#------------------------------------------------------------------------------ #$Date: 2021-10-14 01:09:20 +0300 (Thu, 14 Oct 2021) $ #$Revision: 269923 $ #$URL: file:///home/coder/svn-repositories/cod/cif/7/12/91/7129106.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_7129106 loop_ _publ_author_name 'Taylor, Lauren L. K.' 'Vitorica-Yrezabal, I\~nigo J' 'Borilovi\'c, Ivana' 'Tuna, Floriana' 'Riddell, Imogen A.' _publ_section_title ; Self-assembly of a trigonal bipyramidal architecture with stabilisation of iron in three spin states. ; _journal_name_full 'Chemical communications (Cambridge, England)' _journal_paper_doi 10.1039/d1cc04413c _journal_year 2021 _chemical_formula_moiety 'C13 H10 Br N3' _chemical_formula_sum 'C13 H10 Br N3' _chemical_formula_weight 288.15 _space_group_crystal_system monoclinic _space_group_IT_number 14 _space_group_name_Hall '-P 2yn' _space_group_name_H-M_alt 'P 1 21/n 1' _atom_sites_solution_hydrogens geom _atom_sites_solution_primary dual _audit_creation_date 2019-08-01 _audit_creation_method ; Olex2 1.2 (compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506) ; _audit_update_record ; 2019-09-09 deposited with the CCDC. 2021-08-16 downloaded from the CCDC. ; _cell_angle_alpha 90 _cell_angle_beta 95.936(10) _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 11.4679(11) _cell_length_b 3.8858(4) _cell_length_c 24.813(3) _cell_measurement_reflns_used 1311 _cell_measurement_temperature 150 _cell_measurement_theta_max 23.4430 _cell_measurement_theta_min 4.0910 _cell_volume 1099.8(2) _computing_cell_refinement 'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)' _computing_data_collection 'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)' _computing_data_reduction 'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)' _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 (Sheldrick, 2015)' _diffrn_ambient_temperature 150 _diffrn_detector 'CCD plate' _diffrn_detector_area_resol_mean 5.1636 _diffrn_detector_type Atlas _diffrn_measured_fraction_theta_full 0.997 _diffrn_measured_fraction_theta_max 0.854 _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 -64.00 32.00 1.00 57.57 -- 10.40 -37.00 150.00 96 2 \w -25.00 37.00 1.00 57.57 -- 10.40 89.00 70.00 62 3 \w -14.00 76.00 1.00 57.57 -- 10.40 37.00 -30.00 90 ; _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 0.0234564000 _diffrn_orient_matrix_UB_12 0.0016668000 _diffrn_orient_matrix_UB_13 -0.0253556000 _diffrn_orient_matrix_UB_21 -0.0251942000 _diffrn_orient_matrix_UB_22 0.1644257000 _diffrn_orient_matrix_UB_23 -0.0056469000 _diffrn_orient_matrix_UB_31 0.0518193000 _diffrn_orient_matrix_UB_32 0.0791112000 _diffrn_orient_matrix_UB_33 0.0122898000 _diffrn_radiation_monochromator graphite _diffrn_radiation_probe x-ray _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0768 _diffrn_reflns_av_unetI/netI 0.1138 _diffrn_reflns_Laue_measured_fraction_full 0.997 _diffrn_reflns_Laue_measured_fraction_max 0.854 _diffrn_reflns_limit_h_max 11 _diffrn_reflns_limit_h_min -15 _diffrn_reflns_limit_k_max 5 _diffrn_reflns_limit_k_min -4 _diffrn_reflns_limit_l_max 31 _diffrn_reflns_limit_l_min -27 _diffrn_reflns_number 7336 _diffrn_reflns_point_group_measured_fraction_full 0.997 _diffrn_reflns_point_group_measured_fraction_max 0.854 _diffrn_reflns_theta_full 25.242 _diffrn_reflns_theta_max 29.652 _diffrn_reflns_theta_min 3.572 _diffrn_source 'fine-focus sealed X-ray tube' _diffrn_source_type 'Enhance (Mo) X-ray Source' _exptl_absorpt_coefficient_mu 3.715 _exptl_absorpt_correction_T_max 1.00000 _exptl_absorpt_correction_T_min 0.85956 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details ; CrysAlisPro 1.171.39.46 (Rigaku Oxford Diffraction, 2018) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm. ; _exptl_crystal_colour 'clear light colourless' _exptl_crystal_colour_lustre clear _exptl_crystal_colour_modifier light _exptl_crystal_colour_primary colourless _exptl_crystal_density_diffrn 1.740 _exptl_crystal_description plate _exptl_crystal_F_000 576 _exptl_crystal_size_max 0.2 _exptl_crystal_size_mid 0.2 _exptl_crystal_size_min 0.08 _refine_diff_density_max 1.148 _refine_diff_density_min -0.564 _refine_diff_density_rms 0.143 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.063 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 155 _refine_ls_number_reflns 2657 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 1.063 _refine_ls_R_factor_all 0.1171 _refine_ls_R_factor_gt 0.0696 _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^)+(0.0459P)^2^] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.1151 _refine_ls_wR_factor_ref 0.1324 _reflns_Friedel_coverage 0.000 _reflns_number_gt 1786 _reflns_number_total 2657 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file d1cc04413c2.cif _cod_data_source_block oir3 _cod_database_code 7129106 _shelxl_version_number 2014/6 _shelx_space_group_comment ; The symmetry employed for this shelxl refinement is uniquely defined by the following loop, which should always be used as a source of symmetry information in preference to the above space-group names. They are only intended as comments. ; _shelx_estimated_absorpt_t_max 0.755 _shelx_estimated_absorpt_t_min 0.524 _reflns_odcompleteness_completeness 99.58 _reflns_odcompleteness_iscentric 1 _reflns_odcompleteness_theta 26.32 _olex2_refinement_description ; 1. Others Fixed Uiso: H1(0.027) H3(0.028) H7A(0.036) H7B(0.036) H7C(0.036) H10(0.031) H9(0.028) H4(0.026) H11(0.033) H12(0.027) Fixed X: H1(0.956) H3(0.6406) H7A(0.8483) H7B(0.8365) H7C(0.8766) H10(0.5095) H9(0.6884) H4(0.5549) H11(0.3356) H12(0.3349) Fixed Y: H1(0.2767) H3(0.0086) H7A(0.906) H7B(0.8552) H7C(0.54) H10(1.0199) H9(0.9564) H4(0.2203) H11(0.8137) H12(0.5445) Fixed Z: H1(0.5318) H3(0.5771) H7A(0.4009) H7B(0.3366) H7C(0.3757) H10(0.2158) H9(0.269) H4(0.4934) H11(0.2454) H12(0.3292) ; _shelx_res_file ; TITL oir3_a.res in P2(1)/n REM Old TITL oir3 in P2(1)/n REM SHELXT solution in P2(1)/n REM R1 0.122, Rweak 0.051, Alpha 0.054, Orientation as input REM Formula found by SHELXT: C13 N3 Br CELL 0.71073 11.4679 3.8858 24.8126 90 95.936 90 ZERR 4 0.0011 0.0004 0.0031 0 0.01 0 LATT 1 SYMM 0.5-X,0.5+Y,0.5-Z SFAC C H Br N UNIT 52 40 4 12 L.S. 4 0 0 PLAN 20 SIZE 0.2 0.2 0.08 TEMP -123.15 BOND $H list 4 fmap 2 53 ACTA REM REM REM WGHT 0.045900 FVAR 0.41018 BR1 3 0.882313 -0.037518 0.628170 11.00000 0.02839 0.02761 = 0.02144 0.00485 -0.00338 -0.00218 N2 4 0.704291 0.643269 0.372193 11.00000 0.01803 0.02177 = 0.01637 -0.00143 0.00227 0.00075 N1 4 0.825292 0.384361 0.475301 11.00000 0.01994 0.02925 = 0.01685 0.00495 0.00279 0.00222 N3 4 0.535246 0.447622 0.400323 11.00000 0.01788 0.02301 = 0.01955 -0.00021 0.00121 -0.00186 C2 1 0.807946 0.123824 0.561285 11.00000 0.02096 0.01780 = 0.02030 -0.00244 -0.00159 -0.00202 C1 1 0.873305 0.263918 0.523562 11.00000 0.01663 0.02667 = 0.02398 0.00248 -0.00192 -0.00690 AFIX 43 H1 2 0.955962 0.276733 0.531761 11.00000 -1.20000 AFIX 0 C5 1 0.707989 0.363159 0.465472 11.00000 0.02417 0.01233 = 0.01625 -0.00292 0.00351 -0.00055 C3 1 0.687158 0.103630 0.551260 11.00000 0.02716 0.02240 = 0.02298 0.00332 0.00976 -0.00177 AFIX 43 H3 2 0.640588 0.008568 0.577069 11.00000 -1.20000 AFIX 0 C7 1 0.826424 0.744411 0.371291 11.00000 0.02309 0.03061 = 0.01830 0.00611 0.00505 -0.00180 AFIX 137 H7A 2 0.848315 0.906027 0.400940 11.00000 -1.50000 H7B 2 0.836544 0.855223 0.336602 11.00000 -1.50000 H7C 2 0.876556 0.540009 0.375726 11.00000 -1.50000 AFIX 0 C6 1 0.650239 0.485249 0.413195 11.00000 0.02157 0.01748 = 0.01669 -0.00226 0.00435 -0.00183 C10 1 0.511919 0.910080 0.250059 11.00000 0.03415 0.02778 = 0.01322 0.00022 -0.00281 0.00362 AFIX 43 H10 2 0.509535 1.019886 0.215755 11.00000 -1.20000 AFIX 0 C8 1 0.616661 0.714796 0.331394 11.00000 0.02626 0.01626 = 0.01574 -0.00440 0.00204 0.00080 C9 1 0.617603 0.874884 0.281190 11.00000 0.02798 0.01960 = 0.02451 0.00079 0.01014 0.00318 AFIX 43 H9 2 0.688400 0.956414 0.268965 11.00000 -1.20000 AFIX 0 C13 1 0.512816 0.593674 0.349583 11.00000 0.02618 0.01884 = 0.01662 -0.00660 0.00122 -0.00071 C4 1 0.637495 0.227808 0.502093 11.00000 0.01713 0.02443 = 0.02310 0.00330 0.00023 -0.00097 AFIX 43 H4 2 0.554885 0.220266 0.493421 11.00000 -1.20000 AFIX 0 C11 1 0.407101 0.786543 0.268022 11.00000 0.03728 0.02911 = 0.01289 -0.00107 -0.01004 0.00868 AFIX 43 H11 2 0.335604 0.813733 0.245434 11.00000 -1.20000 AFIX 0 C12 1 0.405810 0.628037 0.317315 11.00000 0.02124 0.03066 = 0.01613 -0.00417 0.00086 0.00025 AFIX 43 H12 2 0.334894 0.544520 0.329159 11.00000 -1.20000 AFIX 0 HKLF 4 REM oir3_a.res in P2(1)/n REM R1 = 0.0696 for 1786 Fo > 4sig(Fo) and 0.1171 for all 2657 data REM 155 parameters refined using 0 restraints END WGHT 0.0460 0.0000 REM Highest difference peak 1.148, deepest hole -0.564, 1-sigma level 0.143 Q1 1 0.8007 -0.0176 0.6426 11.00000 0.05 1.15 Q2 1 0.9658 0.0291 0.6176 11.00000 0.05 0.88 Q3 1 0.9426 -0.0735 0.6046 11.00000 0.05 0.81 Q4 1 0.8665 0.1740 0.6582 11.00000 0.05 0.64 Q5 1 0.9756 1.0405 0.4012 11.00000 0.05 0.63 Q6 1 0.8974 0.2238 0.6406 11.00000 0.05 0.61 Q7 1 0.9025 -0.2926 0.6356 11.00000 0.05 0.56 Q8 1 0.6811 0.1865 0.4629 11.00000 0.05 0.53 Q9 1 0.7387 0.0172 0.6597 11.00000 0.05 0.52 Q10 1 0.9132 -0.2737 0.6006 11.00000 0.05 0.50 Q11 1 0.8599 -0.5287 0.6420 11.00000 0.05 0.48 Q12 1 0.9393 0.1974 0.6012 11.00000 0.05 0.47 Q13 1 0.8463 0.3391 0.6780 11.00000 0.05 0.47 Q14 1 0.8281 -0.3091 0.6584 11.00000 0.05 0.46 Q15 1 0.8458 0.4746 0.5836 11.00000 0.05 0.44 Q16 1 0.6653 0.2695 0.4214 11.00000 0.05 0.44 Q17 1 0.8864 0.1694 0.6091 11.00000 0.05 0.44 Q18 1 0.6084 0.3465 0.3986 11.00000 0.05 0.43 Q19 1 0.8246 0.2997 0.6189 11.00000 0.05 0.42 Q20 1 0.6528 0.8956 0.4433 11.00000 0.05 0.42 ; _shelx_res_checksum 62517 _shelx_hkl_file ; 0 0 5 -0.02 7.50 0 0 -5 -8.76 7.10 0 0 6 47.81 10.59 0 0 -6 58.46 11.04 0 0 7 21.64 11.43 0 0 -7 2.78 8.80 0 0 8 4078.20 105.56 0 0 -8 4055.32 107.73 0 0 9 78.30 18.70 0 0 -9 44.21 16.91 0 0 10 357.98 29.33 0 0 -10 348.69 30.04 0 0 11 48.76 16.14 0 0 -11 15.36 13.88 0 0 12 1237.35 59.71 0 0 -12 1148.63 60.75 0 0 -13 38.79 18.04 0 0 13 95.60 21.87 0 0 -14 8.18 15.13 0 0 14 11.95 12.71 0 0 -15 -8.32 11.31 0 0 15 15.41 14.61 0 0 -16 715.14 54.12 0 0 16 781.93 54.45 0 0 17 45.71 17.73 0 0 -17 34.49 17.52 0 0 -18 141.97 28.38 0 0 18 152.19 27.51 0 0 -19 32.08 15.91 0 0 19 -5.10 12.26 0 0 20 772.43 60.12 0 0 21 26.66 22.53 0 0 22 169.17 30.67 0 0 23 41.20 25.03 0 0 24 414.49 51.95 0 0 25 29.39 20.79 0 0 26 243.64 41.09 0 0 27 60.09 25.21 0 0 28 191.77 38.49 0 0 29 6.42 19.36 0 0 30 107.42 32.40 0 1 0 14.95 10.39 0 1 0 9.24 5.43 0 -1 0 7.91 11.87 0 -1 0 -3.63 4.61 0 1 1 100.45 14.85 0 1 -1 104.54 9.99 0 -1 1 89.01 9.97 0 -1 -1 85.51 8.63 0 -1 -1 118.91 17.36 0 -1 1 87.01 15.16 0 1 1 93.38 9.16 0 1 -1 108.40 14.77 0 -1 -2 616.72 23.58 0 1 2 571.27 30.90 0 -1 -2 606.09 32.09 0 -1 2 604.90 31.76 0 1 -2 557.11 30.78 0 1 2 644.10 24.31 0 1 -2 627.97 26.14 0 -1 -3 458.47 29.16 0 1 3 482.74 21.35 0 -1 3 473.55 28.08 0 1 3 457.25 27.37 0 1 -3 495.55 23.97 0 -1 -3 463.67 20.90 0 1 -3 448.64 24.10 0 1 -3 437.53 26.79 0 -1 -4 299.65 17.75 0 1 -4 305.00 20.45 0 1 4 300.17 22.15 0 1 -4 280.56 21.86 0 1 4 329.51 18.60 0 1 4 341.48 21.75 0 1 -5 369.67 23.27 0 1 -5 368.28 24.71 0 -1 -5 407.96 22.25 0 1 5 467.46 26.18 0 1 5 415.72 27.48 0 -1 5 370.38 24.39 0 -1 6 129.93 15.94 0 1 6 144.87 15.84 0 -1 -6 147.28 14.50 0 1 6 172.15 17.31 0 1 -6 155.58 16.66 0 1 -6 140.30 16.11 0 -1 -7 274.68 20.83 0 1 7 287.08 24.26 0 -1 7 292.79 24.59 0 1 -7 286.53 24.02 0 1 7 353.77 24.08 0 1 -7 248.83 20.96 0 -1 -7 315.38 24.17 0 1 8 14.80 9.38 0 1 -8 25.70 10.91 0 1 8 6.63 9.59 0 -1 8 11.89 8.99 0 -1 -8 11.91 9.55 0 1 -8 5.94 9.22 0 1 9 364.50 25.27 0 1 -9 317.10 23.67 0 -1 -9 370.58 29.24 0 1 9 326.67 29.30 0 -1 9 319.20 27.88 0 1 -9 355.68 29.83 0 -1 -10 18.69 10.90 0 1 10 34.92 14.58 0 1 -10 14.59 9.67 0 1 10 12.72 8.69 0 1 -10 13.52 11.93 0 -1 10 32.01 12.73 0 -1 11 1828.88 74.20 0 1 11 1845.22 74.72 0 1 11 1992.75 59.96 0 1 -11 1822.87 59.06 0 -1 -11 1758.58 76.80 0 1 -11 1855.27 76.43 0 -1 -12 178.52 25.62 0 1 12 174.39 27.14 0 1 -12 144.39 23.39 0 1 -12 161.27 16.12 0 1 12 157.51 16.53 0 -1 12 133.39 22.84 0 -1 13 120.38 21.38 0 1 -13 122.44 14.65 0 1 13 97.96 12.25 0 -1 -13 118.80 21.42 0 1 -13 159.69 24.87 0 1 13 91.70 20.23 0 1 -14 16.19 8.68 0 1 -14 27.83 16.93 0 1 14 22.30 8.39 0 -1 -14 37.64 15.46 0 -1 14 38.48 18.65 0 1 14 33.80 16.45 0 1 15 1296.23 43.85 0 1 -15 1321.28 73.15 0 1 15 1303.07 72.40 0 -1 -15 1226.29 67.83 0 -1 15 1251.33 67.20 0 1 -15 1369.62 46.36 0 1 -16 35.07 8.93 0 -1 16 56.16 20.93 0 1 16 44.66 9.28 0 1 -16 23.16 14.20 0 -1 -16 52.07 20.55 0 1 16 53.00 20.07 0 -1 -17 470.49 46.40 0 1 17 479.53 45.37 0 1 -17 542.10 26.05 0 1 17 491.72 24.11 0 -1 17 489.72 44.50 0 1 -17 548.71 50.85 0 -1 18 42.48 20.61 0 -1 -18 23.68 16.73 0 1 18 10.16 16.20 0 1 -18 22.79 18.30 0 -1 19 236.59 34.47 0 1 19 199.79 32.61 0 -1 20 24.14 18.53 0 1 20 12.91 18.16 0 -1 21 24.51 15.18 0 1 21 60.98 20.64 0 1 22 -1.97 16.18 0 -1 22 39.37 20.64 0 -1 23 374.85 45.08 0 1 23 342.00 45.07 0 1 24 57.26 23.24 0 -1 24 27.83 18.75 0 1 25 3.84 14.72 0 -1 25 53.10 25.07 0 -1 26 28.23 20.16 0 1 26 4.90 17.83 0 -1 27 264.71 46.01 0 1 27 224.36 40.41 0 1 28 2.19 17.87 0 -1 28 44.36 24.23 0 1 29 45.46 25.51 0 -1 29 22.54 22.78 0 1 30 18.30 20.56 0 -1 30 31.07 23.79 0 -2 0 635.93 33.31 0 2 0 623.07 32.85 0 2 0 619.61 44.80 0 2 -1 34.68 15.88 0 -2 1 41.27 10.27 0 2 1 58.12 18.08 0 -2 -1 50.92 11.55 0 2 1 48.12 10.47 0 2 -1 47.77 10.66 0 2 2 4.31 7.16 0 -2 -2 7.34 6.88 0 2 -2 -11.46 13.56 0 2 2 28.81 14.93 0 2 -2 5.49 8.79 0 2 -3 44.06 15.78 0 2 3 59.14 11.13 0 2 3 68.96 18.99 0 2 -3 51.89 11.56 0 -2 -3 54.50 10.87 0 2 4 1691.82 74.44 0 2 4 1538.59 54.49 0 2 -4 1711.62 64.13 0 2 -4 1677.40 74.59 0 2 -4 1575.68 59.37 0 -2 -4 1559.21 55.07 0 2 5 1996.22 64.32 0 -2 -5 2022.58 65.33 0 2 -5 2145.89 86.20 0 2 5 2161.29 85.33 0 2 -5 2091.76 73.72 0 2 -5 2054.08 71.80 0 2 6 124.54 15.08 0 2 -6 161.55 19.92 0 2 -6 190.75 26.40 0 -2 -6 142.06 16.38 0 2 -6 167.59 20.55 0 2 6 170.77 20.26 0 2 6 164.53 24.94 0 -2 -7 91.60 14.64 0 2 7 101.78 17.67 0 2 -7 97.42 17.38 0 2 -7 95.76 16.27 0 2 -7 79.55 18.26 0 2 7 57.41 16.29 0 2 8 384.33 35.42 0 -2 -8 383.91 28.35 0 2 8 381.28 31.93 0 2 -8 395.77 32.44 0 2 -8 396.36 36.86 0 2 -8 387.92 31.62 0 2 -9 65.33 18.04 0 2 -9 54.56 14.56 0 2 9 32.76 13.50 0 -2 -9 58.75 13.83 0 2 9 30.88 12.62 0 2 10 26.24 13.91 0 -2 -10 -2.56 6.95 0 2 10 4.72 9.96 0 2 -10 -1.03 15.17 0 2 -10 16.40 10.15 0 2 11 28.90 12.35 0 2 -11 39.98 14.21 0 -2 -11 33.58 10.99 0 2 11 22.57 9.78 0 2 -11 44.51 15.51 0 2 12 467.47 38.41 0 2 12 446.83 39.08 0 2 -12 430.76 37.26 0 -2 -12 423.78 34.25 0 2 -12 479.11 41.21 0 2 13 197.86 29.22 0 2 -13 177.49 26.68 0 -2 -13 152.51 22.02 0 2 -13 195.98 24.50 0 2 13 183.62 26.48 0 2 -14 34.56 10.96 0 2 -14 19.38 12.12 0 2 14 46.15 17.20 0 -2 -14 24.38 12.04 0 2 14 43.75 14.56 0 -2 14 36.72 19.01 0 2 -15 49.42 13.92 0 -2 15 9.62 12.55 0 2 -15 46.94 17.04 0 2 15 63.12 21.01 0 2 15 14.86 10.49 0 -2 -15 59.02 17.08 0 2 16 202.05 31.98 0 -2 -16 209.07 28.40 0 2 -16 255.74 35.96 0 -2 16 149.25 28.45 0 2 -16 214.66 26.26 0 2 16 227.44 28.03 0 2 17 207.68 34.65 0 -2 17 142.33 28.51 0 2 17 203.77 25.97 0 2 -17 201.56 25.63 0 -2 -17 184.98 29.01 0 -2 -18 123.68 23.98 0 2 18 160.99 31.89 0 2 -18 117.45 19.81 0 -2 18 92.57 24.13 0 2 18 136.19 21.34 0 2 -19 49.42 14.98 0 2 19 33.98 21.84 0 2 19 32.07 12.57 0 -2 19 75.40 23.88 0 2 20 93.04 17.91 0 -2 20 79.44 24.84 0 2 -20 51.18 15.54 0 2 20 43.10 22.53 0 -2 21 93.65 25.06 0 2 21 105.92 28.09 0 2 -21 139.77 21.07 0 2 21 127.46 20.01 0 2 22 62.51 23.69 0 2 22 32.37 12.23 0 -2 22 30.83 18.57 0 -2 23 40.87 20.95 0 2 23 28.52 21.78 0 -2 24 109.89 29.76 0 2 24 118.28 31.35 0 -2 25 15.51 16.43 0 2 25 30.66 20.64 0 2 26 73.05 27.45 0 -2 26 106.33 32.30 0 -2 27 -3.38 18.94 0 2 27 84.86 30.73 0 -2 28 98.27 29.91 0 2 28 88.85 30.06 0 2 29 13.18 24.86 0 3 0 20.36 11.71 0 3 1 190.26 21.79 0 -3 -1 202.92 22.86 0 3 -1 231.62 24.72 0 -3 -2 282.06 26.06 0 3 -2 273.84 26.82 0 3 2 310.57 27.51 0 -3 -3 281.62 26.18 0 3 3 256.07 24.95 0 3 -3 230.66 25.06 0 3 4 6.21 9.66 0 3 -4 3.07 9.38 0 3 -4 8.72 10.19 0 -3 -4 0.64 7.76 0 3 -5 49.66 14.11 0 3 -5 60.23 17.25 0 3 5 48.47 11.62 0 -3 -5 74.95 15.09 0 3 -6 240.79 28.48 0 -3 -6 249.65 25.13 0 3 -6 302.47 32.28 0 3 6 281.67 26.73 0 -3 -7 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45.76 16.35 1 4 3 28.24 11.22 -1 4 -4 109.40 22.98 1 4 4 133.05 25.31 1 4 4 111.97 17.99 1 4 5 36.86 14.95 -1 4 -5 30.14 15.50 1 4 6 158.23 26.78 -1 4 -6 128.79 23.51 1 4 7 20.81 13.91 -1 4 -7 36.23 17.66 -1 4 -8 144.28 28.35 1 4 8 162.80 27.20 1 4 9 173.39 29.45 -1 4 -9 203.26 33.45 1 4 10 62.75 20.91 -1 4 -10 43.61 16.89 -1 4 -11 -15.71 12.73 1 4 11 23.33 18.33 1 4 12 41.10 19.07 -1 4 -12 19.25 17.54 -1 4 -13 70.75 24.37 1 4 13 86.85 24.48 -1 4 -14 74.76 24.92 1 4 14 123.72 28.64 -1 4 -15 90.07 28.03 1 4 15 86.12 25.00 -1 4 -16 61.34 26.86 1 4 16 44.82 19.89 -1 4 -17 9.39 15.77 1 4 17 67.44 25.71 1 4 18 27.79 22.00 -1 4 -18 19.08 19.52 -1 4 -19 34.53 20.36 1 4 19 1.87 15.46 1 4 20 67.15 29.62 -1 4 -20 34.68 22.88 1 4 21 31.42 21.54 -1 4 -21 54.34 27.85 1 4 22 18.58 21.46 -1 5 9 23.79 17.49 -1 5 8 14.22 16.34 -1 5 7 8.37 14.18 -1 5 6 -19.48 18.09 -1 5 5 89.54 26.36 -2 0 31 29.15 21.16 -2 0 30 91.55 30.55 -2 0 29 28.15 17.37 -2 0 28 205.98 40.22 -2 0 27 10.48 18.96 -2 0 26 223.75 40.71 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9.62 -2 0 -2 917.06 30.44 -2 0 -2 821.73 28.70 2 0 2 839.05 29.50 2 0 3 -5.58 6.24 -2 0 -3 -6.33 6.14 -2 0 -3 3.28 6.38 2 0 4 2.19 6.68 -2 0 -4 7.19 5.87 -2 0 -5 18.03 9.13 2 0 5 24.93 8.39 -2 0 -6 3211.98 88.24 2 0 6 3516.56 87.30 -2 0 -7 4.32 8.34 2 0 7 2.68 7.28 -2 0 -8 131.85 19.24 2 0 8 127.72 18.05 2 0 9 6.54 9.58 -2 0 -9 14.84 11.19 2 0 10 1880.21 73.09 -2 0 -10 2041.45 77.83 -2 0 -11 8.17 15.51 2 0 11 24.75 15.25 2 0 12 46.04 15.16 -2 0 -12 63.57 18.66 2 0 13 12.06 12.85 -2 0 -13 6.01 5.94 -2 0 -13 12.31 12.56 2 0 14 718.17 49.34 -2 0 -14 783.27 55.60 -2 0 -14 789.10 27.10 -2 0 -15 0.86 4.52 -2 0 -15 2.23 10.92 2 0 16 82.83 20.90 -2 0 -16 111.36 24.92 2 0 17 -12.09 13.92 -2 0 -17 9.71 15.58 2 0 18 356.01 40.13 -2 0 -18 357.80 44.25 2 0 19 28.19 17.56 2 0 20 24.30 18.31 2 0 21 -2.61 14.15 2 0 22 579.92 57.05 2 0 23 36.97 22.42 2 0 24 116.85 30.27 2 0 25 56.38 23.44 2 0 26 189.59 35.65 2 0 27 88.53 28.93 2 0 28 54.06 25.37 2 0 29 -26.55 20.72 2 0 30 209.13 42.81 -2 -1 30 -27.47 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-1 15 233.89 29.46 -2 1 15 241.76 31.54 -2 -1 14 55.54 17.42 2 -1 -14 104.32 21.06 2 1 -14 81.10 20.36 -2 1 14 74.90 17.93 2 -1 -14 74.86 17.86 -2 -1 14 111.67 16.36 2 1 -13 512.44 40.44 -2 -1 13 543.51 32.02 -2 -1 13 476.04 38.82 -2 1 13 557.79 43.51 2 -1 -13 552.29 40.70 -2 1 12 55.21 14.16 2 1 -12 102.87 19.61 -2 -1 12 87.26 16.82 -2 -1 12 48.01 16.26 2 -1 -12 63.08 15.65 2 -1 -11 669.53 41.96 -2 1 11 725.99 44.85 2 1 -11 689.17 43.81 -2 -1 11 600.36 40.70 -2 -1 11 745.27 37.20 2 1 -11 728.65 37.98 2 1 -10 -6.46 11.53 -2 1 10 30.73 14.75 2 -1 -10 18.87 9.19 2 1 -10 7.82 10.30 -2 -1 10 26.75 13.23 -2 -1 10 14.84 11.52 2 -1 -9 601.82 37.45 2 1 -9 618.44 35.13 -2 1 9 670.89 40.94 -2 -1 9 657.63 36.60 -2 -1 9 619.09 36.28 2 1 -9 577.27 35.36 -2 -1 8 69.37 14.77 2 1 -8 66.80 12.69 -2 -1 8 66.16 11.87 2 -1 -8 68.82 13.08 2 1 -8 74.59 14.25 -2 1 8 74.03 16.34 2 1 -7 501.88 28.98 -2 -1 7 525.34 28.83 -2 1 7 529.88 33.10 -2 1 7 474.26 30.66 2 -1 -7 516.52 31.65 -2 -1 7 560.19 33.05 2 1 -7 501.98 31.77 2 1 -6 279.87 19.76 2 -1 -6 285.20 22.48 -2 -1 6 287.73 24.52 -2 -1 6 336.90 21.34 2 1 -6 316.13 24.96 -2 1 6 278.91 23.21 -2 1 5 1155.43 46.52 2 1 -5 1178.53 39.40 2 1 -5 1170.61 48.56 2 -1 -5 1206.21 46.70 -2 -1 5 1221.28 49.37 -2 -1 5 1242.51 39.68 -2 -1 4 -5.91 9.30 2 1 -4 16.64 6.23 -2 1 4 14.46 8.67 2 1 -4 6.73 10.74 2 -1 -4 9.65 6.47 -2 -1 4 2.05 4.55 -2 -1 3 27.57 10.43 2 1 -3 26.27 10.05 -2 1 3 23.30 8.24 2 1 -3 41.72 6.13 2 -1 -3 48.85 9.71 -2 -1 3 37.32 5.59 2 1 -2 39.89 11.34 2 1 -2 42.98 5.23 -2 -1 2 32.91 13.23 -2 1 2 39.59 9.10 2 -1 -2 41.38 9.85 -2 1 1 1176.53 44.17 2 1 -1 1110.08 47.73 -2 -1 1 1109.93 48.41 2 -1 -1 1166.75 43.62 -2 1 0 162.28 16.24 2 -1 0 173.60 16.32 2 1 0 147.72 18.68 -2 -1 0 145.84 17.82 2 1 1 832.02 21.29 2 1 1 834.17 39.65 -2 1 -1 812.13 36.81 2 -1 1 854.71 37.12 -2 -1 -1 796.37 39.15 -2 -1 -2 96.57 12.79 2 1 2 127.51 8.61 2 1 2 112.40 16.73 2 -1 2 104.94 13.75 -2 1 -2 110.57 14.51 -2 -1 -3 278.18 21.97 2 1 3 291.99 15.43 2 1 3 297.38 23.38 -2 1 -3 318.60 23.95 2 -1 3 323.51 23.92 -2 -1 -3 304.22 15.48 -2 1 -4 260.72 22.13 2 1 4 260.99 16.74 -2 -1 -4 269.13 24.06 2 1 4 253.38 22.00 -2 -1 -4 241.72 16.90 -2 1 -5 771.22 40.04 2 1 5 735.72 38.33 2 1 5 762.34 32.20 -2 -1 -5 849.85 34.20 -2 -1 -5 787.81 43.03 -2 1 -5 781.93 39.90 -2 -1 -6 92.65 13.40 2 1 6 86.70 14.64 -2 -1 -6 82.34 16.73 -2 1 -6 85.57 16.20 2 1 6 87.20 12.81 -2 1 -6 82.40 16.17 2 1 7 27.33 9.99 -2 -1 -7 18.97 11.90 2 1 7 33.65 12.05 -2 1 -7 27.16 11.02 -2 1 -7 16.46 11.58 -2 -1 -7 33.81 11.49 -2 1 -8 485.77 35.71 -2 -1 -8 577.00 34.25 2 1 8 538.47 32.39 -2 -1 -8 557.35 33.94 2 1 8 594.56 34.30 -2 -1 -9 2008.11 70.76 2 -1 9 1585.91 68.70 -2 -1 -9 1972.12 65.92 2 1 9 1998.99 65.14 -2 1 -9 1645.59 70.31 2 1 9 2017.00 69.31 -2 1 -10 22.23 12.58 -2 -1 -10 21.58 13.28 2 1 10 30.50 14.52 2 -1 10 23.93 15.08 -2 -1 -10 -0.35 10.06 -2 1 -11 264.73 29.57 2 -1 11 233.00 27.68 2 1 11 305.15 28.69 -2 -1 -11 298.86 29.83 -2 -1 -11 321.33 25.51 2 1 12 43.60 18.16 -2 -1 -12 23.45 12.60 -2 -1 -12 25.20 13.20 -2 1 -12 9.27 11.49 2 -1 12 13.58 16.39 -2 -1 -13 1571.85 56.35 -2 1 -13 1298.83 70.84 2 -1 13 1228.08 67.78 -2 -1 -13 1401.18 70.36 2 1 13 1601.39 70.63 2 1 14 256.97 30.30 -2 1 -14 174.72 27.43 -2 -1 -14 242.50 21.84 -2 1 -14 202.29 20.48 -2 -1 -14 221.73 30.49 2 -1 14 177.16 27.84 2 -1 15 137.20 24.07 -2 -1 -15 133.38 23.62 -2 1 -15 137.34 17.69 -2 1 -15 175.51 29.40 -2 -1 -15 131.05 16.58 2 1 15 170.46 27.62 -2 -1 -16 244.52 22.30 -2 -1 -16 285.81 35.53 -2 1 -16 250.40 22.52 2 1 16 251.53 32.99 -2 1 -16 235.31 34.18 2 -1 16 191.69 30.24 -2 1 -17 720.48 35.52 2 -1 17 664.39 54.08 2 1 17 802.02 57.76 -2 -1 -17 781.02 60.57 2 -1 18 33.57 18.65 2 1 18 37.95 19.49 -2 -1 -18 15.24 13.57 -2 1 -18 24.31 10.05 2 -1 19 -0.57 13.95 -2 1 -19 21.98 7.94 2 1 19 23.24 16.91 -2 1 -20 -11.69 6.75 2 1 20 -14.03 17.24 2 -1 20 20.92 13.36 2 -1 21 559.16 54.48 -2 1 -21 462.93 19.65 2 1 22 129.82 32.11 2 -1 22 149.37 31.59 2 1 23 13.57 19.29 2 -1 23 5.70 21.00 2 1 24 23.23 17.25 2 -1 24 45.47 22.09 2 1 25 319.18 47.95 2 -1 25 265.74 43.54 2 -1 26 20.33 21.44 2 1 26 52.37 25.14 2 -1 27 -16.71 17.72 2 1 27 3.01 17.64 2 1 28 13.80 18.07 2 -1 28 25.09 20.08 2 1 29 130.87 35.16 2 -1 29 146.74 37.57 2 1 30 11.52 16.76 -2 -2 29 11.55 19.11 -2 -2 28 35.76 23.37 -2 2 28 66.19 27.62 -2 2 27 73.38 27.89 -2 -2 27 83.56 30.38 -2 2 26 163.15 38.23 -2 -2 26 223.57 40.71 -2 -2 25 48.16 23.03 -2 2 25 -8.22 19.79 -2 -2 24 42.49 20.83 -2 2 24 62.63 26.69 -2 2 23 34.98 22.89 -2 -2 23 15.12 17.14 -2 2 22 135.29 32.69 -2 2 22 154.21 22.41 -2 -2 22 117.29 27.43 -2 2 21 12.36 10.63 -2 2 21 2.74 14.82 -2 -2 21 23.68 17.30 -2 2 20 149.31 22.47 -2 2 20 170.91 34.65 -2 -2 20 145.03 29.06 -2 -2 19 73.79 22.70 2 2 -19 60.03 17.51 -2 2 19 72.11 17.95 -2 2 19 70.26 23.66 -2 -2 18 291.67 36.73 2 2 -18 342.75 34.91 -2 2 18 378.60 44.91 -2 2 18 396.39 36.37 -2 2 17 22.35 13.11 2 2 -17 -1.45 10.59 -2 -2 17 -2.11 13.23 2 2 -17 0.87 12.73 -2 2 16 32.30 16.44 -2 2 16 34.61 15.27 -2 -2 16 14.33 11.94 2 -2 -16 33.77 16.79 2 2 -16 8.41 12.94 2 2 -16 33.00 14.62 -2 -2 15 112.65 22.29 2 2 -15 92.10 18.77 -2 2 15 133.01 23.27 2 2 -15 91.71 20.35 -2 -2 15 113.35 23.25 2 -2 -15 121.15 23.28 -2 2 15 149.29 28.00 2 2 -14 448.67 40.35 2 -2 -14 400.63 38.04 2 2 -14 439.61 38.27 -2 2 14 410.42 41.58 -2 -2 14 417.70 39.24 -2 -2 14 409.88 39.07 -2 2 14 402.20 37.67 2 -2 -13 128.95 21.80 -2 2 13 70.91 20.00 2 2 -13 90.11 19.93 -2 -2 13 79.93 19.15 2 2 -13 78.94 19.28 -2 -2 13 117.62 23.16 -2 2 13 113.71 21.21 2 2 -12 54.77 18.03 2 -2 -12 55.29 14.56 -2 -2 12 53.32 15.78 2 2 -12 57.00 16.29 -2 -2 12 68.01 20.06 -2 2 12 82.93 20.34 -2 2 12 44.79 14.59 2 2 -11 175.03 24.94 2 2 -11 205.68 24.39 -2 2 11 176.32 26.35 -2 -2 11 183.44 27.62 -2 2 11 179.77 27.03 -2 -2 11 198.71 24.75 2 -2 -11 196.81 24.97 -2 -2 10 666.16 47.43 2 -2 -10 697.84 45.21 -2 2 10 694.50 48.05 -2 2 10 672.08 46.25 2 2 -10 679.16 47.71 2 2 -10 714.61 43.84 -2 2 9 135.71 21.17 -2 2 9 124.04 20.01 2 2 -9 117.07 21.99 2 2 -9 131.35 18.93 2 -2 -9 129.80 19.70 -2 2 9 125.12 20.91 -2 -2 9 130.32 22.70 2 -2 -8 265.21 26.67 -2 2 8 226.05 24.95 2 2 -8 263.72 24.90 -2 2 8 310.56 31.87 -2 -2 8 236.91 29.96 2 2 -8 290.18 30.76 2 -2 -7 1573.04 65.63 2 2 -7 1579.31 73.68 -2 -2 7 1592.81 75.06 -2 2 7 1569.44 71.01 2 2 -7 1567.03 59.75 -2 2 7 1482.02 64.56 -2 2 6 1030.26 52.38 2 2 -6 1086.99 45.93 2 2 -6 1060.54 61.33 2 -2 -6 1096.26 52.93 -2 2 6 1110.72 60.21 -2 -2 6 1070.35 61.65 -2 -2 5 78.62 22.10 2 2 -5 41.73 17.28 2 -2 -5 36.69 11.34 2 2 -5 34.31 8.97 -2 2 5 53.92 18.66 -2 2 5 22.97 11.19 2 2 -5 26.61 8.72 -2 -2 4 55.19 20.04 2 2 -4 64.54 11.25 2 2 -4 60.86 19.26 2 -2 -4 46.89 11.24 2 2 -4 53.03 9.78 -2 2 4 82.43 19.63 -2 2 4 58.21 14.40 -2 2 3 28.00 12.02 2 -2 -3 16.75 9.64 2 2 -3 47.43 16.80 2 2 -3 13.65 6.80 2 2 -3 21.96 7.88 -2 -2 3 44.93 20.82 2 -2 -2 1135.51 52.66 -2 -2 2 1049.98 61.79 2 2 -2 1057.60 40.97 -2 2 2 1103.53 51.76 2 2 -2 1208.83 63.88 2 2 -2 1135.27 38.10 2 -2 -1 209.12 21.94 2 2 -1 193.32 13.86 -2 2 1 205.01 22.99 -2 -2 1 203.42 32.36 2 2 -1 216.14 28.27 2 2 0 117.12 23.89 2 2 0 77.09 8.67 -2 -2 0 81.02 24.54 2 -2 0 71.30 13.69 -2 2 0 67.75 13.77 2 2 1 203.79 28.82 -2 -2 -1 205.56 31.92 2 2 1 179.64 11.73 -2 2 -1 204.77 23.47 2 -2 1 162.50 19.96 -2 -2 -2 1043.57 31.26 2 2 2 974.48 29.49 2 2 2 1041.01 58.92 2 -2 2 981.74 51.11 -2 2 -2 977.11 49.44 -2 -2 -2 924.44 58.42 -2 2 -3 196.71 22.47 2 2 3 223.83 18.10 -2 -2 -3 203.19 12.86 -2 -2 -3 178.34 28.20 2 -2 3 210.61 23.85 -2 2 -3 198.15 27.77 2 2 3 209.81 28.84 2 2 4 90.73 19.95 -2 2 -4 60.70 14.72 -2 -2 -4 92.17 24.74 -2 -2 -4 82.38 9.25 -2 2 -4 116.11 23.63 2 2 4 74.49 11.55 2 2 5 177.29 17.26 2 2 5 193.99 26.78 -2 2 -5 166.21 26.54 -2 -2 -5 197.68 29.63 -2 -2 -5 194.33 14.41 -2 2 -5 225.67 26.05 -2 2 -6 1154.71 59.04 2 2 6 1158.26 62.79 2 2 6 1120.52 46.77 -2 -2 -6 1140.60 38.91 -2 -2 -6 1118.13 63.56 -2 2 -6 1154.63 63.34 -2 2 -6 1210.79 61.75 -2 -2 -7 11.74 6.05 -2 2 -7 23.07 17.00 2 2 7 10.21 7.61 -2 2 -7 2.03 9.66 2 2 7 16.48 12.94 -2 2 -7 16.03 10.54 -2 -2 -7 36.30 19.19 -2 2 -8 7.10 9.95 -2 -2 -8 -1.71 5.48 2 2 8 10.11 14.35 2 2 8 -0.12 8.52 -2 2 -8 0.58 12.99 -2 2 -8 9.75 12.90 -2 -2 -8 16.39 14.74 -2 -2 -9 38.68 10.19 2 2 9 28.99 12.28 2 2 9 37.59 12.19 -2 2 -9 68.32 19.24 -2 2 -9 28.15 12.77 -2 2 -9 39.25 19.17 -2 -2 -9 50.82 17.04 -2 -2 -10 747.91 38.28 -2 2 -10 723.55 50.75 2 2 10 799.74 52.13 -2 2 -10 704.88 50.77 -2 2 -10 762.70 52.10 2 2 10 693.58 45.61 -2 -2 -10 679.53 51.48 2 2 11 171.85 24.24 -2 2 -11 165.71 26.95 -2 -2 -11 163.83 19.09 -2 2 -11 159.75 24.72 -2 -2 -11 139.26 25.55 -2 2 -11 141.81 24.45 2 2 11 121.19 23.18 -2 -2 -12 145.24 24.77 -2 2 -12 193.11 28.43 -2 2 -12 159.37 27.22 -2 2 -12 176.23 28.43 -2 -2 -12 187.43 21.43 2 2 12 221.51 29.43 2 2 12 203.31 27.43 -2 2 -13 21.48 13.69 -2 2 -13 8.51 14.05 2 2 13 18.43 14.88 -2 -2 -13 15.57 9.65 -2 2 -13 -1.79 13.48 2 2 13 21.79 12.46 -2 -2 -13 19.20 12.79 -2 -2 -14 528.55 45.14 2 2 14 458.22 42.82 -2 2 -14 546.96 45.06 -2 -2 -14 494.67 37.93 2 2 14 527.35 43.15 -2 2 -14 458.68 46.39 -2 2 -15 64.40 18.75 -2 2 -15 87.72 25.63 -2 -2 -15 20.59 11.74 2 2 15 49.75 17.55 2 2 15 52.28 16.35 -2 -2 -16 109.58 24.61 -2 -2 -16 141.45 22.74 2 2 16 114.20 24.60 -2 2 -16 125.30 22.32 2 2 16 104.79 20.66 2 2 17 80.05 21.96 -2 -2 -17 111.57 24.09 -2 -2 -17 81.63 19.69 -2 2 -17 59.22 18.11 2 2 17 49.69 16.88 -2 -2 -18 243.07 32.28 -2 2 -18 246.53 30.21 2 2 18 255.65 36.97 2 2 19 128.61 28.73 -2 -2 -19 61.12 19.33 -2 2 -19 108.80 22.55 -2 2 -20 134.46 22.50 2 2 20 170.75 34.25 2 2 21 42.12 19.59 2 2 22 172.96 33.48 2 -2 22 127.90 31.80 2 -2 23 18.61 24.58 2 2 23 60.93 23.75 2 2 24 128.47 31.62 2 -2 24 87.64 26.46 2 2 25 81.32 26.97 2 -2 25 96.53 31.13 2 -2 26 79.10 33.49 2 2 26 138.38 32.20 2 2 27 89.87 32.78 2 -2 27 46.44 24.12 2 2 28 -0.36 16.61 2 2 29 35.39 22.40 -2 3 26 -18.95 19.00 -2 3 25 12.45 21.93 -2 3 24 105.23 32.77 -2 3 23 39.29 24.97 -2 3 22 26.70 21.36 -2 3 21 102.30 30.33 -2 3 20 80.76 26.95 -2 3 19 61.46 23.83 -2 3 18 -5.80 15.49 -2 3 17 66.04 25.06 -2 3 16 -3.21 15.09 -2 3 15 127.54 29.12 -2 3 14 104.16 26.42 2 3 -14 115.98 25.35 2 3 -14 71.28 20.74 2 -3 -13 254.51 32.46 2 3 -13 250.22 32.36 2 3 -13 278.41 35.13 -2 3 13 242.76 35.39 2 -3 -12 165.58 27.26 -2 3 12 115.21 27.02 2 3 -12 177.57 28.42 2 3 -12 160.77 25.70 2 -3 -11 49.30 16.25 -2 3 11 18.07 16.45 2 3 -11 18.80 12.46 2 3 -11 49.14 17.28 2 3 -10 14.18 10.43 2 -3 -10 -2.93 10.62 -2 3 10 23.84 19.66 2 3 -10 28.29 14.50 2 3 -9 592.62 42.80 -2 3 9 570.06 45.91 2 3 -9 691.34 46.43 2 -3 -9 528.98 43.35 -2 -3 9 632.85 56.99 -2 3 9 675.30 52.81 -2 3 8 -3.90 12.64 2 -3 -8 -6.55 9.68 2 3 -8 -6.92 9.40 2 3 -8 13.81 11.28 -2 -3 8 25.66 27.80 2 3 -7 52.17 13.50 2 3 -7 63.32 14.82 -2 -3 7 24.01 23.34 2 -3 -7 67.01 16.70 -2 3 7 38.98 15.98 2 3 -6 12.26 10.42 -2 3 6 7.51 12.05 2 -3 -6 18.54 11.15 2 3 -6 1.80 7.25 2 3 -5 266.63 25.40 2 3 -5 250.88 26.06 -2 -3 5 227.22 38.64 2 -3 -5 239.69 28.27 -2 3 5 261.39 29.32 -2 3 4 220.53 27.70 2 3 -4 225.13 22.23 2 3 -4 227.69 24.20 2 -3 -4 249.97 28.16 -2 -3 4 240.06 40.34 -2 3 3 101.71 19.16 2 3 -3 128.86 16.55 -2 -3 3 170.83 34.74 2 -3 -3 136.17 22.31 2 3 -3 122.15 18.07 2 3 -2 15.46 7.40 2 3 -2 9.36 8.51 2 -3 -2 18.07 11.41 -2 -3 2 31.04 19.36 -2 3 2 25.60 12.65 -2 -3 1 202.47 38.71 2 -3 -1 188.45 24.86 -2 3 1 204.37 26.87 2 3 -1 213.05 18.86 2 3 0 174.47 16.50 -2 3 0 194.95 26.03 2 -3 0 186.63 25.41 -2 -3 0 165.90 35.29 -2 3 -1 110.23 21.11 2 3 1 108.24 13.04 2 -3 1 139.07 22.76 -2 -3 -1 114.77 30.71 2 3 2 0.26 5.58 -2 3 -2 -0.45 10.23 2 -3 2 20.15 11.51 -2 -3 -2 2.27 21.96 -2 -3 -3 66.29 27.40 -2 3 -3 64.86 16.14 -2 3 -4 507.05 42.71 -2 -3 -4 561.06 28.80 2 3 4 534.63 35.45 -2 -3 -4 501.08 54.12 -2 -3 -5 279.96 20.73 -2 -3 -5 302.42 44.04 2 3 5 315.66 28.12 -2 3 -5 270.86 32.47 -2 3 -6 16.06 12.85 2 3 6 28.50 11.88 -2 -3 -6 3.47 5.80 -2 3 -6 17.35 13.16 -2 -3 -6 54.28 29.88 -2 3 -7 100.99 22.40 -2 -3 -7 108.15 14.19 -2 -3 -7 169.11 35.61 2 3 7 126.53 20.59 -2 3 -7 112.82 23.39 -2 -3 -8 191.80 41.77 -2 -3 -8 170.49 18.25 -2 3 -8 151.53 26.10 2 3 8 166.79 24.43 -2 -3 -9 270.14 23.00 -2 3 -9 286.35 35.24 2 3 9 259.33 28.83 -2 -3 -10 8.25 8.53 2 3 10 34.60 16.56 -2 3 -10 18.78 13.94 -2 -3 -11 70.55 14.48 -2 3 -11 62.81 21.18 2 3 11 122.07 24.07 2 3 12 148.81 25.54 -2 3 -12 83.31 23.09 -2 -3 -12 114.55 17.78 2 3 13 114.39 24.22 -2 3 -13 125.73 28.07 -2 -3 -13 126.91 19.04 2 3 14 22.56 16.08 -2 3 -14 9.36 14.87 -2 -3 -14 20.48 12.18 -2 3 -15 15.68 16.26 -2 -3 -15 14.54 10.13 -2 -3 -16 152.44 23.40 -2 3 -16 139.76 31.55 2 3 16 145.14 29.17 -2 3 -17 130.68 31.47 2 3 17 203.24 33.34 -2 3 -18 30.75 16.71 2 3 18 21.41 19.34 2 3 19 74.86 22.84 -2 3 -19 52.56 26.39 2 3 20 110.40 30.04 -2 3 -20 136.25 33.80 2 3 21 93.53 29.95 -2 3 -21 99.89 34.30 -2 3 -22 -24.33 19.95 2 3 22 15.70 15.44 2 3 23 13.19 16.36 -2 3 -23 24.38 20.23 2 3 24 -5.64 16.78 -2 3 -24 11.35 19.84 2 3 25 47.40 24.42 2 3 26 29.84 21.47 2 3 27 -3.46 15.19 2 4 -23 26.10 20.19 2 4 -22 35.62 20.61 -2 4 21 26.53 20.77 2 4 -21 39.53 21.87 2 4 -20 36.15 21.36 -2 4 20 67.93 29.26 -2 4 19 36.06 23.68 2 4 -19 31.51 21.89 -2 4 18 41.69 23.42 2 4 -18 22.90 18.98 2 4 -17 47.92 21.84 -2 4 17 2.02 15.53 2 4 -16 9.16 14.48 -2 4 16 38.41 21.67 -2 4 15 118.85 30.13 2 4 -15 137.66 28.82 -2 4 14 27.86 22.02 2 4 -14 23.68 17.70 -2 4 13 149.37 33.36 2 4 -13 125.55 25.11 2 4 -12 65.38 19.84 -2 4 12 67.57 25.32 2 4 -11 114.60 23.88 -2 4 11 119.36 28.68 -2 4 10 35.46 20.19 2 4 -10 25.71 13.10 -2 4 9 100.29 26.43 2 4 -9 67.27 17.43 2 4 -8 21.83 13.31 -2 4 8 40.52 15.52 -2 4 7 90.83 20.25 2 4 -7 102.07 21.74 2 4 -7 119.68 20.56 2 4 -6 61.77 19.14 -2 4 6 63.46 18.29 2 4 -6 69.66 16.80 -2 4 5 129.20 24.55 2 4 -5 148.14 21.48 2 4 -5 149.33 23.82 -2 4 4 20.43 13.98 2 4 -4 7.06 9.14 2 4 -4 -12.44 11.07 2 4 -3 59.35 13.50 2 4 -3 28.25 12.13 -2 4 3 24.86 14.36 -2 4 2 16.71 10.94 2 4 -2 21.68 10.72 2 4 -2 14.70 9.43 2 4 -1 58.28 12.51 -2 4 1 78.23 20.09 2 4 -1 38.66 12.01 -2 4 0 14.12 13.10 2 4 0 8.05 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16.26 15.31 -11 -1 15 -13.28 21.27 -11 1 15 5.50 20.76 -11 -1 15 33.98 19.27 -11 1 14 333.90 45.74 -11 -1 14 308.95 48.03 -11 -1 14 322.37 37.74 -11 -1 13 48.90 18.22 -11 -1 13 28.26 23.73 -11 1 13 53.14 21.69 -11 1 12 70.74 21.78 -11 -1 12 79.45 18.95 -11 -1 12 43.15 26.24 -11 1 12 96.32 28.69 -11 1 11 10.46 17.43 -11 -1 11 -5.88 10.48 -11 -1 11 9.22 21.84 -11 1 11 -16.58 16.76 -11 1 10 247.13 40.18 -11 -1 10 185.60 39.60 -11 -1 10 242.93 28.68 -11 1 9 72.60 27.57 -11 -1 9 49.57 31.22 11 1 -9 39.17 15.88 -11 -1 9 37.14 14.79 -11 1 8 108.63 26.75 -11 -1 8 124.23 34.60 11 1 -8 141.54 24.22 -11 -1 8 171.26 23.45 -11 1 7 44.61 19.12 11 1 -7 76.37 18.40 -11 -1 7 33.60 11.54 -11 1 6 427.69 49.12 11 1 -6 432.69 38.71 -11 -1 6 508.45 35.71 -11 1 5 4.93 13.77 -11 -1 5 -4.84 8.44 11 1 -5 0.16 9.27 -11 1 4 20.06 15.89 11 1 -4 17.10 10.72 -11 -1 4 16.43 9.16 -11 -1 3 66.29 17.70 -11 1 3 78.60 23.59 11 1 -3 78.45 17.74 -11 -1 3 56.66 12.27 -11 -1 3 67.14 13.81 -11 -1 2 472.48 39.38 -11 1 2 472.53 49.49 11 1 -2 481.02 39.40 -11 -1 2 479.26 32.21 -11 -1 1 15.46 10.90 -11 1 1 7.12 13.36 11 1 -1 4.21 8.23 -11 -1 1 11.15 7.55 -11 -1 0 27.05 11.68 -11 1 0 44.65 20.93 11 1 0 64.96 15.73 -11 -1 0 42.77 10.68 -11 -1 -1 -0.25 6.81 -11 -1 -1 7.81 11.09 -11 1 -1 25.00 19.12 11 1 1 4.50 8.46 -11 -1 -2 344.58 33.24 -11 1 -2 327.48 43.47 -11 -1 -3 23.19 12.95 -11 1 -3 28.64 19.50 -11 -1 -3 -3.26 21.56 -11 -1 -4 -16.40 11.92 -11 1 -4 13.45 15.18 -11 -1 -4 -3.65 20.17 -11 -1 -5 56.93 16.84 -11 1 -5 60.65 22.94 -11 -1 -5 70.48 30.29 -11 -1 -6 203.30 26.68 -11 -1 -6 197.97 42.01 -11 1 -6 214.39 36.60 -11 -1 -7 15.25 12.21 -11 -1 -7 -14.37 23.54 -11 1 -7 6.33 14.20 -11 -1 -8 -15.34 18.40 -11 -1 -8 7.80 10.08 -11 1 -8 -6.03 16.69 -11 -1 -9 9.33 20.06 -11 -1 -9 6.75 10.94 -11 1 -9 10.75 18.20 -11 -1 -10 200.31 40.09 -11 -1 -10 235.97 30.90 -11 1 -10 288.29 43.17 -11 -1 -11 22.84 23.01 -11 -1 -11 -7.09 10.95 -11 1 -11 14.86 18.64 -11 -1 -12 4.03 24.38 -11 -1 -12 30.19 18.68 -11 1 -12 22.32 20.83 -11 -1 -13 18.53 18.84 -11 -1 -13 17.89 13.79 -11 1 -13 29.04 22.31 -11 -1 -14 120.26 32.48 -11 -1 -14 153.59 27.85 -11 1 -14 152.01 34.04 -11 -1 -15 -11.31 18.38 -11 1 -15 45.50 22.92 -11 -1 -16 -15.79 19.95 -11 1 -16 21.31 21.60 -11 -1 -17 -0.67 17.23 -11 1 -17 46.69 26.23 -11 -1 -18 110.41 31.07 -11 1 -18 137.19 35.67 -11 -2 22 5.54 18.05 -11 -2 21 37.00 26.95 -11 -2 20 -20.20 25.80 -11 -2 19 52.23 28.67 -11 -2 18 10.56 23.53 -11 2 18 47.80 24.00 -11 -2 17 130.70 41.16 -11 2 17 121.70 33.37 -11 -2 16 -36.43 29.20 -11 2 16 14.55 20.94 -11 -2 15 26.84 21.71 -11 2 15 18.04 21.54 -11 2 14 -2.51 16.05 -11 -2 14 15.21 23.06 -11 2 14 -25.35 22.60 -11 2 13 128.83 33.77 -11 -2 13 148.40 40.51 -11 2 13 115.29 33.28 -11 2 12 91.05 29.23 -11 -2 12 138.10 41.28 -11 2 11 -3.03 16.10 -11 -2 11 4.93 25.22 -11 2 10 24.76 19.65 -11 -2 10 31.55 23.73 -11 -2 9 51.67 27.79 -11 2 9 100.45 28.76 -11 -2 8 39.86 29.49 -11 2 8 9.35 13.49 -11 -2 7 57.09 33.29 -11 2 7 48.98 22.96 -11 -2 6 7.10 24.82 -11 2 6 7.67 15.08 -11 -2 5 108.44 38.76 -11 2 5 165.08 35.46 -11 -2 4 4.09 24.62 -11 2 4 -19.94 18.52 -11 -2 3 12.25 22.97 -11 2 3 35.99 18.70 -11 -2 2 28.82 24.59 -11 2 2 57.58 22.77 -11 -2 1 84.39 34.95 -11 2 1 151.82 34.01 -11 -2 0 4.59 20.70 -11 2 0 35.04 19.57 -11 -2 -1 53.40 22.59 -11 2 -1 18.44 17.05 -11 -2 -2 44.36 32.53 -11 2 -2 -29.16 21.60 -11 -2 -3 184.10 41.91 -11 2 -3 125.97 31.62 -11 -2 -4 -21.83 26.52 -11 2 -4 13.30 23.27 -11 -2 -5 79.04 37.90 -11 2 -5 64.54 24.98 -11 -2 -6 32.29 23.52 -11 2 -6 -3.21 18.78 -11 -2 -7 165.95 40.35 -11 2 -7 181.04 37.90 -11 -2 -8 52.04 29.80 -11 2 -8 92.45 29.48 -11 -2 -9 62.58 32.59 -11 2 -9 38.62 23.37 -11 -2 -10 24.21 26.46 -11 2 -10 25.22 26.06 -11 -2 -11 22.20 22.21 -11 2 -11 85.48 30.16 -11 -2 -12 51.05 28.24 -11 2 -12 34.51 21.67 -11 -2 -13 55.46 27.74 -11 2 -13 71.99 29.38 -11 -2 -14 2.33 21.96 -11 -2 -15 138.89 41.61 -11 -2 -16 34.49 21.25 -11 -2 -17 2.68 20.46 -11 -3 12 -25.75 31.75 -11 -3 11 58.72 34.31 -11 -3 10 95.05 39.50 -11 -3 9 29.24 30.11 -11 -3 8 39.22 29.30 -11 3 8 7.85 15.35 -11 -3 7 106.97 39.35 -11 3 7 97.49 31.73 -11 -3 6 49.82 33.13 -11 3 6 105.28 33.57 -11 -3 5 -8.58 27.44 -11 3 5 15.51 17.61 -11 -3 4 16.90 26.38 -11 3 4 27.66 23.20 -11 -3 3 6.64 25.77 -11 3 3 22.54 20.61 -11 -3 2 11.38 23.21 -11 3 2 39.85 24.93 -11 -3 1 25.00 25.94 -11 3 1 81.43 28.03 -11 -3 0 -12.82 27.00 -11 3 0 8.43 20.04 -11 -3 -1 43.17 32.93 -11 3 -1 72.60 28.28 -11 -3 -2 7.60 26.46 -11 3 -2 112.51 34.36 -11 -3 -3 34.85 37.72 -11 3 -3 82.44 30.27 -11 -3 -4 -0.16 26.83 -11 -3 -5 -18.26 33.49 -12 0 24 60.88 27.90 -12 0 23 -10.71 17.98 -12 0 23 -95.72 31.51 -12 0 22 58.56 27.50 -12 0 21 -6.73 17.34 -12 0 20 60.66 25.52 -12 0 19 54.47 24.92 -12 0 18 48.89 19.64 -12 0 17 11.25 16.02 -12 0 16 72.39 23.98 -12 0 15 -11.38 15.13 -12 0 14 -1.39 15.69 -12 0 13 11.46 12.84 -12 0 12 318.83 40.17 -12 0 11 28.06 17.87 -12 0 10 61.24 19.86 -12 0 9 -9.88 12.81 -12 0 8 238.58 36.98 -12 0 8 223.03 32.59 -12 0 7 -3.79 16.58 -12 0 6 59.82 20.68 -12 0 5 -5.73 15.29 -12 0 4 235.36 34.24 -12 0 3 16.72 16.83 -12 0 2 151.61 27.33 -12 0 1 14.07 15.10 -12 0 0 307.63 38.70 -12 0 -1 -33.51 17.74 -12 0 -2 23.80 15.09 -12 0 -3 2.08 12.94 -12 0 -4 130.97 27.86 -12 0 -5 -4.60 14.10 -12 0 -6 161.46 29.68 -12 0 -7 27.56 16.84 -12 0 -8 170.35 31.26 -12 0 -9 -8.97 13.09 -12 0 -10 64.23 23.93 -12 0 -11 -11.37 14.43 -12 0 -12 70.14 21.73 -12 0 -13 6.57 14.14 -12 0 -14 114.60 30.32 -12 0 -15 10.54 16.85 -12 0 -16 46.19 23.14 -12 0 -17 0.49 15.32 -12 0 -18 15.44 18.93 -12 0 -19 11.67 15.92 -12 -1 23 76.23 30.58 -12 -1 22 47.82 28.49 -12 -1 21 63.72 29.93 -12 1 21 115.86 35.79 -12 -1 20 19.94 22.31 -12 1 20 -6.85 18.34 -12 -1 19 87.63 31.73 -12 1 19 51.13 26.23 -12 1 18 -26.51 20.61 -12 -1 18 8.51 23.38 -12 -1 17 147.88 36.33 -12 1 17 120.05 33.09 -12 -1 16 22.40 21.13 -12 1 16 30.10 22.84 -12 -1 15 109.69 33.46 -12 1 15 80.83 26.15 -12 1 14 14.88 20.53 -12 -1 14 74.03 31.95 -12 -1 13 17.26 20.15 -12 1 13 38.53 19.47 -12 1 12 54.73 24.39 -12 -1 12 -21.46 28.84 -12 1 12 1.39 15.06 -12 1 11 41.62 23.23 -12 -1 11 65.61 29.23 -12 1 11 35.49 21.19 -12 1 10 21.57 22.03 -12 -1 10 -22.82 26.72 -12 1 9 78.23 26.88 -12 -1 9 57.98 27.83 -12 -1 9 97.75 19.85 -12 1 8 -4.98 14.67 -12 -1 8 2.67 29.82 -12 -1 8 1.78 10.48 -12 1 7 24.14 19.37 -12 -1 7 4.93 22.83 -12 -1 7 23.61 10.12 -12 -1 6 14.01 9.50 -12 1 6 26.11 19.49 -12 -1 6 -19.66 26.06 -12 1 5 93.43 28.49 -12 -1 5 48.29 13.36 -12 1 4 2.58 18.73 -12 -1 4 24.86 12.62 -12 1 3 22.72 18.23 -12 -1 3 28.45 12.91 -12 -1 2 15.24 12.03 -12 1 2 -5.68 14.36 -12 -1 1 227.10 28.68 -12 1 1 190.71 33.33 -12 -1 0 16.68 12.23 -12 1 0 19.51 18.49 -12 -1 -1 14.41 11.82 -12 1 -1 -3.86 17.32 -12 -1 -1 -16.82 19.45 -12 -1 -2 18.49 13.01 -12 1 -2 -3.13 15.43 -12 -1 -2 2.66 19.24 -12 -1 -3 179.98 26.74 -12 1 -3 156.08 32.60 -12 -1 -3 110.68 32.07 -12 -1 -4 60.52 18.07 -12 1 -4 16.41 16.55 -12 -1 -4 4.76 20.78 -12 -1 -5 11.02 10.26 -12 1 -5 -0.34 15.52 -12 -1 -5 4.82 25.12 -12 -1 -6 46.77 16.57 -12 -1 -6 -22.32 26.71 -12 1 -6 37.18 21.53 -12 -1 -7 192.49 27.51 -12 -1 -7 140.93 40.87 -12 1 -7 230.36 38.38 -12 -1 -8 21.12 13.07 -12 -1 -8 15.91 19.10 -12 1 -8 17.05 17.99 -12 -1 -9 -21.13 21.87 -12 1 -9 17.54 18.48 -12 -1 -10 33.99 23.27 -12 1 -10 4.55 16.14 -12 -1 -11 138.75 36.23 -12 1 -11 166.78 37.84 -12 -1 -12 51.03 19.98 -12 1 -12 47.28 23.66 -12 -1 -13 24.95 25.33 -12 1 -13 -13.25 19.78 -12 -1 -14 27.52 19.46 -12 1 -14 20.08 18.86 -12 -1 -15 142.38 37.27 -12 1 -15 151.55 36.52 -12 -1 -16 -3.69 22.09 -12 1 -16 4.02 15.25 -12 -1 -17 23.32 21.53 -12 -2 21 -93.73 37.94 -12 -2 20 13.57 20.28 -12 -2 19 62.65 31.13 -12 -2 18 -5.79 21.31 -12 -2 17 46.94 29.95 -12 -2 16 28.47 25.79 -12 -2 15 37.38 29.06 -12 2 15 63.83 28.66 -12 -2 14 20.07 23.80 -12 2 14 38.25 24.34 -12 2 13 14.02 16.38 -12 -2 13 2.11 22.22 -12 2 13 -21.16 19.95 -12 2 12 192.15 40.90 -12 -2 12 166.16 45.37 -12 2 11 66.76 29.02 -12 -2 11 -6.40 22.63 -12 2 10 11.86 20.17 -12 -2 10 65.16 40.55 -12 2 9 0.35 17.08 -12 -2 9 77.25 34.26 -12 2 8 87.17 27.26 -12 -2 8 101.82 38.04 -12 -2 7 131.38 43.00 -12 2 7 101.58 30.29 -12 -2 6 118.99 36.69 -12 2 6 69.41 26.38 -12 -2 5 -50.94 29.08 -12 2 5 13.09 15.84 -12 -2 4 170.39 42.04 -12 2 4 225.35 41.39 -12 -2 3 32.12 20.72 -12 2 3 18.19 16.60 -12 -2 2 2.85 20.39 -12 2 2 -10.96 16.45 -12 -2 1 -51.24 29.17 -12 2 1 -3.04 17.00 -12 -2 0 99.14 34.95 -12 2 0 63.76 27.12 -12 -2 -1 -8.75 19.87 -12 2 -1 38.88 25.79 -12 -2 -2 80.89 29.96 -12 2 -2 43.35 24.09 -12 -2 -3 62.01 31.89 -12 2 -3 -12.79 18.60 -12 -2 -4 72.98 33.72 -12 2 -4 165.70 36.63 -12 -2 -5 17.11 21.41 -12 2 -5 31.75 22.69 -12 -2 -6 32.09 26.26 -12 2 -6 13.52 19.36 -12 -2 -7 -10.08 21.26 -12 2 -7 -12.99 17.72 -12 -2 -8 89.00 34.95 -12 2 -8 125.64 34.89 -12 -2 -9 44.46 29.37 -12 2 -9 105.47 34.22 -12 -2 -10 60.18 31.76 -12 -2 -11 6.87 30.22 -12 -2 -12 40.93 24.25 -12 -2 -13 35.62 34.91 -12 -2 -14 96.34 37.56 -13 0 21 16.22 18.59 -13 0 20 -2.02 17.13 -13 0 19 149.30 34.82 -13 0 18 3.79 17.71 -13 0 17 25.31 18.14 -13 0 16 65.68 24.42 -13 0 15 78.60 25.41 -13 0 14 -17.26 19.40 -13 0 13 36.83 17.06 -13 0 12 3.98 13.79 -13 0 11 125.37 27.72 -13 0 10 11.71 16.22 -13 0 9 -0.35 12.97 -13 0 8 -4.26 16.25 -13 0 8 -17.07 14.14 -13 0 7 153.46 30.91 -13 0 7 161.37 28.82 -13 0 6 -8.03 13.91 -13 0 5 64.74 23.24 -13 0 4 -25.22 16.94 -13 0 3 112.48 26.54 -13 0 2 37.17 19.57 -13 0 1 82.06 23.75 -13 0 0 -4.89 13.66 -13 0 -1 121.99 27.36 -13 0 -2 -21.07 14.01 -13 0 -3 1.33 14.65 -13 0 -4 -22.81 16.32 -13 0 -5 139.84 29.69 -13 0 -6 -23.56 17.52 -13 0 -7 82.02 23.72 -13 0 -8 4.35 13.07 -13 0 -9 132.30 29.13 -13 0 -10 38.48 19.28 -13 0 -11 53.27 21.28 -13 0 -12 44.70 21.59 -13 0 -13 11.72 17.06 -13 0 -14 23.49 21.72 -13 0 -15 159.23 36.11 -13 -1 21 -32.03 27.03 -13 -1 20 25.04 25.10 -13 -1 19 21.64 21.03 -13 1 19 5.97 20.75 -13 1 18 74.96 29.46 -13 -1 18 34.91 24.55 -13 1 17 11.93 21.06 -13 -1 17 21.31 25.42 -13 -1 16 125.15 38.13 -13 1 16 139.59 34.47 -13 -1 15 -3.74 21.31 -13 1 15 46.38 25.16 -13 1 14 36.86 22.66 -13 -1 14 9.69 21.53 -13 -1 13 47.96 30.80 -13 1 13 31.27 20.34 -13 1 12 99.67 29.53 -13 -1 12 38.72 29.27 -13 1 11 -15.20 18.99 -13 -1 11 1.83 23.45 -13 1 11 -10.93 15.90 -13 1 10 -11.43 15.08 -13 -1 10 3.93 23.85 -13 1 10 26.06 18.58 -13 1 9 6.55 17.37 -13 -1 9 -5.94 21.88 -13 1 8 192.25 38.50 -13 -1 8 196.98 47.22 -13 1 7 56.08 25.09 -13 -1 7 17.67 21.51 -13 1 6 -0.37 14.90 -13 -1 6 18.63 25.30 -13 1 5 43.73 22.84 -13 -1 5 -31.90 27.14 -13 1 4 171.82 34.57 -13 -1 4 182.92 45.29 -13 1 3 -7.42 16.17 -13 -1 3 14.95 28.54 -13 -1 2 5.93 10.35 -13 1 2 -10.76 19.01 -13 -1 2 -18.99 26.79 -13 -1 1 16.17 14.65 -13 1 1 -9.58 15.15 -13 -1 1 -16.97 21.63 -13 -1 0 180.57 27.54 -13 1 0 167.50 35.00 -13 -1 0 79.58 36.93 -13 1 -1 36.14 19.34 -13 -1 -1 -21.17 30.08 -13 1 -2 -7.01 15.68 -13 -1 -2 21.41 25.57 -13 1 -3 -8.40 14.45 -13 -1 -3 6.48 22.06 -13 1 -4 196.68 36.52 -13 -1 -4 150.45 37.32 -13 1 -5 48.51 24.47 -13 -1 -5 32.95 26.74 -13 -1 -6 48.32 24.36 -13 1 -6 17.34 23.07 -13 -1 -7 -41.40 26.19 -13 1 -7 49.50 23.43 -13 -1 -8 130.85 37.39 -13 1 -8 162.12 38.18 -13 -1 -9 -10.32 23.46 -13 1 -9 7.08 15.17 -13 -1 -10 -17.64 21.60 -13 1 -10 -20.39 23.07 -13 -1 -11 -4.24 22.52 -13 1 -11 16.84 19.92 -13 -1 -12 94.21 34.39 -13 1 -12 65.72 26.86 -13 -1 -13 22.93 25.15 -13 -1 -14 -10.06 21.74 -13 -2 9 27.62 28.52 -13 2 8 29.44 23.32 -13 -2 8 44.32 32.62 -13 2 7 76.38 24.38 -13 -2 7 141.82 43.35 -13 2 6 5.84 20.27 -13 -2 6 22.78 27.10 -13 -2 5 -34.13 27.11 -13 2 5 36.44 22.02 -13 -2 4 39.82 27.93 -13 2 4 -7.25 18.75 -13 -2 3 17.11 21.31 -13 2 3 104.11 33.55 -13 -2 2 -46.40 32.65 -13 2 2 31.26 17.87 -13 -2 1 60.37 31.96 -13 2 1 41.12 22.97 -13 -2 0 48.09 25.08 -13 2 0 -12.35 19.89 -13 2 -1 136.09 37.41 -13 2 -2 47.82 25.44 -13 2 -3 120.11 35.01 -14 0 9 -8.12 15.10 -14 0 8 -36.35 15.76 -14 0 7 18.94 19.04 -14 0 7 4.59 12.94 -14 0 6 51.41 18.06 -14 0 6 -0.08 15.33 -14 0 5 3.90 16.44 -14 0 4 33.75 16.99 -14 0 3 5.50 19.70 -14 0 2 274.63 41.05 -14 0 1 6.55 16.37 -14 0 0 80.59 23.68 -14 0 -1 -1.58 13.98 -14 0 -2 94.63 24.91 -14 0 -3 -1.08 13.38 -14 0 -4 120.71 30.00 -14 0 -5 -6.72 14.39 -14 0 -6 17.66 14.12 -14 0 -7 -36.57 19.10 -14 0 -8 58.36 20.38 -14 0 -9 -12.47 19.58 -14 0 -10 45.83 18.31 -14 1 16 -4.00 20.21 -14 1 15 63.14 26.99 -14 1 14 -5.89 15.75 -14 1 13 46.04 22.44 -14 1 12 69.58 25.62 -14 1 11 118.09 33.57 -14 1 11 109.29 29.74 -14 1 10 -29.77 21.24 -14 1 10 -9.14 19.05 -14 1 9 -16.30 16.36 -14 1 8 -5.47 15.92 -14 -1 8 -30.71 27.98 -14 1 7 79.62 28.58 -14 -1 7 157.05 43.10 -14 1 6 44.70 21.41 -14 -1 6 41.90 33.96 -14 1 5 38.00 26.53 -14 -1 5 40.98 32.26 -14 1 4 -6.05 18.87 -14 -1 4 -46.03 28.34 -14 1 3 175.90 36.91 -14 -1 3 103.78 38.63 -14 1 2 -6.01 14.48 -14 -1 2 -25.42 22.12 -14 1 1 -12.25 15.05 -14 -1 1 17.96 25.26 -14 1 0 9.26 23.51 -14 1 -1 150.99 35.09 -14 1 -2 36.59 23.14 -14 1 -3 39.97 26.66 -14 1 -4 5.26 18.37 -14 1 -5 163.14 35.35 -14 1 -6 26.28 23.42 -14 1 -7 7.05 19.15 -14 1 -8 34.52 20.54 -15 0 6 14.17 17.42 -15 0 5 17.13 19.88 -15 0 4 25.77 21.09 -15 0 3 50.64 21.79 -15 0 2 9.37 16.94 -15 0 1 23.81 19.02 -15 0 0 19.37 20.15 -15 0 -1 86.26 26.57 -15 0 -2 21.74 21.51 -15 0 -3 170.48 34.32 -15 1 11 -4.01 15.74 -15 1 10 -6.65 17.77 -15 1 9 1.68 16.36 TITL oir3 in P2(1)/n REM P2(1)/n (#14 in standard setting) CELL 0.71073 11.467880 3.885759 24.812557 90.0000 95.9359 90.0000 ZERR 5.00 0.001110 0.000409 0.003137 0.0000 0.0097 0.0000 LATT 1 SYMM -x+1/2, y+1/2,-z+1/2 SFAC C H N O UNIT 55.00 50.00 5.00 5.00 TREF HKLF 4 END _computing_structure_solution 'SHELXT 2014/4 (Sheldrick, 2014)' ; _shelx_hkl_checksum 89563 _olex2_date_sample_data_collection 2018-10-22 _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 1.207 _oxdiff_exptl_absorpt_empirical_full_min 0.867 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -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 Br1 Br 0.88231(5) -0.03752(13) 0.62817(2) 0.0262(2) Uani 1 1 d . . . . . N2 N 0.7043(4) 0.6433(11) 0.37219(17) 0.0187(10) Uani 1 1 d . . . . . N1 N 0.8253(4) 0.3844(11) 0.47530(18) 0.0220(10) Uani 1 1 d . . . . . N3 N 0.5352(4) 0.4476(10) 0.40032(17) 0.0202(10) Uani 1 1 d . . . . . C2 C 0.8079(5) 0.1238(13) 0.5613(2) 0.0199(12) Uani 1 1 d . . . . . C1 C 0.8733(5) 0.2639(13) 0.5236(2) 0.0227(13) Uani 1 1 d . . . . . H1 H 0.9560 0.2767 0.5318 0.027 Uiso 1 1 calc R . . . . C5 C 0.7080(4) 0.3632(12) 0.4655(2) 0.0175(11) Uani 1 1 d . . . . . C3 C 0.6872(5) 0.1036(13) 0.5513(2) 0.0237(12) Uani 1 1 d . . . . . H3 H 0.6406 0.0086 0.5771 0.028 Uiso 1 1 calc R . . . . C7 C 0.8264(4) 0.7444(13) 0.3713(2) 0.0238(13) Uani 1 1 d . . . . . H7A H 0.8483 0.9060 0.4009 0.036 Uiso 1 1 calc GR . . . . H7B H 0.8365 0.8552 0.3366 0.036 Uiso 1 1 calc GR . . . . H7C H 0.8766 0.5400 0.3757 0.036 Uiso 1 1 calc GR . . . . C6 C 0.6502(4) 0.4852(12) 0.4132(2) 0.0184(11) Uani 1 1 d . . . . . C10 C 0.5119(5) 0.9101(14) 0.2501(2) 0.0254(13) Uani 1 1 d . . . . . H10 H 0.5095 1.0199 0.2158 0.031 Uiso 1 1 calc R . . . . C8 C 0.6167(5) 0.7148(12) 0.3314(2) 0.0194(12) Uani 1 1 d . . . . . C9 C 0.6176(5) 0.8749(13) 0.2812(2) 0.0235(13) Uani 1 1 d . . . . . H9 H 0.6884 0.9564 0.2690 0.028 Uiso 1 1 calc R . . . . C13 C 0.5128(5) 0.5937(13) 0.3496(2) 0.0206(12) Uani 1 1 d . . . . . C4 C 0.6375(5) 0.2278(12) 0.5021(2) 0.0217(12) Uani 1 1 d . . . . . H4 H 0.5549 0.2203 0.4934 0.026 Uiso 1 1 calc R . . . . C11 C 0.4071(5) 0.7865(14) 0.2680(2) 0.0273(14) Uani 1 1 d . . . . . H11 H 0.3356 0.8137 0.2454 0.033 Uiso 1 1 calc R . . . . C12 C 0.4058(5) 0.6280(14) 0.3173(2) 0.0228(12) Uani 1 1 d . . . . . H12 H 0.3349 0.5445 0.3292 0.027 Uiso 1 1 calc R . . . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 Br1 0.0284(3) 0.0276(3) 0.0214(3) 0.0049(3) -0.0034(2) -0.0022(3) N2 0.018(2) 0.022(2) 0.016(2) -0.0014(18) 0.0023(19) 0.001(2) N1 0.020(2) 0.029(3) 0.017(2) 0.0050(19) 0.0028(19) 0.002(2) N3 0.018(2) 0.023(2) 0.020(2) -0.0002(19) 0.0012(18) -0.002(2) C2 0.021(3) 0.018(3) 0.020(3) -0.002(2) -0.002(2) -0.002(2) C1 0.017(3) 0.027(3) 0.024(3) 0.002(2) -0.002(2) -0.007(2) C5 0.024(3) 0.012(2) 0.016(3) -0.003(2) 0.004(2) -0.001(2) C3 0.027(3) 0.022(3) 0.023(3) 0.003(2) 0.010(2) -0.002(2) C7 0.023(3) 0.031(3) 0.018(3) 0.006(2) 0.005(2) -0.002(2) C6 0.022(3) 0.017(3) 0.017(3) -0.002(2) 0.004(2) -0.002(2) C10 0.034(3) 0.028(3) 0.013(3) 0.000(2) -0.003(2) 0.004(3) C8 0.026(3) 0.016(3) 0.016(3) -0.004(2) 0.002(2) 0.001(2) C9 0.028(3) 0.020(3) 0.025(3) 0.001(2) 0.010(2) 0.003(2) C13 0.026(3) 0.019(3) 0.017(3) -0.007(2) 0.001(2) -0.001(2) C4 0.017(3) 0.024(3) 0.023(3) 0.003(2) 0.000(2) -0.001(2) C11 0.037(4) 0.029(3) 0.013(3) -0.001(2) -0.010(3) 0.009(3) C12 0.021(3) 0.031(3) 0.016(3) -0.004(2) 0.001(2) 0.000(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' 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 C6 N2 C7 129.3(4) . . ? C8 N2 C7 124.3(4) . . ? C8 N2 C6 106.3(4) . . ? C5 N1 C1 116.7(4) . . ? C6 N3 C13 105.1(4) . . ? C1 C2 Br1 120.1(4) . . ? C1 C2 C3 120.5(5) . . ? C3 C2 Br1 119.4(4) . . ? N1 C1 C2 122.8(5) . . ? N1 C1 H1 118.6 . . ? C2 C1 H1 118.6 . . ? N1 C5 C6 119.4(4) . . ? N1 C5 C4 123.1(5) . . ? C4 C5 C6 117.5(5) . . ? C2 C3 H3 121.5 . . ? C4 C3 C2 117.0(5) . . ? C4 C3 H3 121.5 . . ? N2 C7 H7A 109.5 . . ? N2 C7 H7B 109.5 . . ? N2 C7 H7C 109.5 . . ? H7A C7 H7B 109.5 . . ? H7A C7 H7C 109.5 . . ? H7B C7 H7C 109.5 . . ? N2 C6 C5 126.4(4) . . ? N3 C6 N2 112.3(4) . . ? N3 C6 C5 121.3(4) . . ? C9 C10 H10 119.3 . . ? C9 C10 C11 121.3(5) . . ? C11 C10 H10 119.3 . . ? N2 C8 C9 132.4(5) . . ? N2 C8 C13 106.0(4) . . ? C9 C8 C13 121.6(5) . . ? C10 C9 C8 117.3(5) . . ? C10 C9 H9 121.3 . . ? C8 C9 H9 121.3 . . ? N3 C13 C8 110.4(5) . . ? N3 C13 C12 129.1(5) . . ? C8 C13 C12 120.6(5) . . ? C5 C4 H4 120.0 . . ? C3 C4 C5 119.9(5) . . ? C3 C4 H4 120.0 . . ? C10 C11 H11 119.2 . . ? C12 C11 C10 121.6(5) . . ? C12 C11 H11 119.2 . . ? C13 C12 H12 121.2 . . ? C11 C12 C13 117.6(5) . . ? C11 C12 H12 121.2 . . ? loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag Br1 C2 1.893(5) . ? N2 C7 1.457(6) . ? N2 C6 1.388(6) . ? N2 C8 1.379(6) . ? N1 C1 1.349(6) . ? N1 C5 1.345(6) . ? N3 C6 1.332(6) . ? N3 C13 1.381(7) . ? C2 C1 1.371(7) . ? C2 C3 1.384(7) . ? C1 H1 0.9500 . ? C5 C6 1.473(7) . ? C5 C4 1.381(7) . ? C3 H3 0.9500 . ? C3 C4 1.379(7) . ? C7 H7A 0.9800 . ? C7 H7B 0.9800 . ? C7 H7C 0.9800 . ? C10 H10 0.9500 . ? C10 C9 1.375(8) . ? C10 C11 1.409(8) . ? C8 C9 1.393(7) . ? C8 C13 1.398(7) . ? C9 H9 0.9500 . ? C13 C12 1.401(7) . ? C4 H4 0.9500 . ? C11 H11 0.9500 . ? C11 C12 1.371(7) . ? C12 H12 0.9500 . ?