11 0 -7 -4 3.96 3.20 0 7 -4 2.65 1.97 0 -7 -4 2.26 2.34 0 -7 -4 -1.91 4.26 0 -7 -4 0.60 5.54 0 7 -4 -2.37 3.67 0 -7 -3 199.86 10.99 0 7 -3 204.93 12.76 0 -7 -3 187.94 12.08 0 7 -3 205.07 10.25 0 -7 -3 204.84 13.87 0 -7 -3 201.16 9.99 0 7 -3 186.41 8.42 0 7 -3 205.67 12.15 0 -7 -2 -0.23 3.52 0 7 -2 -0.48 1.99 0 -7 -2 -1.51 2.05 0 7 -2 -1.60 2.48 0 -7 -2 -0.36 2.25 0 7 -2 1.36 2.65 0 -7 -2 11.08 5.74 0 -7 -2 1.10 3.34 0 7 -2 -2.29 4.34 0 -7 -1 3187.65 55.22 0 7 -1 2956.04 65.43 0 -7 -1 2978.67 65.63 0 -7 -1 2993.02 66.13 0 7 -1 2973.15 61.69 0 7 -1 2944.46 57.60 0 -7 -1 2926.02 57.43 0 7 -1 2952.01 57.78 0 -7 -1 3056.49 60.60 0 7 -1 3067.80 64.62 0 -7 0 0.25 2.42 0 -7 0 1.71 1.36 0 7 0 3.80 2.27 0 7 0 -4.87 3.43 0 -7 0 0.42 3.82 0 7 0 2.07 3.31 0 7 0 1.37 4.48 0 -7 0 7.40 4.21 0 -7 1 3272.52 57.07 0 7 1 3240.09 69.88 0 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11 48.77 9.69 0 7 11 68.02 11.52 0 7 11 64.78 10.69 0 -7 11 56.86 7.70 0 -7 12 -2.12 7.02 0 -7 12 -6.11 5.23 0 7 12 -1.04 5.09 0 7 12 -4.59 6.52 0 -7 13 449.83 21.94 0 7 13 434.71 26.32 0 -7 13 445.67 27.23 0 7 13 450.64 26.94 0 7 14 -2.99 8.32 0 8 -14 52.34 11.66 0 -8 -14 53.23 14.07 0 8 -13 3.14 6.74 0 -8 -13 3.13 9.58 0 -8 -12 164.07 19.66 0 8 -12 152.54 15.64 0 8 -11 4.73 5.37 0 -8 -11 -10.53 9.94 0 -8 -10 148.22 17.12 0 8 -10 165.06 14.12 0 8 -9 0.33 4.68 0 -8 -9 -1.10 6.61 0 8 -9 0.60 1.81 0 8 -8 250.38 15.05 0 -8 -8 249.70 18.84 0 8 -8 247.42 10.75 0 8 -8 252.05 12.70 0 -8 -7 5.13 6.90 0 8 -7 -1.43 2.81 0 8 -7 5.76 4.25 0 -8 -7 3.53 5.56 0 -8 -6 27.41 5.16 0 -8 -6 23.25 8.48 0 8 -6 19.76 3.62 0 8 -6 29.64 5.09 0 -8 -6 18.62 6.01 0 -8 -5 -2.60 2.95 0 -8 -5 3.13 4.33 0 8 -5 -2.21 2.44 0 8 -4 907.25 25.86 0 -8 -4 882.79 32.78 0 8 -4 969.66 32.22 0 -8 -4 1000.60 29.81 0 8 -4 960.34 23.90 0 -8 -4 922.55 26.48 0 -8 -3 2.89 3.93 0 8 -3 0.63 2.07 0 -8 -3 0.68 2.40 0 8 -3 3.70 3.94 0 -8 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9.37 6.86 0 9 -8 4.14 4.49 0 9 -8 4.17 3.14 0 9 -8 2.45 2.91 0 -9 -7 312.49 21.33 0 -9 -7 354.36 20.51 0 9 -7 389.12 17.72 0 9 -7 346.31 14.74 0 -9 -6 -1.30 4.99 0 -9 -6 5.00 6.60 0 9 -6 -0.53 2.47 0 9 -5 8.71 2.94 0 -9 -5 5.94 4.46 0 -9 -5 4.21 3.39 0 -9 -5 5.34 5.51 0 9 -5 -2.19 5.58 0 -9 -4 7.12 5.13 0 9 -4 -0.52 2.42 0 9 -4 4.30 3.34 0 -9 -4 0.88 3.17 0 -9 -4 5.52 3.03 0 -9 -4 -1.68 6.62 0 9 -4 2.60 4.61 0 -9 -3 146.64 13.41 0 9 -3 131.24 9.52 0 -9 -3 148.83 9.31 0 -9 -3 130.91 8.71 0 -9 -3 114.24 9.98 0 9 -3 123.90 7.78 0 9 -3 133.50 12.25 0 -9 -2 -0.49 3.73 0 9 -2 -0.93 2.82 0 9 -2 1.17 2.30 0 -9 -2 2.05 2.84 0 -9 -2 0.49 2.07 0 9 -2 -3.00 3.79 0 -9 -2 1.82 5.71 0 9 -2 -0.13 5.25 0 -9 -1 132.45 11.73 0 9 -1 133.42 10.28 0 -9 -1 151.78 6.78 0 -9 -1 143.63 9.78 0 9 -1 139.83 8.65 0 9 -1 126.83 11.80 0 -9 0 0.87 2.74 0 9 0 0.09 2.88 0 -9 0 2.83 1.47 0 9 0 4.40 4.14 0 -9 0 0.76 4.59 0 9 0 5.21 5.77 0 -9 1 105.13 7.59 0 9 1 121.16 8.24 0 -9 1 118.35 5.17 0 -9 1 109.15 11.26 0 9 1 117.20 10.65 0 -9 1 110.58 10.29 0 9 1 119.42 11.56 0 -9 2 0.78 2.67 0 9 2 5.20 3.46 0 -9 2 0.90 4.26 0 -9 2 1.77 4.76 0 -9 2 1.94 1.83 0 -9 2 4.71 3.91 0 9 2 4.55 4.55 0 -9 3 153.34 8.54 0 9 3 145.98 8.26 0 -9 3 141.58 10.77 0 -9 3 155.06 12.83 0 9 3 126.14 11.85 0 9 4 -0.56 2.43 0 -9 4 3.75 4.82 0 -9 4 1.11 2.57 0 -9 4 -0.22 3.65 0 9 4 0.51 4.44 0 9 5 8.39 3.39 0 -9 5 14.44 5.55 0 -9 5 12.76 3.96 0 -9 5 19.66 4.90 0 9 5 12.71 6.20 0 9 6 0.03 3.56 0 -9 6 1.73 4.74 0 -9 6 -2.73 3.52 0 -9 6 -0.84 3.62 0 9 6 -5.96 5.45 0 -9 7 386.27 21.18 0 -9 7 358.74 16.45 0 -9 7 361.26 20.54 0 9 7 337.78 19.86 0 -9 8 -9.71 6.83 0 9 8 -3.93 5.52 0 -9 8 -1.25 3.89 0 -9 9 45.53 9.07 0 9 9 44.87 8.77 0 -9 9 38.84 6.49 0 -9 10 -10.46 7.99 0 -9 10 -2.55 3.97 0 9 10 3.42 5.92 0 -9 11 43.16 10.52 0 9 11 37.72 8.40 0 9 11 45.98 9.87 0 -9 11 48.35 7.33 0 -9 12 9.32 8.43 0 9 12 12.72 7.98 0 9 12 -1.44 7.35 0 -9 13 23.76 9.96 0 9 13 26.18 8.18 0 9 13 12.05 9.10 0 -10 -13 -2.55 9.80 0 10 -13 1.50 6.49 0 -10 -12 203.11 20.49 0 10 -12 202.26 17.61 0 10 -11 -1.36 5.34 0 -10 -11 1.19 7.74 0 10 -10 844.31 32.96 0 -10 -10 886.69 38.78 0 -10 -9 1.01 6.43 0 10 -9 1.83 4.32 0 -10 -8 118.16 12.50 0 -10 -7 -4.55 6.56 0 -10 -7 6.92 5.73 0 10 -6 78.29 6.88 0 -10 -6 58.61 8.30 0 -10 -6 66.82 11.64 0 10 -6 75.22 10.42 0 10 -5 1.91 2.30 0 -10 -5 9.75 5.66 0 -10 -5 -8.64 4.17 0 -10 -5 -4.49 4.36 0 -10 -5 0.46 6.91 0 10 -5 3.25 5.73 0 -10 -4 2299.85 63.88 0 10 -4 2161.99 53.41 0 10 -4 2358.31 62.58 0 -10 -4 2548.36 45.13 0 -10 -4 2555.60 54.38 0 10 -4 2377.95 50.07 0 -10 -4 2339.86 53.12 0 -10 -4 2313.07 59.14 0 10 -3 -3.16 3.44 0 10 -3 1.22 2.65 0 -10 -3 0.56 4.16 0 -10 -3 0.07 2.59 0 10 -3 0.64 3.30 0 -10 -3 1.47 2.83 0 -10 -3 12.23 7.26 0 10 -3 0.27 5.72 0 10 -2 930.97 30.38 0 -10 -2 962.86 35.45 0 10 -2 904.65 34.33 0 -10 -2 1045.12 24.53 0 -10 -2 956.93 30.34 0 10 -2 984.32 27.74 0 -10 -2 943.50 27.15 0 -10 -1 3.90 3.51 0 -10 -1 4.23 1.89 0 10 -1 -3.55 3.83 0 10 -1 3.25 4.60 0 10 -1 0.42 3.25 0 10 0 91.15 7.24 0 -10 0 72.68 7.13 0 -10 0 77.46 9.83 0 10 0 74.06 10.13 0 -10 1 2.37 3.01 0 10 1 0.24 2.80 0 -10 1 -6.78 5.87 0 -10 1 3.61 4.28 0 -10 1 -0.23 4.46 0 10 1 -0.11 5.45 0 -10 2 1195.09 23.04 0 -10 2 1095.18 34.45 0 -10 2 1075.23 27.47 0 10 2 1107.72 29.56 0 -10 2 1178.13 38.12 0 10 2 1101.78 37.43 0 -10 2 1069.91 36.76 0 -10 3 3.28 4.47 0 -10 3 -1.06 1.91 0 -10 3 2.28 4.61 0 10 3 4.44 5.56 0 10 4 2282.58 50.32 0 -10 4 2352.85 56.28 0 -10 4 2318.02 60.67 0 10 4 2233.24 60.61 0 10 5 -0.64 3.38 0 -10 5 4.27 6.28 0 -10 5 -5.30 3.63 0 -10 5 -1.38 4.22 0 10 5 -1.50 4.59 0 10 6 21.91 5.18 0 -10 6 24.83 4.75 0 -10 6 22.87 6.89 0 -10 6 24.65 5.45 0 10 6 25.93 7.63 0 -10 7 -0.38 4.40 0 -10 7 0.48 5.46 0 10 7 -4.11 6.42 0 -10 7 -1.24 3.83 0 -10 8 61.16 10.78 0 10 8 56.01 10.03 0 -10 8 75.59 8.56 0 -10 9 5.73 6.85 0 -10 9 -5.28 4.82 0 10 9 1.39 5.57 0 10 10 833.67 36.02 0 -10 10 817.72 36.74 0 -10 10 839.36 29.45 0 10 11 5.72 7.20 0 -10 11 3.28 7.82 0 10 12 203.54 18.83 0 10 12 205.50 19.29 0 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9.31 0 12 -9 -6.42 6.97 0 -12 -9 4.94 6.56 0 -12 -8 112.72 14.23 0 -12 -8 106.10 14.89 0 12 -8 98.75 14.19 0 -12 -8 125.21 12.61 0 -12 -7 -2.70 7.28 0 -12 -7 -5.07 5.04 0 -12 -7 -1.28 7.32 0 12 -7 -4.31 7.71 0 -12 -6 255.82 21.15 0 12 -6 251.21 19.52 0 -12 -6 244.92 14.88 0 -12 -6 256.92 18.91 0 -12 -5 8.87 6.83 0 12 -5 -2.73 4.78 0 -12 -5 -0.60 3.26 0 -12 -5 -4.05 6.41 0 12 -5 3.53 8.37 0 -12 -4 492.88 27.62 0 12 -4 541.65 28.59 0 -12 -4 548.86 18.91 0 -12 -4 506.55 24.37 0 12 -4 483.34 20.82 0 -12 -3 3.73 4.76 0 -12 -3 0.53 2.99 0 12 -3 3.24 4.17 0 -12 -3 0.88 2.14 0 -12 -3 -7.88 6.42 0 12 -3 6.47 7.26 0 -12 -2 491.04 25.90 0 -12 -2 542.48 19.23 0 12 -2 483.80 26.14 0 -12 -2 535.43 21.97 0 12 -2 557.55 20.13 0 -12 -1 -0.77 4.02 0 -12 -1 -2.00 3.54 0 12 -1 5.85 3.68 0 -12 -1 2.00 6.05 0 12 -1 0.39 6.49 0 -12 0 32.93 5.97 0 -12 0 46.12 7.12 0 -12 0 43.00 8.36 0 12 0 43.95 9.88 0 12 0 49.74 6.41 0 -12 1 -0.17 3.18 0 12 1 -1.51 4.06 0 -12 1 -5.02 5.77 0 12 1 -1.22 6.57 0 -12 2 584.04 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9 6 -2 117.07 13.40 -9 -6 -1 22.37 9.88 9 6 -1 26.50 7.49 -9 6 -1 23.39 12.05 9 -6 -1 11.10 7.83 9 6 -1 40.85 10.24 9 -6 -1 11.36 7.77 -9 6 -1 17.61 8.15 9 6 -1 39.81 8.65 -9 6 -1 32.91 9.23 -9 -6 0 41.28 9.83 9 6 0 55.37 10.17 -9 6 0 32.78 10.05 9 -6 0 62.43 12.62 9 6 0 65.46 11.32 9 -6 0 65.52 12.11 -9 6 0 53.04 11.00 9 6 0 54.45 9.64 -9 6 0 48.50 10.45 -9 -6 1 27.29 11.04 9 -6 1 29.53 10.06 -9 6 1 14.99 9.99 9 6 1 27.92 9.52 9 -6 1 20.54 9.03 -9 6 1 16.29 9.08 9 6 1 33.05 8.49 -9 6 1 35.14 9.72 9 6 1 26.85 7.70 -9 6 2 104.73 15.72 -9 6 2 113.27 14.23 9 -6 2 90.76 14.50 9 6 2 84.96 12.01 -9 6 2 107.22 13.60 9 6 2 114.97 12.39 -9 6 3 0.93 7.00 9 6 3 8.60 5.58 -9 6 3 -1.25 6.08 9 -6 3 5.85 9.41 9 6 3 -8.44 7.82 -9 6 3 0.76 5.53 -9 6 4 54.94 13.84 9 6 4 46.94 8.74 -9 6 4 46.96 10.52 9 -6 4 57.06 12.90 9 6 4 32.88 8.73 -9 6 4 49.33 10.07 9 6 4 48.44 9.00 -9 6 5 21.12 10.99 9 -6 5 30.80 9.81 -9 6 5 15.77 6.63 9 6 5 42.23 9.51 -9 6 5 22.01 7.69 9 6 5 16.94 7.24 9 6 6 87.00 11.65 -9 6 6 121.59 13.50 9 6 7 9.10 6.55 9 6 8 71.45 11.64 -9 7 -7 9.37 6.51 9 -7 -7 -4.77 9.94 9 -7 -6 69.62 15.73 -9 7 -6 51.80 9.90 9 -7 -5 15.95 10.67 -9 7 -5 17.26 7.63 9 7 -5 8.67 7.44 -9 -7 -4 -12.77 9.89 9 7 -4 1.95 6.42 -9 7 -4 21.86 10.11 9 -7 -4 -5.59 9.15 -9 7 -4 2.39 8.09 9 -7 -4 -5.91 8.48 9 7 -4 13.10 7.89 -9 -7 -3 -4.07 8.19 9 7 -3 27.17 9.61 9 -7 -3 7.82 8.90 -9 7 -3 2.24 8.41 -9 7 -3 10.85 8.38 9 -7 -3 2.92 9.13 9 7 -3 1.24 6.19 -9 7 -3 -1.50 8.05 -9 -7 -2 101.63 16.28 9 7 -2 62.95 10.98 -9 7 -2 70.51 15.97 9 7 -2 61.67 9.89 9 -7 -2 69.29 14.54 9 -7 -2 84.10 15.06 -9 7 -2 67.94 10.89 9 7 -2 88.56 12.35 -9 7 -2 104.24 14.52 -9 -7 -1 8.48 9.20 9 7 -1 2.01 6.04 9 7 -1 6.35 6.83 -9 7 -1 12.19 7.31 9 -7 -1 14.92 9.23 9 -7 -1 10.71 7.42 -9 7 -1 5.94 6.86 -9 7 -1 15.82 8.67 9 7 -1 24.13 9.28 -9 -7 0 68.53 13.98 9 7 0 61.98 10.19 -9 7 0 69.53 13.68 9 -7 0 61.68 13.76 9 7 0 64.36 10.83 -9 7 0 60.69 10.42 9 -7 0 88.90 14.03 9 7 0 64.88 10.33 -9 7 0 43.72 10.09 -9 -7 1 11.40 8.25 9 -7 1 0.96 8.77 -9 7 1 0.88 8.68 9 7 1 -0.96 6.61 9 -7 1 9.32 9.54 -9 7 1 12.55 7.13 9 7 1 13.37 7.30 -9 7 1 4.08 6.60 9 7 1 -3.84 6.83 9 7 2 41.00 9.60 -9 7 2 61.30 12.84 9 -7 2 68.99 12.77 -9 7 2 50.63 10.94 9 7 2 57.12 9.84 -9 7 2 67.62 12.38 9 7 2 47.23 8.56 -9 7 3 14.64 9.32 9 7 3 2.04 5.86 -9 7 3 7.76 6.65 -9 7 3 7.56 7.19 9 -7 3 1.33 7.55 -9 7 4 26.13 9.87 9 7 4 11.65 6.06 9 -7 4 22.31 9.19 9 7 5 14.37 7.93 -9 7 5 14.37 7.81 -9 7 6 44.26 9.10 9 7 6 49.59 9.98 -9 8 -7 43.95 10.55 9 -8 -6 32.47 13.61 -9 8 -6 26.31 9.38 9 8 -5 142.65 17.08 -9 8 -5 144.28 15.93 9 -8 -5 168.84 21.09 9 8 -4 63.19 12.04 -9 8 -4 44.85 10.73 9 -8 -4 63.07 15.17 9 -8 -3 332.15 27.69 -9 8 -3 320.58 22.92 9 8 -3 343.96 24.13 9 8 -2 105.85 14.24 -9 -8 -2 77.87 13.74 -9 8 -2 69.62 12.35 9 -8 -2 58.08 13.28 9 -8 -2 70.96 14.02 -9 8 -1 64.40 14.80 9 -8 -1 35.65 11.13 -9 -8 -1 79.25 15.26 9 8 -1 42.50 9.48 9 -8 -1 54.28 12.11 -9 8 -1 54.90 10.83 -9 8 -1 68.33 11.88 -9 8 0 58.98 14.09 9 -8 0 49.05 12.28 -9 -8 0 45.71 11.51 9 8 0 60.09 10.91 9 -8 0 38.61 11.45 -9 8 0 43.46 9.50 -9 8 0 55.91 11.11 -9 8 1 60.71 13.08 9 -8 1 68.10 14.75 9 8 1 73.82 11.14 9 -8 1 71.12 14.85 -9 8 1 54.55 10.71 -9 -8 1 82.60 14.40 -9 8 2 54.85 10.10 9 -8 2 89.66 15.23 -9 8 3 368.29 24.61 -9 8 4 68.36 11.23 -9 8 5 138.54 15.07 -9 8 6 41.22 8.71 -9 -8 7 96.01 17.17 9 9 -4 74.20 13.51 9 9 -3 108.05 14.61 9 9 -2 75.87 12.08 9 9 -1 87.29 12.18 -9 9 2 71.21 12.10 -9 9 3 103.15 14.64 -9 9 4 57.69 11.66 -9 9 5 56.12 10.39 9 10 -4 25.60 10.31 9 10 -3 49.62 11.45 9 10 -2 54.58 10.84 -10 0 -7 55.77 15.20 -10 0 -6 47.09 13.30 -10 0 -5 20.20 10.36 10 0 -5 6.02 10.46 -10 0 -5 37.36 8.50 -10 0 -4 381.05 28.34 -10 0 -4 410.22 23.73 -10 0 -4 413.49 25.98 10 0 -4 450.48 34.11 10 0 -3 50.92 14.12 -10 0 -3 33.86 10.84 -10 0 -3 34.28 8.55 10 0 -3 30.27 10.37 -10 0 -3 75.18 12.32 -10 0 -3 32.31 10.07 10 0 -3 34.11 9.55 10 0 -2 278.03 20.37 10 0 -2 250.66 25.27 -10 0 -2 269.29 22.63 10 0 -2 290.47 23.10 -10 0 -2 277.40 20.76 -10 0 -2 322.55 22.70 10 0 -1 0.77 7.72 -10 0 -1 2.28 7.63 -10 0 -1 1.34 6.60 10 0 -1 10.16 10.78 10 0 -1 8.42 6.76 -10 0 -1 10.89 7.46 10 0 0 3.91 5.92 -10 0 0 -10.07 8.84 -10 0 0 7.22 8.30 10 0 0 -0.37 10.36 10 0 0 -0.40 7.31 -10 0 0 2.06 7.22 10 0 1 18.21 8.03 -10 0 1 11.60 7.49 10 0 1 -6.53 8.31 -10 0 1 15.16 8.20 10 0 1 14.38 11.43 -10 0 1 14.36 6.87 10 0 2 265.49 19.04 -10 0 2 250.65 20.46 10 0 2 247.23 19.70 -10 0 2 253.98 19.86 -10 0 2 302.19 21.87 10 0 3 40.32 8.80 -10 0 3 38.67 9.72 10 0 3 38.85 10.03 -10 0 3 36.02 9.88 -10 0 3 26.06 8.62 10 0 4 429.47 24.14 10 0 4 417.80 26.03 -10 0 4 393.71 26.02 -10 0 4 452.83 26.95 -10 0 4 445.10 26.62 10 0 5 23.11 10.05 -10 0 5 11.40 7.58 10 0 5 28.08 8.77 -10 0 5 15.76 8.57 -10 0 6 50.66 9.98 10 0 6 59.75 10.41 10 0 6 41.95 10.85 10 0 7 59.51 10.00 -10 1 -7 186.95 24.57 -10 -1 -7 161.54 20.95 -10 -1 -7 134.87 15.32 -10 1 -6 24.88 11.62 -10 -1 -6 30.13 10.99 -10 -1 -6 29.33 8.64 -10 -1 -5 65.79 11.49 -10 1 -5 56.47 13.07 -10 -1 -5 49.18 11.98 10 1 -5 64.84 15.55 -10 1 -5 49.62 10.11 -10 -1 -4 64.59 10.19 -10 1 -4 38.76 8.53 -10 1 -4 55.93 11.22 -10 1 -4 36.47 11.01 -10 -1 -4 36.53 10.07 10 -1 -4 62.32 15.48 10 1 -4 52.03 12.96 10 -1 -3 19.33 10.94 10 1 -3 17.17 12.15 -10 1 -3 5.21 8.90 -10 -1 -3 3.23 8.07 -10 -1 -3 11.65 7.25 10 -1 -3 3.54 8.77 10 1 -3 8.07 7.45 -10 1 -3 -1.73 8.06 10 1 -3 6.39 6.74 -10 -1 -3 -3.41 8.60 -10 1 -3 3.05 5.82 10 -1 -3 3.95 5.96 -10 1 -2 -0.07 9.31 -10 -1 -2 13.21 8.48 10 -1 -2 -0.47 9.64 10 1 -2 -16.19 12.50 -10 -1 -2 17.38 7.74 10 -1 -2 4.52 7.38 10 1 -2 -1.79 6.67 10 -1 -2 -0.14 6.80 -10 -1 -2 -3.78 7.69 -10 1 -2 -2.14 6.77 10 1 -2 1.42 5.40 -10 -1 -2 2.91 7.02 -10 1 -2 -3.58 8.41 10 -1 -2 3.02 5.77 -10 1 -1 168.56 16.96 -10 1 -1 159.44 18.17 -10 -1 -1 147.28 15.95 10 -1 -1 160.90 20.63 10 1 -1 179.13 20.98 -10 1 -1 157.44 16.50 10 -1 -1 156.07 16.29 -10 -1 -1 174.84 16.68 10 1 -1 174.78 15.87 -10 -1 -1 174.66 17.12 10 -1 -1 172.10 16.07 10 1 -1 169.88 17.30 -10 1 0 66.68 12.39 -10 -1 0 47.10 10.88 10 -1 0 74.14 15.45 10 1 0 57.32 13.53 10 1 0 58.06 10.61 -10 -1 0 83.27 12.47 -10 1 0 84.34 12.20 10 -1 0 82.77 11.45 -10 1 0 69.47 11.62 10 1 0 64.98 10.10 10 -1 0 60.27 10.29 -10 -1 0 73.59 11.35 10 -1 1 146.80 20.30 10 1 1 164.18 21.09 -10 1 1 169.71 18.51 -10 -1 1 143.26 15.37 10 1 1 168.45 16.09 -10 -1 1 146.41 15.45 -10 1 1 173.51 16.76 10 -1 1 153.04 15.65 -10 1 1 167.01 16.63 10 1 1 153.06 15.10 10 -1 1 192.48 18.09 -10 -1 1 166.82 16.42 -10 1 2 -1.70 6.52 -10 -1 2 3.87 5.90 10 1 2 6.55 7.02 -10 -1 2 6.27 7.49 -10 1 2 -1.34 6.86 10 -1 2 -9.55 7.16 -10 1 2 1.88 7.18 10 1 2 8.96 7.16 10 -1 2 -4.14 8.48 -10 -1 2 -3.98 8.36 -10 1 3 4.73 8.27 -10 -1 3 12.72 7.39 10 1 3 9.88 7.14 10 -1 3 10.08 7.14 -10 1 3 -11.75 7.93 -10 -1 3 8.59 6.17 10 1 3 10.07 7.87 -10 -1 3 4.37 8.02 -10 1 3 7.22 7.15 10 -1 3 16.99 7.54 10 1 4 42.56 10.18 -10 1 4 56.45 12.10 10 -1 4 42.39 10.87 -10 1 4 35.94 8.40 -10 -1 4 44.85 9.43 10 1 4 45.46 8.92 -10 -1 4 50.65 10.02 -10 1 4 44.01 10.18 10 -1 4 36.67 9.16 -10 -1 5 38.12 9.20 10 -1 5 49.71 11.11 10 1 5 51.62 10.76 10 1 5 53.36 9.86 -10 -1 5 56.84 11.34 -10 1 5 67.86 11.08 10 -1 5 49.78 9.00 10 1 6 18.69 8.49 10 1 6 6.94 6.03 -10 1 6 9.85 7.35 10 -1 6 5.83 6.54 10 1 7 147.26 14.58 -10 1 7 169.14 16.17 10 -1 7 165.86 15.06 -10 -2 -7 14.08 9.71 -10 -2 -6 46.67 10.83 -10 2 -6 53.98 13.94 -10 2 -5 36.59 12.23 -10 -2 -5 -0.86 7.40 10 2 -5 1.72 9.76 -10 -2 -5 14.67 7.71 -10 2 -5 25.76 8.83 -10 2 -4 -1.10 10.76 -10 -2 -4 5.03 6.68 10 2 -4 10.51 10.07 -10 2 -4 10.58 9.12 -10 -2 -4 -10.93 8.48 10 -2 -3 9.59 9.49 10 2 -3 -4.99 8.51 10 -2 -3 8.64 12.33 10 2 -3 -1.17 10.57 -10 2 -3 15.44 9.91 -10 -2 -3 5.16 6.64 -10 2 -3 0.24 7.52 -10 -2 -3 3.63 6.73 -10 -2 -2 52.61 11.12 -10 2 -2 54.52 12.81 -10 -2 -2 42.36 9.76 10 -2 -2 60.01 15.11 10 2 -2 28.67 10.59 -10 2 -2 55.24 11.08 10 -2 -2 52.56 11.32 10 2 -2 64.50 11.20 -10 -2 -2 38.62 10.17 -10 2 -2 48.32 10.59 10 -2 -2 56.83 10.59 10 2 -2 56.71 11.33 -10 2 -1 26.85 10.67 -10 -2 -1 0.49 6.05 10 -2 -1 13.77 8.84 10 2 -1 5.26 9.16 -10 2 -1 12.48 7.77 10 -2 -1 5.76 8.05 10 2 -1 6.04 5.24 -10 -2 -1 5.02 7.61 -10 2 -1 23.43 9.62 10 -2 -1 -0.38 6.35 10 2 -1 18.18 7.88 -10 2 0 49.89 11.21 -10 -2 0 36.15 9.49 10 -2 0 38.30 13.25 10 2 0 22.56 10.78 -10 2 0 39.83 8.60 10 -2 0 44.56 9.85 10 2 0 62.55 10.68 -10 -2 0 68.46 12.72 -10 2 0 39.59 9.50 10 -2 0 38.92 9.25 10 2 0 55.23 11.13 10 -2 1 0.47 10.67 10 2 1 -4.21 8.86 -10 2 1 13.06 9.50 -10 -2 1 3.89 6.12 10 2 1 17.25 7.02 -10 -2 1 -6.17 9.24 -10 2 1 23.30 7.91 10 -2 1 12.81 7.91 10 -2 1 12.82 7.82 -10 2 1 9.98 6.74 -10 -2 1 19.96 9.00 -10 2 2 37.69 10.77 -10 -2 2 44.94 9.98 10 2 2 53.32 10.14 10 -2 2 41.10 10.79 -10 2 2 47.81 10.40 -10 -2 2 39.85 9.86 -10 -2 2 35.12 8.89 10 2 2 24.25 6.89 -10 2 2 59.54 11.51 10 -2 2 49.59 10.75 10 2 3 8.52 7.55 -10 2 3 -2.14 7.29 10 -2 3 -8.07 8.76 -10 2 3 -9.92 7.35 -10 -2 3 4.78 7.68 -10 -2 3 -4.28 7.02 10 2 3 -6.61 6.58 -10 2 3 -1.91 6.33 10 -2 3 7.76 6.70 10 2 4 1.34 6.35 -10 2 4 -0.55 7.65 10 2 4 11.25 7.42 -10 -2 4 0.98 6.81 -10 2 4 3.78 6.17 10 -2 4 -11.43 8.33 10 -2 4 -1.34 7.38 -10 -2 4 3.12 7.18 10 2 5 37.60 10.49 10 2 5 17.94 7.40 -10 2 5 6.65 7.12 10 -2 5 18.66 6.96 10 -2 5 15.56 7.70 -10 -2 5 11.72 6.87 10 2 6 31.97 7.98 -10 2 6 47.21 10.44 10 -2 6 40.04 9.25 10 2 6 24.30 8.89 10 2 7 -4.44 7.65 -10 2 7 7.66 7.25 10 -2 7 16.92 6.90 -10 -3 -6 12.41 8.12 10 3 -6 -15.04 10.66 -10 -3 -5 70.60 13.47 10 3 -5 70.42 14.53 -10 3 -5 72.17 15.87 -10 3 -4 20.83 11.46 10 3 -4 9.83 9.08 -10 3 -4 -9.26 8.20 -10 -3 -4 -5.52 9.23 10 3 -3 112.10 15.32 10 3 -3 91.21 16.25 -10 3 -3 86.31 15.90 -10 3 -3 87.40 13.08 10 -3 -3 110.93 15.64 -10 -3 -3 78.73 13.16 -10 -3 -2 21.90 8.05 10 3 -2 -0.57 7.76 10 3 -2 -4.44 9.01 -10 3 -2 6.52 9.08 10 -3 -2 1.35 10.90 -10 3 -2 24.91 9.63 10 -3 -2 8.43 8.72 -10 3 -2 4.44 6.57 -10 -3 -1 94.06 13.74 -10 3 -1 67.53 13.67 10 -3 -1 97.26 17.19 10 3 -1 64.82 13.40 10 -3 -1 88.14 13.60 -10 3 -1 107.23 14.22 -10 -3 -1 87.28 12.85 10 -3 -1 102.74 13.83 10 3 -1 90.56 12.30 -10 3 -1 74.72 12.51 10 3 -1 89.14 12.93 -10 3 0 21.85 10.02 10 -3 0 13.24 12.28 10 3 0 19.17 11.56 10 -3 0 12.98 9.08 -10 3 0 15.43 7.08 -10 -3 0 21.18 8.15 10 -3 0 12.11 6.91 -10 3 0 6.32 7.76 10 3 0 11.28 8.03 10 3 0 8.61 7.41 10 -3 1 90.52 17.29 10 3 1 63.44 13.71 -10 3 1 63.91 13.50 10 -3 1 113.12 14.89 -10 3 1 75.63 11.66 -10 -3 1 85.40 12.67 10 -3 1 83.56 11.31 -10 3 1 116.66 14.58 10 3 1 102.44 12.88 10 3 1 89.68 12.88 -10 3 2 1.37 9.56 10 3 2 1.17 6.36 10 -3 2 -7.72 8.86 -10 3 2 6.68 7.35 -10 -3 2 -12.54 8.90 10 -3 2 1.34 6.14 -10 3 2 4.85 7.11 10 3 2 -5.25 7.23 10 3 3 98.73 12.86 -10 3 3 77.54 13.84 10 -3 3 102.04 13.96 10 -3 3 108.03 13.60 -10 3 3 106.04 13.73 10 3 3 112.03 13.16 10 3 4 0.22 7.27 -10 3 4 0.31 6.93 10 -3 4 8.85 7.40 10 -3 4 -2.24 6.46 -10 3 4 0.21 6.41 10 3 4 -6.34 6.72 10 -3 5 89.81 12.47 -10 3 5 105.26 13.94 10 3 5 59.65 10.26 10 3 5 78.63 12.36 -10 3 5 73.36 13.50 -10 3 6 3.68 6.73 10 3 6 17.77 7.58 10 3 6 -0.39 7.95 10 4 -6 77.08 14.68 -10 -4 -5 -12.38 10.05 10 4 -5 12.37 9.41 -10 4 -4 183.77 23.00 10 4 -4 180.20 20.75 10 -4 -4 149.64 19.50 -10 -4 -4 167.70 18.67 10 4 -3 -5.64 8.66 -10 4 -3 -18.39 12.05 10 4 -3 24.67 9.90 10 -4 -3 -1.63 8.83 -10 -4 -3 -14.04 10.85 10 4 -2 253.78 20.75 10 4 -2 245.15 23.24 -10 4 -2 224.02 23.11 10 -4 -2 219.03 21.20 -10 -4 -2 218.31 20.13 10 4 -1 -3.74 6.99 -10 4 -1 -6.74 10.38 10 4 -1 13.97 8.42 10 -4 -1 1.76 7.68 -10 -4 -1 5.77 6.99 -10 4 0 13.13 9.58 10 4 0 -6.32 8.27 10 -4 0 -2.56 8.81 10 -4 0 7.81 6.24 -10 4 0 0.25 8.10 10 4 0 10.76 7.49 -10 4 1 14.46 10.66 10 4 1 -9.29 9.16 10 4 1 -8.42 7.47 10 -4 1 -7.19 8.06 10 -4 1 6.60 7.09 -10 4 1 -12.03 8.66 -10 4 2 256.33 24.44 10 4 2 265.91 24.61 10 4 2 272.88 20.49 10 -4 2 249.01 21.66 -10 4 2 245.07 20.41 10 -4 2 243.41 18.81 -10 4 3 6.56 7.23 10 4 3 22.49 8.48 10 -4 3 6.34 8.11 10 -4 3 -0.26 6.90 -10 4 3 7.79 6.43 10 4 4 162.61 15.98 -10 4 4 161.78 19.31 10 -4 4 175.25 18.91 -10 4 4 197.57 17.81 -10 4 5 18.19 8.31 10 4 5 16.61 7.82 -10 4 6 80.67 12.04 10 4 6 67.85 12.01 10 5 -6 -1.14 9.15 10 -5 -5 95.97 15.92 10 5 -5 94.02 14.98 10 -5 -4 14.44 10.73 10 5 -4 5.88 8.97 10 5 -3 20.69 8.75 10 5 -3 33.04 9.56 -10 -5 -3 39.91 12.75 10 5 -2 11.27 7.60 10 5 -2 25.18 10.68 -10 5 -2 8.94 8.88 10 -5 -2 31.21 12.06 -10 -5 -2 34.76 12.49 10 5 -1 127.55 14.71 -10 5 -1 73.71 14.51 10 5 -1 83.88 13.77 10 -5 -1 103.89 15.84 -10 -5 -1 88.59 13.98 10 5 0 21.42 8.64 -10 5 0 2.06 11.40 10 5 0 -7.09 9.33 10 -5 0 5.92 7.99 -10 -5 0 10.60 9.03 10 -5 1 82.71 13.81 -10 5 1 88.69 16.34 10 5 1 121.80 16.55 10 5 1 101.26 13.22 -10 5 2 4.71 10.39 10 5 2 3.97 6.00 -10 5 2 -6.50 9.61 10 -5 2 -4.47 7.71 10 5 3 27.73 8.34 -10 5 3 35.20 9.77 10 -5 3 33.66 11.17 -10 5 4 0.95 6.24 -10 5 5 97.80 13.59 -10 5 6 6.57 7.60 10 5 6 -6.20 7.82 10 -6 -5 4.53 9.29 10 -6 -4 32.65 10.99 10 6 -3 32.04 10.61 10 6 -3 22.93 9.09 10 -6 -3 3.37 9.39 10 6 -2 73.53 12.55 10 6 -2 63.66 12.79 10 -6 -2 69.37 14.38 10 6 -1 28.20 9.86 10 -6 -1 11.43 8.23 10 6 -1 8.93 7.18 10 -6 0 221.12 21.78 10 6 0 211.63 20.48 10 6 0 205.48 18.31 10 -6 1 29.20 10.88 10 6 1 8.33 7.56 10 6 1 16.03 7.41 10 6 2 99.60 15.24 10 6 2 63.37 10.70 10 7 -2 -12.49 9.75 10 7 -1 63.21 12.00 10 7 0 21.55 8.27 10 7 1 55.61 10.63 10 8 -2 26.09 10.51 10 8 -1 0.95 8.58 -11 0 -4 35.96 12.75 -11 0 -3 7.72 8.60 -11 0 -2 16.39 9.27 -11 0 -1 14.62 8.42 -11 0 0 3.25 7.73 -11 0 1 -10.18 9.13 -11 0 2 -6.58 9.38 -11 0 3 -9.54 9.07 11 0 3 3.28 7.31 -11 -1 -3 14.19 7.25 -11 1 -3 1.35 9.56 -11 1 -2 6.37 8.77 -11 1 -1 67.70 12.60 -11 1 0 -0.86 8.52 -11 -1 0 -4.88 7.68 11 -1 1 97.05 14.68 -11 1 1 54.99 13.14 -11 -1 1 74.61 12.67 11 -1 2 32.40 10.91 -11 -1 2 10.89 8.43 11 -1 3 24.45 9.65 -11 1 3 36.49 12.05 -11 -1 3 37.39 10.23 -11 2 -1 101.10 16.45 11 -2 0 59.32 11.94 -11 2 0 57.01 13.79 11 -2 1 56.72 11.55 11 -2 2 78.77 13.25 11 -3 0 -15.87 10.80 11 -3 1 111.42 15.90 11 -4 -1 31.31 13.15 11 -4 0 11.44 8.71 0 0 0 0.00 0.00 TITL Mbromofuran_EtOh_100K in Pna2(1) REM Pna2(1) (#33, found as Pn2(1)a in a-cb setting) CELL 0.71073 8.226 13.408 12.222 90.00 90.00 90.00 ZERR 25.00 0.003 0.004 0.004 0.00 0.00 0.00 LATT -1 SYMM -x,-y, z+1/2 SYMM x+1/2,-y+1/2, z SYMM -x+1/2, y+1/2, z+1/2 SFAC C H O Br UNIT 25.00 25.00 25.00 25.00 REM CrysAlisPro recorded range (K): Min=99.9; max=100.1; aver:100.0 TEMP -173 TREF HKLF 4 END _computing_structure_solution 'SHELXT 2018/2 (Sheldrick, 2018)' ; _shelx_hkl_checksum 59411 _olex2_date_sample_data_collection 2022-01-05 _olex2_submission_special_instructions 'No special instructions were received' _oxdiff_exptl_absorpt_empirical_details ; Empirical correction (ABSPACK) includes: - Absorption correction using spherical harmonics - Frame scaling ; _oxdiff_exptl_absorpt_empirical_full_max 1.768 _oxdiff_exptl_absorpt_empirical_full_min 0.691 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, -y, z+1/2' 'x+1/2, -y+1/2, z' '-x+1/2, 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 _atom_site_refinement_flags_adp _atom_site_refinement_flags_occupancy _atom_site_disorder_assembly _atom_site_disorder_group Br2 Br 0.20026(3) 0.89190(2) 0.71508(3) 0.01983(8) Uani 1 1 d . . . . . Br1 Br 0.44383(3) 0.33814(2) 0.56968(3) 0.02011(8) Uani 1 1 d . . . . . O1 O 0.6098(2) 0.70586(15) 0.43522(17) 0.0140(4) Uani 1 1 d . . . . . C7 C 0.5619(3) 0.3957(2) 0.4504(3) 0.0161(7) Uani 1 1 d . . . . . C16 C 0.4526(3) 0.8525(2) 0.5620(3) 0.0148(6) Uani 1 1 d . . . . . H16 H 0.428198 0.785858 0.575078 0.018 Uiso 1 1 calc R U . . . C14 C 0.4056(4) 1.0273(2) 0.6014(3) 0.0182(7) Uani 1 1 d . . . . . H14 H 0.349651 1.076403 0.639725 0.022 Uiso 1 1 calc R U . . . C2 C 0.7845(4) 0.7104(2) 0.2956(3) 0.0169(7) Uani 1 1 d . . . . . H2 H 0.851840 0.690905 0.238309 0.020 Uiso 1 1 calc R U . . . C9 C 0.7261(4) 0.3782(3) 0.2921(3) 0.0230(7) Uani 1 1 d . . . . . H9 H 0.775868 0.338167 0.239741 0.028 Uiso 1 1 calc R U . . . C8 C 0.6361(4) 0.3339(2) 0.3753(3) 0.0199(7) Uani 1 1 d . . . . . H8 H 0.626297 0.264918 0.380111 0.024 Uiso 1 1 calc R U . . . C5 C 0.6674(4) 0.5423(2) 0.3631(3) 0.0147(6) Uani 1 1 d . . . . . C6 C 0.5737(3) 0.4987(2) 0.4461(2) 0.0147(6) Uani 1 1 d . . . . . H6 H 0.520488 0.538184 0.497348 0.018 Uiso 1 1 calc R U . . . C15 C 0.3713(4) 0.9270(2) 0.6175(3) 0.0173(7) Uani 1 1 d . . . . . C3 C 0.7600(4) 0.8093(3) 0.3334(3) 0.0174(7) Uani 1 1 d . . . . . H3 H 0.807739 0.866887 0.305574 0.021 Uiso 1 1 calc R U . . . C11 C 0.5729(4) 0.8787(2) 0.4855(3) 0.0153(6) Uani 1 1 d . . . . . C1 C 0.6915(3) 0.6496(2) 0.3584(3) 0.0146(6) Uani 1 1 d . . . . . C10 C 0.7428(4) 0.4803(2) 0.2858(3) 0.0192(7) Uani 1 1 d . . . . . H10 H 0.804447 0.508240 0.229895 0.023 Uiso 1 1 calc R U . . . C13 C 0.5261(4) 1.0523(3) 0.5262(3) 0.0198(7) Uani 1 1 d . . . . . H13 H 0.550814 1.119108 0.513922 0.024 Uiso 1 1 calc R U . . . C12 C 0.6090(4) 0.9797(2) 0.4700(3) 0.0181(7) Uani 1 1 d . . . . . H12 H 0.690107 0.997915 0.420857 0.022 Uiso 1 1 calc R U . . . C4 C 0.6528(3) 0.8037(2) 0.4184(3) 0.0151(6) Uani 1 1 d . . . . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 Br2 0.02329(14) 0.01841(15) 0.01781(15) -0.00050(16) 0.00313(15) 0.00139(12) Br1 0.02431(14) 0.01562(14) 0.02040(16) 0.00363(16) 0.00569(15) 0.00138(12) O1 0.0148(10) 0.0134(11) 0.0137(12) -0.0003(9) 0.0005(8) -0.0002(9) C7 0.0152(15) 0.0193(17) 0.0137(17) 0.0024(13) 0.0000(12) -0.0004(12) C16 0.0151(12) 0.0141(14) 0.0152(16) 0.0005(15) -0.0052(13) -0.0002(11) C14 0.0194(14) 0.0164(16) 0.0187(18) -0.0025(13) -0.0040(12) 0.0030(13) C2 0.0166(15) 0.0212(17) 0.0130(17) 0.0015(14) -0.0008(12) 0.0010(12) C9 0.0274(18) 0.0234(18) 0.0182(19) -0.0041(16) 0.0045(14) 0.0059(15) C8 0.0245(16) 0.0148(16) 0.0204(19) 0.0005(14) 0.0004(14) 0.0021(13) C5 0.0139(14) 0.0174(16) 0.0128(16) -0.0012(13) -0.0031(12) 0.0006(12) C6 0.0149(14) 0.0158(16) 0.0134(17) 0.0009(13) -0.0009(11) 0.0036(12) C15 0.0164(15) 0.0199(17) 0.0155(16) 0.0020(14) -0.0032(12) -0.0018(13) C3 0.0176(15) 0.0180(16) 0.0168(18) 0.0034(13) -0.0027(12) -0.0033(13) C11 0.0142(14) 0.0162(16) 0.0156(17) 0.0003(13) -0.0054(12) 0.0004(12) C1 0.0121(13) 0.0183(16) 0.0135(16) -0.0002(13) -0.0034(12) 0.0020(12) C10 0.0224(16) 0.0192(17) 0.0159(17) 0.0023(14) 0.0042(13) 0.0023(14) C13 0.0222(16) 0.0125(16) 0.0246(18) -0.0001(13) -0.0069(13) -0.0032(13) C12 0.0169(15) 0.0175(17) 0.0200(18) 0.0012(13) -0.0020(12) -0.0016(13) C4 0.0150(14) 0.0139(15) 0.0163(17) 0.0020(13) -0.0055(12) -0.0013(12) 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' O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle_publ_flag C4 O1 C1 107.1(2) . . ? C8 C7 Br1 119.3(2) . . ? C8 C7 C6 122.9(3) . . ? C6 C7 Br1 117.8(2) . . ? C15 C16 H16 120.4 . . ? C15 C16 C11 119.1(3) . . ? C11 C16 H16 120.4 . . ? C15 C14 H14 120.9 . . ? C15 C14 C13 118.1(3) . . ? C13 C14 H14 120.9 . . ? C3 C2 H2 126.3 . . ? C1 C2 H2 126.3 . . ? C1 C2 C3 107.3(3) . . ? C8 C9 H9 119.4 . . ? C10 C9 H9 119.4 . . ? C10 C9 C8 121.2(3) . . ? C7 C8 C9 117.7(3) . . ? C7 C8 H8 121.1 . . ? C9 C8 H8 121.1 . . ? C6 C5 C1 121.1(3) . . ? C6 C5 C10 118.8(3) . . ? C10 C5 C1 120.0(3) . . ? C7 C6 C5 118.8(3) . . ? C7 C6 H6 120.6 . . ? C5 C6 H6 120.6 . . ? C16 C15 Br2 119.1(2) . . ? C16 C15 C14 122.2(3) . . ? C14 C15 Br2 118.6(2) . . ? C2 C3 H3 126.6 . . ? C4 C3 C2 106.7(3) . . ? C4 C3 H3 126.6 . . ? C16 C11 C4 121.3(3) . . ? C12 C11 C16 118.8(3) . . ? C12 C11 C4 119.8(3) . . ? O1 C1 C5 116.6(3) . . ? C2 C1 O1 109.4(3) . . ? C2 C1 C5 134.0(3) . . ? C9 C10 C5 120.5(3) . . ? C9 C10 H10 119.7 . . ? C5 C10 H10 119.7 . . ? C14 C13 H13 119.6 . . ? C12 C13 C14 120.8(3) . . ? C12 C13 H13 119.6 . . ? C11 C12 H12 119.6 . . ? C13 C12 C11 120.9(3) . . ? C13 C12 H12 119.6 . . ? O1 C4 C11 117.3(3) . . ? C3 C4 O1 109.5(3) . . ? C3 C4 C11 133.1(3) . . ? 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 Br2 C15 1.904(3) . ? Br1 C7 1.914(3) . ? O1 C1 1.379(4) . ? O1 C4 1.374(4) . ? C7 C8 1.379(5) . ? C7 C6 1.385(4) . ? C16 H16 0.9300 . ? C16 C15 1.380(5) . ? C16 C11 1.406(5) . ? C14 H14 0.9300 . ? C14 C15 1.387(5) . ? C14 C13 1.393(5) . ? C2 H2 0.9300 . ? C2 C3 1.419(5) . ? C2 C1 1.357(4) . ? C9 H9 0.9300 . ? C9 C8 1.391(5) . ? C9 C10 1.378(5) . ? C8 H8 0.9300 . ? C5 C6 1.402(4) . ? C5 C1 1.453(5) . ? C5 C10 1.403(4) . ? C6 H6 0.9300 . ? C3 H3 0.9300 . ? C3 C4 1.365(5) . ? C11 C12 1.399(5) . ? C11 C4 1.456(5) . ? C10 H10 0.9300 . ? C13 H13 0.9300 . ? C13 C12 1.373(5) . ? C12 H12 0.9300 . ? loop_ _geom_torsion_atom_site_label_1 _geom_torsion_atom_site_label_2 _geom_torsion_atom_site_label_3 _geom_torsion_atom_site_label_4 _geom_torsion _geom_torsion_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion_publ_flag Br1 C7 C8 C9 -177.6(2) . . . . ? Br1 C7 C6 C5 176.3(2) . . . . ? C16 C11 C12 C13 -1.5(5) . . . . ? C16 C11 C4 O1 -2.1(4) . . . . ? C16 C11 C4 C3 173.2(3) . . . . ? C14 C13 C12 C11 0.9(5) . . . . ? C2 C3 C4 O1 0.1(3) . . . . ? C2 C3 C4 C11 -175.5(3) . . . . ? C8 C7 C6 C5 -1.1(5) . . . . ? C8 C9 C10 C5 -0.7(5) . . . . ? C6 C7 C8 C9 -0.1(5) . . . . ? C6 C5 C1 O1 -3.8(4) . . . . ? C6 C5 C1 C2 173.3(3) . . . . ? C6 C5 C10 C9 -0.6(5) . . . . ? C15 C16 C11 C12 1.5(5) . . . . ? C15 C16 C11 C4 -174.9(3) . . . . ? C15 C14 C13 C12 -0.2(5) . . . . ? C3 C2 C1 O1 -0.5(3) . . . . ? C3 C2 C1 C5 -177.7(3) . . . . ? C11 C16 C15 Br2 176.6(2) . . . . ? C11 C16 C15 C14 -0.8(5) . . . . ? C1 O1 C4 C3 -0.4(3) . . . . ? C1 O1 C4 C11 176.0(3) . . . . ? C1 C2 C3 C4 0.2(3) . . . . ? C1 C5 C6 C7 -176.5(3) . . . . ? C1 C5 C10 C9 177.4(3) . . . . ? C10 C9 C8 C7 1.0(5) . . . . ? C10 C5 C6 C7 1.5(4) . . . . ? C10 C5 C1 O1 178.2(3) . . . . ? C10 C5 C1 C2 -4.7(5) . . . . ? C13 C14 C15 Br2 -177.2(2) . . . . ? C13 C14 C15 C16 0.2(5) . . . . ? C12 C11 C4 O1 -178.4(3) . . . . ? C12 C11 C4 C3 -3.1(5) . . . . ? C4 O1 C1 C2 0.5(3) . . . . ? C4 O1 C1 C5 178.3(3) . . . . ? C4 C11 C12 C13 174.9(3) . . . . ? _cod_database_fobs_code 2300727