#------------------------------------------------------------------------------ #$Date: 2016-04-04 14:51:29 +0300 (Mon, 04 Apr 2016) $ #$Revision: 181435 $ #$URL: file:///home/coder/svn-repositories/cod/cif/4/12/49/4124929.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_4124929 loop_ _publ_author_name 'Xie, Da' 'King, Tyler L.' 'Banerjee, Arnab' 'Kohli, Vikraant' 'Que, Emily L.' _publ_section_title ; Exploiting Copper Redox for (19)F Magnetic Resonance-Based Detection of Cellular Hypoxia. ; _journal_issue 9 _journal_name_full 'Journal of the American Chemical Society' _journal_page_first 2937 _journal_page_last 2940 _journal_paper_doi 10.1021/jacs.5b13215 _journal_volume 138 _journal_year 2016 _chemical_formula_moiety 'C9 H13 Cu F3 N6 S2' _chemical_formula_sum 'C9 H13 Cu F3 N6 S2' _chemical_formula_weight 389.91 _chemical_name_systematic ; ? ; _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' _symmetry_space_group_name_Hall '-P 2yn' _symmetry_space_group_name_H-M 'P 1 21/n 1' _atom_sites_solution_hydrogens mixed _audit_creation_method SHELXL-2013 _cell_angle_alpha 90 _cell_angle_beta 98.606(6) _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 18.3804(12) _cell_length_b 4.2514(3) _cell_length_c 19.3037(10) _cell_measurement_reflns_used 2242 _cell_measurement_temperature 100(2) _cell_measurement_theta_max 74.0 _cell_measurement_theta_min 3.06 _cell_volume 1491.45(16) _computing_cell_refinement 'CrysAlisPro V 1.171.37.31, Agilent Technologies' _computing_data_collection 'CrysAlisPro V 1.171.37.31, Agilent Technologies' _computing_data_reduction 'CrysAlisPro V 1.171.37.31, Agilent Technologies' _computing_molecular_graphics 'XP SHELXTL/PC, Siemens Analytical' _computing_publication_material 'XL SHELXTL/PC, Siemens Analytical' _computing_structure_refinement 'Shelxl-2013, Sheldrick, G. M.' _computing_structure_solution ; SUPERFLIP. Palatinus, L. and Chapuis, G., J. Appl. Cryst. 40, 786-790. ; _diffrn_ambient_temperature 100(2) _diffrn_measured_fraction_theta_full 0.991 _diffrn_measured_fraction_theta_max 0.970 _diffrn_measurement_device_type 'Agilent SuperNova with AtlasS2 CCD' _diffrn_measurement_method \w-scans _diffrn_radiation_type CuK\a _diffrn_radiation_wavelength 1.54184 _diffrn_reflns_av_R_equivalents 0.0388 _diffrn_reflns_av_unetI/netI 0.0452 _diffrn_reflns_Laue_measured_fraction_full 0.991 _diffrn_reflns_Laue_measured_fraction_max 0.970 _diffrn_reflns_limit_h_max 22 _diffrn_reflns_limit_h_min -22 _diffrn_reflns_limit_k_max 4 _diffrn_reflns_limit_k_min -5 _diffrn_reflns_limit_l_max 23 _diffrn_reflns_limit_l_min -21 _diffrn_reflns_number 7501 _diffrn_reflns_point_group_measured_fraction_full 0.991 _diffrn_reflns_point_group_measured_fraction_max 0.970 _diffrn_reflns_theta_full 67.684 _diffrn_reflns_theta_max 76.063 _diffrn_reflns_theta_min 3.097 _diffrn_source 'sealed microfocus tube' _exptl_absorpt_coefficient_mu 5.031 _exptl_absorpt_correction_T_max 0.919 _exptl_absorpt_correction_T_min 0.590 _exptl_absorpt_correction_type gaussian _exptl_absorpt_process_details ; CrysAlisPro, Agilent Technologies, Version 1.171.37.35h (release 09-02-2015 CrysAlis171 .NET) (compiled Feb 9 2015,16:26:32) Numerical absorption correction based on gaussian integration over a multifaceted crystal model ; _exptl_crystal_colour red _exptl_crystal_density_diffrn 1.736 _exptl_crystal_description needles _exptl_crystal_F_000 788 _exptl_crystal_size_max 0.230 _exptl_crystal_size_mid 0.030 _exptl_crystal_size_min 0.020 _refine_diff_density_max 0.496 _refine_diff_density_min -0.603 _refine_diff_density_rms 0.099 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.018 _refine_ls_hydrogen_treatment mixed _refine_ls_matrix_type full _refine_ls_number_parameters 201 _refine_ls_number_reflns 3031 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 1.018 _refine_ls_R_factor_all 0.0568 _refine_ls_R_factor_gt 0.0463 _refine_ls_shift/su_max 0.013 _refine_ls_shift/su_mean 0.001 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0684P)^2^+1.7922P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.1186 _refine_ls_wR_factor_ref 0.1262 _reflns_Friedel_coverage 0.000 _reflns_number_gt 2564 _reflns_number_total 3031 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file ja5b13215_si_001.cif _cod_data_source_block shelx _cod_depositor_comments 'Adding full bibliography for 4124928--4124929.cif.' _cod_database_code 4124929 _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_min 0.391 _shelx_estimated_absorpt_t_max 0.906 _shelxl_version_number 2013-4 _shelx_res_file ; TITL shelx P 21/n red needles Agilent CELL 1.54184 18.3804 4.2514 19.3037 90.000 98.606 90.000 ZERR 4.00 0.0012 0.0003 0.0010 0.000 0.006 0.000 LATT 1 SYMM 1/2 - X, 1/2 + Y, 1/2 - Z SFAC C H CU F N S UNIT 36 52 4 12 24 8 MERG 2 rem isor .01 .02 c1 > s2 FMAP 2 PLAN 20 htab n6 s2_$1 htab n1 s1_$2 eqiv $1 -x+1, -y+1, -z+1 eqiv $2 -x+3/2, y-1/2, -z+1/2 size .02 .03 .23 ACTA BOND $H htab CONF LIST 4 L.S. 5 TEMP -173.00 WGHT 0.068400 1.792200 FVAR 4.41627 C1 1 0.709060 0.139359 0.089787 11.00000 0.05245 0.07101 = 0.03543 -0.00108 0.02157 0.02428 AFIX 137 H1A 2 0.670520 0.026772 0.058878 11.00000 -1.50000 H1B 2 0.757429 0.061410 0.082222 11.00000 -1.50000 H1C 2 0.705556 0.364904 0.079338 11.00000 -1.50000 AFIX 0 C2 1 0.646615 0.226683 0.191681 11.00000 0.02494 0.02980 = 0.02635 -0.00335 0.00819 -0.00050 C3 1 0.497145 0.720402 0.157716 11.00000 0.02717 0.02780 = 0.02492 -0.00091 0.00676 -0.00096 C4 1 0.451262 0.859203 0.206459 11.00000 0.02210 0.02503 = 0.02162 0.00032 0.00366 -0.00020 C5 1 0.462880 0.789433 0.384648 11.00000 0.02089 0.02069 = 0.02371 0.00069 0.00649 -0.00199 C6 1 0.365975 1.082452 0.432250 11.00000 0.02129 0.03316 = 0.02803 0.00006 0.00822 0.00180 AFIX 23 H6A 2 0.366870 1.218359 0.390742 11.00000 -1.20000 H6B 2 0.369771 1.219964 0.474025 11.00000 -1.20000 AFIX 0 C7 1 0.294683 0.908690 0.424468 11.00000 0.02969 0.03306 = 0.03869 0.00532 0.01440 0.00488 C8 1 0.483385 0.784800 0.081131 11.00000 0.04037 0.04267 = 0.02222 0.00165 0.00505 0.00876 AFIX 137 H8A 2 0.517636 0.661284 0.057769 11.00000 -1.50000 H8B 2 0.490743 1.009233 0.072897 11.00000 -1.50000 H8C 2 0.432712 0.726309 0.062270 11.00000 -1.50000 AFIX 0 C9 1 0.384605 1.054713 0.182798 11.00000 0.02743 0.03263 = 0.02544 0.00266 0.00239 0.00487 AFIX 137 H9A 2 0.340695 0.921010 0.177690 11.00000 -1.50000 H9B 2 0.389072 1.152271 0.137631 11.00000 -1.50000 H9C 2 0.380335 1.219074 0.217557 11.00000 -1.50000 AFIX 0 CU1 3 0.559862 0.519925 0.291001 11.00000 0.01937 0.02657 = 0.01907 0.00051 0.00646 0.00227 F1 4 0.290076 0.721682 0.480113 11.00000 0.04625 0.04086 = 0.05725 0.01595 0.02835 0.00377 F2 4 0.283428 0.724637 0.367728 11.00000 0.03222 0.03970 = 0.04811 -0.00363 0.00568 -0.00996 F3 4 0.236601 1.106707 0.420639 11.00000 0.02704 0.04056 = 0.07138 0.00978 0.01388 0.00728 N1 5 0.699658 0.087328 0.162492 11.00000 0.03455 0.03779 = 0.03066 -0.00109 0.01150 0.01016 N2 5 0.598101 0.402420 0.150642 11.00000 0.02887 0.03545 = 0.02296 -0.00346 0.01058 0.00543 N3 5 0.550363 0.543897 0.187948 11.00000 0.02707 0.02373 = 0.02040 -0.00104 0.00747 0.00051 N4 5 0.472142 0.785398 0.271732 11.00000 0.02049 0.02321 = 0.02279 -0.00081 0.00822 0.00040 N5 5 0.432557 0.885356 0.321974 11.00000 0.01901 0.02446 = 0.02119 0.00004 0.00641 0.00120 N6 5 0.428558 0.872698 0.439422 11.00000 0.02306 0.02939 = 0.02141 0.00237 0.00837 0.00136 S1 6 0.648224 0.160129 0.282205 11.00000 0.02179 0.02767 = 0.02472 0.00014 0.00745 0.00230 S2 6 0.543077 0.562277 0.403977 11.00000 0.02057 0.02797 = 0.01937 0.00346 0.00726 0.00308 H6N 2 0.441866 0.811010 0.476393 11.00000 0.03034 H1N 2 0.729125 -0.040190 0.187716 11.00000 0.02851 HKLF 4 REM shelx P 21/n red needles Agilent REM R1 = 0.0463 for 2564 Fo > 4sig(Fo) and 0.0568 for all 3031 data REM 201 parameters refined using 0 restraints END WGHT 0.0622 1.8891 REM Instructions for potential hydrogen bonds EQIV $3 x+1/2, -y+1/2, z-1/2 HTAB C1 F1_$3 EQIV $4 -x+1, -y+2, -z+1 HTAB C6 S2_$4 EQIV $5 -x+1/2, y-1/2, -z+1/2 HTAB C9 F3_$5 HTAB N6 S2_$1 HTAB N1 S1_$2 REM Highest difference peak 0.496, deepest hole -0.603, 1-sigma level 0.099 Q1 1 0.6463 -0.1656 0.0295 11.00000 0.05 0.50 Q2 1 0.5720 0.8049 0.2987 11.00000 0.05 0.41 Q3 1 0.5572 0.4873 0.3932 11.00000 0.05 0.41 Q4 1 0.2298 0.4314 0.4784 11.00000 0.05 0.41 Q5 1 0.4701 0.7794 0.1763 11.00000 0.05 0.40 Q6 1 0.5730 0.4780 0.1725 11.00000 0.05 0.39 Q7 1 0.5564 0.2200 0.3092 11.00000 0.05 0.39 Q8 1 0.5710 0.7299 0.3579 11.00000 0.05 0.38 Q9 1 0.5487 0.5153 0.2225 11.00000 0.05 0.38 Q10 1 0.6316 -0.1036 0.3087 11.00000 0.05 0.38 Q11 1 0.7584 -0.2925 0.0602 11.00000 0.05 0.38 Q12 1 0.5384 0.8522 0.4196 11.00000 0.05 0.37 Q13 1 0.5291 0.5145 0.4239 11.00000 0.05 0.37 Q14 1 0.5289 0.4024 0.3223 11.00000 0.05 0.36 Q15 1 0.6785 0.4878 0.3118 11.00000 0.05 0.35 Q16 1 0.6305 0.5316 0.2145 11.00000 0.05 0.35 Q17 1 0.5851 0.7505 0.2472 11.00000 0.05 0.35 Q18 1 0.5892 1.0105 0.3982 11.00000 0.05 0.34 Q19 1 0.5800 0.2390 0.2765 11.00000 0.05 0.33 Q20 1 0.5329 0.2277 0.2673 11.00000 0.05 0.32 ; _shelx_res_checksum 58707 _shelx_hkl_file ; 0 0 1-54.5004 98.1481 2 0 0 2 361579. 4984.90 2 0 0 2 356088. 4794.76 3 0 0 3 72.6154 256.457 3 0 0 3 356.459 306.810 2 0 0 4 30366.3 1443.75 2 0 0 4 28860.8 1283.79 3 0 0 5-186.168 427.421 2 0 0 5-101.204 417.747 3 0 0 6 50126.7 2012.09 3 0 0 6 50605.2 2261.67 2 0 0 7 81.7850 431.150 3 0 0 7-634.834 599.005 2 0 0 8 304856. 7049.87 2 0 0 8 309734. 6577.71 3 0 0 9 536.144 486.571 2 0 0 9 328.361 464.361 3 0 0 10 249739. 7243.07 2 0 0 10 253473. 6863.82 3 0 0 11-44.8637 489.885 3 0 0 12 18661.3 2048.52 3 0 0 13 273.821 734.702 3 0 0 14 89644.1 5305.28 3 0 0 15 100.843 430.673 13 0 0 15-809.676 786.595 3 0 0 15-348.494 465.524 7 0 0 16 69005.4 3215.78 7 0 0 16 61184.7 4897.86 3 0 0 16 67898.4 2769.96 13 0 0 17 691.214 565.120 13 0 0 17-359.582 485.142 7 0 0 18 937.406 506.031 13 0 0 18 1811.71 672.547 7 0 0 19-189.118 431.620 13 0 0 19-643.322 548.662 7 0 0 20 1035.67 508.751 13 0 0 20 182.948 488.863 7 0 0 21-199.170 380.512 13 0 0 21 86.7255 375.826 7 0 0 22 1032.48 402.996 13 0 0 22 675.917 335.501 7 0 -1 0 366.963 425.467 1 0 -1 0 70.1468 283.555 2 0 -1 1 3734.01 552.957 2 0 -1 -1 3399.29 593.875 1 0 -1 1 3429.63 647.552 1 0 -1 2 115240. 3269.91 1 0 -1 -2 109980. 3244.54 1 0 1 2 111488. 2658.08 4 0 1 3 72323.8 2037.35 4 0 -1 3 72194.2 2555.70 2 0 -1 3 71772.0 2451.03 1 0 -1 4-330.610 382.993 1 0 -1 4 317.776 446.066 2 0 1 4 140.258 352.047 4 0 -1 4-249.683 523.167 3 0 1 4 391.544 405.316 3 0 -1 5 32543.7 2002.95 3 0 -1 5 34107.0 1642.26 1 0 1 5 33937.8 1334.22 4 0 1 5 35980.2 1768.62 3 0 -1 5 34383.9 2059.84 2 0 -1 6 27169.4 2020.69 3 0 -1 6 29072.1 1518.07 1 0 1 6 29631.6 1677.02 3 0 -1 6 30354.3 2091.18 2 0 1 6 28022.8 1247.49 4 0 1 7 28734.0 1792.90 3 0 1 7 29735.8 1319.80 4 0 -1 7 26955.3 1574.34 1 0 -1 7 29673.0 2208.43 2 0 -1 7 30028.6 2221.95 3 0 -1 8 19589.1 1301.67 1 0 1 8 23760.2 1714.22 3 0 -1 8 23422.7 2085.95 3 0 -1 8 21592.4 2010.41 2 0 -1 9 121393. 5149.00 2 0 -1 9 120965. 5008.66 3 0 1 9 123656. 4361.77 3 0 -1 10 3998.35 1093.96 3 0 -1 10 2721.84 959.048 2 0 1 10 4351.01 1002.57 3 0 1 11 8478.37 1365.23 3 0 -1 11 6497.22 1585.52 3 0 1 12 20883.4 2222.23 3 0 -1 12 15444.3 2305.41 3 0 -1 13 17527.9 2503.60 3 0 1 13 19664.9 2372.76 3 0 -1 14 490.926 751.026 3 0 1 14-403.466 472.549 7 0 1 14 33.7826 539.465 3 0 -1 14 218.449 526.220 13 0 1 15-387.914 711.583 3 0 -1 15 877.695 411.293 11 0 -1 15-662.769 1066.24 3 0 1 15 444.122 419.644 7 0 -1 15 170.820 445.972 13 0 1 16 1466.46 639.266 7 0 -1 16 1219.55 557.250 13 0 -1 17 69198.6 2928.80 13 0 1 17 65549.1 3231.53 7 0 -1 18 3046.69 762.319 13 0 1 18 3436.34 845.084 7 0 -1 19 29544.7 1927.23 13 0 1 19 26361.5 1966.43 7 0 1 20 4906.80 849.308 7 0 -1 20 3969.71 903.970 13 0 1 21 18.3398 376.543 7 0 -1 21-242.903 440.318 13 0 1 22 8300.83 803.230 7 0 -1 22 9268.04 843.959 13 0 -1 23 3448.47 462.298 13 0 1 23 2348.15 381.174 7 0 -2 0 19035.4 2033.85 1 0 2 1 73219.1 3081.79 4 0 -2 1 74828.3 3912.45 1 0 -2 -1 78924.9 4114.63 1 0 2 2 39392.1 2202.44 4 0 -2 2 41902.8 2838.43 1 0 -2 3 167.413 542.732 1 0 2 3 1081.55 611.346 4 0 2 4-141.881 469.390 4 0 -2 4 457.811 591.204 1 0 -2 5 6267.85 1274.21 1 0 2 5 8707.24 1193.85 3 0 2 5 7517.73 962.203 4 0 -2 6 2958.05 976.071 1 0 2 6 3746.99 798.353 3 0 2 6 4446.86 760.693 4 0 2 7 9880.38 1266.97 3 0 2 7 8150.44 950.045 4 0 -2 7 7384.52 1388.54 1 0 -2 8 86123.9 4488.80 1 0 2 8 82426.2 3877.01 3 0 2 9 27290.4 2269.92 3 0 2 10 63011.2 3642.67 3 0 2 11 18348.5 2142.79 3 0 2 12 2014.88 617.948 7 0 2 12 3072.83 683.975 14 0 -2 12 3056.13 542.597 11 0 -2 12 2591.80 733.710 13 0 2 12 2128.89 750.557 3 0 2 13-812.674 724.712 14 0 2 13 176.170 410.076 7 0 -2 13-224.138 489.799 11 0 -2 13-772.535 483.407 13 0 -2 14 2038.65 565.883 11 0 2 14 1213.39 594.481 7 0 2 14 835.447 528.022 14 0 -2 14 1372.56 582.018 13 0 -2 15 22854.3 1735.99 13 0 -2 15 21842.6 1387.61 11 0 2 15 20710.6 1749.61 7 0 -2 16 3494.76 909.633 13 0 -2 16 6062.34 809.375 11 0 2 16 4470.95 877.356 7 0 -2 17 10112.9 1182.18 13 0 2 17 8812.87 1115.66 7 0 -2 18 272.797 578.269 13 0 2 18-520.323 432.660 7 0 2 19 196.491 401.340 7 0 2 19 887.583 287.017 9 0 -2 19 1189.80 536.754 13 0 -2 20 16395.3 1179.74 13 0 2 20 14740.3 1133.68 7 0 2 21 169.392 250.003 7 0 -2 21 662.394 331.052 13 0 2 22 973.160 273.341 7 0 -2 22 753.672 276.531 13 0 3 0-471.196 839.761 4 0 3 1 17262.4 1984.78 4 0 3 -1 16842.1 2153.63 4 0 3 -2 23278.2 2551.95 4 0 3 2 19993.6 2132.90 4 0 3 3 45544.1 3265.24 3 0 3 3 45361.3 3085.01 4 0 3 4-563.555 636.882 3 0 3 -4 1419.23 1018.18 4 0 3 4 672.950 533.146 4 0 3 5 35722.6 2685.84 4 0 3 5 40341.5 2928.95 3 0 -3 6 1161.85 483.165 11 0 3 -6 1092.26 840.858 4 0 3 6 1428.96 754.049 3 0 3 6 492.954 494.599 14 0 3 7 86751.4 3483.90 14 0 3 7 86907.8 4438.91 3 0 -3 7 88402.4 2875.38 11 0 3 -7 88832.8 5190.82 4 0 3 -8 1866.80 945.148 4 0 -3 8 2336.11 640.636 11 0 3 8 1979.86 708.007 14 0 3 8 3281.16 956.448 3 0 3 -9 40558.9 3384.46 4 0 3 9 37109.1 3104.67 3 0 -3 9 37171.3 1885.24 11 0 3 9 36747.9 2274.89 14 0 -3 10 19987.4 1421.56 11 0 3 10 22005.4 1766.53 14 0 3 11 10869.4 1263.31 14 0 -3 11 11098.8 1105.33 11 0 3 12 496.623 458.984 14 0 -3 12 1282.05 550.875 11 0 -3 13 3199.36 685.082 11 0 3 13 2695.43 721.153 14 0 3 13 2676.54 627.064 7 0 3 14 9065.24 1142.11 14 0 3 14 9690.37 1020.20 7 0 -3 14 10253.5 997.358 11 0 -3 14 7734.21 1050.22 13 0 3 15 542.500 533.335 14 0 -3 15 310.148 531.372 13 0 -3 15-360.697 382.588 11 0 3 15-75.2526 385.400 7 0 3 16 290.004 365.185 14 0 -3 16 496.605 458.541 13 0 -3 16 512.519 403.957 11 0 3 16 494.811 366.582 7 0 3 17 2123.18 399.778 14 0 3 17 2469.15 487.007 7 0 -3 17 3118.21 573.376 13 0 3 18 16460.1 974.580 7 0 -3 18 15291.1 927.867 13 0 3 19 17421.9 832.441 7 0 -4 0 2828.40 639.171 10 0 -4 -1 9090.00 1088.36 10 0 -4 1 8835.34 991.451 10 0 -4 2 6852.09 889.736 10 0 -4 -2 7628.39 973.435 10 0 -4 3 5590.86 741.447 10 0 -4 3 5548.67 715.989 11 0 4 3 4557.09 795.266 14 0 -4 4 2636.49 576.309 11 0 -4 4 1687.96 440.039 10 0 4 4 1934.30 605.134 14 0 -4 5-251.892 462.268 11 0 -4 5-186.441 327.089 10 0 4 5 390.953 393.744 14 0 -4 6 4529.41 678.697 11 0 4 6 4158.79 796.460 14 0 4 7 2809.30 675.322 14 0 -4 7 3546.13 686.107 11 0 -4 8 2113.99 557.937 11 0 -4 -8 1831.68 550.143 10 0 4 8 1701.02 529.760 14 0 4 9 19765.9 1529.76 14 0 -4 9 21039.0 1321.55 11 0 -4 -9 17859.0 1269.92 10 0 4 10 6656.30 940.522 14 0 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16177.9 2194.47 3 2 -1 12 7647.69 1648.82 3 2 1 12 9096.79 1588.35 3 2 -1 13 816.078 704.847 3 2 1 13 1967.32 826.619 3 2 1 14 8922.93 1824.40 3 2 -1 14 8010.42 1985.42 3 2 1 14 8926.75 1141.70 8 2 -1 14 10527.5 1117.39 13 2 -1 14 8171.46 937.543 11 2 -1 15 8436.79 1102.00 13 2 1 15 7237.51 1055.71 8 2 1 15 7168.11 1763.46 3 2 -1 15 4746.98 1432.37 3 2 1 16 19720.9 1811.77 7 2 -1 16 20104.7 1591.87 13 2 1 17 30918.1 2217.80 7 2 -1 17 35517.0 2110.41 13 2 -1 18 1655.94 622.693 13 2 1 18 811.960 615.014 7 2 -1 19 5506.71 828.475 13 2 1 19 4396.02 860.850 7 2 -1 20 784.718 516.668 13 2 1 20 1393.76 562.695 7 2 1 21 1422.02 480.622 7 2 -1 21 652.359 389.563 13 2 1 22 105.038 261.675 7 2 -1 22-33.2196 272.811 13 -2 -2 22 548.787 299.781 13 -2 2 22 130.725 190.825 7 -2 -2 21 186.724 337.530 13 -2 2 21 30.7001 214.377 9 -2 2 21-323.447 275.832 7 -2 2 20 3449.52 616.386 7 -2 -2 20 3544.00 647.140 13 -2 2 20 4081.38 477.810 9 -2 2 19-13.7033 439.005 7 -2 -2 19 432.761 587.186 13 -2 2 18 1418.71 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10737.9 1208.15 4 2 2 7 10435.7 1312.36 3 2 -2 8 36600.1 3148.26 1 2 2 8 31767.1 2368.20 3 2 2 9 23110.4 2164.39 3 2 2 10 110756. 5068.83 3 2 -2 11 13021.7 1045.67 11 2 2 11 10820.0 1243.10 7 2 2 11 12170.7 1774.78 3 2 -2 11 12881.6 1250.76 13 2 -2 12 2002.55 663.454 13 2 -2 12 3727.52 659.740 11 2 2 12 3503.76 825.445 7 2 2 12 3531.58 898.571 14 2 2 12 4403.79 1273.80 3 2 2 13-235.596 491.244 7 2 -2 13 238.768 610.360 13 2 -2 13 348.272 488.599 11 2 2 13 374.251 732.166 3 2 2 13-577.389 613.689 14 2 2 14 587.712 636.041 14 2 -2 14-58.0649 544.621 13 2 2 14-107.024 406.625 7 2 -2 14-422.526 453.018 11 2 -2 15 414.207 419.436 11 2 -2 15-486.164 615.928 13 2 2 15 74.8985 529.111 7 2 2 16-644.679 580.616 7 2 -2 16 1525.80 772.565 13 2 2 17 321.206 448.266 7 2 -2 17 314.296 531.805 13 2 2 18 12774.5 1244.13 7 2 -2 18 14006.7 1251.82 13 2 2 19 17689.1 1367.10 7 2 -2 19 18431.5 1330.68 13 2 -2 20 8451.84 801.431 13 2 2 20 8309.96 829.914 7 2 -2 21 1560.00 382.196 13 2 2 21 1624.01 371.872 7 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1433.64 601.807 11 2 3 9 1596.58 708.432 14 2 -3 10 23679.9 1541.01 11 2 3 10 23954.6 1916.91 14 2 3 11 18864.2 1749.97 14 2 -3 11 19894.3 1360.50 11 2 -3 11 22669.1 1740.51 13 2 3 12 5850.29 940.567 14 2 -3 12 7551.21 906.318 11 2 -3 12 5201.42 898.878 13 2 -3 13 18195.9 1462.23 13 2 -3 13 20102.5 1363.04 11 2 3 13 18305.8 1609.94 14 2 3 14 4650.16 838.995 14 2 -3 14 5630.13 839.067 11 2 3 14 4916.50 789.590 7 2 -3 14 3615.32 751.138 13 2 3 15 11773.5 1142.07 14 2 -3 15 9161.73 1030.09 13 2 3 15 11381.3 1018.12 7 2 -3 15 13564.0 1060.79 11 2 3 16 2435.88 509.479 7 2 -3 16 1424.94 493.084 13 2 3 16 1855.85 512.012 14 2 3 17 8602.93 720.124 14 2 3 17 9937.59 800.656 7 2 -3 17 9784.82 827.187 13 2 3 18 638.167 250.205 7 2 -3 18 1592.68 377.444 13 -2 4 15 1227.32 252.621 14 -2 -4 15 1498.94 312.616 11 -2 -4 14 6684.91 622.203 11 -2 4 14 4547.60 557.078 14 -2 -4 13 953.170 389.730 11 -2 4 13 580.121 288.404 14 -2 4 12 383.578 366.342 14 -2 -4 12 351.696 375.777 11 -2 4 11 36923.0 1846.44 14 -2 -4 11 38418.9 1707.67 11 -2 4 10 14095.4 1234.66 14 2 -4 -10 12974.7 994.221 10 -2 -4 9 10740.9 1028.66 11 2 -4 -9 9288.19 912.889 10 -2 4 9 9845.83 1090.63 14 -2 4 8 2663.05 646.249 14 2 -4 -8 2898.29 583.356 10 -2 -4 8 2338.71 576.690 11 -2 4 7 3022.87 720.915 14 2 -4 -7 4033.20 672.717 10 -2 -4 7 4468.83 684.630 11 -2 -4 6 7505.65 872.157 11 2 -4 -6 8974.06 985.561 10 -2 4 6 8402.83 1054.11 14 -2 4 5 477.341 360.097 14 -2 -4 5 1223.25 473.364 11 2 -4 -5 1209.23 501.985 10 -2 -4 4 363.158 310.575 10 -2 -4 4 753.333 471.368 11 2 -4 -4 871.186 470.099 10 -2 4 4 1108.95 454.179 14 2 -4 -3-108.312 381.571 10 -2 4 3 36.4800 421.347 14 -2 -4 3 457.859 413.424 11 -2 -4 3 398.160 354.658 10 -2 -4 2 19998.6 1322.33 11 2 -4 -2 18803.3 1486.93 10 -2 -4 2 18513.9 1372.25 10 2 -4 -1 45256.8 2242.23 10 -2 -4 1 39222.8 2098.78 10 -2 -4 1 40628.5 1878.22 11 2 -4 0 16414.8 1393.75 10 2 -4 1 12014.2 1112.82 10 2 -4 2 2602.66 607.503 10 2 4 2 1733.58 548.988 14 2 4 3 2716.77 664.173 14 2 -4 3 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987.465 687.498 14 7 3 3 1909.11 893.868 4 7 -3 3 930.179 379.069 10 7 -3 3 1999.86 1123.79 1 7 3 4 565.243 665.376 4 7 3 4 232.396 672.477 14 7 -3 4 1166.86 927.506 1 7 -3 4 272.301 337.517 10 7 -3 4 1001.76 536.244 5 7 3 5 5944.39 1211.36 14 7 -3 5 7562.41 929.272 5 7 3 6 3640.29 966.632 14 7 -3 6 4118.94 689.211 11 7 3 7 1484.78 698.558 14 7 -3 7 2282.22 651.660 13 7 -3 7 1647.32 568.084 11 7 -3 7 2483.53 514.663 5 7 3 8 286.544 494.678 14 7 -3 8 54.1048 485.043 13 7 -3 8 145.354 467.301 11 7 -3 8 155.835 381.447 5 7 3 9 1333.83 628.315 14 7 -3 9 863.486 529.984 13 7 -3 9 1109.10 490.196 11 7 -3 10 1903.00 581.166 13 7 3 10 2269.49 745.692 14 7 3 11 182.455 587.239 14 7 -3 11-39.1685 413.570 13 7 -3 12 782.976 484.144 13 7 3 12 1316.15 632.649 14 7 3 13 2957.71 691.714 14 7 -3 13 3972.60 671.490 13 7 3 14 7.43204 391.160 14 7 -3 14 810.012 437.315 13 7 3 15 1418.96 404.753 14 7 -3 15 1620.98 441.181 13 7 -3 16 1575.40 356.628 13 7 -3 17 1381.83 293.871 13 -7 4 15 2296.38 266.726 14 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690.470 14 8 -3 10 1289.68 513.461 13 8 -3 11 764.158 393.073 13 8 3 11 1605.86 695.583 14 8 3 12 3809.64 861.617 14 8 -3 12 4241.25 732.673 13 8 3 13 205.543 380.660 14 8 -3 13-52.8952 384.436 13 8 -3 14 143.099 336.413 13 8 3 14 173.973 327.267 14 8 3 15 92.6681 232.510 14 8 -3 15 97.7701 270.402 13 8 -3 16 870.824 303.282 13 -8 4 14 4846.10 421.986 14 -8 -4 14 5014.51 416.552 11 -8 4 13 335.668 213.884 14 -8 -4 13 140.209 255.307 11 -8 4 12 5355.77 554.663 14 -8 -4 12 6398.22 627.125 11 -8 4 11 629.320 287.182 14 -8 -4 11 792.236 364.060 11 -8 4 10 5786.32 622.815 14 -8 -4 10 7241.91 834.285 11 -8 4 9 576.707 299.585 14 -8 -4 9 717.859 648.518 11 8 -4 -9 952.734 298.866 10 -8 4 8 2564.15 462.794 14 -8 -4 8 1302.39 524.244 11 8 -4 -8 1509.87 403.114 10 -8 4 7 507.375 300.150 14 -8 -4 7-244.960 532.824 11 8 -4 -7 580.991 317.197 10 -8 4 6 6269.07 739.099 14 -8 -4 6 6518.95 888.890 11 8 -4 -6 6199.14 736.143 10 -8 4 5 5599.61 677.719 14 -8 -4 5 7153.04 978.350 11 8 -4 -5 6221.52 749.413 10 -8 4 4 20697.7 1271.55 14 -8 -4 4 22179.6 1590.20 11 8 -4 -4 21786.6 1389.10 10 -8 4 3 8815.22 850.700 14 -8 -4 3 8477.44 1005.02 11 8 -4 -3 8743.22 917.053 10 -8 -4 2 14178.9 1228.25 11 8 -4 -2 14851.8 1185.40 10 -8 -4 1 16759.3 1360.10 11 8 -4 -1 18188.0 1337.56 10 -8 -4 0 6109.85 883.523 11 8 -4 0 6247.58 804.581 10 -8 -4 -1 7910.59 943.952 11 8 -4 1 10483.4 994.702 5 8 4 2 1554.66 717.695 14 -8 -4 -2 1624.01 561.800 11 8 -4 2 1178.99 497.880 5 -8 -4 -3 1113.31 505.530 11 8 -4 3 336.337 417.280 5 8 4 4 539.863 645.358 14 -8 -4 -4 256.845 462.404 11 8 -4 4 332.747 376.334 5 8 4 5 8306.32 1167.05 14 8 -4 5 10029.7 823.364 5 8 4 6 1278.70 655.219 14 8 -4 6 682.020 356.361 5 8 4 7 226.996 541.297 14 8 -4 7 827.173 341.336 5 8 4 8 2148.00 606.731 14 8 4 9 3438.22 597.419 14 8 4 10 6923.91 744.957 14 8 4 11 20880.4 1105.74 14 8 4 12 10247.0 668.101 14 8 -5 -3 795.740 189.114 5 8 -5 -2 2063.22 270.611 5 -9 0 23 42948.3 1289.89 9 -9 0 22-183.445 339.661 9 -9 0 21 9356.58 819.463 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485.829 6 9 0 10 1003.76 925.816 3 9 0 10 1578.59 1066.31 1 9 0 11 2318.21 649.022 6 9 0 11 4034.00 1457.09 3 9 0 12 1396.02 691.456 6 9 0 13 886.323 567.592 6 9 0 14 667.749 519.700 6 9 0 14 199.306 467.586 8 9 0 15 992.632 567.197 8 9 0 16-225.990 464.819 8 9 0 17 9552.32 985.314 8 9 0 18-119.361 305.789 8 9 0 19 23991.4 1320.72 7 9 0 20 40.5518 225.589 7 -9 -1 22 4778.69 518.853 9 -9 1 22 4650.99 483.665 9 -9 -1 21 1519.33 456.095 9 -9 1 21 1151.42 421.833 9 -9 -1 20-197.810 493.104 9 -9 1 20 463.983 427.518 9 -9 -1 19 510.454 490.174 9 -9 1 19 1297.98 551.386 9 -9 -1 18 1513.21 589.238 9 -9 1 18 2142.62 659.643 9 -9 1 18 1335.44 524.002 7 -9 1 17-66.2547 399.332 7 -9 -1 17 569.555 592.046 13 -9 -1 17 1352.15 656.476 9 -9 1 17 199.007 530.501 9 -9 -1 16 12340.9 1205.27 13 -9 -1 16 11879.8 1276.07 9 -9 1 16 13979.6 1338.47 7 -9 -1 15 19555.8 1553.48 13 -9 -1 15 23031.6 1599.60 9 -9 1 15 22586.6 1722.91 7 -9 -1 14 10299.7 1151.93 13 -9 -1 14 10714.6 1091.48 9 -9 1 14 11476.4 1314.83 7 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1 15 4750.52 815.462 8 10 -1 15 4352.73 677.280 8 10 -1 16 608.863 388.167 13 10 1 16 726.966 521.000 8 10 -1 16 58.9576 306.178 8 10 -1 17 24127.9 1212.59 13 10 1 17 25720.6 1503.27 8 10 1 18 13.6938 314.759 7 10 -1 18 609.073 306.127 13 10 1 19 11871.1 818.554 7 -10 2 21 2548.21 321.747 9 -10 2 20 520.534 316.126 9 -10 2 19 55.6411 301.501 9 -10 -2 18 1825.12 689.740 9 -10 2 18 574.090 360.246 9 -10 -2 17 2101.65 702.432 9 -10 2 17 2009.11 417.808 9 -10 -2 16 34905.0 2004.46 9 -10 2 16 33221.2 1580.23 9 -10 2 15 36535.7 1807.24 14 -10 -2 15 37905.7 2124.45 9 -10 2 14 14143.2 1144.68 14 -10 -2 14 11762.2 1314.98 9 -10 2 13 8556.52 915.499 14 -10 -2 13 8036.51 1066.48 9 -10 2 12 88.5637 366.440 14 -10 -2 12 225.896 590.636 9 -10 2 11 629.086 409.307 14 -10 -2 11 671.717 564.156 11 -10 -2 11 325.750 574.408 9 -10 2 10 34949.3 1866.59 14 -10 2 10 35758.5 2977.77 3 -10 -2 10 32552.3 3566.67 2 -10 -2 10 32861.6 1778.64 11 -10 -2 10 29309.7 1893.63 9 -10 2 9 47632.3 2199.63 14 -10 -2 9 45790.1 4129.75 2 -10 2 9 53543.5 3681.82 3 -10 -2 9 46623.2 2097.15 12 -10 -2 9 45608.2 2128.08 11 -10 -2 9 40866.7 2235.52 9 -10 2 8 683.127 406.841 14 -10 -2 8 2292.51 705.159 12 -10 -2 8 617.989 430.949 11 -10 -2 8 1193.69 886.357 2 -10 -2 8 1166.84 624.778 9 -10 2 7 13886.7 1185.04 14 -10 -2 7 13086.7 1292.36 12 -10 -2 7 12559.6 2043.63 2 -10 -2 7 12566.4 1290.02 9 -10 2 6 31778.6 1760.48 14 -10 -2 6 28658.5 2999.99 2 10 -2 -6 36115.7 3221.92 1 10 2 -6 31254.4 2556.19 4 -10 -2 5 36894.7 3201.69 2 10 -2 -5 37364.1 3217.67 1 10 2 -5 37119.6 2778.59 4 10 2 -4 8587.31 1409.14 4 10 -2 -4 11021.5 1689.83 1 -10 -2 4 10530.2 1713.11 2 10 -2 -3 405.168 622.284 1 10 2 -3-651.799 593.116 4 -10 -2 3 44.9660 563.067 2 10 2 -2 1627.64 717.641 4 -10 -2 2 1450.23 813.012 2 10 -2 -2 664.421 780.806 1 10 -2 -1 34201.4 2980.97 1 10 2 -1 34420.7 2862.16 4 10 -2 0 57319.5 4088.54 1 10 2 0 62887.4 3916.30 4 10 -2 1 14077.5 2040.01 1 10 2 1 14656.9 2029.15 4 10 2 2 8551.01 1643.25 4 10 -2 2 8927.62 1805.73 1 10 2 3-329.648 703.867 4 10 -2 3-272.595 683.981 1 10 -2 3 675.877 441.634 5 10 2 4 5331.50 1300.72 4 10 2 4 6041.39 1231.77 14 -10 -2 -4 6379.67 989.930 12 10 -2 4 4203.90 1325.46 1 10 -2 4 6607.17 811.613 5 10 2 5 2301.69 1241.92 4 10 2 5 2898.28 907.844 14 -10 -2 -5 2819.12 753.845 12 10 -2 5 2824.53 1098.75 1 10 -2 5 4124.29 665.260 5 10 2 6 9404.37 1916.95 4 10 2 6 10381.5 1458.57 14 10 -2 6 11263.2 1087.44 5 10 -2 6 10971.3 1956.28 1 10 2 7 6771.59 1531.91 4 10 2 7 7520.01 1365.82 14 10 -2 7 7104.68 918.647 5 10 -2 7 6447.50 1417.07 1 10 2 7 7559.73 1130.49 8 10 2 8 8955.20 1346.55 14 10 -2 8 11477.1 1075.85 5 10 2 8 9292.57 1226.27 8 10 2 9 3238.46 910.999 14 10 -2 9 3616.98 762.609 13 10 -2 9 3213.23 679.916 5 10 2 9 4293.45 830.711 8 10 2 10 12775.7 1577.51 14 10 -2 10 14199.6 1295.42 13 10 2 10 12781.1 1304.48 8 10 2 11 5208.25 995.169 14 10 -2 11 3963.20 781.977 13 10 2 11 4199.27 844.829 8 10 2 12 5974.08 1051.92 14 10 -2 12 5175.07 753.458 13 10 2 12 6580.53 875.938 8 10 2 13 621.768 473.414 14 10 -2 13 634.472 433.542 13 10 2 13 570.478 406.277 8 10 2 14-347.348 378.935 14 10 -2 14-38.1153 395.872 13 10 2 14-789.914 477.653 8 10 2 15 3148.01 646.715 7 10 -2 15 3525.05 571.509 13 10 2 16-590.595 338.868 7 10 -2 16-24.8979 291.178 13 10 2 17 3028.51 478.371 7 10 -2 17 3731.64 452.339 13 10 -3 -18 2762.90 343.393 6 -10 3 18 4308.09 364.301 9 -10 3 17 4815.63 439.456 9 -10 3 16 1331.45 327.334 14 -10 3 16 1740.22 354.442 9 -10 3 15 1356.31 339.251 14 -10 -3 15 1281.49 369.495 11 -10 3 14 4872.04 606.609 14 -10 -3 14 4387.11 575.573 11 -10 3 13 11391.6 935.987 14 -10 -3 13 10952.3 877.506 11 -10 3 12 1799.66 507.851 14 -10 -3 12 1182.67 430.211 11 -10 3 11 23738.8 1502.65 14 -10 -3 11 23209.0 1532.86 11 -10 3 10 9908.44 995.511 14 -10 -3 10 11514.2 1114.40 11 -10 3 9 55099.1 2367.27 14 -10 -3 9 55301.2 2471.50 11 -10 3 8 10085.2 1056.14 14 -10 -3 8 7739.28 987.709 12 -10 -3 8 9100.56 1129.28 11 10 -3 -8 9934.91 968.286 10 -10 3 7 36898.5 1931.57 14 10 -3 -7 35956.9 1886.82 6 -10 -3 7 34366.0 1963.17 12 -10 -3 7 37371.4 2115.33 11 10 -3 -7 35473.0 1844.84 10 -10 3 6 640.417 497.175 14 -10 -3 6 1074.29 643.306 12 -10 -3 6 196.311 538.642 11 10 -3 -6 405.497 338.275 10 -10 3 5 4820.82 757.536 14 -10 -3 5 5245.75 995.859 12 -10 -3 5 3767.62 828.164 11 10 -3 -5 4211.38 709.177 10 -10 3 4 17033.2 1248.76 14 -10 -3 4 14902.4 1414.93 12 10 -3 -4 16314.8 1325.99 10 -10 3 3 297.894 402.016 14 -10 -3 3 604.953 659.405 12 10 -3 -3 620.660 419.858 10 -10 3 2 5081.58 721.014 14 -10 -3 2 5734.19 965.880 12 10 -3 -2 4925.36 799.339 10 -10 3 1 5103.31 686.955 14 10 3 -1 7455.37 1407.91 14 -10 -3 1 4458.65 982.213 12 10 -3 -1 4612.35 764.035 10 10 3 0 17446.2 2076.93 14 10 -3 0 17286.6 1305.69 5 10 3 1 20339.4 2298.93 14 10 -3 1 24992.9 1543.16 5 10 3 2-842.891 786.347 14 10 -3 2 555.057 435.895 5 10 3 3 40236.0 3007.83 14 10 -3 3 43096.9 2013.33 5 10 3 4 913.618 824.128 14 10 -3 4 95.7952 466.796 5 10 3 5 10406.5 1517.85 14 10 -3 5 12972.6 1087.47 5 10 3 6 733.363 666.619 14 10 -3 6 646.193 491.136 5 10 -3 7 37222.5 1954.07 13 10 -3 7 37202.8 1796.36 5 10 3 8 2962.91 806.465 14 10 -3 8 3908.87 746.258 13 10 -3 8 4242.38 699.742 5 10 3 9 19716.8 1741.43 14 10 -3 9 22487.3 1460.62 13 10 -3 9 22315.1 1325.32 5 10 3 10 3457.59 807.760 14 10 -3 10 1471.11 497.042 13 10 3 11 309.193 432.256 14 10 -3 11-156.553 418.440 13 10 3 12 8820.37 993.284 14 10 -3 12 8619.96 802.865 13 10 3 13 1409.96 416.900 14 10 -3 13 1900.70 479.793 13 10 3 14 248.612 227.981 14 10 -3 14 662.527 309.522 13 10 -3 15 994.950 262.710 13 -10 4 13 1809.82 270.986 14 -10 -4 13 1477.61 238.379 11 -10 4 12 432.776 195.022 14 -10 -4 12 755.130 328.316 11 -10 4 11 1112.40 297.934 14 -10 -4 11 1504.13 394.581 11 -10 4 10-47.9784 225.978 14 -10 -4 10 90.4612 416.509 11 -10 4 9 517.062 294.288 14 -10 -4 9 136.117 369.271 11 10 -4 -9 549.800 319.598 5 -10 4 8 836.346 293.054 14 -10 -4 8 28.3420 469.201 11 10 -4 -8 876.046 399.514 5 -10 4 7 5087.90 578.633 14 -10 -4 7 4694.13 700.196 11 10 -4 -7 5935.84 665.748 5 -10 4 6 3450.44 494.239 14 -10 -4 6 2478.53 564.017 11 10 -4 -6 3357.14 492.129 5 -10 4 5 4933.21 586.587 14 -10 -4 5 4523.41 820.000 11 10 -4 -5 4889.78 626.515 5 -10 4 4 2809.53 484.834 14 -10 -4 4 3241.19 711.410 11 10 -4 -4 3783.30 587.862 5 -10 4 3 9531.84 789.754 14 -10 -4 3 9411.28 1056.86 11 10 -4 -3 10183.2 897.816 5 -10 -4 2 16287.8 1270.33 11 10 -4 -2 16848.1 1159.12 5 -10 -4 1 744.813 542.888 11 10 -4 -1 395.606 404.017 5 -10 -4 0 1255.76 556.736 11 10 -4 0 727.535 394.688 5 10 -4 1 9894.55 915.344 5 -10 -4 -1 9749.16 1001.76 11 10 4 2 698.249 684.243 14 -10 -4 -2 821.937 530.494 11 10 -4 2 1402.79 529.330 5 10 4 3 14029.8 1710.46 14 -10 -4 -3 12598.6 1167.18 11 10 -4 3 17285.7 1081.79 5 10 4 4 5071.19 1021.95 14 -10 -4 -4 4544.67 725.693 11 10 -4 4 4809.62 592.424 5 10 4 5 4212.59 867.403 14 -10 -4 -5 4513.44 619.634 11 10 -4 5 5943.32 625.414 5 10 4 6 6797.04 947.627 14 10 -4 6 6633.41 616.049 5 10 4 7 391.239 378.198 14 10 -4 7 426.088 241.381 5 10 4 8 3307.27 556.971 14 10 4 9 3390.91 496.260 14 10 4 10 5200.82 533.075 14 -11 0 22 419.325 314.956 9 -11 0 21 3481.39 545.487 9 -11 0 20-216.719 445.079 9 -11 0 19 16534.5 1281.05 9 -11 0 18 43.6592 555.250 9 -11 0 17 24153.9 1766.24 9 -11 0 16 1191.53 809.669 9 -11 0 15 88504.8 3284.08 9 -11 0 14-281.542 599.813 9 -11 0 13 112978. 6245.15 2 -11 0 13 131739. 3815.31 9 -11 0 12 776.780 845.078 2 -11 0 12 858.460 559.892 9 -11 0 11 204127. 8077.63 2 -11 0 11 220483. 4713.58 9 -11 0 10-54.4615 649.954 2 -11 0 9 92755.8 5021.59 2 -11 0 8 236.740 480.275 2 -11 0 7 9959.71 1669.21 2 -11 0 6-87.5132 560.348 2 -11 0 5 32319.3 2856.25 2 11 0 -5 30814.2 2641.33 1 11 0 -4-260.895 507.103 1 11 0 -3 11203.6 1410.15 4 11 0 -2 289.943 528.257 4 11 0 -1 10769.6 1372.99 4 11 0 0 119.557 531.791 4 11 0 7 8826.82 1160.10 6 11 0 8 166.857 460.303 6 11 0 8 1977.55 1147.29 1 11 0 9 11629.1 1250.90 6 11 0 9 14260.9 2310.96 3 11 0 9 15082.4 2338.47 1 11 0 10 931.429 624.964 6 11 0 10 111.289 872.284 3 11 0 10 1496.39 1107.28 1 11 0 11 29996.0 2007.14 6 11 0 12 681.510 595.312 6 11 0 13 10989.4 1331.91 6 11 0 14-818.858 535.230 6 11 0 14 270.610 480.248 8 11 0 15 4203.32 719.513 8 11 0 16-59.9293 343.177 8 11 0 17 10240.9 894.828 8 11 0 18 236.532 259.656 7 11 0 18 606.019 297.136 8 11 0 19 15321.7 806.380 7 -11 -1 22 2101.63 386.673 9 -11 1 22 1812.17 319.096 9 -11 -1 21 1122.53 386.619 9 -11 1 21 617.190 340.721 9 -11 -1 20 1326.40 589.026 9 -11 1 20 950.106 406.830 9 -11 -1 19 14052.2 1183.04 9 -11 1 19 13731.8 1034.49 9 -11 -1 18 1243.13 557.536 9 -11 1 18 244.869 475.519 9 -11 -1 17 1716.32 775.595 9 -11 1 17 2155.38 610.105 9 -11 -1 16 31206.2 2012.39 9 -11 1 16 35640.8 1890.34 9 -11 -1 15 252.676 606.140 9 -11 1 15 638.881 522.064 9 -11 -1 14 6689.37 979.068 9 -11 1 14 6804.04 872.881 9 -11 -1 13-72.8414 557.508 9 -11 1 13 279.090 450.899 9 -11 1 12 19.3570 411.309 14 -11 -1 12-27.1380 640.556 2 -11 -1 12-211.249 456.447 9 -11 1 12 71.8323 458.153 9 -11 1 11 1447.36 554.559 14 -11 -1 11 2068.76 938.674 2 -11 -1 11 245.089 431.318 9 -11 1 11 515.853 446.583 9 -11 1 10 35325.9 1900.18 14 -11 -1 10 30841.4 3273.06 2 -11 -1 10 30433.3 1675.70 9 -11 1 9 12275.5 1714.66 2 -11 -1 9 12070.4 2045.10 2 -11 1 8 338.125 691.589 2 -11 -1 8 672.215 739.041 2 -11 1 7 320.205 654.613 2 -11 -1 7-871.866 724.350 2 -11 -1 6 88458.4 5007.11 2 11 1 -6 93095.0 4042.42 4 -11 1 6 96257.1 4943.22 2 11 1 -5 2468.31 749.924 4 -11 -1 5 2108.88 946.431 2 11 -1 -5 598.748 426.941 1 11 1 -4 8190.54 1276.73 4 -11 -1 4 9406.62 1671.01 2 11 -1 -4 8685.50 1318.29 1 11 -1 -3 27422.0 2434.84 1 11 1 -3 25683.6 2287.38 4 -11 -1 3 28116.0 2875.25 2 11 -1 -2 15108.7 1942.98 1 11 1 -2 16061.7 1826.82 4 -11 -1 2 18510.0 2402.89 2 11 1 -1 5640.14 1204.82 4 11 -1 -1 4748.79 1220.33 1 -11 -1 1 5723.90 1433.37 2 11 -1 0 41301.9 3295.64 1 11 1 0 46232.8 3152.55 4 11 -1 1 755.140 685.326 1 11 1 1 1046.08 850.027 4 11 -1 2 8995.08 1720.71 1 11 1 2 9301.14 1516.19 4 11 1 3 5765.22 1385.39 4 11 -1 3 6283.77 1503.39 1 11 -1 4 34065.5 3269.89 1 11 1 4 36881.1 3042.47 4 11 -1 5 2809.67 1024.98 1 11 1 5 2853.45 914.373 4 11 -1 6 5406.99 1369.59 1 11 1 6 3876.79 1225.00 4 11 -1 6 4064.92 662.201 6 11 -1 6 5346.45 792.715 5 11 1 7 12578.7 1332.19 6 11 1 7 12042.0 1926.67 4 11 -1 7 13619.1 1351.67 6 11 -1 7 10723.4 1855.73 1 11 -1 7 11569.5 1154.36 5 11 1 8 11806.4 1294.42 6 11 -1 8 10856.5 1847.56 1 11 -1 8 9815.39 1162.46 6 11 1 9 184.770 554.572 14 11 1 9 1067.63 661.046 6 11 -1 9 1112.32 571.104 6 11 -1 9 697.884 657.030 1 11 1 10 30635.9 2442.14 14 11 1 10 34191.5 2294.51 6 11 -1 10 33162.6 2104.95 6 11 -1 10 32775.7 1758.87 13 11 1 11 2134.42 788.912 6 11 -1 11 2045.70 675.447 6 11 -1 11 2856.74 599.187 13 11 1 11 1695.52 700.415 14 11 1 12 515.203 628.661 6 11 -1 12 1067.65 569.320 6 11 -1 12-465.704 474.994 13 11 1 12 1009.17 638.705 8 11 -1 13 5654.98 975.366 6 11 -1 13 6289.46 759.438 13 11 1 13 8344.06 1190.91 8 11 -1 14 14634.3 1101.23 13 11 1 14 16394.8 1490.27 8 11 -1 15 2524.09 578.457 13 11 1 15 2694.68 737.590 8 11 -1 15 1932.80 515.715 8 11 -1 16 322.995 333.596 13 11 1 16-617.439 445.810 8 11 -1 16 347.896 321.523 8 11 -1 17 328.504 302.864 13 11 1 17-46.2692 352.501 8 11 1 18 3887.70 536.768 7 -11 2 20 3139.87 409.863 9 -11 2 19 18203.6 924.728 9 -11 -2 18 3536.10 771.862 9 -11 2 18 1563.56 392.628 9 -11 -2 17 12243.0 1233.77 9 -11 2 17 10651.1 820.641 9 -11 2 16 521.183 300.956 14 -11 -2 16 851.994 628.750 9 -11 2 16 463.951 358.519 9 -11 2 15 595.001 384.211 14 -11 -2 15 352.757 683.905 9 -11 2 15-338.763 435.213 9 -11 2 14 8266.57 850.458 14 -11 -2 14 7693.93 1051.75 9 -11 2 13 10901.1 1024.63 14 -11 -2 13 10217.1 1234.54 9 -11 2 12 23548.0 1499.33 14 -11 -2 12 18996.9 1611.91 9 -11 2 11-10.1285 370.859 14 -11 -2 11 510.075 583.040 9 -11 2 10 10593.5 1052.42 14 -11 -2 10 10840.6 1067.91 12 -11 -2 10 10099.5 1016.23 11 -11 -2 10 9439.15 1207.83 9 -11 2 9 44439.5 2169.67 14 -11 -2 9 45153.4 4237.54 2 -11 2 9 52587.0 3792.08 3 -11 -2 9 44104.0 2077.47 12 -11 -2 9 43577.6 2135.78 11 -11 -2 9 40114.3 2266.70 9 -11 2 8 42653.8 2113.31 14 -11 -2 8 41098.2 3905.17 2 -11 -2 8 42168.2 2099.83 12 -11 -2 8 40406.9 2055.11 11 -11 -2 8 39193.0 2069.96 9 -11 2 7 53572.4 2352.09 14 -11 -2 7 51298.8 4234.14 2 -11 -2 7 46110.3 2306.16 12 -11 -2 7 46878.9 2304.48 9 -11 2 6 36332.4 1908.30 14 -11 -2 6 36594.7 3497.37 2 -11 -2 6 38069.6 2072.84 12 -11 -2 6 28646.3 1891.70 9 11 2 -6 35237.3 2940.84 4 -11 2 5 774.436 492.857 14 11 2 -5 865.116 780.516 4 11 -2 -5 234.047 753.879 1 -11 -2 5 352.731 493.283 12 -11 -2 5-893.751 833.986 2 -11 2 4 8220.91 913.302 14 11 2 -4 6670.48 1363.88 4 11 -2 -4 7770.77 1559.42 1 -11 -2 4 8138.00 968.238 12 -11 -2 4 7016.37 1547.03 2 11 -2 -4 8381.00 885.901 6 -11 2 3 9773.16 986.260 14 11 2 -3 9256.42 1539.62 4 -11 -2 3 9294.46 980.701 12 -11 -2 3 9138.76 1581.40 2 11 -2 -3 9178.24 994.055 6 11 -2 -3 10325.2 958.715 5 11 -2 -3 9040.17 1695.03 1 -11 2 2 4029.59 634.420 14 11 2 -2 3624.07 1110.62 4 -11 -2 2 4585.43 753.857 12 11 -2 -2 4915.79 677.828 5 11 -2 -2 3867.98 1045.35 1 -11 2 1 851.241 409.262 14 11 2 -1 2189.55 990.504 4 -11 -2 1 324.555 467.177 12 11 -2 -1 1264.61 511.830 5 11 -2 -1 1680.02 934.314 1 11 -2 0 19076.1 2442.49 1 -11 -2 0 19173.2 1464.15 12 -11 2 0 20673.0 1359.47 14 11 -2 0 20669.0 1333.17 5 11 2 0 18979.8 2264.63 4 11 2 1 2306.29 918.256 4 -11 -2 -1 2850.84 709.770 12 11 -2 1 4133.95 802.012 6 11 -2 1 2835.14 924.759 1 11 -2 1 3568.35 715.615 5 11 -2 2 44726.1 2167.69 6 11 -2 2 43714.2 3978.45 1 -11 -2 -2 44789.0 2290.27 12 11 -2 2 44615.7 1992.79 5 11 2 2 47289.7 3693.23 4 11 -2 3 23323.5 1564.11 6 11 -2 3 19734.9 2861.93 1 -11 -2 -3 21078.6 1656.82 12 11 -2 3 20969.8 1369.61 5 11 2 3 20307.8 2511.41 4 11 2 4 12918.8 1654.20 14 11 2 4 11063.2 1844.25 4 -11 -2 -4 11242.4 1285.54 12 11 -2 4 13066.4 1254.40 6 11 -2 4 13135.3 1114.28 5 11 -2 4 13124.9 2255.25 1 11 2 5 2364.78 1057.53 4 11 2 5 1121.49 665.354 14 -11 -2 -5 1675.77 740.785 12 11 -2 5 1345.81 742.306 1 11 -2 5 1616.34 528.040 5 11 2 6-435.636 549.893 14 11 -2 6-211.163 403.184 5 11 2 7 3625.29 988.914 14 11 -2 7 3841.16 693.422 5 11 2 7 4265.89 896.889 8 11 2 8 4121.18 1080.53 14 11 -2 8 3699.43 737.483 5 11 2 8 4676.65 921.825 8 11 2 9 2796.11 931.214 14 11 -2 9 4238.58 817.568 13 11 -2 9 2975.84 587.339 5 11 2 9 2722.49 759.581 8 11 -2 10 1118.04 523.914 13 11 2 10 1183.92 712.141 14 11 2 10 641.515 535.961 8 11 2 11 18297.5 1708.38 14 11 -2 11 15776.0 1232.76 13 11 2 11 15848.0 1330.59 8 11 2 12 9966.64 1200.84 14 11 -2 12 8617.03 942.527 13 11 2 12 10201.5 1066.88 8 11 2 13 9279.60 1028.51 14 11 -2 13 9011.50 923.807 13 11 2 13 10118.9 1009.54 8 11 2 14 426.835 329.984 7 11 -2 14 156.621 425.496 13 11 2 15 203.950 295.953 7 11 -2 15-166.833 338.626 13 11 2 16 103.188 276.939 7 11 -2 16-289.802 278.458 13 11 -2 17 4194.59 411.163 13 11 -3 -17 9727.02 628.471 6 -11 3 17 10125.3 529.010 9 -11 3 16 21528.8 877.983 9 -11 3 15 12595.9 823.003 14 -11 3 15 11962.4 711.051 9 -11 3 14 6443.15 659.269 14 -11 -3 14 6804.13 688.066 11 -11 3 14 6486.86 569.507 9 -11 3 13 7257.17 770.360 14 -11 -3 13 6809.42 680.114 11 -11 3 12 3328.79 613.398 14 -11 -3 12 2164.62 665.668 11 -11 3 11 1109.67 455.480 14 -11 -3 11-488.709 487.752 11 -11 3 10 254.698 391.143 14 -11 -3 10 594.258 674.389 11 -11 3 9 13139.2 1156.98 14 11 -3 -9 12685.0 1101.50 6 -11 -3 9 12716.9 1204.29 11 -11 3 8 21707.6 1475.33 14 11 -3 -8 23066.1 1494.47 6 -11 -3 8 20547.2 1483.27 12 -11 -3 8 22161.3 1580.30 11 -11 3 7 10581.6 1036.23 14 -11 -3 7 10248.4 1191.50 12 11 -3 -7 10314.7 1010.14 6 -11 -3 7 11389.7 1253.39 11 -11 3 6 35918.0 1907.92 14 11 -3 -6 37604.8 1888.74 6 -11 -3 6 38017.3 2161.25 12 -11 -3 6 37428.8 2152.43 11 -11 3 5 2034.85 590.643 14 -11 -3 5 2851.57 976.135 12 -11 -3 5 568.498 630.360 11 -11 3 4 54660.4 2277.11 14 -11 -3 4 56333.9 2749.24 12 -11 3 3 5140.09 710.537 14 -11 -3 3 7573.72 1497.81 12 11 -3 -3 6594.33 862.191 5 -11 3 2 46277.8 2090.09 14 -11 -3 2 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1 102456. 5512.76 1 12 1 1 106716. 5008.34 4 12 -1 2 14709.6 2156.43 1 12 1 2 14429.4 1929.25 4 12 -1 3 47967.2 3894.33 1 12 1 3 52860.8 3669.86 4 12 -1 4 7628.76 1698.65 1 12 1 4 7873.09 1654.91 4 12 -1 4 8359.22 1038.56 6 12 -1 4 8607.80 963.039 5 12 -1 5 1097.09 723.016 1 12 1 5 315.761 577.678 4 12 1 5 1371.24 757.044 6 12 -1 5 45.4759 580.218 6 12 -1 5 412.818 442.303 5 12 1 6 2369.50 1058.94 4 12 1 6 3343.45 741.426 6 12 -1 6 956.872 534.814 6 12 -1 6 1381.81 870.887 1 12 -1 6 3064.92 682.127 5 12 1 7 1470.93 917.179 4 12 -1 7 1851.27 952.496 1 12 1 7 1654.37 698.350 6 12 -1 7 1982.80 776.312 6 12 1 8 6354.28 1008.86 6 12 -1 8 5692.19 967.953 6 12 1 9 2684.69 848.384 14 12 1 9 1665.84 634.896 6 12 -1 9 2679.94 676.592 6 12 -1 9 2904.40 615.035 13 12 1 10 6184.85 1109.25 14 12 1 10 6440.37 1073.44 6 12 -1 10 4936.28 795.726 6 12 -1 10 5968.36 856.015 13 12 1 11 27483.1 1998.61 14 12 1 11 27593.7 2112.15 6 12 -1 11 28081.1 1862.00 6 12 -1 11 28091.6 1605.40 13 12 1 11 31487.9 2031.48 8 12 1 12 2610.65 764.941 6 12 -1 12 3013.94 726.264 6 12 -1 12 1698.45 495.050 13 12 1 12 2678.29 713.785 8 12 -1 13 5436.73 908.129 6 12 -1 13 5707.42 691.513 13 12 1 13 6545.96 996.422 8 12 -1 14 8853.78 1026.54 6 12 -1 14 10613.5 938.220 13 12 1 14 12300.9 1220.63 8 12 -1 15 2000.13 469.963 13 12 1 15 2624.38 642.900 8 12 -1 15 2982.44 550.989 8 12 -1 16 323.866 301.681 13 12 1 16-55.9858 345.403 8 12 -1 16-158.437 241.160 8 12 1 17 5114.18 653.199 7 12 1 18 487.702 250.560 7 12 -2 -20-657.684 347.495 6 -12 2 20-44.6957 208.843 9 -12 2 19 45.8299 265.124 9 -12 2 18 14693.4 844.524 9 -12 -2 17 3025.80 767.867 9 -12 2 17 2267.02 458.206 9 -12 -2 16 47746.8 2364.94 9 -12 2 16 42900.0 1628.96 9 -12 2 15 126.685 258.174 14 -12 -2 15 542.908 628.671 9 -12 2 15 373.914 345.890 9 -12 2 14 2711.44 526.231 14 -12 -2 14 2818.90 846.443 9 -12 2 14 2122.60 431.011 9 -12 2 13 21305.8 1426.55 14 -12 -2 13 20981.9 1628.76 9 -12 2 13 21106.5 1169.42 9 -12 2 12 1181.32 457.495 14 -12 -2 12 1745.56 671.796 9 -12 2 11 2380.01 583.547 14 -12 -2 11 1061.32 686.231 9 -12 2 10 3504.27 660.052 14 -12 -2 10 2615.72 631.039 12 -12 -2 10 2547.59 734.593 9 -12 2 9 1532.62 515.694 14 -12 -2 9 1224.13 593.500 12 -12 -2 9 1716.88 583.029 11 -12 -2 9 2650.32 819.863 9 -12 2 8 1614.06 514.890 14 -12 -2 8 956.702 617.177 12 -12 -2 8 1203.78 614.749 11 -12 -2 8 1939.62 852.064 9 -12 2 7 27518.9 1723.88 14 -12 -2 7 27067.0 3236.77 2 -12 -2 7 26098.8 1686.94 12 -12 -2 7 24611.0 1804.92 9 -12 2 6 21665.9 1506.83 14 -12 -2 6 19855.5 2713.50 2 -12 -2 6 21828.2 1599.83 12 -12 2 5 2077.16 553.774 14 12 2 -5 364.229 647.477 4 12 -2 -5 310.750 664.294 1 -12 -2 5 807.306 512.967 12 12 -2 -5 834.294 590.853 6 -12 -2 5 2094.75 1102.69 2 12 -2 -5 1506.94 471.292 5 -12 2 4 1983.07 567.292 14 12 2 -4 942.490 684.901 4 12 -2 -4 2209.64 972.102 1 -12 -2 4 2941.97 647.362 12 -12 -2 4 3447.49 1163.71 2 12 -2 -4 2646.18 635.748 6 12 -2 -4 3006.77 556.868 5 -12 2 3 3577.49 680.341 14 12 2 -3 2949.75 1122.81 4 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15952.0 1371.24 6 -12 -2 -4 16381.8 1434.67 12 12 -2 4 15442.3 1279.08 5 12 2 5 9932.94 1407.90 14 12 -2 5 8681.29 1035.75 6 12 -2 5 8098.37 968.287 5 12 2 6 1046.98 663.321 14 12 -2 6 1546.64 710.830 6 12 -2 6 1611.17 526.152 5 12 2 7 17718.5 1873.58 14 12 -2 7 17599.7 1528.91 6 12 -2 7 18170.3 1390.73 5 12 2 8 28589.2 2306.30 14 12 -2 8 26106.3 1715.14 5 12 2 8 31619.5 1989.12 8 12 2 9 8097.12 1264.05 14 12 -2 9 8222.74 949.126 13 12 2 9 7363.57 978.728 8 12 2 10 6210.27 1079.98 14 12 -2 10 7745.97 904.013 13 12 2 10 7908.74 1026.08 8 12 2 11-139.173 476.791 14 12 -2 11 73.7879 394.369 13 12 2 11 234.897 443.837 8 12 2 12 3413.84 773.201 14 12 -2 12 3147.15 560.670 13 12 2 12 3877.81 628.139 8 12 2 13 1174.29 432.184 14 12 -2 13 489.844 350.910 13 12 2 13 1917.43 591.067 8 12 2 14 1907.09 464.056 7 12 -2 14 1708.03 450.583 13 12 2 15 18.6881 255.525 7 12 -2 15-60.4657 271.598 13 12 -2 16 1958.02 324.240 13 12 -3 -16 794.020 239.227 6 12 -3 -15 30201.0 1294.57 6 -12 3 14 11183.2 812.935 14 12 -3 -14 11015.5 844.373 6 -12 3 13 16973.0 1051.26 14 12 -3 -13 16321.9 1054.25 6 -12 -3 13 16219.9 993.148 11 -12 3 12-60.2331 253.133 14 12 -3 -12-294.691 465.018 6 -12 -3 12-209.559 360.577 11 -12 3 11 16456.3 1158.41 14 12 -3 -11 17676.1 1199.29 6 -12 -3 11 14573.1 1042.66 11 -12 3 10 3968.68 634.078 14 12 -3 -10 3312.07 585.077 6 -12 -3 10 2063.64 474.333 11 -12 3 9 25320.2 1517.90 14 12 -3 -9 25911.8 1574.14 6 -12 -3 9 24993.4 1546.06 11 -12 3 8 13429.8 1128.02 14 12 -3 -8 13203.2 1147.51 6 -12 -3 8 11305.3 1175.20 12 -12 -3 8 14140.7 1272.05 11 12 -3 -8 14049.4 969.254 5 -12 3 7 569.966 447.006 14 -12 -3 7-30.0968 509.315 12 12 -3 -7 306.083 410.915 6 -12 -3 7 715.774 631.354 11 12 -3 -7-206.589 345.525 5 -12 3 6 661.044 458.882 14 -12 -3 6 275.026 683.924 12 12 -3 -6 1074.12 481.712 6 -12 -3 6 470.108 534.336 11 12 -3 -6 865.749 455.067 5 -12 3 5 17136.0 1288.87 14 12 -3 -5 17636.7 1322.56 6 -12 -3 5 18335.9 1635.51 12 -12 -3 5 17505.4 1537.72 11 12 -3 -5 17695.6 1224.80 5 -12 3 4 4388.64 659.975 14 -12 -3 4 5269.07 1021.96 12 12 -3 -4 3824.48 684.580 5 -12 3 3 26244.7 1543.93 14 -12 -3 3 27065.6 1847.31 12 12 -3 -3 26697.5 1520.21 5 -12 3 2 411.855 292.867 14 -12 -3 2 1379.44 1008.70 12 12 -3 -2 930.842 564.268 5 12 3 -1 58651.6 3886.23 14 12 -3 -1 61397.6 2404.63 5 12 3 0 1963.89 1217.22 14 12 -3 0 2001.30 628.462 5 12 3 1 56742.5 3859.15 14 12 -3 1 47035.8 2119.74 5 12 3 2 3936.73 1206.23 14 12 -3 2 4691.43 783.541 5 12 3 3 23445.3 2300.36 14 12 -3 3 22552.2 1449.74 5 12 3 4 6059.35 1192.38 14 12 -3 4 6253.07 790.324 5 12 3 5 1173.69 752.776 14 12 -3 5 2199.62 543.272 5 12 3 6 3981.47 968.473 14 12 -3 6 5168.29 726.563 5 12 3 7 306.515 485.028 14 12 -3 7 1159.59 468.256 13 12 -3 7 1035.50 468.872 5 12 3 8 7105.07 974.908 14 12 -3 8 7666.98 838.873 13 12 -3 8 7518.90 807.297 5 12 3 9 512.142 400.486 14 12 -3 9 941.542 374.035 13 12 3 10 5658.05 806.570 14 12 -3 10 5562.82 690.888 13 12 3 11 19458.9 1306.65 14 12 -3 11 22072.4 1183.40 13 12 3 12 8289.39 757.374 14 12 -3 12 9991.46 769.471 13 12 -3 13 18131.0 866.186 13 -12 -4 11 1369.77 322.859 11 -12 -4 10 31.6381 265.088 11 -12 -4 9 2275.30 403.986 11 -12 -4 8 1858.14 417.101 11 12 -4 -8 2177.40 347.207 5 -12 -4 7 1094.71 409.156 11 12 -4 -7 1496.95 345.141 5 -12 -4 6 2436.39 526.419 11 12 -4 -6 3091.23 425.013 5 -12 -4 5-361.767 414.954 11 12 -4 -5-315.667 294.291 5 -12 -4 4 2851.24 590.584 11 12 -4 -4 2814.97 501.811 5 -12 -4 3 503.065 434.151 11 12 -4 -3 120.211 308.070 5 -12 -4 2 120.990 448.597 11 12 -4 -2-280.115 339.231 5 -12 -4 1 10355.3 939.215 11 12 -4 -1 12194.4 881.624 5 -12 -4 0 2973.06 578.556 11 12 -4 0 2597.60 509.402 5 12 -4 1 8139.75 749.778 5 -12 -4 -1 6576.16 725.818 11 12 4 2 803.129 436.996 14 -12 -4 -2 100.736 349.491 11 12 -4 2 437.212 337.088 5 12 4 3 1162.00 472.925 14 -12 -4 -3 2186.57 450.310 11 12 -4 3 1708.33 422.176 5 12 4 4 999.861 453.907 14 -12 -4 -4 610.772 336.418 11 12 -4 4 368.170 302.738 5 12 4 5 25.9433 369.841 14 -12 -4 -5 428.840 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1257.23 6 19 2 4 427.613 417.721 14 19 -2 4 175.064 296.848 6 19 -2 4 704.804 308.840 13 19 -2 5 2416.40 432.739 6 19 -2 5 2981.07 396.726 13 19 2 6 62.2154 269.300 14 19 -2 6-251.578 210.797 13 19 2 7 241.626 227.811 14 -20 0 14 35490.0 1262.21 12 -20 0 13 548.829 397.054 12 -20 0 12-333.471 378.575 12 -20 0 11 651.553 464.019 12 -20 0 10 5321.09 723.768 12 -20 0 9 1008.67 471.361 12 20 0 -8-353.786 364.696 6 -20 0 8 1177.38 528.388 12 20 0 -7 34.9403 468.343 6 -20 0 7 1312.66 600.934 12 20 0 -6 12488.6 1075.17 6 -20 0 6 14378.5 1157.80 12 20 0 -5-635.177 517.853 6 -20 0 5 825.523 626.136 12 20 0 -4 31974.0 1806.20 6 -20 0 4 37513.1 1805.87 12 20 0 -3-396.810 436.601 6 -20 0 3 540.315 499.529 12 -20 0 2 9499.09 927.580 12 20 0 -2 5954.29 893.471 6 20 0 -1 1099.71 630.481 6 20 0 0 32152.8 1873.91 6 20 0 1 390.418 584.753 6 20 0 2 14071.2 1209.19 6 20 0 3 333.448 477.031 6 20 0 4 12636.6 1070.54 6 20 0 5 315.635 365.961 6 20 0 6 8211.99 811.074 14 20 0 6 8307.78 810.785 6 20 0 7 558.937 370.632 6 20 0 8 2199.56 419.530 6 20 0 8 2632.59 387.760 8 -20 1 14 923.371 294.668 12 20 -1 -13 13125.7 753.371 6 -20 -1 13 15042.2 888.525 12 -20 1 13 12478.2 706.567 12 -20 -1 12 429.045 386.368 12 20 -1 -12 955.070 382.018 6 -20 -1 11 322.821 389.288 12 20 -1 -11 199.186 395.631 6 -20 -1 10 4897.83 680.517 12 20 -1 -10 4754.52 672.862 6 20 -1 -9 9524.11 877.878 6 -20 -1 9 9464.96 872.746 12 -20 -1 8 2056.92 552.977 12 20 -1 -8 2668.49 610.735 6 20 -1 -7 17953.4 1286.76 6 -20 -1 7 20123.4 1275.89 12 -20 -1 6 8053.99 878.160 12 20 -1 -6 6015.83 839.520 6 -20 -1 5 4983.88 747.939 12 20 -1 -5 4992.18 818.379 6 -20 1 5 5210.09 748.074 12 20 -1 -4 12774.8 1193.78 6 -20 -1 4 13881.3 1132.72 12 -20 1 4 14894.2 1013.18 12 20 -1 -3 14999.4 1274.42 6 -20 -1 3 17236.7 1208.80 12 20 -1 -2 5196.65 826.513 6 -20 -1 2 7398.56 865.373 12 20 -1 -1 2323.14 516.857 6 -20 -1 1 4201.73 650.590 12 20 -1 0 668.048 518.238 6 20 -1 1 17984.5 1448.13 6 20 -1 2 1754.25 606.601 6 20 1 3 14964.5 1397.96 14 20 -1 3 14396.9 1152.52 6 20 1 4 1039.21 519.927 14 20 -1 4 1280.82 479.904 6 20 1 5 641.096 382.470 14 20 -1 5 747.613 406.861 6 20 1 6 3367.07 523.636 14 20 -1 6 3406.05 530.913 6 20 -1 7 1388.41 346.381 6 20 -2 -11 249.212 204.785 6 -20 -2 10 2010.51 444.224 12 20 -2 -10 1265.20 318.779 6 20 -2 -9 9918.27 734.764 6 -20 -2 9 10683.2 826.496 12 -20 -2 8 875.208 391.361 12 20 -2 -8 1118.12 384.333 6 -20 -2 7 1021.65 428.461 12 20 -2 -7 747.428 428.057 6 20 -2 -6 24998.6 1266.65 6 -20 -2 6 27640.7 1359.90 12 20 -2 -5 13745.5 995.117 6 -20 -2 5 13387.2 990.737 12 20 2 -4 5460.65 654.079 14 -20 -2 4 5831.23 691.192 12 20 -2 -4 5728.14 671.761 6 20 2 -3 957.865 414.134 14 -20 -2 3 1081.24 424.883 12 20 -2 -3 987.733 336.618 6 20 2 -2-53.9159 385.641 14 -20 -2 2 110.524 363.543 12 20 -2 -2-473.412 467.259 6 20 2 -1 3934.40 740.870 14 20 -2 -1 3774.94 613.013 6 20 2 0 2554.47 644.597 14 20 -2 0 2534.22 520.088 6 20 2 1 14927.9 1272.01 14 20 -2 1 11284.5 881.009 6 20 2 2 307.961 389.897 14 20 -2 2 158.545 249.369 6 20 2 3 527.024 403.870 14 20 -2 3 590.090 272.734 6 20 -2 3 212.704 216.020 13 20 2 4 12892.1 945.207 14 -21 0 13 31502.9 1067.33 12 -21 0 12 324.454 279.612 12 -21 0 11 6787.45 656.162 12 -21 0 10 305.181 340.842 12 -21 0 9 25615.4 1227.31 12 -21 0 8 775.919 443.462 12 -21 0 7 8196.81 810.732 12 21 0 -7 6042.66 697.953 6 21 0 -6-778.063 361.810 6 -21 0 6 626.427 466.107 12 21 0 -5 8647.98 862.146 6 -21 0 5 11698.1 886.900 12 21 0 -4 1945.56 762.516 6 -21 0 4-291.042 388.612 12 21 0 -3 25406.6 1550.08 6 -21 0 3 31824.7 1425.39 12 21 0 -2 858.176 582.064 6 21 0 -1 26920.3 1573.66 6 21 0 0 417.040 392.851 6 21 0 1 12614.2 1063.56 6 21 0 2 283.293 348.265 6 21 0 3 6970.14 747.005 6 21 0 4-548.654 367.836 6 21 0 5 216.083 266.518 14 21 0 5 816.519 333.177 6 21 0 6 468.049 234.391 6 -21 1 12 7481.04 499.670 12 -21 -1 11 829.075 353.406 12 21 -1 -11 680.386 301.499 6 -21 1 11 1617.18 351.963 12 -21 -1 10 490.114 344.082 12 21 -1 -10-380.687 273.883 6 -21 1 10 224.259 290.787 12 -21 -1 9 2204.53 466.358 12 21 -1 -9 2085.59 415.104 6 -21 1 9 2813.56 472.877 12 -21 -1 8-175.630 329.957 12 21 -1 -8 779.830 416.945 6 -21 1 8 1025.91 414.104 12 21 -1 -7-480.136 369.202 6 -21 -1 7-352.598 393.517 12 21 -1 -6 15372.9 1101.56 6 -21 -1 6 16903.0 1075.30 12 -21 1 6 16275.3 929.576 12 21 -1 -5 2241.46 566.372 6 -21 -1 5 2628.50 542.794 12 -21 1 5 2572.54 456.163 12 21 -1 -4 300.463 417.169 6 -21 -1 4 705.563 430.088 12 21 -1 -3 369.695 472.550 6 -21 -1 3 1006.79 407.275 12 21 -1 -2 190.498 378.983 6 -21 -1 2 1264.41 432.750 12 21 -1 -1 5119.12 751.463 6 21 -1 0 5869.48 779.994 6 21 1 1 3331.51 729.841 14 21 -1 1 2443.68 551.757 6 21 1 2 2688.87 632.269 14 21 -1 2 1231.03 387.660 6 21 1 3 4419.56 670.642 14 21 -1 3 3223.50 518.145 6 21 1 4 20350.4 1189.35 14 21 -1 4 19969.9 1064.51 6 21 1 5 194.439 246.726 14 21 -1 5 61.7887 211.991 6 -21 -2 7 2762.55 428.827 12 21 -2 -7 2004.67 306.593 6 -21 -2 6 2115.53 405.466 12 21 -2 -6 698.306 236.503 6 21 -2 -5 776.976 290.654 6 21 -2 -4 769.540 340.803 6 21 -2 -3 2531.27 437.049 6 21 -2 -2 725.118 283.431 6 21 2 -1 144.713 288.896 14 21 -2 -1 71.9670 250.919 6 21 2 0 3533.49 507.849 14 -22 0 11 582.147 240.773 12 -22 0 10 9031.79 592.990 12 -22 0 9 362.717 292.482 12 -22 0 8 37406.9 1331.39 12 -22 0 7 521.521 392.827 12 -22 0 6 36309.2 1327.31 12 -22 0 5 167.929 285.085 12 22 0 -4 487.441 310.003 6 -22 0 4-129.824 329.727 12 22 0 -3 384.646 323.053 6 22 0 -2 1251.78 386.967 6 22 0 -1 575.993 308.234 6 22 0 0 135.671 319.572 6 22 0 1 101.744 259.910 6 22 0 2 10622.0 738.137 6 -22 -1 9 986.907 257.943 12 -22 -1 8 325.523 273.583 12 22 -1 -7 1568.42 333.829 6 -22 -1 7 2763.87 441.712 12 22 -1 -6 1359.91 388.299 6 -22 -1 6 2374.61 429.805 12 22 1 -5 3827.83 565.787 14 22 -1 -5 4873.89 599.893 6 -22 -1 5 4817.70 521.982 12 22 -1 -4 1197.20 463.064 6 -22 -1 4 437.245 316.712 12 22 1 -3 11219.7 991.689 14 22 -1 -3 9901.59 804.165 6 -22 -1 3 8116.28 632.180 12 22 1 -2 1137.71 445.738 14 22 -1 -2 569.712 351.188 6 22 1 -1 376.873 322.909 14 22 -1 -1 571.658 314.688 6 22 1 0 1444.62 408.085 14 22 -1 0 1505.79 357.828 6 22 1 1 1734.34 426.299 14 22 -1 1 2306.95 363.248 6 22 1 2 3087.10 465.122 14 22 -1 2 2798.55 380.435 6 0 0 0 0.00 0.00 0 TITL absorb in P2(1)/n REM P2(1)/n (#14 in standard setting) CELL 1.54184 18.382980 4.252080 19.303130 90.0000 98.6046 90.0000 ZERR 4.00 0.001214 0.000246 0.001028 0.0000 0.0057 0.0000 LATT 1 SYMM -x+1/2, y+1/2,-z+1/2 SFAC C H N F S Cu UNIT 36.00 52.00 24.00 12.00 8.00 4.00 TREF HKLF 4 END ; _shelx_hkl_checksum 90279 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 C1 C 0.7091(3) 0.1394(14) 0.0898(2) 0.0514(13) Uani 1 1 d . . H1A H 0.6705 0.0268 0.0589 0.077 Uiso 1 1 calc R U H1B H 0.7574 0.0614 0.0822 0.077 Uiso 1 1 calc R U H1C H 0.7056 0.3649 0.0793 0.077 Uiso 1 1 calc R U C2 C 0.6466(2) 0.2267(9) 0.19168(19) 0.0266(7) Uani 1 1 d . . C3 C 0.4971(2) 0.7204(9) 0.15772(19) 0.0263(7) Uani 1 1 d . . C4 C 0.45126(19) 0.8592(8) 0.20646(18) 0.0229(7) Uani 1 1 d . . C5 C 0.46288(19) 0.7894(8) 0.38465(18) 0.0214(6) Uani 1 1 d . . C6 C 0.3660(2) 1.0825(9) 0.4323(2) 0.0270(7) Uani 1 1 d . . H6A H 0.3669 1.2184 0.3907 0.032 Uiso 1 1 calc R U H6B H 0.3698 1.2200 0.4740 0.032 Uiso 1 1 calc R U C7 C 0.2947(2) 0.9087(10) 0.4245(2) 0.0329(8) Uani 1 1 d . . C8 C 0.4834(2) 0.7848(10) 0.0811(2) 0.0351(9) Uani 1 1 d . . H8A H 0.5176 0.6613 0.0578 0.053 Uiso 1 1 calc R U H8B H 0.4907 1.0092 0.0729 0.053 Uiso 1 1 calc R U H8C H 0.4327 0.7263 0.0623 0.053 Uiso 1 1 calc R U C9 C 0.3846(2) 1.0547(9) 0.18280(19) 0.0287(8) Uani 1 1 d . . H9A H 0.3407 0.9210 0.1777 0.043 Uiso 1 1 calc R U H9B H 0.3891 1.1523 0.1376 0.043 Uiso 1 1 calc R U H9C H 0.3803 1.2191 0.2176 0.043 Uiso 1 1 calc R U Cu1 Cu 0.55986(3) 0.51993(12) 0.29100(2) 0.02130(16) Uani 1 1 d . . F1 F 0.29008(15) 0.7217(6) 0.48011(15) 0.0460(7) Uani 1 1 d . . F2 F 0.28343(13) 0.7246(6) 0.36773(14) 0.0400(6) Uani 1 1 d . . F3 F 0.23660(13) 1.1067(6) 0.42064(16) 0.0457(6) Uani 1 1 d . . N1 N 0.6997(2) 0.0873(9) 0.16249(18) 0.0337(7) Uani 1 1 d . . N2 N 0.59810(18) 0.4024(8) 0.15064(16) 0.0284(7) Uani 1 1 d . . N3 N 0.55036(17) 0.5439(7) 0.18795(15) 0.0233(6) Uani 1 1 d . . N4 N 0.47214(16) 0.7854(7) 0.27173(15) 0.0217(6) Uani 1 1 d . . N5 N 0.43256(15) 0.8854(7) 0.32197(15) 0.0212(6) Uani 1 1 d . . N6 N 0.42856(17) 0.8727(8) 0.43942(16) 0.0241(6) Uani 1 1 d . . S1 S 0.64822(5) 0.1601(2) 0.28220(4) 0.0243(2) Uani 1 1 d . . S2 S 0.54308(5) 0.5623(2) 0.40398(4) 0.0222(2) Uani 1 1 d . . H6N H 0.442(3) 0.811(11) 0.476(3) 0.030(12) Uiso 1 1 d . . H1N H 0.729(3) -0.040(11) 0.188(2) 0.029(12) 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 0.052(3) 0.071(3) 0.035(2) -0.001(2) 0.022(2) 0.024(3) C2 0.0249(17) 0.0298(18) 0.0263(17) -0.0034(14) 0.0082(14) -0.0005(14) C3 0.0272(18) 0.0278(17) 0.0249(17) -0.0009(14) 0.0068(13) -0.0010(14) C4 0.0221(16) 0.0250(16) 0.0216(16) 0.0003(13) 0.0037(13) -0.0002(13) C5 0.0209(15) 0.0207(15) 0.0237(16) 0.0007(13) 0.0065(12) -0.0020(13) C6 0.0213(17) 0.0332(19) 0.0280(18) 0.0001(14) 0.0082(14) 0.0018(14) C7 0.030(2) 0.033(2) 0.039(2) 0.0053(16) 0.0144(16) 0.0049(16) C8 0.040(2) 0.043(2) 0.0222(18) 0.0016(16) 0.0050(15) 0.0088(18) C9 0.0274(18) 0.0326(19) 0.0254(18) 0.0027(14) 0.0024(14) 0.0049(15) Cu1 0.0194(3) 0.0266(3) 0.0191(3) 0.00051(19) 0.00646(18) 0.00227(19) F1 0.0462(15) 0.0409(14) 0.0573(16) 0.0159(12) 0.0284(13) 0.0038(12) F2 0.0322(12) 0.0397(13) 0.0481(14) -0.0036(11) 0.0057(10) -0.0100(10) F3 0.0270(12) 0.0406(14) 0.0714(18) 0.0098(13) 0.0139(12) 0.0073(10) N1 0.0345(18) 0.0378(18) 0.0307(17) -0.0011(14) 0.0115(14) 0.0102(15) N2 0.0289(16) 0.0354(17) 0.0230(15) -0.0035(12) 0.0106(12) 0.0054(13) N3 0.0271(15) 0.0237(14) 0.0204(13) -0.0010(11) 0.0075(11) 0.0005(12) N4 0.0205(13) 0.0232(14) 0.0228(14) -0.0008(11) 0.0082(11) 0.0004(11) N5 0.0190(13) 0.0245(13) 0.0212(14) 0.0000(11) 0.0064(11) 0.0012(11) N6 0.0231(14) 0.0294(15) 0.0214(15) 0.0024(12) 0.0084(11) 0.0014(12) S1 0.0218(4) 0.0277(4) 0.0247(4) 0.0001(3) 0.0074(3) 0.0023(3) S2 0.0206(4) 0.0280(4) 0.0194(4) 0.0035(3) 0.0073(3) 0.0031(3) loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0181 0.0091 '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' Cu Cu -1.9646 0.5888 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' S S 0.3331 0.5567 '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 N1 C1 H1A 109.5 N1 C1 H1B 109.5 H1A C1 H1B 109.5 N1 C1 H1C 109.5 H1A C1 H1C 109.5 H1B C1 H1C 109.5 N2 C2 N1 117.7(3) N2 C2 S1 126.1(3) N1 C2 S1 116.2(3) N3 C3 C4 114.1(3) N3 C3 C8 123.9(3) C4 C3 C8 122.1(3) N4 C4 C3 114.0(3) N4 C4 C9 122.7(3) C3 C4 C9 123.2(3) N5 C5 N6 116.9(3) N5 C5 S2 126.3(3) N6 C5 S2 116.8(3) N6 C6 C7 112.2(3) N6 C6 H6A 109.2 C7 C6 H6A 109.2 N6 C6 H6B 109.2 C7 C6 H6B 109.2 H6A C6 H6B 107.9 F2 C7 F1 106.7(3) F2 C7 F3 107.2(3) F1 C7 F3 105.5(3) F2 C7 C6 113.5(3) F1 C7 C6 111.7(4) F3 C7 C6 111.8(3) C3 C8 H8A 109.5 C3 C8 H8B 109.5 H8A C8 H8B 109.5 C3 C8 H8C 109.5 H8A C8 H8C 109.5 H8B C8 H8C 109.5 C4 C9 H9A 109.5 C4 C9 H9B 109.5 H9A C9 H9B 109.5 C4 C9 H9C 109.5 H9A C9 H9C 109.5 H9B C9 H9C 109.5 N4 Cu1 N3 80.36(12) N4 Cu1 S2 84.82(9) N3 Cu1 S2 165.13(9) N4 Cu1 S1 163.42(9) N3 Cu1 S1 85.14(9) S2 Cu1 S1 109.34(4) C2 N1 C1 122.6(4) C2 N1 H1N 118(3) C1 N1 H1N 119(3) C2 N2 N3 111.2(3) C3 N3 N2 121.4(3) C3 N3 Cu1 115.4(2) N2 N3 Cu1 123.1(2) C4 N4 N5 120.2(3) C4 N4 Cu1 116.0(2) N5 N4 Cu1 123.8(2) C5 N5 N4 111.0(3) C5 N6 C6 122.8(3) C5 N6 H6N 121(3) C6 N6 H6N 116(3) C2 S1 Cu1 93.45(13) C5 S2 Cu1 94.04(12) loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance C1 N1 1.456(5) C1 H1A 0.9800 C1 H1B 0.9800 C1 H1C 0.9800 C2 N2 1.330(5) C2 N1 1.335(5) C2 S1 1.766(4) C3 N3 1.300(5) C3 C4 1.477(5) C3 C8 1.487(5) C4 N4 1.299(5) C4 C9 1.494(5) C5 N5 1.319(4) C5 N6 1.357(4) C5 S2 1.755(4) C6 N6 1.446(5) C6 C7 1.492(5) C6 H6A 0.9900 C6 H6B 0.9900 C7 F2 1.337(5) C7 F1 1.349(5) C7 F3 1.353(5) C8 H8A 0.9800 C8 H8B 0.9800 C8 H8C 0.9800 C9 H9A 0.9800 C9 H9B 0.9800 C9 H9C 0.9800 Cu1 N4 1.958(3) Cu1 N3 1.973(3) Cu1 S2 2.2550(9) Cu1 S1 2.2559(10) N1 H1N 0.86(5) N2 N3 1.356(4) N4 N5 1.364(4) N6 H6N 0.77(5) loop_ _geom_hbond_atom_site_label_D _geom_hbond_atom_site_label_H _geom_hbond_atom_site_label_A _geom_hbond_distance_DH _geom_hbond_distance_HA _geom_hbond_distance_DA _geom_hbond_angle_DHA _geom_hbond_site_symmetry_A N6 H6N S2 0.77(5) 2.78(5) 3.515(3) 161(4) 3_666 N1 H1N S1 0.86(5) 2.58(5) 3.371(4) 153(4) 2_645 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 N3 C3 C4 N4 0.8(5) C8 C3 C4 N4 -178.2(3) N3 C3 C4 C9 -176.4(3) C8 C3 C4 C9 4.6(6) N6 C6 C7 F2 -61.1(4) N6 C6 C7 F1 59.5(4) N6 C6 C7 F3 177.5(3) N2 C2 N1 C1 4.6(6) S1 C2 N1 C1 -175.1(4) N1 C2 N2 N3 -176.3(3) S1 C2 N2 N3 3.3(5) C4 C3 N3 N2 -179.1(3) C8 C3 N3 N2 -0.1(6) C4 C3 N3 Cu1 -2.7(4) C8 C3 N3 Cu1 176.3(3) C2 N2 N3 C3 -178.2(3) C2 N2 N3 Cu1 5.7(4) C3 C4 N4 N5 -176.9(3) C9 C4 N4 N5 0.4(5) C3 C4 N4 Cu1 1.5(4) C9 C4 N4 Cu1 178.8(3) N6 C5 N5 N4 -179.8(3) S2 C5 N5 N4 -0.2(4) C4 N4 N5 C5 -179.4(3) Cu1 N4 N5 C5 2.4(4) N5 C5 N6 C6 -6.1(5) S2 C5 N6 C6 174.3(3) C7 C6 N6 C5 96.7(4) N2 C2 S1 Cu1 -8.4(4) N1 C2 S1 Cu1 171.2(3) N5 C5 S2 Cu1 -1.4(3) N6 C5 S2 Cu1 178.1(3)