#------------------------------------------------------------------------------ #$Date: 2025-01-30 01:52:54 +0200 (Thu, 30 Jan 2025) $ #$Revision: 297532 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/57/38/1573812.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_1573812 _journal_paper_doi 10.1039/D4DT03382E _chemical_formula_sum 'C14 H14 In N2 Na O5 S2' _chemical_formula_weight 492.20 _space_group_crystal_system monoclinic _space_group_IT_number 14 _space_group_name_Hall '-P 2ybc' _space_group_name_H-M_alt 'P 1 21/c 1' _atom_sites_solution_hydrogens mixed _audit_creation_method SHELXL-2018/3 _audit_update_record ; 2024-11-26 deposited with the CCDC. 2025-01-29 downloaded from the CCDC. ; _cell_angle_alpha 90 _cell_angle_beta 110.678(2) _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 15.7350(3) _cell_length_b 7.94580(10) _cell_length_c 14.7384(3) _cell_measurement_reflns_used 20180 _cell_measurement_temperature 293(2) _cell_measurement_theta_max 26.7460 _cell_measurement_theta_min 2.7610 _cell_volume 1723.99(6) _computing_structure_refinement 'SHELXL-2018/3 (Sheldrick, 2018)' _computing_structure_solution 'SHELXT 2018/2 (Sheldrick, 2018)' _diffrn_ambient_temperature 293(2) _diffrn_detector_area_resol_mean 10.0000 _diffrn_measured_fraction_theta_full 0.997 _diffrn_measured_fraction_theta_max 0.969 _diffrn_measurement_device_type 'XtaLAB Synergy, Dualflex, HyPix3000' _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0529 _diffrn_reflns_av_unetI/netI 0.0288 _diffrn_reflns_Laue_measured_fraction_full 0.997 _diffrn_reflns_Laue_measured_fraction_max 0.969 _diffrn_reflns_limit_h_max 20 _diffrn_reflns_limit_h_min -20 _diffrn_reflns_limit_k_max 10 _diffrn_reflns_limit_k_min -9 _diffrn_reflns_limit_l_max 18 _diffrn_reflns_limit_l_min -18 _diffrn_reflns_number 36996 _diffrn_reflns_point_group_measured_fraction_full 0.997 _diffrn_reflns_point_group_measured_fraction_max 0.969 _diffrn_reflns_theta_full 25.000 _diffrn_reflns_theta_max 27.056 _diffrn_reflns_theta_min 2.785 _exptl_absorpt_coefficient_mu 1.666 _exptl_absorpt_correction_T_max 1.00000 _exptl_absorpt_correction_T_min 0.34772 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details ; CrysAlisPro 1.171.42.49 (Rigaku Oxford Diffraction, 2022) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm. ; _exptl_crystal_colour 'yellowish oreange' _exptl_crystal_density_diffrn 1.896 _exptl_crystal_description block _exptl_crystal_F_000 976 _exptl_crystal_size_max 0.028 _exptl_crystal_size_mid 0.026 _exptl_crystal_size_min 0.024 _refine_diff_density_max 0.357 _refine_diff_density_min -0.555 _refine_diff_density_rms 0.085 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.065 _refine_ls_hydrogen_treatment mixed _refine_ls_matrix_type full _refine_ls_number_parameters 230 _refine_ls_number_reflns 3676 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 1.065 _refine_ls_R_factor_all 0.0333 _refine_ls_R_factor_gt 0.0273 _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^)+(0.0286P)^2^+0.9262P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0621 _refine_ls_wR_factor_ref 0.0666 _reflns_Friedel_coverage 0.000 _reflns_number_gt 3230 _reflns_number_total 3676 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file d4dt03382e2.cif _cod_data_source_block shelx _cod_original_sg_symbol_H-M 'P 21/c' _cod_database_code 1573812 _shelx_shelxl_version_number 2018/3 _shelx_space_group_comment ; The symmetry employed for this shelxl refinement is uniquely defined by the following loop, which should always be used as a source of symmetry information in preference to the above space-group names. They are only intended as comments. ; _shelx_res_file ; TITL in-3rajesh_a.res in P2(1)/c shelx.res created by SHELXL-2018/3 at 18:23:19 on 26-Nov-2024 CELL 0.71073 15.7350 7.9458 14.7384 90.000 110.678 90.000 ZERR 4.00 0.0003 0.0001 0.0003 0.000 0.002 0.000 LATT 1 SYMM - X, 1/2 + Y, 1/2 - Z SFAC C H N O NA S IN UNIT 56 56 8 20 4 8 4 MERG 2 OMIT -9 9 2 OMIT -5 4 15 OMIT -1 0 4 OMIT 2 0 0 OMIT 4 0 0 OMIT 5 1 13 OMIT 6 7 3 OMIT 8 3 0 OMIT 15 2 0 MORE -1 FMAP 2 53 53 PLAN 5 ACTA 50.00 BOND BOND $H CONF LIST 6 L.S. 30 WGHT 0.028600 0.926200 FVAR 0.36407 C1 1 0.145682 0.589401 0.314293 11.00000 0.03206 0.03087 = 0.02707 -0.00283 0.00954 -0.00209 C10 1 0.340386 1.112938 0.468353 11.00000 0.03293 0.02909 = 0.03178 0.00247 0.00591 0.00206 C3 1 0.111796 1.135565 0.139751 11.00000 0.03179 0.03933 = 0.03610 0.00184 0.01391 -0.00116 C9 1 0.402830 1.137383 0.414334 11.00000 0.02885 0.02905 = 0.03666 0.00568 0.00461 0.00244 C8 1 0.482301 1.230006 0.450885 11.00000 0.03784 0.04998 = 0.04537 0.00124 0.00294 -0.01061 AFIX 43 H8 2 0.496075 1.287485 0.509295 11.00000 -1.20000 AFIX 0 C14 1 0.212749 0.977513 0.474594 11.00000 0.03679 0.04429 = 0.04231 -0.00410 0.01799 -0.00508 AFIX 43 H14 2 0.162968 0.908061 0.445469 11.00000 -1.20000 AFIX 0 C13 1 0.226046 1.041221 0.565591 11.00000 0.05823 0.05064 = 0.04550 -0.00246 0.03031 -0.00011 AFIX 43 H13 2 0.186912 1.012885 0.597958 11.00000 -1.20000 AFIX 0 C11 1 0.355177 1.183787 0.558238 11.00000 0.05092 0.04551 = 0.03950 -0.01170 0.00762 -0.00771 AFIX 43 H11 2 0.403913 1.256429 0.585454 11.00000 -1.20000 AFIX 0 C5 1 0.437337 1.066414 0.279494 11.00000 0.03929 0.04457 = 0.05092 0.00511 0.02132 0.00200 AFIX 43 H5 2 0.421374 1.012052 0.219918 11.00000 -1.20000 AFIX 0 C2 1 0.238352 0.506755 0.348842 11.00000 0.03753 0.03720 = 0.05324 0.01040 0.01515 0.00405 AFIX 23 H2A 2 0.233720 0.403972 0.311888 11.00000 -1.20000 H2B 2 0.252390 0.474266 0.416006 11.00000 -1.20000 AFIX 0 C6 1 0.518501 1.153345 0.313478 11.00000 0.03655 0.06116 = 0.06403 0.01905 0.02551 0.00133 AFIX 43 H6 2 0.557246 1.155476 0.278259 11.00000 -1.20000 AFIX 0 C7 1 0.540626 1.236246 0.400101 11.00000 0.03301 0.06579 = 0.06648 0.01145 0.00803 -0.01593 AFIX 43 H7 2 0.594689 1.296347 0.424446 11.00000 -1.20000 AFIX 0 C12 1 0.297857 1.146843 0.607333 11.00000 0.06617 0.06264 = 0.03689 -0.01356 0.02067 -0.00375 AFIX 43 H12 2 0.307745 1.193056 0.668186 11.00000 -1.20000 AFIX 0 C4 1 0.134832 1.032880 0.064154 11.00000 0.04531 0.05922 = 0.03306 -0.00581 0.00985 0.00907 AFIX 23 H4A 2 0.144294 1.110885 0.017985 11.00000 -1.20000 H4B 2 0.082094 0.965302 0.029128 11.00000 -1.20000 AFIX 0 N1 3 0.380758 1.057511 0.329180 11.00000 0.03013 0.03281 = 0.03936 0.00366 0.01352 -0.00259 O1 4 0.007511 0.135413 0.412581 11.00000 0.08009 0.08972 = 0.04960 0.00332 0.01579 -0.03298 AFIX 83 H1 2 -0.011669 0.038550 0.404158 11.00000 -1.50000 AFIX 0 IN1 7 0.249293 0.889984 0.278137 11.00000 0.02682 0.02903 = 0.03123 -0.00102 0.01064 -0.00168 S1 6 0.333889 0.624988 0.341645 11.00000 0.02663 0.04038 = 0.05315 0.00556 0.01139 0.00507 S2 6 0.231193 0.895521 0.105326 11.00000 0.05757 0.05307 = 0.03552 -0.00120 0.02131 0.01678 NA1 5 0.026770 0.233947 0.270324 11.00000 0.03066 0.03372 = 0.04592 -0.00245 0.01524 -0.00318 O4 4 0.149152 1.099185 0.229516 11.00000 0.03885 0.03863 = 0.03014 0.00097 0.01348 0.00710 O3 4 0.137181 0.745451 0.292851 11.00000 0.02439 0.02703 = 0.04674 0.00300 0.01106 -0.00091 O2 4 0.079778 0.501037 0.309361 11.00000 0.03537 0.03013 = 0.05515 -0.00039 0.01730 -0.00711 O5 4 0.055821 1.250991 0.110031 11.00000 0.04708 0.05497 = 0.03927 0.00831 0.01637 0.01733 N2 3 0.268688 1.011735 0.426564 11.00000 0.03188 0.02992 = 0.03125 -0.00134 0.00995 -0.00128 H002 2 -0.013349 0.209436 0.443804 11.00000 0.12070 HKLF 4 REM in-3rajesh_a.res in P2(1)/c REM wR2 = 0.0666, GooF = S = 1.065, Restrained GooF = 1.065 for all data REM R1 = 0.0273 for 3230 Fo > 4sig(Fo) and 0.0333 for all 3676 data REM 230 parameters refined using 0 restraints END WGHT 0.0282 1.0050 REM Highest difference peak 0.357, deepest hole -0.555, 1-sigma level 0.085 Q1 1 0.0093 0.1597 0.4795 11.00000 0.05 0.36 Q2 1 -0.0160 0.2370 0.4062 11.00000 0.05 0.36 Q3 1 0.1604 0.9038 0.1021 11.00000 0.05 0.33 Q4 1 0.2506 0.5566 0.4651 11.00000 0.05 0.29 Q5 1 0.2562 0.7696 0.2800 11.00000 0.05 0.29 ; _shelx_res_checksum 39022 _shelx_hkl_file ; 0 0 2 4519.06 141.17 0 0 -2 4608.99 141.04 0 0 2 4709.03 143.02 0 0 -2 4552.68 140.78 0 0 -2 4824.69 140.98 0 0 2 4869.23 140.92 0 0 -2 4487.45 140.95 0 0 -2 4339.49 138.50 0 0 2 4342.64 138.39 0 0 3 0.37 0.57 0 0 -3 1.05 0.77 0 0 3 -0.49 0.01 0 0 -3 0.72 0.79 0 0 -3 0.67 0.73 0 0 3 0.32 0.51 0 0 3 0.35 0.39 0 0 -3 -0.33 0.36 0 0 -3 0.91 0.60 0 0 3 0.68 0.53 0 0 3 1.00 0.67 0 0 -4 207.60 12.76 0 0 4 212.48 14.67 0 0 -4 253.68 13.53 0 0 4 192.95 11.99 0 0 -4 209.99 13.23 0 0 4 190.45 12.51 0 0 -4 207.36 12.34 0 0 -4 196.43 10.11 0 0 4 198.52 11.03 0 0 -4 210.43 9.62 0 0 4 204.20 9.91 0 0 4 185.67 13.52 0 0 -5 -0.57 0.89 0 0 5 -0.82 1.27 0 0 -5 0.61 1.15 0 0 5 1.17 1.12 0 0 -5 1.05 1.16 0 0 -5 -0.56 0.61 0 0 5 0.52 0.57 0 0 5 0.41 0.77 0 0 -5 1.24 0.77 0 0 5 1.37 0.85 0 0 5 0.77 0.84 0 0 5 -0.76 1.18 0 0 -6 2271.74 81.34 0 0 6 2332.28 86.38 0 0 6 2178.05 79.54 0 0 6 2089.50 80.46 0 0 -6 2485.03 81.97 0 0 -6 2122.45 81.07 0 0 -6 2152.86 75.48 0 0 -6 2164.28 73.72 0 0 6 2206.86 84.48 0 0 6 2185.39 77.00 0 0 6 2147.44 84.56 0 0 6 2116.08 74.15 0 0 7 1.26 1.54 0 0 -7 0.80 1.25 0 0 7 3.41 2.50 0 0 -7 0.86 0.95 0 0 -7 0.79 1.22 0 0 7 0.67 1.05 0 0 7 -0.81 1.27 0 0 7 -1.13 0.01 0 0 -7 -0.35 0.55 0 0 -7 0.94 0.90 0 0 7 0.55 1.05 0 0 7 0.74 0.81 0 0 7 1.10 1.72 0 0 8 39.63 6.16 0 0 -8 33.94 6.53 0 0 8 23.31 6.28 0 0 8 30.99 5.53 0 0 -8 24.76 5.74 0 0 -8 34.37 6.52 0 0 -8 28.34 4.67 0 0 8 37.80 5.62 0 0 8 30.79 4.23 0 0 8 42.47 8.31 0 0 8 36.94 7.87 0 0 9 -0.80 1.52 0 0 -9 1.03 1.13 0 0 9 1.45 1.59 0 0 9 0.79 1.23 0 0 9 0.94 1.04 0 0 -9 1.12 1.23 0 0 -9 -1.03 2.25 0 0 9 -1.02 1.58 0 0 9 1.03 1.60 0 0 9 -1.52 2.36 0 0 9 -1.47 1.62 0 0 -10 165.73 16.54 0 0 -10 141.94 16.02 0 0 10 147.99 15.43 0 0 10 144.96 15.42 0 0 10 167.71 19.55 0 0 10 154.64 18.91 0 0 11 -1.92 2.11 0 0 11 -1.25 2.74 0 0 -11 -1.39 1.53 0 0 11 -1.85 2.87 0 0 12 76.27 14.96 0 0 -12 109.78 15.22 0 0 12 70.76 11.59 0 0 12 92.90 16.07 0 0 13 -1.47 0.03 0 0 -13 -1.66 3.16 0 0 14 104.94 19.41 0 0 -14 132.29 18.20 0 0 14 128.85 16.56 0 0 14 128.81 21.72 0 0 15 2.67 2.93 0 0 15 5.45 5.19 0 0 15 1.67 1.84 0 0 16 356.12 37.59 0 0 16 349.69 30.23 0 0 16 352.77 37.66 0 0 17 -2.95 5.61 0 0 17 -1.83 3.49 0 1 0 0.25 0.54 0 1 0 0.18 0.28 0 -1 0 1.48 0.64 0 -1 0 -0.27 0.42 0 -1 0 -0.21 0.00 0 1 0 -0.21 0.23 0 -1 0 -0.31 0.49 0 1 0 -0.26 0.00 0 1 0 0.66 0.54 0 1 0 0.98 0.60 0 1 0 -0.21 0.33 0 -1 0 0.21 0.33 0 -1 0 -0.26 0.40 0 1 1 342.17 15.31 0 1 -1 330.02 14.34 0 1 -1 336.85 13.75 0 -1 1 325.82 14.29 0 -1 1 334.03 13.65 0 1 -1 318.07 13.26 0 -1 1 358.22 14.47 0 1 1 313.47 14.98 0 1 1 322.77 13.11 0 -1 -1 305.24 13.00 0 1 -1 294.52 12.87 0 -1 1 341.05 13.22 0 1 -1 361.72 14.21 0 -1 1 277.81 13.80 0 1 -1 343.59 14.67 0 1 1 328.38 13.72 0 1 -1 359.06 15.27 0 1 -1 331.76 14.73 0 -1 1 327.60 15.07 0 -1 1 336.59 13.38 0 -1 -1 331.41 15.53 0 -1 1 353.83 15.62 0 1 1 348.63 15.50 0 1 1 360.51 15.80 0 1 -1 352.60 13.36 0 -1 -1 334.45 15.20 0 1 -2 309.25 12.89 0 -1 2 320.77 12.69 0 1 -2 347.10 15.64 0 1 2 318.94 14.71 0 1 -2 262.51 13.97 0 -1 2 232.15 13.71 0 -1 2 312.68 14.70 0 -1 -2 260.72 14.06 0 -1 -2 315.86 13.56 0 -1 2 297.58 14.94 0 1 -2 298.67 15.12 0 1 -2 356.33 15.96 0 -1 -2 295.66 15.78 0 1 -2 269.61 13.82 0 -1 -2 330.40 16.19 0 -1 2 294.57 14.01 0 -1 -2 306.76 15.81 0 1 2 311.96 15.60 0 1 -3 362.59 13.65 0 1 -3 306.67 12.92 0 1 -3 260.79 15.99 0 1 3 317.16 16.90 0 -1 -3 268.32 16.15 0 -1 -3 289.49 13.37 0 -1 3 315.88 16.92 0 1 -3 308.45 16.67 0 -1 3 296.06 17.62 0 -1 -3 300.14 14.68 0 -1 3 304.43 16.37 0 1 3 291.27 14.75 0 -1 -3 335.93 15.64 0 -1 -3 309.17 17.05 0 -1 3 305.43 13.94 0 1 3 304.39 16.52 0 -1 -3 309.71 17.26 0 1 -3 319.52 14.67 0 -1 3 301.41 15.75 0 -1 -3 305.00 17.44 0 -1 4 1905.22 63.95 0 -1 4 2082.00 68.02 0 -1 -4 1683.67 71.38 0 1 -4 2169.65 73.02 0 1 -4 1756.66 71.79 0 -1 4 2019.13 73.17 0 1 4 2027.87 73.03 0 -1 -4 2010.94 64.96 0 -1 -4 1987.42 69.87 0 1 4 1896.59 69.35 0 -1 4 1934.30 73.52 0 -1 -4 1975.05 65.38 0 -1 -4 1948.86 68.55 0 1 4 1928.32 69.27 0 -1 4 1986.20 71.13 0 -1 -4 1988.94 72.82 0 1 4 2008.17 71.23 0 1 4 1875.12 73.93 0 1 -4 1995.77 67.22 0 -1 4 1926.44 65.53 0 -1 4 1954.09 68.64 0 -1 -5 572.20 29.64 0 -1 5 574.95 26.09 0 -1 5 537.18 21.56 0 -1 5 613.26 21.35 0 1 5 600.32 30.72 0 -1 5 605.30 30.85 0 -1 -5 607.65 28.12 0 -1 5 549.72 29.95 0 -1 5 591.12 28.51 0 -1 -5 591.39 24.34 0 -1 -5 577.05 26.27 0 1 5 593.02 27.61 0 1 5 606.16 27.61 0 1 -5 560.60 24.20 0 -1 5 573.27 22.75 0 1 5 586.14 28.17 0 -1 5 574.16 25.38 0 1 5 563.08 31.30 0 -1 -5 609.01 30.16 0 -1 -5 588.72 22.90 0 -1 -6 416.64 25.22 0 -1 6 421.88 22.76 0 -1 6 440.81 17.59 0 -1 6 380.28 16.80 0 1 6 457.86 27.22 0 -1 6 401.31 25.92 0 1 -6 468.57 25.83 0 1 6 418.94 23.10 0 -1 -6 392.20 20.07 0 -1 6 473.05 27.01 0 -1 -6 458.67 22.76 0 -1 -6 457.11 24.25 0 -1 6 441.78 24.33 0 1 -6 414.10 19.62 0 1 6 434.65 27.86 0 -1 6 390.78 19.92 0 -1 6 426.54 18.09 0 -1 6 428.87 17.40 0 1 6 437.82 23.79 0 -1 -6 430.96 18.87 0 -1 7 2025.45 78.07 0 -1 7 1773.07 68.45 0 -1 -7 2149.02 82.75 0 -1 7 2255.40 70.84 0 -1 7 2316.43 86.45 0 1 7 2249.47 85.43 0 -1 -7 2103.94 80.11 0 1 -7 2288.89 83.08 0 -1 7 2272.90 83.94 0 -1 -7 1987.98 74.18 0 -1 -7 2135.91 77.27 0 1 7 2048.06 78.67 0 -1 7 2208.41 80.61 0 1 7 2112.15 78.81 0 -1 7 2149.23 82.93 0 -1 7 2073.20 73.38 0 1 7 2087.65 86.69 0 -1 7 2154.88 70.35 0 -1 -7 2048.31 71.86 0 1 -7 1966.96 72.11 0 -1 -8 123.20 13.69 0 -1 8 139.54 15.67 0 1 8 110.95 13.93 0 -1 8 133.78 14.01 0 1 -8 111.48 13.25 0 -1 8 100.80 11.74 0 -1 -8 120.51 11.63 0 -1 -8 114.37 12.51 0 -1 8 129.44 13.21 0 1 8 115.07 12.36 0 -1 8 124.85 9.77 0 1 8 128.88 12.42 0 -1 8 138.80 14.33 0 -1 8 116.09 13.65 0 1 8 107.44 14.56 0 -1 -8 108.49 8.91 0 1 8 102.43 14.32 0 1 9 606.19 34.13 0 -1 -9 603.62 35.56 0 -1 9 615.42 38.17 0 1 9 646.66 38.77 0 -1 9 547.94 34.02 0 -1 9 550.00 32.48 0 -1 -9 648.60 32.55 0 1 9 612.54 34.12 0 1 9 596.39 33.69 0 -1 9 572.05 33.28 0 1 9 576.04 32.67 0 -1 9 511.07 32.07 0 -1 -9 567.01 33.74 0 -1 9 637.19 36.91 0 -1 9 573.09 36.29 0 1 9 560.87 38.90 0 1 9 575.48 39.46 0 -1 -10 336.32 25.96 0 1 10 343.84 25.04 0 1 10 312.60 23.96 0 -1 10 314.50 23.61 0 -1 10 342.48 24.76 0 1 10 280.34 22.50 0 -1 10 309.90 24.03 0 -1 -10 322.52 24.68 0 -1 10 327.27 27.37 0 1 10 335.52 29.96 0 1 10 342.53 30.36 0 -1 10 349.31 27.24 0 -1 -11 433.08 30.94 0 1 11 373.82 27.76 0 -1 11 359.66 26.84 0 -1 11 355.42 26.32 0 -1 -11 380.83 28.46 0 -1 11 365.38 31.05 0 1 11 381.17 33.92 0 1 11 458.43 36.82 0 -1 -12 387.23 29.83 0 1 12 285.46 25.01 0 -1 12 300.23 24.75 0 -1 -12 336.62 27.49 0 1 12 353.59 33.42 0 -1 12 302.27 29.44 0 1 12 326.58 32.22 0 -1 -13 206.63 21.92 0 -1 13 173.87 18.42 0 -1 -13 162.74 19.24 0 1 13 162.19 18.95 0 -1 13 149.47 21.01 0 1 13 167.88 23.63 0 1 13 189.33 25.02 0 -1 14 9.23 5.68 0 1 14 5.33 5.08 0 -1 14 2.59 4.04 0 1 14 7.54 6.18 0 -1 14 7.51 4.37 0 1 14 6.57 4.43 0 -1 -14 12.17 5.41 0 1 14 5.17 4.93 0 1 15 14.23 7.68 0 1 15 17.48 6.95 0 -1 15 7.96 3.94 0 -1 -15 29.81 9.17 0 1 15 21.24 8.77 0 -1 15 24.70 9.55 0 1 -15 22.08 8.95 0 1 16 -3.01 6.61 0 -1 -16 -1.98 3.07 0 -1 16 -1.68 4.52 0 1 16 -2.78 5.29 0 -1 16 2.87 4.46 0 1 17 -3.14 4.88 0 -2 0 417.62 20.67 0 2 0 409.76 20.62 0 -2 0 419.68 21.46 0 2 0 410.96 20.72 0 2 0 417.36 19.52 0 2 0 428.40 21.19 0 -2 0 433.32 20.20 0 -2 0 439.63 22.66 0 2 0 405.29 19.93 0 2 0 434.50 18.84 0 2 0 419.02 19.85 0 -2 0 393.87 20.74 0 2 0 410.10 18.78 0 -2 0 431.29 19.33 0 -2 0 452.41 20.29 0 2 0 433.65 20.84 0 -2 1 132.81 10.54 0 2 -1 157.52 10.30 0 2 -1 146.84 8.38 0 -2 1 138.76 9.76 0 2 1 154.29 11.18 0 2 1 141.65 10.62 0 -2 1 138.85 8.67 0 -2 1 142.49 10.17 0 -2 -1 133.65 11.07 0 2 -1 132.30 9.68 0 -2 1 149.96 10.60 0 -2 -1 130.26 11.14 0 -2 1 159.82 12.30 0 2 1 143.67 11.26 0 2 1 131.06 11.07 0 2 -1 152.26 10.73 0 2 1 148.55 9.80 0 -2 -1 146.52 9.98 0 -2 1 130.08 9.75 0 2 -1 149.87 10.67 0 2 -1 142.49 10.02 0 2 -1 154.32 10.37 0 -2 1 132.61 9.60 0 -2 -1 106.63 10.01 0 -2 1 137.54 8.68 0 2 1 142.90 10.85 0 2 1 143.23 10.94 0 2 1 137.82 10.06 0 2 -1 147.90 9.79 0 -2 -1 129.78 9.85 0 -2 -1 150.20 10.98 0 -2 -2 19.62 3.95 0 2 2 13.71 3.32 0 -2 2 16.40 2.23 0 -2 2 14.86 3.06 0 2 2 16.44 3.63 0 -2 2 11.77 2.52 0 2 2 17.24 3.87 0 -2 2 17.06 3.29 0 2 2 14.71 2.55 0 -2 2 11.88 3.46 0 2 -2 17.33 3.08 0 -2 2 14.82 2.55 0 2 2 14.00 3.38 0 2 -2 12.41 2.35 0 2 2 14.73 2.83 0 -2 2 14.98 3.45 0 2 -2 23.28 4.01 0 2 -2 19.64 3.84 0 -2 2 13.09 2.85 0 -2 2 10.49 2.68 0 2 2 9.42 2.88 0 2 2 23.96 4.60 0 -2 -2 17.35 3.83 0 -2 2 12.98 2.52 0 -2 2 17.15 3.85 0 -2 3 835.39 33.08 0 -2 3 888.09 34.31 0 2 3 884.47 38.23 0 2 -3 862.08 34.40 0 2 3 899.97 35.39 0 -2 3 894.29 35.57 0 -2 3 890.00 33.78 0 -2 3 864.96 35.57 0 2 3 865.49 37.22 0 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126.44 10.42 0 3 3 138.32 13.23 0 3 -3 133.37 9.78 0 3 3 114.66 12.31 0 -3 3 133.65 11.91 0 -3 3 142.62 14.47 0 -3 3 117.55 8.33 0 3 3 110.77 11.94 0 3 -3 118.79 10.31 0 -3 3 117.50 10.79 0 3 -3 159.09 13.21 0 3 3 113.13 10.02 0 3 -3 135.88 13.11 0 -3 3 116.41 11.58 0 -3 3 122.38 12.45 0 -3 -3 132.78 13.18 0 3 3 119.54 12.53 0 -3 3 127.63 13.34 0 3 3 108.84 12.03 0 -3 3 119.30 9.95 0 3 3 115.23 12.94 0 -3 -3 136.89 12.87 0 -3 4 1352.05 47.04 0 3 -4 1293.54 45.66 0 -3 4 1328.75 51.08 0 3 4 1281.83 56.88 0 -3 4 1453.47 53.25 0 3 4 1278.69 55.93 0 -3 4 1280.10 53.80 0 3 4 1397.73 52.47 0 3 4 1272.46 58.07 0 -3 4 1452.33 53.17 0 -3 4 1439.10 60.81 0 3 4 1270.00 50.91 0 -3 4 1248.36 54.14 0 -3 4 1307.04 55.63 0 3 -4 1253.13 57.60 0 -3 4 1437.94 60.18 0 3 -4 1466.36 57.48 0 -3 4 1359.97 49.58 0 3 4 1256.37 59.34 0 3 4 1359.92 58.07 0 -3 4 1241.43 43.56 0 -3 4 1338.41 57.25 0 -3 -4 1313.49 58.14 0 -3 -4 1329.49 57.47 0 3 4 1302.13 58.83 0 3 5 330.66 23.22 0 3 -5 346.65 18.34 0 -3 5 344.14 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99.88 15.50 0 -3 11 56.39 10.19 0 -3 -11 55.20 10.29 0 -3 11 100.56 16.23 0 3 11 66.81 15.07 0 -3 -12 879.35 54.46 0 3 12 1015.87 57.38 0 3 12 979.45 57.65 0 3 -12 911.16 55.15 0 -3 12 995.68 59.44 0 -3 12 924.68 56.44 0 -3 -12 854.40 48.67 0 -3 12 727.34 44.77 0 3 12 934.29 61.45 0 3 12 816.17 59.83 0 -3 -13 18.11 7.67 0 3 13 2.71 4.21 0 3 13 2.14 3.34 0 3 -13 18.82 7.63 0 -3 13 9.29 6.76 0 -3 13 12.56 5.09 0 -3 13 8.03 5.41 0 3 13 5.74 5.46 0 3 14 90.02 19.20 0 -3 -14 168.82 21.67 0 3 -14 114.82 19.01 0 -3 14 161.17 23.23 0 3 14 116.10 19.70 0 -3 14 82.13 13.17 0 3 14 130.70 23.17 0 3 15 3.09 4.80 0 -3 -15 2.19 3.41 0 -3 15 5.24 4.99 0 3 -15 2.39 2.63 0 3 15 7.18 5.26 0 -3 15 1.54 2.94 0 3 15 6.38 6.07 0 3 16 9.77 7.16 0 -3 -16 4.55 5.01 0 -3 16 24.61 9.51 0 3 16 9.97 6.72 0 -3 16 3.20 3.94 0 3 16 6.62 7.28 0 4 0 1763.06 72.08 0 -4 0 1830.37 76.02 0 -4 0 1696.18 71.17 0 4 0 1722.35 71.35 0 -4 0 1760.62 74.36 0 -4 0 1857.97 76.76 0 4 0 1812.00 68.66 0 4 0 1805.34 70.54 0 4 0 1722.00 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935.43 38.82 -1 -2 7 998.08 44.81 -1 -2 7 1064.77 49.02 -1 2 7 987.37 47.18 -1 -2 7 932.93 49.41 -1 2 7 928.62 39.40 -1 -2 7 1015.54 46.33 1 -2 -7 892.83 43.15 1 -2 -7 968.29 41.33 -1 -2 7 868.44 43.05 -1 2 7 898.84 45.01 -1 -2 7 930.99 40.31 1 -2 -7 989.56 47.52 -1 -2 7 982.95 42.20 -1 -2 7 925.56 36.15 -1 -2 6 1.24 0.91 1 2 -6 0.90 1.70 1 -2 -6 0.75 0.92 -1 2 6 2.79 1.77 -1 2 6 2.08 1.98 -1 -2 6 -0.84 1.61 -1 2 6 -0.55 1.21 -1 -2 6 0.98 1.87 1 -2 -6 0.61 0.95 -1 -2 6 0.91 2.01 1 -2 -6 1.51 1.66 -1 -2 6 2.38 2.27 -1 -2 6 -0.86 1.34 -1 2 6 -0.95 1.48 -1 -2 6 -0.75 1.17 1 -2 -6 1.02 1.13 -1 -2 6 0.49 1.07 -1 -2 6 -0.46 0.87 1 -2 -6 1.07 1.66 -1 -2 5 1911.28 64.25 1 2 -5 2060.19 68.56 -1 -2 5 1898.46 64.47 -1 2 5 1762.38 68.00 1 2 -5 1747.44 71.56 -1 -2 5 1988.34 71.79 -1 -2 5 1922.85 73.28 -1 -2 5 1955.61 68.56 -1 2 5 1799.54 71.94 -1 2 5 1790.97 74.42 -1 -2 5 2033.98 73.81 -1 -2 5 1802.45 72.53 -1 -2 5 1848.42 70.99 1 -2 -5 1942.53 68.97 1 -2 -5 1788.07 69.83 -1 -2 5 1929.30 73.47 -1 -2 5 1912.56 68.41 1 -2 -5 1790.00 74.28 -1 2 5 1849.34 73.81 1 -2 -5 1867.28 75.55 1 -2 -4 -0.83 1.29 -1 -2 4 1.92 1.00 1 2 -4 5.79 1.82 -1 2 4 3.89 1.73 -1 -2 4 1.92 1.41 -1 -2 4 5.40 1.85 -1 -2 4 3.71 2.00 -1 -2 4 4.53 2.01 -1 2 4 3.39 2.08 -1 2 4 2.47 1.52 -1 -2 4 1.73 0.90 1 -2 -4 2.80 0.97 -1 -2 4 2.33 1.57 -1 -2 4 3.44 1.85 1 -2 -4 1.06 1.02 -1 -2 4 6.25 2.60 -1 2 4 1.59 1.75 -1 -2 4 1.72 1.26 1 -2 -4 2.62 1.92 -1 -2 3 71.85 6.54 -1 -2 3 78.13 6.82 1 2 -3 67.47 5.03 -1 2 3 72.27 6.86 1 -2 -3 69.63 7.34 -1 -2 3 78.04 8.02 1 2 -3 89.76 6.82 -1 -2 3 72.85 8.42 -1 2 3 70.30 8.57 -1 2 3 78.29 7.82 1 2 -3 74.13 8.11 -1 -2 3 59.06 7.81 -1 -2 3 69.09 7.54 1 -2 -3 62.85 7.91 -1 2 3 84.08 9.05 -1 2 3 75.28 8.78 1 -2 -3 78.78 9.03 -1 -2 2 33.11 3.91 1 2 -2 28.28 3.41 -1 -2 2 31.39 4.36 -1 2 2 32.24 3.82 -1 -2 2 32.77 4.31 -1 -2 2 37.52 4.29 1 2 -2 29.74 5.15 -1 2 2 34.34 3.90 1 -2 -2 27.25 5.16 1 2 -2 34.09 4.15 1 -2 -2 28.01 5.04 1 -2 -2 29.29 4.84 -1 2 2 37.77 5.59 -1 -2 2 36.12 5.65 1 2 -2 46.82 6.11 1 2 -2 36.50 5.20 -1 -2 2 42.86 5.52 -1 -2 2 34.91 5.34 1 2 -2 39.07 5.45 -1 -2 2 30.73 4.19 -1 2 2 33.75 5.24 -1 2 2 36.71 5.74 1 -2 -2 38.55 5.80 1 -2 -2 39.47 5.60 -1 2 2 31.96 5.22 -1 -2 1 543.89 24.63 -1 2 1 562.67 26.17 1 -2 -1 524.88 20.47 -1 -2 1 564.49 19.94 -1 2 1 574.60 20.00 1 2 -1 540.67 23.59 -1 -2 1 592.52 27.88 1 2 -1 548.15 22.03 1 2 -1 537.56 23.95 1 -2 -1 520.67 26.79 1 -2 -1 563.53 26.89 -1 -2 1 580.54 24.94 1 -2 -1 522.26 25.85 1 2 -1 576.79 24.58 -1 2 1 549.82 25.53 1 2 -1 565.01 25.52 -1 -2 1 542.16 24.25 1 2 -1 616.36 25.77 1 2 -1 536.69 25.01 -1 -2 1 560.39 24.59 1 -2 -1 502.17 23.38 -1 2 1 544.21 24.39 1 -2 -1 529.76 24.99 1 2 -1 523.35 21.92 -1 -2 1 567.81 21.56 -1 -2 1 577.10 22.16 1 -2 -1 527.87 25.77 -1 -2 1 516.60 24.65 -1 2 1 584.14 25.52 -1 2 1 535.31 24.07 -1 2 1 568.91 26.27 1 2 0 2.01 1.24 1 -2 0 -0.42 0.65 -1 2 0 3.11 1.67 -1 2 0 0.83 0.92 1 -2 0 -0.61 0.94 -1 2 0 1.99 1.22 -1 -2 0 0.35 0.66 1 2 0 1.03 0.65 1 2 0 0.52 0.80 -1 2 0 0.51 0.80 1 -2 0 1.85 1.14 1 -2 0 3.43 1.78 1 -2 0 1.23 0.83 -1 2 0 2.27 1.32 1 2 0 0.76 0.83 1 2 0 3.81 1.55 -1 -2 0 2.72 0.79 1 -2 0 1.03 0.98 -1 -2 0 2.73 1.11 -1 -2 0 2.20 1.37 1 -2 0 1.74 0.90 -1 -2 0 2.78 1.62 -1 -2 0 1.99 1.07 -1 2 0 2.69 1.03 1 2 0 4.06 1.77 -1 2 0 0.96 0.91 1 2 0 1.28 0.81 -1 2 -1 1148.57 43.13 1 -2 1 1182.61 45.26 1 -2 1 1117.51 42.98 1 2 1 1135.69 45.00 1 -2 1 1076.76 41.52 -1 2 -1 1146.60 45.40 1 2 1 1127.71 38.47 1 -2 1 1160.46 45.29 1 2 1 1146.01 38.58 1 -2 1 1146.78 38.59 1 2 1 1091.23 46.57 -1 2 -1 1142.26 43.14 -1 2 -1 1164.23 43.97 1 -2 1 1135.11 38.58 -1 2 -1 1210.97 43.42 1 -2 1 1101.01 43.76 1 -2 1 1099.31 46.22 1 2 1 1093.25 40.78 1 2 1 1133.79 42.49 -1 -2 -1 1155.29 43.06 -1 2 -1 1145.12 44.18 -1 2 -1 1181.94 38.42 -1 2 -1 1026.94 45.13 1 2 1 1065.95 44.53 1 2 1 1126.22 44.00 1 -2 1 1161.48 39.20 -1 -2 -1 1121.21 43.48 1 -2 1 1152.44 47.18 -1 2 -1 1168.71 42.79 1 2 1 1188.57 45.79 1 -2 2 1907.74 64.99 -1 -2 -2 1828.02 68.84 -1 2 -2 1833.61 67.75 -1 2 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8.83 1 2 4 132.68 11.86 -1 2 -4 152.56 10.88 -1 -2 -4 145.13 13.53 -1 2 -4 158.12 8.54 1 -2 4 173.79 11.92 1 2 4 147.63 12.50 -1 -2 -4 143.88 10.64 -1 2 -4 148.75 13.39 1 -2 4 146.52 12.39 -1 2 -4 137.25 12.41 -1 -2 -4 130.30 12.27 1 -2 4 154.21 14.71 -1 -2 -4 152.60 10.70 1 -2 4 144.71 11.60 1 -2 4 152.34 12.51 1 -2 4 134.13 11.83 -1 -2 -4 163.04 11.25 -1 2 -4 137.16 12.87 1 2 4 149.71 12.94 1 -2 4 160.83 13.50 1 -2 4 150.57 11.58 -1 -2 -4 142.04 13.59 1 2 4 147.94 14.01 -1 -2 -4 150.03 13.00 -1 2 -4 153.95 12.34 -1 2 -5 3201.20 108.12 -1 2 -5 3559.75 104.18 -1 -2 -5 3132.28 116.46 1 -2 5 3101.43 101.57 1 -2 5 3240.17 103.42 1 2 5 3199.80 112.60 -1 -2 -5 2771.36 113.54 1 2 5 3201.38 114.86 -1 2 -5 3227.01 116.49 -1 2 -5 2844.25 113.89 -1 -2 -5 3194.66 107.09 1 2 5 3170.80 109.20 1 -2 5 3125.31 118.70 -1 -2 -5 3153.12 108.65 -1 2 -5 3057.17 114.88 1 -2 5 3201.63 113.35 1 -2 5 3002.46 112.76 1 -2 5 3266.34 111.63 -1 -2 -5 3133.57 109.80 -1 -2 -5 3126.39 116.87 -1 -2 -5 3162.87 114.81 1 2 5 3377.13 114.91 -1 2 -5 2940.13 110.92 1 -2 5 3119.13 108.59 1 -2 5 3258.52 113.37 1 2 6 111.59 11.29 1 -2 6 102.65 6.28 1 -2 6 112.52 6.70 -1 -2 -6 100.06 12.31 -1 2 -6 112.36 9.21 -1 2 -6 90.16 11.82 -1 -2 -6 115.11 8.60 -1 2 -6 101.06 12.43 -1 -2 -6 88.45 11.70 -1 -2 -6 122.90 11.32 1 -2 6 127.59 14.70 -1 -2 -6 100.87 7.88 1 -2 6 110.92 10.78 1 2 6 111.56 10.43 -1 -2 -6 111.62 9.91 1 -2 6 115.57 11.80 1 -2 6 110.99 11.61 -1 2 -6 114.05 10.72 -1 -2 -6 95.49 12.05 1 -2 6 119.29 9.50 1 -2 6 109.23 10.95 1 2 6 102.80 11.45 1 2 7 2316.57 77.15 -1 2 -7 2423.11 64.91 -1 -2 -7 2251.42 77.87 1 2 7 2250.62 70.82 1 -2 7 2190.38 66.68 -1 -2 -7 2105.92 77.08 -1 2 -7 2404.91 80.14 1 2 7 2237.62 69.32 1 -2 7 2407.53 81.18 1 -2 7 2334.83 73.34 1 -2 7 2008.12 69.50 1 -2 7 2514.38 71.62 -1 -2 -7 2320.28 67.71 -1 -2 -7 2356.54 71.56 1 2 7 2373.49 74.26 -1 -2 -7 2218.27 62.03 1 -2 7 2364.83 69.81 -1 2 -7 2224.28 68.06 1 -2 7 2421.33 63.84 1 2 8 70.99 11.02 1 2 8 46.33 10.37 1 2 8 70.22 9.47 -1 -2 -8 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287.62 17.69 -1 -3 3 314.01 19.16 -1 -3 3 301.71 16.61 -1 -3 3 298.13 17.45 -1 -3 3 307.67 13.73 -1 3 3 309.09 21.18 -1 -3 3 276.08 17.85 1 3 -3 280.23 15.49 1 3 -3 282.28 16.81 -1 -3 3 296.62 21.68 -1 3 3 279.53 19.77 -1 -3 3 311.82 16.32 1 -3 -3 319.14 20.66 -1 3 3 267.16 15.16 -1 3 3 300.95 17.98 -1 -3 3 300.45 19.40 -1 -3 3 275.87 17.92 1 3 -3 338.29 21.07 -1 -3 3 292.51 20.08 1 3 -3 301.69 20.43 1 -3 -3 286.64 20.19 -1 -3 3 311.25 13.71 -1 -3 3 279.80 17.27 -1 3 3 283.62 20.29 -1 3 3 284.30 20.51 -1 3 3 290.40 21.59 1 -3 -3 318.25 21.77 1 3 -2 1905.33 64.74 1 3 -2 1791.40 67.74 -1 -3 2 1887.70 64.35 -1 -3 2 1848.89 70.45 -1 3 2 1863.32 73.92 -1 3 2 1968.00 64.63 -1 3 2 1882.32 74.84 -1 3 2 1776.94 63.80 1 3 -2 1793.00 75.35 1 -3 -2 1875.19 76.66 1 -3 -2 1938.42 74.58 -1 -3 2 1952.36 70.95 -1 3 2 1876.63 73.19 -1 -3 2 1831.06 64.27 1 3 -2 1870.18 69.72 -1 3 2 1977.52 64.41 -1 -3 2 1853.89 64.20 -1 -3 2 1943.42 76.39 1 3 -2 1849.46 72.56 -1 3 2 1958.89 63.53 1 3 -2 2032.45 73.99 1 3 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2081.94 77.94 1 -3 0 2011.15 76.93 1 -3 0 2002.49 79.43 1 -3 0 1988.80 79.09 1 3 0 2023.67 75.24 -1 3 0 2125.87 78.29 1 -3 0 2233.55 82.50 1 3 0 2053.05 78.05 1 3 0 2093.24 75.19 1 3 0 2249.29 78.69 1 3 0 2205.78 77.08 -1 -3 0 2116.86 68.61 -1 -3 0 2064.94 76.93 -1 -3 0 2021.55 72.79 1 3 0 2131.75 76.00 -1 3 0 2057.27 77.06 1 -3 0 1897.10 77.65 1 -3 0 2067.55 72.71 -1 3 0 2028.67 77.07 -1 -3 0 1956.79 78.92 -1 -3 0 2178.81 74.72 1 -3 0 2151.82 76.00 -1 -3 0 2114.68 75.77 1 3 0 2014.69 73.52 -1 3 0 2072.88 71.73 1 -3 0 2022.59 76.42 1 3 0 2104.30 76.21 1 -3 1 504.09 18.49 -1 3 -1 524.39 26.17 1 -3 1 552.18 28.67 1 3 1 497.94 18.18 -1 3 -1 509.85 23.40 1 -3 1 453.03 24.83 1 3 1 485.78 26.89 -1 3 -1 467.94 19.24 1 3 1 502.36 27.87 1 -3 1 495.89 18.14 -1 -3 -1 477.40 19.56 1 3 1 508.79 18.21 1 3 1 453.96 28.08 1 3 1 491.06 26.11 1 -3 1 496.63 29.48 -1 3 -1 511.29 25.95 1 -3 1 510.79 27.76 1 -3 1 494.55 24.51 1 3 1 503.08 25.03 1 3 1 492.24 23.75 -1 -3 -1 503.99 20.69 -1 -3 -1 494.15 25.29 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20.99 7.11 1 -3 10 18.65 6.74 -1 3 -10 10.96 5.33 1 -3 10 12.92 5.75 1 -3 10 17.09 5.55 -1 -3 -10 11.99 4.77 1 3 10 7.06 5.80 -1 -3 -11 120.01 17.62 1 3 11 140.48 18.54 -1 3 -11 102.26 16.74 1 3 11 113.16 16.79 1 -3 11 108.32 16.84 1 -3 11 135.66 18.67 1 -3 11 115.34 14.43 1 3 11 138.42 20.82 1 3 11 125.19 20.59 -1 -3 -12 7.77 4.78 1 3 12 7.77 5.69 1 3 12 1.91 2.98 -1 3 -12 4.25 4.04 1 -3 12 4.07 4.48 1 -3 12 5.41 3.93 1 -3 12 3.80 4.67 1 3 12 2.75 4.27 -1 -3 -13 22.57 7.81 1 3 13 2.79 3.07 -1 3 -13 15.97 7.10 1 3 13 10.26 5.97 1 -3 13 15.36 7.24 1 -3 13 4.26 3.13 1 -3 13 19.02 7.25 1 3 13 2.93 5.58 1 3 14 17.89 8.03 -1 -3 -14 8.59 5.28 -1 3 -14 4.91 3.83 1 3 14 6.53 4.80 1 -3 14 14.05 7.28 1 -3 14 13.43 5.45 1 3 14 15.42 9.59 -1 -3 -15 24.76 9.29 1 3 15 31.58 12.05 1 3 15 20.58 7.98 1 -3 15 37.02 11.21 -1 3 -15 26.12 9.11 1 -3 15 18.78 6.71 1 3 15 28.96 11.21 1 3 16 109.24 19.57 1 -3 16 141.70 23.33 1 3 16 135.93 25.02 1 -4 -16 9.67 5.95 -1 4 16 13.93 7.66 -1 4 15 6.15 5.86 1 -4 -15 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4 8 271.24 27.39 -1 4 8 266.39 26.40 -1 4 7 213.18 20.75 -1 4 7 202.76 20.95 -1 4 7 180.97 17.28 -1 -4 7 200.70 17.18 -1 -4 7 198.97 18.38 -1 -4 7 228.74 22.19 -1 4 7 169.42 19.14 -1 -4 7 199.51 21.65 -1 -4 7 177.00 16.06 -1 -4 7 195.91 19.07 -1 -4 7 178.64 17.68 -1 -4 7 239.46 25.72 1 -4 -7 176.65 16.45 -1 -4 7 212.23 19.48 1 -4 -7 203.52 20.10 -1 4 7 189.84 22.09 -1 4 7 228.44 21.16 -1 4 7 205.47 21.81 -1 -4 7 211.80 18.76 1 -4 -7 181.10 19.66 -1 4 6 985.63 52.99 1 4 -6 1157.02 47.30 -1 4 6 1018.04 54.27 -1 -4 6 1153.22 57.19 -1 4 6 996.28 50.28 -1 -4 6 1110.91 49.80 -1 -4 6 1060.79 51.12 -1 4 6 1004.79 54.01 -1 -4 6 1074.78 56.07 -1 4 6 1048.88 46.41 -1 -4 6 951.57 46.38 1 -4 -6 1108.82 48.68 -1 -4 6 1077.18 51.02 1 4 -6 1231.19 56.33 -1 -4 6 980.99 50.68 -1 -4 6 1036.69 51.98 -1 -4 6 1004.80 58.55 -1 4 6 1068.72 54.11 -1 -4 6 1134.38 53.39 -1 4 6 1136.88 57.45 -1 4 6 1025.34 57.30 1 -4 -6 1142.66 55.09 1 -4 -6 1156.93 56.61 -1 4 5 232.89 17.08 -1 4 5 218.51 20.56 -1 -4 5 267.58 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267.45 28.22 8 6 -3 477.88 33.51 -8 6 3 444.65 39.62 8 6 -3 522.67 32.21 8 6 -3 397.18 38.81 8 -6 -3 426.26 40.34 8 -6 -3 466.65 40.20 8 6 -3 459.55 38.06 8 6 -3 524.54 39.05 -8 -6 3 459.51 35.36 8 -6 -3 550.89 39.03 8 -6 -3 530.11 40.56 -8 -6 3 432.71 37.36 8 6 -2 361.90 28.98 -8 6 2 330.94 34.01 -8 6 2 397.71 33.52 8 6 -2 393.09 27.97 8 6 -2 333.10 35.41 8 -6 -2 369.96 36.01 8 -6 -2 360.07 34.50 8 6 -2 388.88 33.88 8 6 -2 458.43 35.03 -8 -6 2 350.26 29.40 8 -6 -2 408.70 33.87 8 -6 -2 405.95 34.69 -8 -6 2 366.18 34.22 8 6 -1 607.86 39.42 -8 6 1 627.26 47.86 -8 6 1 641.16 43.78 8 6 -1 581.42 37.56 8 -6 -1 581.38 47.48 8 -6 -1 698.98 48.82 8 6 -1 640.56 50.67 8 6 -1 698.16 43.66 8 -6 -1 658.19 45.11 8 -6 -1 727.53 48.50 -8 -6 1 611.26 46.77 8 6 0 222.72 21.86 -8 6 0 187.26 24.75 8 6 0 238.23 22.06 8 -6 0 212.83 27.66 8 -6 0 243.12 27.10 8 6 0 270.11 31.20 8 6 0 231.29 23.00 8 -6 0 267.81 26.98 8 -6 0 246.21 26.36 -8 -6 0 187.51 25.07 8 -6 1 335.79 35.19 8 6 1 292.07 33.26 -8 6 -1 242.33 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141.47 23.96 9 -8 -7 114.62 20.18 9 8 -6 34.52 9.69 -9 8 6 38.20 12.02 9 -8 -6 20.11 10.45 9 8 -6 24.12 9.97 9 -8 -6 -3.08 9.61 -9 -8 6 25.98 9.74 9 8 -6 28.11 11.17 9 -8 -6 41.26 12.38 9 8 -5 67.96 13.37 -9 8 5 53.33 14.14 9 8 -5 30.70 11.79 9 -8 -5 56.68 15.62 9 -8 -5 30.09 11.56 9 8 -5 53.65 13.91 -9 -8 5 55.02 13.42 9 -8 -5 63.15 15.10 9 8 -4 1.87 3.56 -9 8 4 7.81 4.96 9 8 -4 3.13 4.86 9 -8 -4 -6.64 0.03 9 8 -4 2.56 3.98 -9 -8 4 2.21 3.43 9 -8 -4 7.94 7.13 9 -8 -4 4.55 4.33 -9 -8 4 -2.61 4.06 9 8 -3 24.35 8.51 9 8 -3 15.88 8.57 9 -8 -3 16.56 8.16 9 8 -3 14.81 7.70 9 -8 -3 30.41 9.98 9 -8 -3 23.91 9.25 -9 -8 3 19.13 8.52 9 8 -2 52.45 11.74 9 8 -2 61.17 16.29 9 -8 -2 52.82 15.47 9 8 -2 51.95 13.57 9 -8 -2 38.37 11.59 9 -8 -2 34.46 11.01 -9 -8 2 71.36 16.67 9 8 -1 1.88 2.06 9 8 -1 9.77 7.16 9 -8 -1 -3.29 8.07 9 8 -1 4.52 4.96 9 -8 -1 -2.45 2.70 9 -8 -1 -2.63 5.01 -9 -8 1 2.97 4.62 9 8 0 18.92 6.86 9 8 0 26.27 8.54 9 -8 0 20.10 10.45 9 8 0 19.74 9.60 9 -8 0 22.82 10.78 9 8 0 36.81 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35.64 8.21 10 4 2 666.54 39.20 -10 4 -2 693.79 50.91 10 4 2 676.46 41.95 -10 4 -2 567.84 42.34 10 4 2 709.61 38.01 10 -4 2 718.97 38.12 10 -4 2 648.81 49.68 10 -4 2 734.34 52.27 -10 -4 -2 693.79 50.34 10 -4 2 720.88 41.86 10 -4 2 759.67 42.98 -10 4 -3 42.95 11.23 10 -4 3 67.45 14.95 10 4 3 66.53 10.10 10 -4 3 77.06 10.62 10 -4 3 59.70 14.06 10 4 3 93.27 12.64 10 4 3 94.60 13.78 -10 4 -3 75.12 15.68 10 -4 3 73.22 11.99 -10 -4 -3 69.88 15.14 10 -4 3 64.46 11.34 -10 4 -4 383.98 37.52 10 4 4 427.75 32.06 -10 4 -4 446.66 38.48 10 4 4 442.17 28.70 10 -4 4 388.51 36.72 10 -4 4 402.51 38.42 -10 4 -4 444.61 37.46 10 -4 4 480.71 32.90 10 -4 4 448.16 31.56 -10 -4 -4 397.54 38.13 10 4 5 20.98 7.35 -10 4 -5 15.14 7.38 -10 4 -5 27.25 9.85 10 -4 5 34.60 10.55 10 4 5 27.57 6.60 10 -4 5 20.44 8.68 -10 4 -5 32.31 10.17 10 4 5 25.55 8.88 10 -4 5 29.75 7.66 -10 -4 -5 18.29 8.65 10 -4 5 23.62 7.65 -10 4 -6 61.22 14.68 10 -4 6 55.69 13.36 10 -4 6 41.56 11.34 10 4 6 51.94 10.81 10 -4 6 42.58 9.56 10 4 6 20.22 8.87 -10 -4 -6 35.51 11.69 10 -4 6 29.96 8.48 -10 4 -7 39.86 12.15 10 -4 7 30.72 10.10 10 -4 7 18.88 7.70 10 4 7 36.55 9.61 10 4 7 24.52 9.03 10 -4 7 42.78 9.18 10 -4 7 25.84 7.53 -10 4 -8 11.98 8.07 10 -4 8 6.92 6.22 10 4 8 25.34 7.71 10 4 8 2.92 4.55 10 -4 8 13.78 5.59 -10 4 -9 -3.15 6.92 10 -4 9 4.49 4.27 10 4 9 5.64 4.14 10 4 9 -3.10 4.81 10 -4 9 1.55 4.18 10 4 9 -3.10 3.41 10 4 10 26.10 10.79 -10 5 15 24.65 9.99 -10 5 15 15.69 7.61 -10 -5 15 11.64 7.15 10 -5 -15 12.88 6.34 -10 5 15 2.87 3.17 -10 5 14 29.11 10.90 -10 5 14 15.13 8.34 -10 -5 14 24.28 9.85 10 -5 -14 15.05 7.31 -10 5 14 13.70 7.40 -10 5 13 124.76 21.02 -10 5 13 101.80 18.38 -10 -5 13 106.87 19.41 10 -5 -13 95.05 18.08 -10 5 13 119.21 20.62 -10 5 12 61.15 14.32 -10 -5 12 59.08 13.78 10 -5 -12 56.65 13.83 -10 5 12 43.98 12.42 -10 5 11 210.91 26.53 10 -5 -11 224.88 29.19 10 -5 -11 230.20 30.32 10 5 -11 199.55 27.93 -10 -5 11 259.66 27.57 10 -5 -11 232.08 27.34 -10 5 11 199.59 25.77 -10 5 10 49.32 11.88 10 -5 -10 23.75 9.25 10 -5 -10 39.77 12.15 10 5 -10 32.41 11.17 -10 -5 10 48.33 11.26 10 -5 -10 50.07 12.49 -10 5 10 42.56 11.28 -10 5 9 236.94 26.96 10 -5 -9 205.82 27.58 10 -5 -9 259.10 31.20 10 5 -9 244.27 29.67 -10 -5 9 243.45 24.49 -10 5 9 256.70 26.65 -10 5 8 137.25 19.21 -10 5 8 114.97 19.24 10 -5 -8 64.33 15.34 10 5 -8 79.90 15.51 10 -5 -8 113.44 19.88 10 5 -8 92.03 17.60 10 5 -8 90.24 16.35 -10 -5 8 92.75 14.11 10 5 -8 157.51 22.63 -10 5 8 133.75 18.47 10 -5 -8 96.92 14.74 -10 5 7 659.00 44.87 -10 5 7 543.59 45.39 10 5 -7 818.25 47.68 10 5 -7 556.61 44.69 10 -5 -7 602.38 48.69 10 -5 -7 620.34 49.54 10 5 -7 645.64 49.19 10 5 -7 506.31 42.11 -10 -5 7 649.56 39.02 10 5 -7 709.63 49.40 -10 5 7 665.46 42.45 10 -5 -7 677.91 42.97 -10 5 6 89.09 17.02 10 5 -6 119.50 16.97 10 -5 -6 122.48 20.30 10 5 -6 87.81 17.16 10 -5 -6 120.47 20.39 10 5 -6 96.66 17.72 10 5 -6 98.69 16.60 10 5 -6 114.52 18.14 -10 5 6 115.92 15.60 10 -5 -6 103.74 15.60 10 5 -5 633.20 40.40 -10 5 5 501.82 42.62 10 -5 -5 571.10 46.60 10 5 -5 565.17 45.00 10 5 -5 542.64 40.80 10 5 -5 609.50 42.73 10 -5 -5 592.97 37.04 -10 5 5 590.35 37.04 10 -5 -5 591.55 40.06 10 5 -4 7.68 4.49 -10 5 4 9.38 5.17 10 5 -4 20.88 6.43 10 -5 -4 11.53 6.22 10 -5 -4 7.47 4.76 10 5 -4 15.98 5.49 10 5 -4 25.02 7.87 10 -5 -4 18.46 5.86 10 -5 -4 21.95 7.20 -10 5 4 17.55 5.53 10 5 -3 2.65 2.91 10 5 -3 1.49 2.32 -10 5 3 9.42 6.34 10 -5 -3 -2.37 3.69 10 5 -3 -1.32 3.54 10 5 -3 1.67 3.18 10 -5 -3 1.48 3.26 10 -5 -3 -1.69 3.22 -10 5 3 2.31 2.84 10 5 -2 55.74 10.36 10 5 -2 37.97 8.63 -10 5 2 45.28 12.10 10 -5 -2 46.77 12.50 10 5 -2 50.61 9.50 10 5 -2 62.23 11.45 10 -5 -2 59.26 11.87 10 5 -1 2.80 3.08 10 5 -1 1.44 3.16 -10 5 1 4.83 4.60 10 -5 -1 -2.55 2.80 10 5 -1 -1.37 2.61 10 5 -1 -1.45 2.25 10 -5 -1 5.01 4.10 10 5 0 8.69 4.78 10 5 0 2.84 3.13 -10 5 0 12.19 7.09 10 -5 0 15.88 7.70 10 5 0 12.20 4.95 10 -5 0 5.00 4.10 10 -5 0 1.53 2.91 -10 -5 0 14.79 7.17 10 -5 1 8.21 6.02 10 5 1 10.50 4.67 10 5 1 7.06 3.81 -10 5 -1 7.40 5.43 10 -5 1 6.65 4.48 10 -5 1 6.25 4.22 -10 -5 -1 5.05 4.81 10 -5 2 2.81 3.09 10 -5 2 -2.62 2.89 10 5 2 3.11 2.96 10 5 2 7.03 4.09 -10 5 -2 2.51 4.79 10 -5 2 -1.63 3.59 10 -5 2 -1.60 3.51 -10 -5 -2 2.59 4.93 10 -5 3 102.71 19.67 10 -5 3 107.12 19.39 10 5 3 135.31 16.12 10 5 3 125.40 16.50 -10 5 -3 101.38 18.83 10 -5 3 126.74 16.76 10 -5 3 117.25 16.70 -10 -5 -3 101.91 18.99 10 5 4 6.67 4.50 -10 5 -4 15.41 7.99 10 -5 4 19.95 8.86 10 -5 4 10.22 6.29 -10 5 -4 7.46 5.47 10 -5 4 12.85 5.59 10 -5 4 9.83 4.77 -10 -5 -4 2.79 4.34 10 5 5 110.64 16.21 -10 5 -5 104.81 18.91 10 -5 5 108.74 20.57 10 -5 5 71.58 16.13 -10 5 -5 86.83 17.88 10 -5 5 112.46 15.95 10 -5 5 114.44 15.94 -10 -5 -5 113.30 21.18 10 5 6 3.59 3.41 -10 5 -6 8.29 6.08 10 -5 6 2.73 6.00 10 -5 6 -2.36 2.60 -10 5 -6 5.50 5.24 10 5 6 -2.89 3.18 10 -5 6 1.57 2.99 10 -5 6 6.69 4.11 -10 -5 -6 9.08 8.15 -10 5 -7 44.27 13.04 10 -5 7 60.50 14.80 10 5 7 48.35 10.89 10 5 7 24.36 10.66 10 -5 7 60.20 11.70 -10 -5 -7 25.20 11.55 -10 5 -8 6.25 5.95 10 -5 8 2.53 3.93 10 5 8 9.65 5.20 10 5 8 6.37 4.96 10 -5 8 11.78 5.55 10 5 9 137.64 20.07 10 -5 9 172.41 20.32 -10 6 13 110.06 20.45 10 -6 -13 94.03 18.56 -10 6 13 91.18 17.68 -10 6 12 85.50 17.31 10 -6 -12 89.18 17.22 -10 6 12 91.23 18.19 -10 6 11 159.53 23.76 10 -6 -11 122.95 22.73 10 6 -11 133.76 23.19 10 -6 -11 134.16 21.30 -10 6 11 118.36 19.86 -10 6 10 90.86 17.22 10 -6 -10 82.97 18.88 10 -6 -10 82.86 18.65 10 6 -10 74.04 17.04 10 -6 -10 83.13 16.64 -10 6 10 75.59 15.22 -10 6 9 38.70 11.26 10 -6 -9 56.86 15.12 10 -6 -9 35.15 12.11 10 6 -9 24.97 10.18 -10 6 9 50.11 11.72 10 6 -8 1.99 3.79 -10 6 8 6.51 5.34 10 6 -8 7.34 5.38 10 -6 -8 5.80 5.52 10 -6 -8 8.76 5.56 10 6 -8 10.81 5.95 10 6 -8 18.59 8.76 10 -6 -8 9.39 5.84 -10 6 8 7.36 5.72 10 6 -7 37.14 10.05 -10 6 7 53.71 12.48 10 -6 -7 37.06 11.77 10 6 -7 32.58 11.07 10 -6 -7 31.69 11.47 10 6 -7 26.25 10.05 10 6 -7 32.11 10.91 10 -6 -7 24.98 8.52 -10 6 7 43.76 10.19 10 6 -6 5.29 5.13 -10 6 6 2.62 4.08 10 -6 -6 11.16 6.86 10 6 -6 5.14 5.66 10 -6 -6 5.75 5.47 10 6 -6 12.81 6.90 -10 -6 6 4.14 3.95 10 6 -6 9.24 6.22 10 -6 -6 5.82 5.23 10 6 -5 115.52 16.40 -10 6 5 80.89 16.81 10 -6 -5 115.13 20.48 10 6 -5 92.49 18.21 10 -6 -5 86.45 18.76 10 6 -5 77.51 16.13 -10 -6 5 120.24 18.33 10 6 -5 152.15 20.95 10 -6 -5 128.25 16.86 10 -6 -5 119.10 18.13 10 6 -4 16.40 5.64 10 6 -4 13.20 5.76 -10 6 4 20.88 8.62 10 -6 -4 18.94 8.43 10 6 -4 8.18 6.01 10 6 -4 18.30 7.43 10 6 -4 14.75 7.17 -10 -6 4 19.09 7.86 10 -6 -4 16.70 6.89 10 -6 -4 13.89 6.56 10 6 -3 292.36 26.86 -10 6 3 280.19 32.43 10 6 -3 300.68 25.52 10 -6 -3 318.14 34.60 10 -6 -3 286.25 32.94 10 6 -3 309.77 34.95 10 6 -3 264.00 30.46 -10 -6 3 354.81 34.83 10 6 -3 370.91 32.06 10 -6 -3 325.07 28.89 10 -6 -3 301.88 29.85 10 6 -2 141.22 17.86 10 6 -2 111.90 15.32 10 6 -2 149.28 17.28 -10 6 2 112.81 20.40 10 -6 -2 136.25 22.17 10 -6 -2 127.24 22.10 10 6 -2 164.80 20.43 10 -6 -2 132.03 18.02 10 -6 -2 148.51 20.02 -10 -6 2 119.60 20.40 10 6 -1 585.77 38.97 -10 6 1 469.30 44.32 10 6 -1 650.37 39.86 10 -6 -1 599.57 50.45 10 -6 -1 550.56 47.19 10 6 -1 574.87 40.25 10 -6 -1 631.58 42.91 10 -6 -1 537.91 41.43 -10 -6 1 566.16 47.20 10 6 0 332.55 28.58 -10 6 0 312.64 34.47 10 6 0 376.00 29.94 10 -6 0 385.94 39.87 10 6 0 377.44 30.56 10 -6 0 340.68 31.09 10 -6 0 373.18 32.55 -10 -6 0 332.19 35.57 10 -6 1 61.22 16.27 10 6 1 64.70 12.24 10 6 1 82.03 13.48 -10 6 -1 53.41 13.93 10 -6 1 71.00 13.99 -10 -6 -1 69.64 16.04 10 -6 2 173.10 27.04 10 6 2 153.52 18.66 -10 6 -2 144.44 23.13 10 6 2 170.40 20.15 10 -6 2 146.72 19.64 10 -6 2 197.32 22.52 -10 -6 -2 152.27 24.36 10 6 3 77.93 13.87 10 6 3 65.78 11.97 -10 6 -3 56.22 14.55 10 -6 3 57.12 15.33 -10 6 -3 77.89 17.08 10 -6 3 72.67 13.89 10 -6 3 77.01 14.39 -10 -6 -3 38.63 13.22 10 6 4 121.61 16.20 10 6 4 112.65 16.97 10 -6 4 69.78 18.39 -10 6 -4 130.07 22.20 10 -6 4 85.67 15.06 10 -6 4 107.38 16.83 -10 -6 -4 92.40 19.41 10 6 5 99.89 16.11 10 -6 5 121.67 22.22 -10 6 -5 91.35 19.73 10 6 5 89.92 19.17 10 -6 5 126.53 18.04 10 -6 5 130.40 18.10 -10 -6 -5 114.78 22.15 10 6 6 103.30 16.40 10 -6 6 81.60 18.42 -10 6 -6 106.97 21.44 10 6 6 76.95 18.44 10 -6 6 86.98 15.26 10 -6 6 106.20 16.76 -10 -6 -6 85.99 19.78 10 6 7 71.25 13.89 10 -6 7 49.31 14.39 -10 6 -7 103.83 21.40 10 6 7 38.92 13.47 10 -6 7 78.36 14.33 -10 -6 -7 51.43 15.65 -10 7 11 2.61 2.86 -10 -7 11 -2.30 5.06 10 -7 -11 7.53 6.17 -10 7 10 165.53 24.04 10 7 -10 150.24 24.92 -10 -7 10 157.26 22.82 10 -7 -10 147.19 25.87 -10 7 9 -2.41 3.74 10 -7 -9 -3.24 0.02 10 -7 -9 3.21 3.53 10 7 -9 2.88 4.48 -10 -7 9 -2.32 5.09 10 7 -9 9.34 6.85 -10 7 8 247.76 28.76 10 7 -8 283.77 28.79 10 7 -8 189.97 27.58 10 -7 -8 225.05 31.92 10 -7 -8 280.28 34.41 10 7 -8 275.74 32.88 10 7 -8 269.78 33.09 -10 -7 8 242.80 28.18 10 -7 -8 222.20 26.85 10 7 -7 1.95 4.29 10 7 -7 -2.78 6.12 10 -7 -7 -3.20 4.97 10 -7 -7 -3.08 5.87 10 7 -7 -2.75 0.06 -10 -7 7 -2.29 5.62 10 7 -7 5.44 5.18 10 -7 -7 -2.21 3.43 10 7 -6 264.10 26.16 10 7 -6 196.68 28.19 10 -7 -6 232.44 32.26 10 -7 -6 223.49 30.68 10 7 -6 227.05 28.86 10 7 -6 221.96 28.62 -10 -7 6 208.40 26.07 10 -7 -6 207.61 25.97 -10 -7 6 244.06 27.90 10 7 -5 1.82 2.84 -10 7 5 2.61 4.06 10 -7 -5 8.89 6.51 10 7 -5 2.91 3.20 10 -7 -5 9.56 7.01 10 7 -5 4.84 5.32 10 7 -5 2.61 2.88 -10 -7 5 2.16 3.37 10 -7 -5 2.27 4.33 -10 -7 5 7.28 5.33 10 7 -4 127.17 17.80 -10 7 4 91.91 18.96 -10 7 4 104.58 19.29 10 -7 -4 87.29 18.93 10 7 -4 92.41 19.38 10 -7 -4 99.21 21.07 10 7 -4 115.68 20.25 10 7 -4 146.26 21.27 10 -7 -4 108.14 16.90 10 -7 -4 111.99 19.25 -10 -7 4 86.33 17.29 10 7 -3 -3.55 4.78 -10 7 3 -2.87 0.03 10 -7 -3 -2.86 3.15 10 7 -3 3.05 3.35 10 -7 -3 3.22 3.54 10 7 -3 -2.18 2.40 10 7 -3 -2.54 3.95 10 -7 -3 -1.99 3.10 10 -7 -3 4.57 3.55 -10 -7 3 2.66 2.92 10 7 -2 60.62 11.47 10 7 -2 60.06 12.40 -10 7 2 60.41 15.91 10 -7 -2 30.90 11.40 10 -7 -2 47.94 13.97 10 7 -2 56.07 15.79 10 7 -2 89.02 15.70 10 -7 -2 69.68 14.00 10 -7 -2 56.91 13.36 -10 -7 2 52.55 14.37 10 7 -1 4.84 4.69 10 7 -1 10.55 5.47 -10 7 1 2.87 3.16 10 -7 -1 3.18 6.06 10 7 -1 3.19 4.96 10 7 -1 7.90 5.74 10 -7 -1 12.57 6.09 10 -7 -1 9.04 6.09 -10 -7 1 -2.87 5.47 10 7 0 25.08 8.03 10 7 0 8.76 5.48 -10 7 0 22.98 9.49 10 -7 0 13.10 8.84 10 7 0 22.84 10.16 10 7 0 20.72 7.77 10 -7 0 25.62 8.80 10 -7 0 26.86 9.22 -10 -7 0 20.79 9.25 10 7 1 -1.73 2.69 10 7 1 1.74 3.83 -10 7 -1 -2.86 6.30 10 -7 1 10.10 6.41 10 7 1 3.34 5.18 10 7 1 1.80 3.43 10 -7 1 2.16 3.36 10 -7 1 2.19 3.40 -10 -7 -1 3.06 3.37 10 7 2 21.50 7.92 10 7 2 38.24 9.59 -10 7 -2 28.59 10.46 10 -7 2 20.66 10.05 10 7 2 23.84 10.62 -10 7 -2 29.13 10.65 10 -7 2 23.75 8.92 -10 -7 -2 50.70 14.39 10 7 3 1.85 4.06 10 7 3 1.73 4.25 10 -7 3 3.47 3.81 10 7 3 3.47 3.82 -10 7 -3 -3.04 4.73 10 -7 3 2.10 5.17 -10 -7 -3 3.26 3.59 10 7 4 220.95 23.81 10 7 4 236.65 25.85 10 -7 4 224.33 32.99 10 7 4 236.55 33.49 -10 7 -4 186.35 29.32 10 -7 4 269.32 28.17 10 -7 4 261.11 27.72 -10 -7 -4 229.00 32.23 10 -7 5 10.15 7.44 10 7 5 3.58 6.82 -10 7 -5 3.26 3.59 10 -7 5 6.04 4.95 -10 -7 -5 10.40 7.62 10 8 -9 4.56 5.01 10 8 -9 -2.94 4.57 10 8 -8 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22.72 9.39 11 6 -8 44.94 13.01 11 -6 -8 29.32 9.04 -11 6 8 47.14 10.94 -11 6 7 485.70 44.46 11 6 -7 596.03 42.87 11 6 -7 440.89 42.51 11 -6 -7 543.70 49.16 11 -6 -7 570.39 50.21 11 6 -7 534.65 47.07 11 6 -7 632.48 48.19 11 -6 -7 477.05 38.44 -11 6 6 171.51 25.45 11 6 -6 209.50 23.27 11 -6 -6 130.00 23.38 11 6 -6 151.84 24.09 11 -6 -6 157.83 25.99 11 6 -6 177.58 25.88 -11 -6 6 179.46 23.53 11 6 -6 209.49 25.74 11 -6 -6 199.06 23.00 11 6 -5 145.83 18.77 -11 6 5 87.45 18.59 11 -6 -5 102.34 20.61 11 6 -5 129.48 22.57 11 -6 -5 125.78 22.63 11 6 -5 81.04 17.65 -11 -6 5 99.03 17.01 11 6 -5 130.41 19.53 11 -6 -5 110.23 17.60 11 6 -4 27.99 8.20 -11 6 4 27.51 10.07 11 6 -4 22.11 6.93 11 -6 -4 27.89 10.21 11 -6 -4 23.25 10.14 11 6 -4 29.27 10.70 11 6 -4 44.38 11.12 11 6 -4 24.19 9.38 11 -6 -4 29.67 8.35 11 -6 -4 33.03 9.59 11 6 -3 3.01 3.32 11 6 -3 5.15 3.78 -11 6 3 8.30 6.09 11 -6 -3 11.45 7.04 11 -6 -3 5.81 5.53 11 6 -3 9.49 5.11 11 -6 -3 5.84 4.79 11 6 -2 3.10 3.81 11 6 -2 1.69 3.21 -11 6 2 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21.38 8.66 11 7 -5 14.01 6.89 11 -7 -5 2.20 3.43 -11 -7 5 15.54 7.53 11 7 -4 30.11 9.30 -11 7 4 32.97 11.92 11 -7 -4 21.75 9.71 11 7 -4 31.39 11.48 11 -7 -4 33.98 12.42 11 7 -4 24.89 9.68 11 7 -4 30.53 11.04 11 -7 -4 35.71 9.74 11 -7 -4 26.57 9.16 -11 -7 4 51.62 13.72 11 7 -3 9.28 5.41 -11 7 3 15.05 8.11 11 -7 -3 15.93 8.58 11 -7 -3 6.16 6.77 11 7 -3 9.69 6.16 11 7 -3 15.04 7.09 11 7 -3 5.56 5.30 11 -7 -3 7.78 5.24 11 -7 -3 11.08 6.45 -11 -7 3 5.66 5.40 11 7 -2 289.99 27.63 -11 7 2 208.56 30.10 11 7 -2 271.39 25.80 11 7 -2 233.09 33.55 11 -7 -2 220.23 31.73 11 -7 -2 250.04 32.49 11 7 -2 292.34 29.25 11 -7 -2 266.20 27.73 11 -7 -2 320.12 32.19 -11 -7 2 285.64 34.16 11 -7 -1 -3.39 7.45 11 7 -1 -3.43 5.33 11 7 -1 -1.70 2.64 11 7 -1 3.65 3.47 -11 7 1 -3.03 3.33 11 -7 -1 2.20 6.40 -11 -7 1 3.05 3.35 11 -7 0 317.87 39.48 11 7 0 369.78 42.51 11 7 0 362.33 31.35 -11 7 0 289.38 36.09 11 7 0 364.84 30.89 11 -7 0 327.70 32.38 -11 -7 0 389.90 41.41 11 -7 1 3.58 3.94 11 7 1 3.61 3.97 11 7 1 -1.81 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251.53 28.81 12 -7 -6 214.57 25.77 -12 -7 6 145.09 23.80 12 7 -5 2.02 3.14 -12 7 5 -3.12 4.85 12 -7 -5 -3.34 0.03 12 7 -5 -3.23 5.02 12 -7 -5 -3.57 5.54 12 7 -5 -3.02 4.69 12 -7 -5 2.17 4.13 -12 -7 5 2.77 3.05 12 7 -4 108.80 17.22 -12 7 4 78.59 18.18 12 -7 -4 96.24 20.51 12 7 -4 73.64 18.25 12 -7 -4 79.64 20.10 12 7 -4 87.86 19.05 12 -7 -4 106.76 17.83 -12 -7 4 101.64 19.88 12 7 -3 -1.94 3.02 -12 7 3 3.17 3.48 12 -7 -3 6.76 5.25 12 -7 -3 3.31 3.64 12 7 -3 3.47 5.39 12 7 -3 -3.07 4.77 12 -7 -3 2.19 4.80 -12 -7 3 9.06 5.75 12 -7 -2 80.19 19.38 12 7 -2 118.57 23.54 12 7 -2 97.55 15.70 12 7 -2 97.78 16.17 -12 7 2 79.96 19.15 12 -7 -2 107.06 18.04 12 -7 -2 92.47 15.48 -12 -7 2 78.40 18.47 12 -7 -1 -3.60 6.85 12 7 -1 -3.71 0.06 12 7 -1 1.79 3.41 12 7 -1 -1.90 2.95 -12 7 1 3.22 5.00 12 -7 -1 2.18 4.15 12 -7 -1 -3.80 4.18 -12 -7 1 -3.24 5.03 12 -7 0 37.06 14.13 12 7 0 34.48 13.33 12 7 0 17.89 6.85 12 7 0 23.93 8.37 12 7 0 24.38 8.01 -12 7 0 6.49 6.21 12 -7 0 30.32 9.55 12 -7 0 34.99 10.04 -12 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1.62 2.52 -18 -2 5 1.61 3.06 -18 2 5 2.82 3.09 -18 2 5 -1.80 3.43 18 -2 -4 6.15 6.76 -18 -2 4 7.49 4.36 -18 2 4 4.50 3.30 18 2 -4 -3.30 3.63 18 2 -4 2.44 2.69 -18 2 4 5.82 5.54 -18 2 3 83.79 13.90 18 -2 -3 100.87 20.93 -18 -2 3 114.89 15.95 18 2 -3 103.18 21.18 -18 2 3 98.72 19.95 18 2 -3 122.38 19.79 18 -2 -3 79.05 13.07 -18 -2 2 3.34 3.19 -18 2 2 1.68 3.70 18 -2 -2 6.02 5.73 18 2 -2 3.17 4.92 18 2 -2 2.37 3.69 -18 2 2 3.05 5.82 18 -2 -2 3.16 3.88 -18 -2 1 284.98 27.91 -18 2 1 326.23 30.16 18 -2 -1 385.74 40.28 18 2 -1 403.98 42.06 18 2 -1 355.62 34.87 18 -2 -1 349.06 29.43 -18 -2 0 1.99 3.10 -18 2 0 2.02 2.22 18 -2 1 166.65 25.42 -18 -3 11 34.75 9.16 -18 3 11 38.30 9.74 18 -3 -11 26.99 12.03 18 3 -11 27.26 12.89 18 -3 -11 46.82 15.50 -18 -3 10 223.23 22.92 -18 3 10 195.24 21.47 18 3 -10 197.89 32.86 18 -3 -10 175.96 30.77 18 -3 -10 223.90 34.56 18 3 -10 211.76 34.71 18 3 -10 169.42 32.28 -18 -3 9 9.52 4.61 -18 3 9 17.53 6.56 -18 3 9 2.67 2.94 18 -3 -9 3.99 6.21 18 3 -9 8.00 7.62 18 -3 -9 -4.08 6.34 18 3 -9 16.89 11.37 18 3 -9 13.40 9.82 -18 3 9 5.69 5.11 18 3 -8 458.19 50.57 18 -3 -8 311.79 42.53 18 -3 -8 360.36 44.98 -18 -3 8 381.53 30.67 -18 3 8 363.00 29.56 -18 3 8 264.69 33.23 -18 3 8 388.41 32.82 18 3 -7 -3.89 12.09 18 -3 -7 8.07 7.69 -18 -3 7 17.24 6.46 -18 3 7 9.46 4.91 -18 3 7 11.40 7.02 -18 3 7 27.53 8.57 18 3 -6 206.82 32.32 18 -3 -6 200.49 32.61 -18 3 6 215.63 22.11 -18 -3 6 215.92 22.26 18 3 -6 253.16 29.31 -18 3 6 124.61 23.68 -18 3 6 220.21 23.91 -18 -3 5 29.15 7.93 -18 3 5 30.46 8.21 -18 3 5 45.18 9.94 -18 -3 5 43.22 9.86 18 3 -5 48.84 13.20 -18 3 5 21.53 10.20 -18 3 5 46.94 10.92 -18 -3 4 39.14 9.16 -18 3 4 43.60 9.73 18 -3 -4 67.84 17.54 18 3 -4 40.48 11.18 -18 3 4 38.08 13.57 -18 -3 3 52.47 10.75 -18 3 3 65.37 12.12 18 -3 -3 44.22 15.04 18 3 -3 58.77 14.47 -18 3 3 45.46 13.91 18 -3 -3 43.58 9.62 -18 -3 2 57.81 11.67 -18 3 2 51.33 11.28 18 -3 -2 53.89 15.81 18 -3 -2 73.63 12.43 -18 -3 1 25.93 8.45 -18 3 1 43.01 10.92 -18 4 9 -2.91 0.09 -18 4 8 12.09 8.14 18 4 -8 4.42 4.87 -18 4 7 -3.12 4.85 -18 4 7 -1.85 2.87 18 4 -6 41.50 12.04 -18 4 6 31.04 8.80 18 -4 -6 23.72 8.17 18 4 -5 -2.38 3.70 -18 4 5 -1.80 3.96 18 -4 -5 1.74 1.92 -18 4 4 175.44 21.25 -19 0 11 1.87 2.91 -19 0 10 170.63 21.26 19 0 -9 4.49 8.55 -19 0 9 3.41 3.75 -19 0 9 1.85 3.52 19 0 -8 307.46 43.14 -19 0 8 341.23 29.58 -19 0 8 364.77 31.73 19 0 -7 4.18 6.49 -19 0 7 -1.69 3.21 -19 0 7 -3.71 5.39 -19 0 6 127.13 17.42 -19 0 5 3.11 2.41 19 0 -5 -2.31 3.59 -19 0 5 -3.43 4.22 19 0 -4 87.10 16.33 -19 0 4 79.92 13.51 -19 0 3 -1.67 3.18 19 0 -3 2.30 4.37 19 0 -2 53.58 13.81 19 0 -2 41.63 11.17 19 0 -1 2.58 2.83 -19 -1 11 18.25 7.25 -19 -1 10 -1.82 3.99 19 1 -9 -4.44 6.91 19 -1 -9 -4.53 7.04 -19 -1 9 6.78 4.57 -19 1 9 1.70 3.74 -19 1 9 3.76 3.58 -19 -1 9 1.81 2.82 19 1 -8 13.02 11.69 19 -1 -8 22.21 12.93 -19 -1 8 15.14 6.15 -19 1 8 20.22 7.19 -19 1 8 18.74 7.15 -19 -1 8 12.77 6.04 19 1 -7 -4.13 7.87 19 -1 -7 4.24 4.66 -19 -1 7 5.04 3.69 -19 1 7 -1.68 3.70 -19 1 7 2.54 2.79 -19 1 7 -1.87 3.56 -19 1 6 13.55 6.19 -19 -1 6 25.34 7.89 -19 1 6 10.60 6.53 -19 1 6 11.27 6.54 -19 1 5 30.93 9.30 -19 -1 5 30.82 9.07 -19 -1 5 44.98 9.84 -19 1 5 21.72 7.09 19 -1 -5 27.64 9.00 19 1 -5 33.96 11.67 -19 -1 4 33.56 9.02 -19 1 4 40.01 9.69 19 -1 -4 29.83 9.08 19 1 -4 38.70 12.20 19 -1 -3 137.48 19.69 19 1 -3 177.21 25.77 19 -1 -3 147.56 24.12 -19 -1 3 117.50 17.12 -19 1 3 126.27 17.37 19 -1 -2 47.61 13.50 19 2 -11 87.06 22.02 19 2 -10 8.46 6.58 19 -2 -10 4.09 6.37 -19 -2 9 112.38 16.19 -19 2 9 116.16 16.76 19 2 -9 128.22 27.64 19 -2 -9 158.74 29.99 19 2 -9 109.54 25.30 19 -2 -9 131.18 28.80 19 2 -8 4.30 4.72 -19 -2 8 -1.67 2.59 -19 2 8 -1.67 4.11 -19 2 8 2.63 2.89 19 2 -7 242.47 36.92 19 -2 -7 218.83 35.81 -19 -2 7 211.74 22.73 -19 2 7 195.91 22.14 -19 2 7 148.08 23.74 -19 2 7 193.07 22.92 -19 2 6 -1.69 3.21 -19 -2 6 -1.68 1.85 -19 2 6 -2.83 3.11 -19 2 6 -1.89 3.59 -19 -2 5 137.82 17.22 -19 2 5 114.45 16.07 19 -2 -5 126.30 23.94 19 2 -5 129.95 24.73 -19 2 5 131.53 22.83 -19 -2 4 17.64 6.60 -19 2 4 11.24 5.59 19 -2 -4 3.21 7.07 19 2 -4 6.83 7.51 19 -2 -3 91.67 20.46 19 -2 -3 93.86 14.63 19 3 -8 -4.25 6.61 -19 -3 8 3.28 3.61 -19 3 8 2.88 3.16 19 3 -7 16.43 10.10 19 -3 -7 4.30 6.68 -19 3 7 3.31 3.64 -19 -3 7 3.29 4.79 -19 3 6 22.52 7.04 19 3 -6 23.21 11.27 19 -3 -6 32.45 13.39 -19 3 6 18.38 6.90 -19 -3 6 21.60 7.34 -19 -3 5 6.18 4.49 -19 3 5 1.54 3.38 20 0 -5 -2.44 3.79 -20 1 7 100.61 19.34 0 0 0 0.00 0.00 TITL IN-3 RAJESH in P2(1)/c REM P2(1)/c (#14 in standard setting) CELL 0.71073 15.734973 7.945843 14.738448 90.0000 110.6777 90.0000 ZERR 4.00 0.000310 0.000126 0.000302 0.0000 0.0022 0.0000 LATT 1 SYMM -x, y+1/2,-z+1/2 SFAC C H N O Na S In UNIT 56.00 56.00 8.00 20.00 4.00 8.00 4.00 TREF HKLF 4 END _computing_structure_solution 'SHELXT 2018/2 (Sheldrick, 2018)' ; _shelx_hkl_checksum 77928 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y-1/2, z-1/2' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_site_symmetry_order _atom_site_calc_flag _atom_site_refinement_flags_posn _atom_site_refinement_flags_adp _atom_site_refinement_flags_occupancy _atom_site_disorder_assembly _atom_site_disorder_group C1 C 0.14568(18) 0.5894(3) 0.31429(19) 0.0302(6) Uani 1 1 d . . . . . C10 C 0.34039(19) 1.1129(3) 0.4684(2) 0.0327(6) Uani 1 1 d . . . . . C3 C 0.11180(19) 1.1356(4) 0.1398(2) 0.0352(6) Uani 1 1 d . . . . . C9 C 0.40283(18) 1.1374(3) 0.4143(2) 0.0334(6) Uani 1 1 d . . . . . C8 C 0.4823(2) 1.2300(4) 0.4509(2) 0.0476(8) Uani 1 1 d . . . . . H8 H 0.496075 1.287485 0.509295 0.057 Uiso 1 1 calc R U . . . C14 C 0.21275(19) 0.9775(4) 0.4746(2) 0.0400(7) Uani 1 1 d . . . . . H14 H 0.162968 0.908061 0.445469 0.048 Uiso 1 1 calc R U . . . C13 C 0.2260(2) 1.0412(4) 0.5656(2) 0.0482(8) Uani 1 1 d . . . . . H13 H 0.186912 1.012885 0.597958 0.058 Uiso 1 1 calc R U . . . C11 C 0.3552(2) 1.1838(4) 0.5582(2) 0.0476(8) Uani 1 1 d . . . . . H11 H 0.403913 1.256429 0.585454 0.057 Uiso 1 1 calc R U . . . C5 C 0.4373(2) 1.0664(4) 0.2795(2) 0.0435(7) Uani 1 1 d . . . . . H5 H 0.421374 1.012052 0.219918 0.052 Uiso 1 1 calc R U . . . C2 C 0.23835(19) 0.5068(4) 0.3488(2) 0.0429(7) Uani 1 1 d . . . . . H2A H 0.233720 0.403972 0.311888 0.051 Uiso 1 1 calc R U . . . H2B H 0.252390 0.474266 0.416006 0.051 Uiso 1 1 calc R U . . . C6 C 0.5185(2) 1.1533(4) 0.3135(3) 0.0518(9) Uani 1 1 d . . . . . H6 H 0.557246 1.155476 0.278259 0.062 Uiso 1 1 calc R U . . . C7 C 0.5406(2) 1.2362(5) 0.4001(3) 0.0577(9) Uani 1 1 d . . . . . H7 H 0.594689 1.296347 0.424446 0.069 Uiso 1 1 calc R U . . . C12 C 0.2979(2) 1.1468(4) 0.6073(2) 0.0546(9) Uani 1 1 d . . . . . H12 H 0.307745 1.193056 0.668186 0.065 Uiso 1 1 calc R U . . . C4 C 0.1348(2) 1.0329(4) 0.0642(2) 0.0469(8) Uani 1 1 d . . . . . H4A H 0.144294 1.110885 0.017985 0.056 Uiso 1 1 calc R U . . . H4B H 0.082094 0.965302 0.029128 0.056 Uiso 1 1 calc R U . . . N1 N 0.38076(15) 1.0575(3) 0.32918(17) 0.0338(5) Uani 1 1 d . . . . . O1 O 0.0075(2) 0.1354(4) 0.4126(2) 0.0750(9) Uani 1 1 d . . . . . H1 H -0.011669 0.038550 0.404158 0.113 Uiso 1 1 calc R U . . . In1 In 0.24929(2) 0.88998(2) 0.27814(2) 0.02892(8) Uani 1 1 d . . . . . S1 S 0.33389(5) 0.62499(9) 0.34165(6) 0.04078(19) Uani 1 1 d . . . . . S2 S 0.23119(6) 0.89552(10) 0.10533(6) 0.0474(2) Uani 1 1 d . . . . . Na1 Na 0.02677(7) 0.23395(13) 0.27032(8) 0.0363(3) Uani 1 1 d . . . . . O4 O 0.14915(13) 1.0992(2) 0.22952(14) 0.0355(5) Uani 1 1 d . . . . . O3 O 0.13718(11) 0.7455(2) 0.29285(14) 0.0331(4) Uani 1 1 d . . . . . O2 O 0.07978(13) 0.5010(2) 0.30936(15) 0.0399(5) Uani 1 1 d . . . . . O5 O 0.05582(14) 1.2510(3) 0.11003(14) 0.0468(5) Uani 1 1 d . . . . . N2 N 0.26869(14) 1.0117(3) 0.42656(15) 0.0313(5) Uani 1 1 d . . . . . H002 H -0.013(3) 0.209(6) 0.444(4) 0.12(2) Uiso 1 1 d . . . . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 C1 0.0321(15) 0.0309(15) 0.0271(14) -0.0028(11) 0.0095(11) -0.0021(11) C10 0.0329(15) 0.0291(15) 0.0318(15) 0.0025(11) 0.0059(12) 0.0021(11) C3 0.0318(15) 0.0393(17) 0.0361(16) 0.0018(13) 0.0139(13) -0.0012(12) C9 0.0289(14) 0.0291(15) 0.0367(16) 0.0057(12) 0.0046(12) 0.0024(11) C8 0.0378(17) 0.050(2) 0.0454(18) 0.0012(15) 0.0029(14) -0.0106(14) C14 0.0368(16) 0.0443(18) 0.0423(17) -0.0041(14) 0.0180(13) -0.0051(13) C13 0.058(2) 0.051(2) 0.0455(19) -0.0025(16) 0.0303(16) -0.0001(16) C11 0.0509(19) 0.0455(19) 0.0395(17) -0.0117(15) 0.0076(15) -0.0077(15) C5 0.0393(17) 0.0446(18) 0.0509(19) 0.0051(15) 0.0213(15) 0.0020(14) C2 0.0375(16) 0.0372(17) 0.0532(19) 0.0104(15) 0.0151(14) 0.0041(13) C6 0.0366(17) 0.061(2) 0.064(2) 0.0191(18) 0.0255(17) 0.0013(15) C7 0.0330(17) 0.066(2) 0.066(2) 0.0115(19) 0.0080(16) -0.0159(16) C12 0.066(2) 0.063(2) 0.0369(18) -0.0136(16) 0.0207(17) -0.0037(18) C4 0.0453(18) 0.059(2) 0.0331(16) -0.0058(15) 0.0098(14) 0.0091(15) N1 0.0301(12) 0.0328(12) 0.0394(14) 0.0037(11) 0.0135(10) -0.0026(10) O1 0.080(2) 0.090(2) 0.0496(16) 0.0033(15) 0.0158(15) -0.0330(17) In1 0.02682(12) 0.02903(12) 0.03123(13) -0.00102(8) 0.01064(9) -0.00168(7) S1 0.0266(4) 0.0404(4) 0.0531(5) 0.0056(3) 0.0114(3) 0.0051(3) S2 0.0576(5) 0.0531(5) 0.0355(4) -0.0012(3) 0.0213(4) 0.0168(4) Na1 0.0307(6) 0.0337(6) 0.0459(7) -0.0025(5) 0.0152(5) -0.0032(4) O4 0.0388(11) 0.0386(11) 0.0301(11) 0.0010(8) 0.0135(9) 0.0071(8) O3 0.0244(9) 0.0270(10) 0.0467(11) 0.0030(9) 0.0111(8) -0.0009(7) O2 0.0354(11) 0.0301(11) 0.0551(13) -0.0004(9) 0.0173(10) -0.0071(8) O5 0.0471(13) 0.0550(14) 0.0393(12) 0.0083(10) 0.0164(10) 0.0173(11) N2 0.0319(12) 0.0299(13) 0.0312(12) -0.0013(10) 0.0099(10) -0.0013(9) 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' N N 0.0061 0.0033 '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' Na Na 0.0362 0.0249 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' In In -0.7276 1.3100 '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 O2 C1 O3 121.8(2) . . ? O2 C1 C2 117.6(2) . . ? O3 C1 C2 120.6(2) . . ? O2 C1 Na1 62.93(15) . 2 ? O3 C1 Na1 59.37(13) . 2 ? C2 C1 Na1 173.7(2) . 2 ? N2 C10 C11 120.9(3) . . ? N2 C10 C9 116.2(2) . . ? C11 C10 C9 122.9(3) . . ? O5 C3 O4 122.9(3) . . ? O5 C3 C4 117.4(3) . . ? O4 C3 C4 119.7(3) . . ? O5 C3 Na1 65.55(15) . 1_565 ? O4 C3 Na1 60.69(14) . 1_565 ? C4 C3 Na1 160.3(2) . 1_565 ? N1 C9 C8 121.1(3) . . ? N1 C9 C10 116.1(2) . . ? C8 C9 C10 122.7(3) . . ? C7 C8 C9 119.5(3) . . ? C7 C8 H8 120.3 . . ? C9 C8 H8 120.3 . . ? N2 C14 C13 122.5(3) . . ? N2 C14 H14 118.7 . . ? C13 C14 H14 118.7 . . ? C12 C13 C14 118.7(3) . . ? C12 C13 H13 120.6 . . ? C14 C13 H13 120.6 . . ? C12 C11 C10 119.9(3) . . ? C12 C11 H11 120.0 . . ? C10 C11 H11 120.0 . . ? N1 C5 C6 122.4(3) . . ? N1 C5 H5 118.8 . . ? C6 C5 H5 118.8 . . ? C1 C2 S1 118.5(2) . . ? C1 C2 H2A 107.7 . . ? S1 C2 H2A 107.7 . . ? C1 C2 H2B 107.7 . . ? S1 C2 H2B 107.7 . . ? H2A C2 H2B 107.1 . . ? C7 C6 C5 118.5(3) . . ? C7 C6 H6 120.7 . . ? C5 C6 H6 120.7 . . ? C6 C7 C8 119.5(3) . . ? C6 C7 H7 120.3 . . ? C8 C7 H7 120.3 . . ? C13 C12 C11 119.1(3) . . ? C13 C12 H12 120.4 . . ? C11 C12 H12 120.4 . . ? C3 C4 S2 118.0(2) . . ? C3 C4 H4A 107.8 . . ? S2 C4 H4A 107.8 . . ? C3 C4 H4B 107.8 . . ? S2 C4 H4B 107.8 . . ? H4A C4 H4B 107.1 . . ? C9 N1 C5 119.0(3) . . ? C9 N1 In1 118.47(18) . . ? C5 N1 In1 122.3(2) . . ? Na1 O1 H1 109.5 . . ? Na1 O1 H002 116(3) . . ? H1 O1 H002 121.5 . . ? O3 In1 O4 85.40(7) . . ? O3 In1 N2 88.13(7) . . ? O4 In1 N2 80.45(7) . . ? O3 In1 N1 156.80(8) . . ? O4 In1 N1 97.07(8) . . ? N2 In1 N1 69.68(8) . . ? O3 In1 S2 108.09(5) . . ? O4 In1 S2 81.00(5) . . ? N2 In1 S2 154.19(6) . . ? N1 In1 S2 95.07(6) . . ? O3 In1 S1 82.01(5) . . ? O4 In1 S1 167.25(5) . . ? N2 In1 S1 97.11(6) . . ? N1 In1 S1 93.75(6) . . ? S2 In1 S1 104.79(3) . . ? C2 S1 In1 96.68(9) . . ? C4 S2 In1 97.83(10) . . ? O2 Na1 O1 103.62(10) . . ? O2 Na1 O3 107.94(8) . 2_545 ? O1 Na1 O3 84.27(9) . 2_545 ? O2 Na1 O4 102.66(8) . 1_545 ? O1 Na1 O4 115.56(11) . 1_545 ? O3 Na1 O4 138.16(8) 2_545 1_545 ? O2 Na1 O2 159.23(7) . 2_545 ? O1 Na1 O2 84.04(9) . 2_545 ? O3 Na1 O2 52.98(6) 2_545 2_545 ? O4 Na1 O2 90.91(7) 1_545 2_545 ? O2 Na1 O5 90.86(8) . 1_545 ? O1 Na1 O5 163.47(11) . 1_545 ? O3 Na1 O5 99.00(7) 2_545 1_545 ? O4 Na1 O5 52.20(6) 1_545 1_545 ? O2 Na1 O5 85.08(7) 2_545 1_545 ? O2 Na1 C1 134.82(8) . 2_545 ? O1 Na1 C1 81.44(9) . 2_545 ? O3 Na1 C1 27.01(6) 2_545 2_545 ? O4 Na1 C1 115.60(8) 1_545 2_545 ? O2 Na1 C1 26.11(6) 2_545 2_545 ? O5 Na1 C1 94.09(8) 1_545 2_545 ? O2 Na1 C3 102.20(8) . 1_545 ? O1 Na1 C3 139.27(12) . 1_545 ? O3 Na1 C3 116.60(8) 2_545 1_545 ? O4 Na1 C3 26.95(7) 1_545 1_545 ? O2 Na1 C3 82.80(8) 2_545 1_545 ? O5 Na1 C3 26.11(7) 1_545 1_545 ? C1 Na1 C3 101.61(9) 2_545 1_545 ? O2 Na1 Na1 33.34(5) . 2 ? O1 Na1 Na1 111.79(10) . 2 ? O3 Na1 Na1 76.61(6) 2_545 2 ? O4 Na1 Na1 122.00(6) 1_545 2 ? O2 Na1 Na1 125.89(6) 2_545 2 ? O5 Na1 Na1 84.70(6) 1_545 2 ? C1 Na1 Na1 102.56(7) 2_545 2 ? C3 Na1 Na1 107.14(7) 1_545 2 ? O2 Na1 Na1 170.64(8) . 2_545 ? O1 Na1 Na1 73.80(9) . 2_545 ? O3 Na1 Na1 80.94(6) 2_545 2_545 ? O4 Na1 Na1 71.17(5) 1_545 2_545 ? O2 Na1 Na1 30.12(5) 2_545 2_545 ? O5 Na1 Na1 90.63(6) 1_545 2_545 ? C1 Na1 Na1 54.23(6) 2_545 2_545 ? C3 Na1 Na1 75.61(6) 1_545 2_545 ? Na1 Na1 Na1 156.01(6) 2 2_545 ? C3 O4 In1 121.12(17) . . ? C3 O4 Na1 92.36(16) . 1_565 ? In1 O4 Na1 140.64(9) . 1_565 ? C1 O3 In1 121.30(16) . . ? C1 O3 Na1 93.61(15) . 2 ? In1 O3 Na1 140.68(9) . 2 ? C1 O2 Na1 140.40(18) . . ? C1 O2 Na1 90.96(16) . 2 ? Na1 O2 Na1 116.54(8) . 2 ? C3 O5 Na1 88.33(17) . 1_565 ? C14 N2 C10 118.8(2) . . ? C14 N2 In1 121.60(18) . . ? C10 N2 In1 119.53(18) . . ? 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 C1 O2 1.233(3) . ? C1 O3 1.275(3) . ? C1 C2 1.514(4) . ? C1 Na1 2.801(3) 2 ? C10 N2 1.345(3) . ? C10 C11 1.381(4) . ? C10 C9 1.480(4) . ? C3 O5 1.239(3) . ? C3 O4 1.277(3) . ? C3 C4 1.524(4) . ? C3 Na1 2.815(3) 1_565 ? C9 N1 1.338(4) . ? C9 C8 1.386(4) . ? C8 C7 1.375(5) . ? C8 H8 0.9300 . ? C14 N2 1.338(3) . ? C14 C13 1.379(4) . ? C14 H14 0.9300 . ? C13 C12 1.367(5) . ? C13 H13 0.9300 . ? C11 C12 1.373(5) . ? C11 H11 0.9300 . ? C5 N1 1.339(4) . ? C5 C6 1.381(4) . ? C5 H5 0.9300 . ? C2 S1 1.807(3) . ? C2 H2A 0.9700 . ? C2 H2B 0.9700 . ? C6 C7 1.368(5) . ? C6 H6 0.9300 . ? C7 H7 0.9300 . ? C12 H12 0.9300 . ? C4 S2 1.791(3) . ? C4 H4A 0.9700 . ? C4 H4B 0.9700 . ? N1 In1 2.349(2) . ? O1 Na1 2.356(3) . ? O1 H1 0.8200 . ? O1 H002 0.88(5) . ? In1 O3 2.1790(17) . ? In1 O4 2.2276(18) . ? In1 N2 2.312(2) . ? In1 S2 2.4613(8) . ? In1 S1 2.4903(7) . ? Na1 O2 2.279(2) . ? Na1 O3 2.4154(19) 2_545 ? Na1 O4 2.457(2) 1_545 ? Na1 O2 2.495(2) 2_545 ? Na1 O5 2.563(2) 1_545 ? Na1 Na1 4.0615(4) 2 ? Na1 Na1 4.0616(4) 2_545 ? 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 N2 C10 C9 N1 0.7(3) . . . . ? C11 C10 C9 N1 178.4(3) . . . . ? N2 C10 C9 C8 -176.1(3) . . . . ? C11 C10 C9 C8 1.6(4) . . . . ? N1 C9 C8 C7 -1.8(4) . . . . ? C10 C9 C8 C7 174.8(3) . . . . ? N2 C14 C13 C12 1.7(5) . . . . ? N2 C10 C11 C12 2.1(5) . . . . ? C9 C10 C11 C12 -175.6(3) . . . . ? O2 C1 C2 S1 171.9(2) . . . . ? O3 C1 C2 S1 -9.2(4) . . . . ? N1 C5 C6 C7 -1.5(5) . . . . ? C5 C6 C7 C8 0.4(5) . . . . ? C9 C8 C7 C6 1.1(5) . . . . ? C14 C13 C12 C11 -1.1(5) . . . . ? C10 C11 C12 C13 -0.7(5) . . . . ? O5 C3 C4 S2 167.5(2) . . . . ? O4 C3 C4 S2 -13.3(4) . . . . ? Na1 C3 C4 S2 -98.7(6) 1_565 . . . ? C8 C9 N1 C5 0.8(4) . . . . ? C10 C9 N1 C5 -176.1(2) . . . . ? C8 C9 N1 In1 176.2(2) . . . . ? C10 C9 N1 In1 -0.6(3) . . . . ? C6 C5 N1 C9 0.9(4) . . . . ? C6 C5 N1 In1 -174.4(2) . . . . ? C1 C2 S1 In1 2.5(2) . . . . ? C3 C4 S2 In1 16.1(3) . . . . ? O5 C3 O4 In1 180.0(2) . . . . ? C4 C3 O4 In1 0.9(4) . . . . ? Na1 C3 O4 In1 158.24(18) 1_565 . . . ? O5 C3 O4 Na1 21.8(3) . . . 1_565 ? C4 C3 O4 Na1 -157.3(2) . . . 1_565 ? O2 C1 O3 In1 -169.50(19) . . . . ? C2 C1 O3 In1 11.7(3) . . . . ? Na1 C1 O3 In1 -161.00(18) 2 . . . ? O2 C1 O3 Na1 -8.5(3) . . . 2 ? C2 C1 O3 Na1 172.7(2) . . . 2 ? O3 C1 O2 Na1 144.4(2) . . . . ? C2 C1 O2 Na1 -36.8(4) . . . . ? Na1 C1 O2 Na1 136.2(3) 2 . . . ? O3 C1 O2 Na1 8.2(3) . . . 2 ? C2 C1 O2 Na1 -172.9(2) . . . 2 ? O4 C3 O5 Na1 -20.8(3) . . . 1_565 ? C4 C3 O5 Na1 158.3(2) . . . 1_565 ? C13 C14 N2 C10 -0.4(4) . . . . ? C13 C14 N2 In1 176.2(2) . . . . ? C11 C10 N2 C14 -1.5(4) . . . . ? C9 C10 N2 C14 176.3(2) . . . . ? C11 C10 N2 In1 -178.2(2) . . . . ? C9 C10 N2 In1 -0.4(3) . . . . ?