#------------------------------------------------------------------------------ #$Date: 2020-12-03 01:30:43 +0200 (Thu, 03 Dec 2020) $ #$Revision: 259469 $ #$URL: file:///home/coder/svn-repositories/cod/cif/4/00/38/4003831.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_4003831 loop_ _publ_author_name 'Artem’ev, Alexander V.' 'Davydova, Maria P.' 'Hei, Xiuze' 'Rakhmanova, Mariana I.' 'Samsonenko, Denis G.' 'Bagryanskaya, Irina Yu.' 'Brylev, Konstantin A.' 'Fedin, Vladimir P.' 'Chen, Jia-Shiang' 'Cotlet, Mircea' 'Li, Jing' _publ_section_title ; Family of Robust and Strongly Luminescent CuI-Based Hybrid Networks Made of Ionic and Dative Bonds ; _journal_name_full 'Chemistry of Materials' _journal_paper_doi 10.1021/acs.chemmater.0c03984 _journal_year 2020 _chemical_formula_sum 'C9 H19 Cu2 I3 N4' _chemical_formula_weight 691.06 _space_group_crystal_system monoclinic _space_group_IT_number 14 _space_group_name_Hall '-P 2yn' _space_group_name_H-M_alt 'P 1 21/n 1' _atom_sites_solution_hydrogens geom _atom_sites_solution_primary dual _atom_sites_solution_secondary difmap _audit_creation_method SHELXL-2018/3 _cell_angle_alpha 90 _cell_angle_beta 97.240(4) _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 8.8107(3) _cell_length_b 11.8934(4) _cell_length_c 15.5661(6) _cell_measurement_reflns_used 14297 _cell_measurement_temperature 135(2) _cell_measurement_theta_max 28.94 _cell_measurement_theta_min 3.69 _cell_volume 1618.15(10) _computing_cell_refinement 'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)' _computing_data_collection 'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)' _computing_data_reduction 'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)' _computing_molecular_graphics 'ShelXle (H\"ubschle, 2011)' _computing_publication_material 'CIFTAB (Sheldrick, 2015)' _computing_structure_refinement 'SHELXL-2018 (Sheldrick, 2015)' _computing_structure_solution 'SHELXT-2018 (Sheldrick, 2015)' _diffrn_ambient_temperature 135(2) _diffrn_detector 'CCD plate' _diffrn_detector_area_resol_mean 10.6 _diffrn_detector_type AtlasS2 _diffrn_measured_fraction_theta_full 0.998 _diffrn_measured_fraction_theta_max 0.922 _diffrn_measurement_device 'four-circle diffractometer' _diffrn_measurement_device_type 'New Xcalibur, AtlasS2' _diffrn_measurement_method '\w scans' _diffrn_radiation_monochromator graphite _diffrn_radiation_probe x-ray _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0246 _diffrn_reflns_av_unetI/netI 0.0183 _diffrn_reflns_Laue_measured_fraction_full 0.998 _diffrn_reflns_Laue_measured_fraction_max 0.922 _diffrn_reflns_limit_h_max 11 _diffrn_reflns_limit_h_min -11 _diffrn_reflns_limit_k_max 15 _diffrn_reflns_limit_k_min -15 _diffrn_reflns_limit_l_max 20 _diffrn_reflns_limit_l_min -21 _diffrn_reflns_number 24405 _diffrn_reflns_point_group_measured_fraction_full 0.998 _diffrn_reflns_point_group_measured_fraction_max 0.922 _diffrn_reflns_theta_full 25.500 _diffrn_reflns_theta_max 29.143 _diffrn_reflns_theta_min 3.299 _diffrn_source 'sealed X-ray tube' _exptl_absorpt_coefficient_mu 8.341 _exptl_absorpt_correction_T_max 1.00000 _exptl_absorpt_correction_T_min 0.41074 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details ; CrysAlisPro 1.171.38.46 (Rigaku Oxford Diffraction, 2015) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm. ; _exptl_crystal_colour colorless _exptl_crystal_density_diffrn 2.837 _exptl_crystal_description stick _exptl_crystal_F_000 1272 _exptl_crystal_size_max 0.30 _exptl_crystal_size_mid 0.11 _exptl_crystal_size_min 0.10 _refine_diff_density_max 0.633 _refine_diff_density_min -0.558 _refine_diff_density_rms 0.105 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.179 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 164 _refine_ls_number_reflns 4019 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 1.179 _refine_ls_R_factor_all 0.0195 _refine_ls_R_factor_gt 0.0170 _refine_ls_shift/su_max 0.002 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0067P)^2^+1.5980P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0309 _refine_ls_wR_factor_ref 0.0314 _reflns_Friedel_coverage 0.000 _reflns_number_gt 3789 _reflns_number_total 4019 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file 4.cif _cod_data_source_block md113 _cod_original_sg_symbol_H-M 'P 21/n' _cod_database_code 4003831 _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_estimated_absorpt_t_min 0.189 _shelx_estimated_absorpt_t_max 0.489 _shelx_res_file ; TITL md113 in P2(1)/n; 135K; Xcalibur md113.res created by SHELXL-2018/3 at 12:19:32 on 09-Apr-2020 CELL 0.71073 8.8107 11.8934 15.5661 90.000 97.240 90.000 ZERR 4.000 0.0003 0.0004 0.0006 0.000 0.004 0.000 LATT 1 SYMM 1/2-X, 1/2+Y, 1/2-Z SFAC C H N CU I UNIT 36 76 16 8 12 LIST 4 ! automatically inserted. Change 6 to 4 for CHECKCIF!! TEMP -138 L.S. 6 BOND $H FMAP 2 PLAN 5 OMIT 0 ACTA 51 SIZE 0.30 0.11 0.10 WGHT 0.006700 1.598000 FVAR 1.49357 CU1 4 0.210495 0.608502 0.358597 11.00000 0.01417 0.01736 = 0.01618 0.00133 0.00231 -0.00131 CU2 4 0.131681 0.555335 0.526227 11.00000 0.01431 0.01434 = 0.01409 0.00005 0.00083 0.00029 I1 5 0.086816 0.695041 0.214922 11.00000 0.01131 0.02003 = 0.01673 0.00505 0.00146 0.00100 I2 5 0.247057 0.746677 0.490558 11.00000 0.02506 0.01390 = 0.01571 -0.00295 0.00778 -0.00464 I3 5 0.117414 0.408000 0.398329 11.00000 0.01224 0.01170 = 0.01153 -0.00125 0.00237 -0.00019 N1 3 0.448110 0.585716 0.325966 11.00000 0.00976 0.01106 = 0.01136 0.00269 0.00100 0.00010 N2 3 0.710850 0.525652 0.371489 11.00000 0.00969 0.01313 = 0.00950 -0.00163 0.00079 -0.00029 N3 3 0.660430 0.702534 0.294048 11.00000 0.01084 0.01267 = 0.01242 0.00071 0.00295 0.00004 N4 3 0.610844 0.525529 0.218178 11.00000 0.00990 0.01477 = 0.00936 -0.00090 -0.00028 0.00088 C1 1 0.551650 0.527461 0.393555 11.00000 0.00984 0.01475 = 0.01161 0.00443 0.00254 -0.00033 AFIX 23 H1A 2 0.515604 0.449386 0.399740 11.00000 -1.20000 H1AB 2 0.549701 0.566228 0.449687 11.00000 -1.20000 AFIX 0 C2 1 0.504352 0.702230 0.317101 11.00000 0.01174 0.01107 = 0.01423 0.00145 0.00361 0.00017 AFIX 23 H2A 2 0.435729 0.742102 0.271808 11.00000 -1.20000 H2AB 2 0.502337 0.742890 0.372442 11.00000 -1.20000 AFIX 0 C3 1 0.449322 0.527379 0.244364 11.00000 0.00966 0.01453 = 0.01504 -0.00095 -0.00091 0.00072 AFIX 23 H3A 2 0.379111 0.565568 0.198867 11.00000 -1.20000 H3AB 2 0.412640 0.449346 0.249869 11.00000 -1.20000 AFIX 0 C4 1 0.761792 0.643913 0.361583 11.00000 0.01232 0.01184 = 0.01081 0.00179 0.00094 -0.00168 AFIX 23 H4A 2 0.762137 0.684102 0.417303 11.00000 -1.20000 H4AB 2 0.867525 0.644188 0.346320 11.00000 -1.20000 AFIX 0 C5 1 0.663083 0.647744 0.212611 11.00000 0.01380 0.01473 = 0.01159 0.00301 0.00090 0.00117 AFIX 23 H5A 2 0.768108 0.649846 0.196341 11.00000 -1.20000 H5AB 2 0.594573 0.687740 0.167335 11.00000 -1.20000 AFIX 0 C6 1 0.715030 0.467170 0.290308 11.00000 0.01163 0.01309 = 0.01209 0.00166 -0.00175 0.00264 AFIX 23 H6A 2 0.681166 0.388444 0.295966 11.00000 -1.20000 H6AB 2 0.821183 0.466019 0.275714 11.00000 -1.20000 AFIX 0 C7 1 0.610170 0.467666 0.132359 11.00000 0.01924 0.02113 = 0.01354 -0.00436 -0.00147 0.00254 AFIX 23 H7A 2 0.546096 0.511890 0.087680 11.00000 -1.20000 H7AB 2 0.561792 0.392915 0.135617 11.00000 -1.20000 AFIX 0 C8 1 0.767886 0.451961 0.103639 11.00000 0.02313 0.01976 = 0.01521 -0.00069 0.00262 0.00540 AFIX 23 H8A 2 0.826512 0.396069 0.141549 11.00000 -1.20000 H8AB 2 0.824326 0.524098 0.109306 11.00000 -1.20000 AFIX 0 C9 1 0.754008 0.411886 0.009598 11.00000 0.03948 0.02483 = 0.01636 -0.00141 0.00421 0.00867 AFIX 37 H9A 2 0.854402 0.387064 -0.003883 11.00000 -1.50000 H9B 2 0.717141 0.473817 -0.029031 11.00000 -1.50000 H9C 2 0.681588 0.349101 0.001461 11.00000 -1.50000 AFIX 0 HKLF 4 REM md113 in P2(1)/n; 135K; Xcalibur REM wR2 = 0.0314, GooF = S = 1.179, Restrained GooF = 1.179 for all data REM R1 = 0.0170 for 3789 Fo > 4sig(Fo) and 0.0195 for all 4019 data REM 164 parameters refined using 0 restraints END WGHT 0.0067 1.5979 REM Highest difference peak 0.633, deepest hole -0.558, 1-sigma level 0.105 Q1 1 0.5916 0.7033 0.3066 11.00000 0.05 0.63 Q2 1 0.0890 0.6352 0.1986 11.00000 0.05 0.56 Q3 1 0.5542 0.4165 0.1560 11.00000 0.05 0.49 Q4 1 0.6548 0.6679 0.2589 11.00000 0.05 0.47 Q5 1 0.6665 0.3772 -0.0309 11.00000 0.05 0.46 ; _shelx_res_checksum 34547 _shelx_hkl_file ; 0 0 -3 69.2261 53.4045 3 0 0 3 496.299 166.410 4 0 0 3 39.3200 57.1935 3 0 0 -3 458.520 192.802 4 0 0 -3 28.3415 63.3247 1 0 0 3 285.258 61.1848 1 0 0 4 27220.4 625.526 1 0 0 -4 24427.4 790.949 4 0 0 -4 28275.3 632.846 1 0 0 4 28756.8 636.756 3 0 0 4 25734.5 769.627 4 0 0 -4 28119.5 631.769 3 0 0 5 166.813 70.5317 1 0 0 -5 18.1480 61.2067 3 0 0 -5 131.008 204.155 4 0 0 5 314.896 166.155 4 0 0 -5 153.361 86.1698 1 0 0 5 107.576 91.5352 3 0 0 -6 26218.5 668.698 1 0 0 6 23829.6 819.474 4 0 0 6 25382.2 663.762 1 0 0 6 24898.9 661.939 3 0 0 -6 24178.7 866.898 4 0 0 -6 24046.1 655.275 3 0 0 -7 124.844 85.2616 3 0 0 -7 79.0989 209.617 4 0 0 7 137.042 89.7962 3 0 0 7 41.3537 76.4160 1 0 0 7 95.6345 150.929 4 0 0 8 141324. 3018.49 4 0 0 -8 144859. 2768.66 3 0 0 -8 146569. 3102.02 4 0 0 8 146452. 2766.80 1 0 0 8 148552. 2770.29 3 0 0 9 129.307 94.8112 3 0 0 -9 191.295 96.7899 3 0 0 -9 115.430 185.582 4 0 0 9 179.110 91.5081 1 0 0 9 138.103 154.591 4 0 0 -10 167968. 3563.80 6 0 0 -10 160630. 3533.97 4 0 0 -10 171413. 3238.32 3 0 0 10 165543. 3220.77 3 0 0 10 166717. 3495.90 4 0 0 10 171430. 3243.16 1 0 0 11 228.728 104.275 1 0 0 -11 229.607 179.817 6 0 0 11 401.355 135.073 3 0 0 11 199.303 173.814 4 0 0 -11-17.7836 84.1427 3 0 0 -11 133.519 173.700 4 0 0 12 8185.52 466.008 3 0 0 12 7098.42 540.359 4 0 0 -12 7817.85 573.109 4 0 0 12 8058.96 484.377 5 0 0 -12 7760.92 584.439 6 0 0 13-7.83512 117.107 3 0 0 -13 65.1177 187.206 6 0 0 -13 142.178 194.261 4 0 0 13 64.4639 154.502 4 0 0 13 202.375 134.836 5 0 0 -14 18993.4 990.818 6 0 0 14 17229.1 769.991 3 0 0 14 18554.9 827.078 5 0 0 15 62.2887 129.839 5 0 0 15-66.8921 132.985 3 0 0 -15 147.824 210.945 6 0 0 16 31665.3 1208.08 5 0 0 16 30494.3 1140.98 3 0 0 -16 29634.2 1364.36 6 0 0 17 646.685 278.343 3 0 0 17 142.511 169.844 5 0 0 -17 247.431 265.414 6 0 0 -18 6290.84 648.081 6 0 0 18 6109.74 553.995 5 0 0 18 5667.80 504.034 3 0 0 -19-1.61591 225.108 6 0 1 -3 5444.03 214.459 5 0 -1 3 5671.58 219.505 5 0 1 3 5405.67 207.638 1 0 1 3 5650.77 224.612 4 0 -1 -3 4780.53 241.229 4 0 -1 -3 5431.07 203.337 3 0 1 -3 5384.50 213.205 3 0 -1 -3 5767.15 261.190 6 0 -1 -3 5598.56 214.153 1 0 1 3 5479.28 204.765 3 0 -1 3 4616.91 348.493 4 0 1 -3 5651.90 387.029 4 0 1 -4 4969.77 223.173 3 0 -1 4 5081.00 226.866 3 0 -1 -4 5451.62 295.575 4 0 1 -4 6518.46 438.944 4 0 -1 -4 5024.50 215.005 3 0 1 4 5451.72 256.854 4 0 -1 4 4996.50 378.141 4 0 -1 4 5070.48 231.682 5 0 1 4 5420.21 226.358 3 0 -1 -4 5524.14 236.558 1 0 1 4 5059.82 224.583 1 0 -1 5 55795.9 1525.19 4 0 1 -5 60416.9 1576.61 4 0 -1 -5 62020.3 1390.46 4 0 -1 5 63520.0 1260.33 1 0 1 -5 60603.1 1260.63 3 0 -1 -5 61391.6 1258.74 1 0 -1 5 64651.1 1273.87 3 0 1 5 62556.9 1254.76 3 0 1 5 61713.8 1265.12 1 0 -1 -5 63858.7 1253.77 3 0 1 5 64393.9 1337.96 4 0 -1 5 61716.4 1283.82 5 0 -1 6 32834.2 800.906 3 0 1 6 31725.6 794.558 1 0 1 -6 32286.0 795.100 3 0 -1 -6 32295.4 784.224 3 0 -1 6 30310.3 776.526 1 0 -1 6 31079.8 1049.28 4 0 1 6 31147.4 782.345 3 0 -1 6 31653.2 809.235 5 0 -1 -6 31394.6 787.471 1 0 -1 -6 30989.6 909.327 4 0 1 -6 33721.6 1104.70 4 0 1 6 33748.6 881.841 4 0 -1 7 37323.5 925.860 3 0 -1 -7 36922.8 904.847 3 0 -1 7 35432.2 930.317 5 0 -1 -7 36488.0 1050.75 4 0 -1 7 36823.3 915.601 1 0 1 -7 38300.0 927.729 3 0 1 7 35951.3 996.704 4 0 1 7 36204.9 917.788 1 0 1 7 37324.1 912.009 3 0 -1 -7 38007.7 1075.11 6 0 1 -7 38448.3 1249.41 4 0 -1 -7 36463.3 915.624 1 0 -1 7 37788.9 1206.80 4 0 1 -8 181306. 3424.22 3 0 -1 8 184336. 3447.74 5 0 -1 -8 181265. 3637.00 6 0 -1 8 181392. 3815.20 4 0 -1 8 185058. 3411.59 1 0 -1 8 186284. 3424.31 3 0 -1 -8 180185. 3599.88 4 0 1 -8 188413. 3888.44 4 0 1 8 189610. 3431.03 1 0 1 8 183365. 3405.32 3 0 -1 -8 188787. 3420.03 1 0 1 8 185081. 3542.87 4 0 -1 -8 192493. 3415.04 3 0 1 -9 2386.12 353.971 4 0 -1 -9 1816.40 196.183 3 0 1 9 2147.03 211.931 3 0 -1 9 2919.94 354.127 4 0 -1 -9 2983.92 321.787 6 0 -1 9 2630.62 241.895 5 0 -1 -9 2013.24 207.866 1 0 1 9 2451.62 268.798 4 0 1 -9 2175.21 212.419 3 0 -1 -9 2193.19 265.808 4 0 -1 9 2509.25 224.512 3 0 1 9 2681.31 230.395 1 0 -1 9 2718.95 227.758 1 0 -1 10 2883.20 374.257 4 0 1 10 2879.40 252.837 3 0 -1 -10 3073.51 316.677 4 0 -1 10 2923.83 255.462 3 0 1 -10 2701.57 258.716 3 0 1 10 2876.78 290.241 4 0 1 10 3495.84 277.354 1 0 1 -10 2739.29 359.195 4 0 -1 -10 2477.72 242.588 3 0 -1 -10 3041.08 259.633 1 0 -1 -10 3127.99 337.265 6 0 -1 10 2678.83 259.255 5 0 -1 10 3247.53 263.819 1 0 1 -11 5196.45 502.638 4 0 -1 11 4984.28 361.366 5 0 -1 11 5547.66 361.296 1 0 1 11 4747.80 337.518 3 0 -1 -11 5151.91 345.992 3 0 1 11 4571.35 333.328 1 0 -1 11 4695.19 340.312 3 0 1 -11 4953.39 344.559 3 0 -1 -11 4723.41 426.932 6 0 -1 -11 4759.27 405.202 4 0 1 11 4650.41 387.409 4 0 -1 11 5582.66 491.187 4 0 -1 -12 310.874 169.729 4 0 -1 12 923.822 255.018 4 0 -1 12 707.367 171.319 3 0 -1 -12 448.743 208.963 6 0 1 12 1434.42 231.919 4 0 -1 12 394.011 143.120 5 0 1 -12 899.498 275.907 4 0 1 -12 1389.33 304.623 6 0 1 12 501.971 143.670 3 0 1 13 9161.43 568.013 4 0 1 -13 9495.53 684.037 6 0 1 13 9064.41 516.367 3 0 -1 13 9156.48 549.018 5 0 -1 -13 9910.93 663.882 6 0 1 -13 10741.5 728.242 4 0 -1 13 9463.07 533.270 3 0 1 -14 513.040 241.221 4 0 1 -14 1009.55 292.965 6 0 -1 14 291.562 151.980 5 0 -1 -14 312.614 213.759 6 0 -1 14 696.039 179.945 3 0 1 14 529.300 175.252 3 0 1 14 405.570 187.503 4 0 -1 -15 16431.3 928.462 6 0 1 15 14808.1 732.510 3 0 1 15 16343.5 808.035 5 0 1 -15 15948.0 959.388 6 0 -1 15 15291.3 782.087 5 0 -1 -16 17972.3 1013.04 6 0 1 -16 19225.2 1087.32 6 0 -1 16 18641.4 896.800 5 0 1 16 17614.5 837.589 3 0 1 16 17860.8 882.198 5 0 1 17 4888.47 459.970 3 0 -1 17 5626.60 509.022 5 0 1 -17 5323.29 636.967 6 0 -1 -17 4152.06 524.368 6 0 1 17 6019.95 526.768 5 0 1 18 41605.6 1539.25 5 0 -1 -18 43148.8 1731.14 6 0 1 18 39744.8 1439.60 3 0 1 -18 44394.0 1825.59 6 0 -1 18 42167.4 1536.94 5 0 1 19 189.976 174.090 3 0 -1 -19 193.671 215.208 6 0 -2 0 2919.98 130.287 5 0 -2 0 3108.86 150.320 3 0 -2 0 2613.05 189.927 4 0 2 0 2999.28 130.655 5 0 2 1 66090.9 1202.68 1 0 -2 1 65103.3 1180.05 5 0 -2 1 56167.8 1338.45 4 0 2 1 64655.6 1180.49 5 0 2 -1 63603.7 1179.45 5 0 2 -1 59058.6 1354.68 4 0 -2 -1 66250.3 1201.07 3 0 2 1 65606.3 1197.97 3 0 -2 -1 65404.2 1200.13 1 0 2 -2 2341.58 317.296 4 0 2 2 2004.12 127.937 6 0 2 2 2245.03 138.559 3 0 2 -2 2032.32 130.494 5 0 -2 2 2321.90 138.261 5 0 -2 -2 2311.28 139.414 3 0 2 2 1902.87 129.037 1 0 -2 -2 1884.88 138.158 1 0 -2 -2 2001.51 108.091 6 0 2 2 2217.37 90.1879 7 0 -2 2 1617.48 262.251 4 0 -2 -3 148012. 2638.34 6 0 -2 -3 158103. 2670.56 1 0 2 -3 141121. 2978.55 4 0 -2 3 153712. 2662.62 5 0 2 3 151011. 2661.74 1 0 2 3 154057. 2650.07 3 0 2 -3 151794. 2661.25 5 0 -2 -3 143952. 2649.94 3 0 -2 -3 154275. 2525.52 7 0 -2 3 136162. 2957.45 4 0 2 4 198532. 3417.11 1 0 -2 -4 198468. 3315.51 4 0 -2 4 199917. 3422.44 5 0 -2 -4 193036. 3435.30 6 0 -2 -4 197767. 3271.84 7 0 -2 -4 196711. 3417.00 1 0 2 4 190999. 3260.97 4 0 2 -4 200301. 3423.43 5 0 -2 4 175882. 3757.68 4 0 2 -4 181487. 3790.35 4 0 2 4 196929. 3394.78 3 0 -2 -4 196320. 3394.59 3 0 2 5 19871.6 509.264 4 0 -2 -5 21716.3 580.498 3 0 2 5 21337.3 590.586 1 0 2 -5 21446.0 593.545 3 0 -2 -5 20168.6 580.907 1 0 2 -5 21533.6 597.015 5 0 2 5 21380.2 574.017 3 0 -2 -5 21859.8 561.499 4 0 -2 -5 19932.9 621.486 6 0 -2 5 21214.4 858.246 4 0 2 -5 21258.6 875.009 4 0 -2 5 20843.0 593.135 5 0 -2 6 50705.9 1491.77 4 0 -2 6 48690.5 1135.48 5 0 -2 -6 50667.0 1117.85 4 0 -2 -6 46805.4 1103.73 3 0 -2 -6 49547.3 1203.04 6 0 2 -6 49526.6 1501.09 4 0 2 6 50356.8 1108.43 3 0 -2 -6 48430.5 1117.25 1 0 2 6 51518.9 1138.96 1 0 2 6 51895.1 1064.95 4 0 2 -6 50474.6 1133.51 3 0 -2 -7 22750.0 665.470 3 0 2 7 23508.4 676.688 3 0 -2 -7 21994.0 681.550 4 0 2 7 23369.0 655.268 4 0 -2 -7 22810.4 767.252 6 0 2 -7 23362.9 689.124 3 0 2 7 22877.3 688.526 1 0 -2 7 22636.4 697.928 5 0 2 -7 22129.0 983.487 4 0 -2 7 24013.9 982.514 4 0 -2 -7 23692.3 688.607 1 0 2 -8 185.756 277.251 4 0 -2 -8 216.492 112.007 4 0 -2 -8 90.6664 125.615 6 0 -2 -8 140.483 90.0146 1 0 2 -8 229.009 97.8352 3 0 -2 8 65.9099 88.0174 5 0 -2 -8 305.908 96.4588 3 0 2 8 148.043 94.9986 3 0 -2 8 520.348 243.017 4 0 -2 8 182.317 85.1341 1 0 2 8 126.914 83.4270 1 0 2 8 260.838 114.038 4 0 -2 -9 3678.27 272.756 3 0 2 -9 3639.02 275.904 3 0 -2 -9 3837.18 283.491 1 0 2 9 3488.62 268.270 1 0 -2 -9 3663.16 330.475 6 0 -2 9 3865.37 291.946 5 0 -2 9 3292.31 254.592 1 0 -2 -9 3307.09 280.354 4 0 -2 9 4039.37 438.850 4 0 2 9 3362.17 260.129 3 0 2 -9 3285.50 408.580 4 0 2 9 3737.77 271.960 4 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12567.8 703.587 3 -2 -10 -5 12392.3 340.244 4 2 -10 5 11921.9 561.675 5 2 10 5 12485.4 694.334 3 2 10 5 11697.4 332.898 7 2 -10 5 12908.5 533.122 2 -2 10 -5 12554.5 591.810 5 -2 -10 -5 12828.1 696.065 1 -2 10 -5 13771.9 897.805 4 -2 10 -6 3515.79 496.729 4 2 -10 6 4014.63 294.322 2 2 -10 6 3405.99 301.867 5 2 10 6 2977.57 349.385 3 -2 -10 -6 3567.52 375.963 1 -2 10 -6 3326.15 311.905 5 -2 10 -7 645.240 324.707 4 2 -10 7 138.415 108.919 5 2 10 7 510.919 201.138 3 2 -10 7 273.932 107.391 2 -2 -10 -7 205.958 165.352 1 2 -10 8 12406.3 565.582 2 -2 10 -8 13245.2 958.970 4 2 -10 8 12767.1 629.398 5 -2 -10 -8 13123.2 733.498 1 2 10 8 13827.5 762.056 3 2 10 9 9660.50 646.384 3 -2 -10 -9 10183.6 658.810 1 2 -10 9 9722.99 562.321 5 2 -10 9 10498.4 528.313 2 -2 10 -9 9965.36 850.603 4 2 -10 10 27608.7 941.573 2 -2 -10 -10 25803.9 1108.93 1 2 -10 10 26398.8 1002.45 5 2 10 10 26264.0 1130.76 3 -2 10 -10 26529.0 1423.11 4 2 -10 11 1242.94 210.382 2 2 10 11 1120.43 267.967 3 -2 10 -11 1434.77 430.582 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72180.5 2128.80 3 -4 -12 3 35284.4 1369.43 5 -4 -12 3 35848.7 1378.07 1 4 -12 -3 32150.0 1222.73 1 -4 12 3 32761.1 1214.27 3 4 12 -3 37729.6 1423.37 3 -4 12 3 36038.4 1277.18 4 4 12 -2 1421.15 293.130 3 -4 12 2 1060.68 274.947 4 -4 12 2 1267.36 246.937 3 -4 -12 2 1407.10 285.885 5 -4 -12 2 1335.52 285.443 1 4 -12 -2 874.086 215.518 1 4 12 -1 2605.60 368.062 3 -4 -12 1 1642.75 302.213 1 -4 12 1 2132.16 359.462 4 4 -12 -1 1777.09 268.407 1 -4 12 1 1911.97 296.233 3 -4 -12 1 2204.37 343.127 5 -4 12 0 3851.39 404.562 3 -4 12 0 3157.95 436.013 4 -4 -12 0 3933.98 442.718 1 4 -12 0 4208.63 404.847 1 4 12 0 3782.44 441.888 3 -4 12 -1 3773.61 491.664 4 -4 12 -1 3822.44 412.093 3 -4 -12 -1 4048.56 446.615 1 4 -12 1 4095.17 377.398 2 4 12 1 3116.64 406.145 3 4 -12 1 3507.76 362.853 1 4 -12 2 13373.2 715.916 1 -4 12 -2 14570.9 810.861 3 -4 -12 -2 15172.3 852.802 1 4 -12 2 15770.3 739.611 2 4 12 2 14776.7 855.231 3 -4 12 -2 14660.9 929.196 4 -4 12 -3 266.239 248.928 4 -4 12 -3-78.6677 162.406 3 -4 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480.548 1 -4 13 7 3837.36 416.314 3 4 -13 -6 5209.86 502.702 1 -4 -13 6 5500.49 545.832 5 -4 13 6 4945.24 465.744 3 4 13 -6 6050.64 586.211 3 -4 -13 5 5537.02 543.914 5 4 -13 -5 5409.63 510.730 1 -4 13 5 6080.12 516.477 3 4 13 -5 5946.56 601.116 3 -4 -13 4 5590.98 543.762 5 -4 -13 4 6255.39 576.476 1 4 -13 -4 5539.46 508.195 1 -4 13 4 5823.95 504.549 3 4 13 -4 5503.47 552.760 3 -4 -13 3 861.498 260.003 1 -4 13 3 833.492 230.800 3 4 13 -3 470.594 207.932 3 -4 -13 3 1015.01 261.763 5 4 -13 -3 417.427 187.571 1 -4 -13 2 12115.0 790.573 1 -4 -13 2 11339.8 762.932 5 4 -13 -2 11729.7 715.024 1 4 13 -2 11173.5 774.407 3 -4 13 2 10122.7 672.503 3 4 13 -1 740.278 237.843 3 -4 13 1 906.546 271.742 4 4 -13 -1 530.844 207.508 1 -4 13 1 344.321 196.594 3 -4 -13 1 578.869 214.882 5 -4 -13 1 713.680 232.614 1 -4 13 0 3264.85 450.682 4 -4 13 0 3626.28 412.268 3 4 -13 0 3077.38 376.982 1 -4 -13 0 3530.71 431.424 1 4 13 0 3789.33 458.424 3 -4 13 -1 3036.60 452.744 4 -4 -13 -1 3771.35 446.572 1 -4 13 -1 3846.23 428.930 3 4 -13 1 2879.28 348.328 1 4 13 1 3632.62 455.274 3 4 -13 2 5917.70 493.075 1 -4 13 -2 6462.14 557.161 3 -4 -13 -2 6487.72 576.387 1 4 13 2 6697.46 593.536 3 -4 13 -2 6950.26 679.042 4 -4 -13 -3 24599.8 1154.97 1 -4 13 -3 24486.8 1131.61 3 4 -13 3 23101.5 1006.62 1 4 13 3 25863.6 1203.73 3 -4 13 -3 25101.7 1313.62 4 -4 13 -4 702.557 357.046 4 -4 13 -4 921.240 250.634 3 -4 -13 -4 1055.71 274.970 1 4 -13 4 697.762 207.089 1 4 13 4 575.200 220.233 3 -4 13 -5 599.505 312.743 4 4 -13 5 1513.33 260.775 1 -4 13 -5 1493.87 303.690 3 -4 -13 -5 786.660 241.747 1 -4 13 -6 6618.14 738.468 4 -4 13 -6 5396.75 543.667 3 4 -13 6 6057.97 491.717 1 -4 13 -7 2853.12 544.822 4 -4 14 8 9843.94 678.102 3 -4 14 7 28411.7 1193.20 3 4 -14 -6 7353.48 621.849 1 -4 14 6 8103.82 624.530 3 4 -14 -5 5567.41 532.512 1 -4 14 5 3942.32 437.221 3 4 -14 -4 4878.17 492.353 1 -4 14 4 4190.08 456.951 3 -4 14 3 842.031 248.047 3 4 -14 -3 331.989 180.896 1 4 -14 -2 13753.7 815.016 1 -4 14 2 13651.1 816.480 3 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3415.72 248.907 2 5 6 2 4107.75 329.957 3 5 -6 2 3817.15 214.202 1 5 6 3 1740.75 190.554 2 -5 6 -3 1908.33 219.992 3 -5 6 -3 1211.07 248.777 4 -5 -6 -3 1886.08 208.286 4 5 6 3 2053.17 246.699 3 -5 -6 -3 1955.70 225.911 1 5 -6 3 1718.26 241.217 2 5 -6 3 1801.27 148.505 1 -5 -6 -4 12696.3 573.715 1 -5 6 -4 12615.6 705.055 4 5 -6 4 12590.4 417.285 1 -5 -6 -4 12786.9 538.669 4 -5 6 -4 12099.9 579.944 3 5 -6 4 12503.3 625.980 2 5 -6 4 12412.2 327.980 5 5 6 4 12509.4 610.584 3 -5 6 -5 5350.78 488.023 4 -5 -6 -5 4781.29 319.084 4 5 -6 5 4804.94 245.515 1 5 -6 5 5093.62 404.712 2 5 6 5 4880.27 383.378 3 5 -6 5 5132.94 225.928 5 -5 -6 -5 4472.77 341.879 1 -5 6 -6 50344.6 1634.81 4 -5 -6 -6 46995.4 1245.73 4 5 -6 6 48535.2 1438.41 2 5 -6 6 48396.5 1094.01 1 5 6 6 51140.1 1446.40 3 5 -6 6 51640.7 1100.15 5 -5 -6 -6 48681.4 1335.95 1 -5 6 -7 71842.0 2141.78 4 -5 -6 -7 74786.1 1714.67 4 5 6 7 71773.0 1896.71 3 5 -6 7 71841.1 1907.65 2 -5 -6 -7 73593.5 1801.00 1 5 -6 7 77155.3 1578.98 5 5 -6 8 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899.841 95.2915 5 -5 -7 4 690.195 189.845 5 5 -7 -4 897.108 208.217 2 -5 7 4 1238.81 196.089 3 -5 7 3 26035.2 854.223 4 5 -7 -3 27753.1 988.856 2 5 -7 -3 24663.0 783.926 1 -5 -7 3 25689.8 778.000 6 -5 -7 3 25936.2 959.164 5 -5 7 3 24344.1 775.178 1 -5 7 3 22396.8 531.254 5 5 7 -3 24621.7 878.734 3 -5 7 3 26052.7 764.494 3 5 7 -2 1833.08 235.870 3 -5 7 2 1947.34 197.491 3 -5 7 2 2482.81 266.307 4 5 7 -2 2191.22 150.478 2 5 -7 -2 2072.33 232.219 4 -5 -7 2 1997.06 189.973 6 5 -7 -2 1993.22 200.437 1 -5 -7 2 1856.13 265.462 5 5 -7 -2 2018.54 262.605 2 -5 7 1 258571. 4590.80 3 -5 7 1 253343. 4766.48 4 -5 -7 1 255051. 4756.42 3 5 7 -1 245677. 4564.92 7 5 -7 -1 253238. 4723.51 4 5 -7 -1 256676. 4840.10 2 5 7 -1 254541. 4342.41 2 -5 -7 1 256833. 4444.72 6 -5 -7 1 246172. 4826.26 5 5 -7 -1 244189. 4505.36 1 5 7 -1 243844. 4730.56 3 -5 7 0 53685.0 1472.41 4 -5 7 0 53038.4 1330.55 3 5 -7 0 52452.5 1428.06 4 5 7 0 51298.6 1233.49 7 5 -7 0 53248.7 1471.96 2 5 7 0 52932.6 1142.57 2 -5 -7 0 55286.0 1167.70 6 -5 -7 0 51140.7 1471.72 5 -5 -7 0 52960.2 1425.29 1 5 -7 0 50561.0 1219.42 1 5 7 0 50684.8 1415.01 3 -5 -7 -1 2414.47 261.480 1 -5 7 -1 2932.93 316.816 4 -5 7 -1 2762.00 266.288 3 5 7 1 2717.82 201.916 7 -5 -7 -1 2734.77 184.847 6 5 7 1 3125.81 214.432 2 -5 -7 -1 2944.03 317.016 5 5 -7 1 2736.59 212.147 1 5 7 1 2543.24 283.415 3 5 -7 1 2662.09 294.195 2 5 7 2 434.852 103.236 2 -5 7 -2 289.996 169.204 4 5 -7 2 407.914 102.352 1 -5 -7 -2 412.092 133.851 1 5 7 2 551.927 88.7878 7 5 7 2 532.701 165.381 3 5 -7 2 385.113 136.385 2 5 7 3 510.230 118.410 2 -5 7 -3 565.861 219.532 4 5 7 3 566.235 74.4577 7 -5 7 -3 547.262 139.977 3 5 -7 3 622.825 113.176 1 -5 -7 -3 572.797 128.693 4 5 7 3 389.425 145.484 3 5 -7 3 432.073 152.749 2 -5 -7 -3 880.199 176.686 1 -5 7 -4 210.763 201.133 4 -5 -7 -4 377.730 105.810 4 -5 -7 -4 22.8795 106.333 1 5 -7 4 109.467 38.2651 5 5 7 4 346.455 143.396 3 5 -7 4-14.7451 117.904 2 5 -7 4 149.563 78.3080 1 -5 7 -5 30045.3 1206.82 4 -5 -7 -5 27678.2 856.632 4 5 -7 5 27764.7 777.975 1 5 -7 5 27815.5 1013.69 2 5 -7 5 28859.4 675.898 5 5 7 5 26996.6 1011.55 3 -5 -7 -5 26864.9 956.976 1 -5 7 -6 10204.8 714.223 4 -5 -7 -6 9087.32 452.524 4 5 -7 6 9523.01 409.202 1 5 -7 6 10346.4 592.758 2 5 7 6 8396.10 550.908 3 5 -7 6 9822.90 373.398 5 -5 -7 -6 9389.95 534.326 1 -5 7 -7 38082.7 1500.14 4 -5 -7 -7 39917.5 1079.05 4 5 -7 7 36129.9 1239.16 2 5 7 7 35076.0 1244.36 3 5 -7 7 39801.1 969.415 5 -5 -7 -7 37791.5 1197.07 1 -5 7 -8 5796.02 604.208 4 -5 -7 -8 5908.21 368.775 4 5 7 8 6106.61 489.382 3 5 -7 8 6310.87 480.964 2 -5 -7 -8 6271.44 447.558 1 5 -7 8 6541.02 351.971 5 -5 7 -9 39698.7 1639.12 4 -5 -7 -9 39040.7 1101.84 4 -5 -7 -9 35395.1 1203.02 1 5 7 9 38152.0 1342.14 3 5 -7 9 34733.3 1257.32 2 5 -7 9 38698.1 1059.12 5 -5 7 -10 4738.84 611.917 4 -5 -7 -10 4490.81 342.947 4 -5 -7 -10 5501.37 439.086 1 5 7 10 4976.29 471.034 3 5 -7 10 4820.95 445.421 2 5 -7 10 5011.91 349.365 5 5 -7 11 69.2610 155.616 2 -5 7 -11 266.559 318.692 4 -5 -7 -11 75.8254 127.642 1 5 7 11 134.379 159.085 3 5 -7 11 178.981 113.581 5 -5 7 -12 3726.87 601.257 4 -5 -7 -12 4205.78 413.164 1 5 7 12 4921.83 496.315 3 5 -7 12 4358.60 450.436 2 -5 -7 -13 5288.67 475.587 1 5 7 13 5698.54 549.853 3 5 -7 13 5991.29 529.586 2 5 -7 14 56.6021 149.725 2 -5 -7 -14 133.028 162.464 1 -5 -7 -15 3943.61 430.452 1 -5 8 17 4508.23 505.143 5 5 8 -16 5387.84 633.513 6 -5 8 16 5284.47 531.116 5 5 8 -15 1399.20 304.014 3 5 8 -15 1341.32 363.098 6 5 -8 -15 1112.55 263.105 1 -5 8 15 1262.09 290.125 5 5 8 -14 868.338 255.294 3 5 8 -14 693.569 274.148 6 -5 -8 14 670.573 242.066 5 5 -8 -14 1002.03 254.779 1 -5 8 14 832.226 229.707 5 5 -8 -13 9343.29 656.349 1 5 8 -13 8322.26 616.256 3 -5 8 13 9409.62 519.268 3 -5 -8 13 8801.85 672.835 5 -5 8 13 9201.24 611.045 5 5 8 -12 616.630 200.058 3 -5 8 12 1069.12 177.659 3 -5 -8 12 1278.03 285.033 5 5 -8 -12 650.477 214.903 1 5 8 -11 2120.98 304.611 3 -5 8 11 1655.63 211.263 3 -5 -8 11 2090.33 346.661 5 5 -8 -11 1780.39 283.584 1 5 8 -10 19020.7 883.911 3 -5 8 10 20254.8 651.088 4 5 -8 -10 17841.3 849.999 1 -5 8 10 20365.4 731.212 3 -5 -8 10 20009.5 971.866 5 5 8 -9 12217.4 687.419 3 -5 8 9 14059.1 537.509 4 5 -8 -9 12808.6 678.958 1 -5 8 9 13615.8 571.614 3 -5 -8 9 13425.1 774.554 5 5 8 -8 3659.33 373.605 3 -5 8 8 3680.97 272.536 4 5 -8 -8 3502.24 343.908 1 -5 8 8 3612.10 284.098 3 -5 -8 8 3604.91 404.498 5 5 8 -7 33077.5 1153.93 3 -5 8 7 35384.5 974.036 4 5 -8 -7 32598.7 1098.41 1 -5 8 7 32900.4 902.076 5 -5 -8 7 32374.2 1217.51 5 -5 8 7 33493.2 964.187 3 5 8 -6 6815.88 483.129 3 -5 8 6 7894.96 421.914 4 5 -8 -6 6489.41 438.096 1 -5 8 6 7759.27 353.665 5 -5 -8 6 7592.03 543.721 5 -5 8 6 7639.01 403.951 3 -5 8 5 2627.14 256.254 4 5 -8 -5 2972.62 285.408 1 -5 8 5 2191.07 247.630 1 -5 8 5 2671.66 186.686 5 -5 -8 5 2950.18 346.317 5 -5 8 5 2550.04 234.569 3 5 8 -5 3137.78 325.083 3 -5 8 4 1797.95 203.129 3 5 8 -4 1352.47 222.809 3 -5 8 4 1603.01 212.870 4 5 -8 -4 1644.78 216.685 1 -5 8 4 1488.92 201.406 1 -5 8 4 1942.98 145.543 5 -5 -8 4 1795.87 278.748 5 5 8 -3 78.6485 123.563 3 -5 8 3 302.905 111.369 3 -5 8 3 382.698 136.241 4 5 -8 -3 190.301 99.1175 1 -5 -8 3 252.577 156.229 5 5 -8 -3 489.096 175.245 2 -5 8 2 57710.2 1411.36 3 -5 8 2 57388.0 1523.81 4 5 -8 -2 55105.6 1577.60 2 5 -8 -2 55264.1 1451.28 4 -5 -8 2 59726.1 1279.72 6 5 -8 -2 53890.9 1389.80 1 -5 -8 2 55622.6 1612.23 5 5 8 -2 53839.3 1533.16 3 -5 8 1 12789.4 569.489 3 -5 8 1 12888.5 643.553 4 5 -8 -1 12433.5 601.384 4 5 -8 -1 13138.0 663.092 2 5 8 -1 13109.7 378.888 2 -5 -8 1 12998.2 444.457 6 -5 -8 1 13253.5 685.426 5 5 -8 -1 13193.4 555.935 1 -5 -8 1 12713.1 648.746 1 5 8 -1 13829.6 670.021 3 -5 8 0 29149.3 1067.77 4 -5 8 0 31572.3 990.100 3 5 -8 0 29806.2 1057.03 2 5 8 0 31721.0 886.981 7 -5 -8 0 31589.8 751.714 6 -5 -8 0 30731.6 1061.01 1 -5 -8 0 30676.0 1105.40 5 5 8 0 31908.9 739.243 2 5 -8 0 30462.0 906.237 1 5 8 0 29610.5 1052.71 3 5 -8 1 884.946 146.439 1 -5 8 -1 1268.93 249.320 4 -5 8 -1 1229.38 200.742 3 5 8 1 804.727 125.948 7 -5 -8 -1 782.110 93.4247 6 5 -8 1 775.301 174.011 2 -5 -8 -1 729.476 180.073 1 5 8 1 746.525 184.183 3 5 8 1 937.695 116.798 2 -5 8 -2 13476.1 735.271 4 -5 8 -2 11880.9 596.001 3 5 -8 2 12397.3 638.565 2 -5 -8 -2 11281.3 605.982 1 5 8 2 12425.5 414.479 7 -5 -8 -2 12897.6 382.159 6 5 8 2 12330.5 463.614 2 5 8 2 12094.0 643.535 3 5 -8 2 11580.1 498.438 1 5 -8 3 11904.3 501.079 1 -5 8 -3 12447.7 734.407 4 -5 -8 -3 12240.5 628.997 1 -5 -8 -3 12627.8 553.976 4 5 -8 3 12364.2 638.983 2 5 8 3 12385.8 352.430 7 5 8 3 12773.6 504.681 2 5 8 3 12612.9 664.598 3 -5 -8 -4 4488.00 376.945 1 -5 8 -4 4079.57 458.164 4 5 -8 4 4523.24 298.195 1 -5 -8 -4 4115.10 302.298 4 5 -8 4 3905.20 367.721 2 5 -8 4 4054.44 185.396 5 5 8 4 4236.49 398.035 3 -5 8 -5 12128.9 782.627 4 -5 -8 -5 11400.6 503.706 4 5 -8 5 11225.7 483.571 1 5 -8 5 10644.3 607.376 2 5 -8 5 11828.4 379.628 5 5 8 5 10310.8 629.166 3 -5 -8 -5 10811.0 599.361 1 -5 8 -6 7665.22 650.325 4 -5 -8 -6 7638.40 405.213 4 5 -8 6 7476.14 389.389 1 5 -8 6 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921.814 3 -6 5 13 24128.2 851.632 4 6 -5 -13 22741.5 986.497 7 -6 -5 13 22963.4 1078.09 5 -6 5 13 24385.9 997.217 5 6 5 -12 4181.05 365.499 3 6 -5 -12 4252.37 405.062 7 -6 5 12 4649.15 348.026 4 -6 -5 12 4503.17 468.272 5 -6 5 12 4809.01 407.895 5 6 5 -11 23485.4 880.304 3 -6 5 11 23925.1 830.055 4 -6 -5 11 22696.2 880.919 2 -6 5 11 24592.5 658.031 3 6 -5 -11 23095.6 960.415 7 6 5 -11 21228.9 781.522 3 -6 -5 11 23588.1 1038.94 5 -6 5 11 23452.5 896.595 5 6 5 -10 334.663 125.950 3 -6 5 10 652.186 155.616 4 6 5 -10 289.428 119.433 3 6 -5 -10 536.436 185.642 7 -6 5 10 442.980 83.9169 3 6 -5 -10 582.702 162.705 1 -6 -5 10 797.070 221.583 5 -6 -5 10 533.645 155.496 2 -6 5 10 612.037 154.163 5 6 5 -9 75096.0 1795.83 3 6 -5 -9 72454.2 1835.20 1 -6 5 9 74864.5 1777.50 4 6 -5 -9 79940.4 1986.89 7 -6 5 9 76940.3 1469.35 3 -6 -5 9 77826.3 1796.01 2 -6 -5 9 75682.0 2040.07 5 -6 5 9 75913.3 1783.44 5 6 5 -8 3293.92 283.035 3 6 -5 -8 3047.94 284.095 1 -6 5 8 2902.91 275.467 4 6 5 -8 2590.57 327.467 7 -6 5 8 3088.09 163.380 3 -6 -5 8 2981.83 264.747 2 -6 -5 8 2824.93 349.081 5 -6 5 8 3497.47 276.824 5 6 5 -7 2053.69 222.055 3 -6 5 7 1436.73 185.261 1 -6 5 7 1562.59 204.093 4 6 5 -7 1489.90 249.505 7 -6 5 7 1592.33 110.430 3 -6 -5 7 1964.38 279.601 5 6 -5 -7 1345.33 185.354 1 -6 5 7 1708.50 178.286 5 -6 -5 7 1994.09 208.135 2 6 -5 -6 19653.3 696.651 1 -6 5 6 19422.0 731.345 4 -6 -5 6 20735.3 831.519 6 -6 -5 6 19896.3 675.274 2 -6 5 6 21098.3 486.361 3 -6 -5 6 21037.6 861.279 5 6 5 -6 19715.3 827.522 7 -6 5 6 20174.9 603.921 5 -6 5 6 20395.2 702.603 1 6 5 -6 19887.2 704.353 3 -6 5 5 4057.33 275.378 1 6 -5 -5 4178.93 281.647 1 -6 5 5 4628.92 337.597 4 6 -5 -5 3863.15 382.000 2 -6 -5 5 4398.03 349.798 6 -6 -5 5 4159.36 370.834 5 -6 -5 5 4791.51 298.604 2 6 5 -5 4749.52 379.134 7 -6 5 5 4226.17 181.875 3 -6 5 5 4316.33 210.156 5 6 5 -5 3959.24 290.594 3 -6 5 4 18051.3 595.520 1 6 -5 -4 18425.4 598.585 1 -6 5 4 18775.3 713.509 4 6 5 -4 19237.9 638.598 2 6 -5 -4 18978.5 822.960 2 6 5 -4 18018.9 727.443 7 -6 -5 4 19190.6 726.796 6 -6 -5 4 17109.2 743.509 5 -6 5 4 16181.8 368.627 5 -6 -5 4 19150.0 621.203 2 -6 5 4 18638.1 469.334 3 6 5 -4 17942.1 647.656 3 6 -5 -3 86679.7 1761.07 1 -6 5 3 88771.2 2014.92 4 -6 5 3 86915.3 1770.61 1 6 5 -3 90233.8 1863.05 2 6 -5 -3 85359.1 2129.05 2 -6 5 3 87912.5 1669.04 3 6 5 -3 84845.7 1975.23 7 -6 -5 3 86563.5 1954.80 6 -6 -5 3 88080.2 2076.48 5 6 5 -3 85739.8 1892.86 3 -6 5 3 91817.4 1673.69 3 -6 5 2 1898.97 150.827 3 6 -5 -2 2176.70 164.194 1 -6 -5 2 1794.75 204.760 3 -6 5 2 2103.00 249.263 4 6 5 -2 2080.50 224.658 7 6 5 -2 1870.63 189.582 2 -6 5 2 2179.44 160.966 3 -6 5 2 1941.67 158.401 1 -6 -5 2 1770.79 204.810 6 -6 -5 2 1960.38 248.952 5 6 5 -2 1974.10 206.682 3 6 -5 -2 2010.96 274.024 2 -6 -5 1 2683.00 244.313 3 -6 5 1 2473.73 188.923 3 6 -5 -1 2543.27 158.887 1 -6 5 1 2168.01 264.279 4 6 5 -1 2404.31 227.140 7 -6 5 1 2123.60 173.240 3 6 5 -1 2309.53 210.951 2 -6 -5 1 2031.07 254.698 5 6 5 -1 2250.56 221.022 3 6 -5 -1 2599.23 291.568 2 6 -5 0 1689.01 111.722 1 -6 -5 0 1561.14 195.562 3 -6 5 0 1594.99 241.701 4 -6 5 0 1440.97 155.326 3 6 5 0 1260.08 165.165 7 6 5 0 1774.54 191.325 2 -6 -5 0 1415.12 188.781 1 -6 -5 0 1573.27 221.241 5 6 5 0 1405.05 184.305 3 6 -5 0 1586.93 239.766 2 -6 -5 -1 4336.96 320.587 3 6 -5 1 4130.97 148.116 1 -6 5 -1 4895.64 395.055 4 6 5 1 4797.18 286.344 7 -6 5 -1 4520.52 281.269 3 -6 -5 -1 5377.37 341.208 1 6 -5 1 5386.39 415.044 2 6 5 1 4866.08 317.170 2 6 5 1 4773.13 333.521 3 -6 -5 -2 177.961 119.509 3 -6 -5 -2 190.204 113.817 1 -6 5 -2-3.02194 134.007 4 -6 -5 -2 271.349 117.481 4 -6 5 -2 368.754 108.954 3 6 5 2 18.2666 92.5223 3 6 -5 2-50.8034 116.314 2 6 5 2 103.378 89.3155 2 6 5 3 1179.50 183.169 2 -6 -5 -3 889.734 170.952 3 -6 5 -3 907.051 219.727 4 -6 -5 -3 908.819 173.153 4 -6 5 -3 1361.64 184.079 3 -6 -5 -3 916.019 158.659 1 6 5 3 1407.05 196.465 3 6 -5 3 1147.95 219.846 2 -6 5 -4 3072.66 355.842 4 -6 -5 -4 3791.82 313.651 4 -6 5 -4 3442.17 289.071 3 6 -5 4 3032.54 336.279 2 6 5 4 3454.40 312.212 3 6 5 4 3501.96 310.157 2 -6 -5 -4 3469.22 281.042 1 -6 5 -5 11255.3 686.921 4 -6 -5 -5 10600.4 539.483 4 -6 5 -5 11387.7 559.427 3 6 -5 5 11053.5 625.255 2 6 5 5 11753.3 591.644 3 6 5 5 11262.0 584.664 2 6 -5 5 11330.8 327.420 5 -6 -5 -5 11042.3 516.050 1 -6 5 -6 79.8500 190.575 4 -6 -5 -6 8.67615 108.687 4 6 5 6 182.389 139.357 3 -6 -5 -6 358.163 130.956 1 6 -5 6 181.962 61.4686 5 -6 5 -7 78858.3 2159.72 4 -6 -5 -7 76526.7 1783.00 4 6 5 7 76067.7 1876.89 3 -6 -5 -7 77707.9 1712.85 1 6 -5 7 75042.7 1949.73 2 6 -5 7 82198.6 1500.47 5 -6 5 -8 5194.61 548.286 4 -6 -5 -8 5239.28 396.797 4 -6 -5 -8 5358.48 371.835 1 6 5 8 5306.44 440.011 3 6 -5 8 4798.33 445.535 2 6 -5 8 5420.73 307.823 5 6 -5 9-84.5546 144.621 2 -6 5 -9 138.169 243.850 4 -6 -5 -9 325.748 154.147 4 -6 -5 -9 72.0079 95.6609 1 6 5 9 63.6360 142.232 3 6 -5 9 62.1356 71.6963 5 -6 5 -10 16116.5 1001.98 4 -6 -5 -10 13775.6 694.961 4 -6 -5 -10 14263.6 652.246 1 6 5 10 14041.0 777.558 3 6 -5 10 13536.8 783.025 2 6 -5 10 14652.9 605.077 5 6 -5 11 406.500 201.184 2 -6 5 -11 115.143 266.123 4 -6 -5 -11 112.742 113.926 1 -6 -5 -11 36.3624 141.832 4 6 5 11 294.654 179.003 3 6 -5 11 205.118 109.144 5 -6 5 -12 8331.98 800.339 4 -6 -5 -12 8525.49 584.872 4 -6 -5 -12 8946.72 538.488 1 6 5 12 8143.76 620.467 3 6 -5 12 8374.70 642.240 2 -6 5 -13 18405.7 1222.40 4 -6 -5 -13 16458.4 770.534 1 6 5 13 18032.7 961.352 3 6 -5 13 15600.0 909.162 2 6 -6 -17 18157.3 931.934 7 -6 6 17 16891.2 968.688 5 6 -6 -16 34572.6 1310.52 7 -6 6 16 32267.7 1333.03 5 6 6 -15 4942.76 461.021 3 -6 -6 15 4735.53 518.412 5 -6 6 15 4673.74 472.663 5 6 6 -14 155.669 135.060 3 6 -6 -14 289.512 195.768 7 -6 -6 14 323.619 209.880 5 -6 6 14 344.342 171.401 5 6 6 -13 4515.98 414.839 3 -6 6 13 5609.66 371.181 4 6 -6 -13 4905.30 455.137 7 -6 -6 13 4748.49 505.046 5 -6 6 13 4689.47 429.714 5 6 6 -12 1303.47 223.400 3 -6 6 12 1684.69 209.605 4 6 -6 -12 1476.68 262.602 1 -6 -6 12 1611.25 312.145 5 -6 6 12 1645.25 250.551 5 6 -6 -11 7338.94 517.654 1 6 6 -11 7389.40 498.075 3 -6 6 11 7164.12 421.593 4 -6 6 11 7711.15 356.500 3 -6 -6 11 8420.04 620.729 5 -6 6 11 7563.49 489.734 5 6 6 -10 18179.2 787.681 3 6 -6 -10 19151.0 826.921 1 -6 6 10 19417.1 722.745 4 -6 6 10 20002.4 593.520 3 -6 -6 10 18495.5 921.050 5 -6 6 10 20848.8 794.666 5 6 6 -9 46.9135 104.632 3 -6 6 9-20.5219 101.064 4 -6 6 9 186.317 73.0030 3 -6 -6 9-50.6644 137.258 5 6 -6 -9 149.546 120.134 1 -6 6 9 119.969 90.1536 5 -6 -6 9 153.537 109.064 2 6 6 -8 110230. 2434.38 3 6 -6 -8 105598. 2409.14 1 -6 6 8 109273. 2347.20 4 -6 -6 8 108040. 2248.63 2 -6 6 8 114743. 2084.38 3 -6 -6 8 109292. 2662.85 5 -6 6 8 110981. 2289.30 5 6 6 -7 5371.63 381.122 3 -6 6 7 5818.58 384.141 1 6 -6 -7 5676.28 382.701 1 -6 6 7 5748.53 376.384 4 -6 -6 7 6321.13 464.832 6 -6 -6 7 5190.53 314.307 2 -6 6 7 5520.95 254.231 3 -6 -6 7 5788.87 471.979 5 -6 6 7 5867.06 322.533 5 -6 6 6 35209.0 1034.73 1 6 -6 -6 35293.9 1039.03 1 -6 6 6 35295.0 1062.72 4 6 6 -6 35266.9 1197.41 7 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9102.18 383.301 1 6 -6 -2 9335.86 572.287 2 6 6 -2 9623.67 414.647 2 6 6 -2 10108.7 497.088 7 -6 -6 2 9455.09 458.387 6 -6 -6 2 9593.78 559.055 5 6 6 -2 10383.0 510.216 3 -6 6 1 69383.3 1488.64 3 -6 -6 1 68528.9 1644.97 3 -6 6 1 68398.1 1732.98 4 6 -6 -1 66832.8 1385.16 1 -6 6 1 64310.0 1469.11 3 6 -6 -1 67302.0 1789.70 2 6 6 -1 65378.4 1557.78 7 6 6 -1 68691.6 1492.92 2 -6 -6 1 67835.0 1540.95 6 -6 -6 1 63899.4 1721.83 5 6 6 -1 66433.0 1631.51 3 -6 -6 0 11670.2 553.671 3 -6 6 0 11651.1 612.934 4 -6 6 0 10674.1 469.788 3 6 -6 0 11177.4 375.110 1 -6 6 0 12175.1 492.531 3 6 6 0 11363.4 482.859 7 6 -6 0 11164.4 619.095 2 6 6 0 11530.6 476.240 2 -6 -6 0 10111.9 572.085 5 -6 -6 0 10521.8 534.154 1 6 6 0 11561.9 552.673 3 -6 -6 -1 667.745 147.606 3 -6 6 -1 1167.90 233.062 4 6 -6 1 457.765 73.5601 1 6 6 1 425.014 108.246 7 -6 6 -1 611.817 128.317 3 6 6 1 526.805 143.498 3 6 -6 1 374.663 146.108 2 6 6 1 546.486 123.154 2 -6 -6 -1 496.149 148.407 1 -6 6 -2 84707.1 2130.20 4 -6 -6 -2 85126.5 1931.96 1 -6 -6 -2 82699.5 1948.73 4 -6 6 -2 81470.7 1854.30 3 6 -6 2 82461.5 1527.80 1 6 6 2 85062.0 1702.39 7 6 -6 2 82568.2 2077.98 2 6 6 2 83696.7 1850.18 2 6 6 2 84098.5 1979.96 3 -6 -6 -3 8933.89 478.886 1 -6 6 -3 9508.40 608.943 4 -6 -6 -3 8240.03 471.300 4 -6 6 -3 8214.94 452.217 3 6 -6 3 7911.25 249.758 1 6 -6 3 9384.85 574.950 2 6 6 3 9480.06 477.660 2 6 6 3 8868.55 508.062 3 -6 6 -4 6945.77 539.684 4 -6 -6 -4 7404.41 443.023 4 6 -6 4 6586.00 490.221 2 6 -6 4 6786.15 216.140 1 6 6 4 7753.08 487.137 3 6 6 4 7076.79 437.117 2 -6 -6 -4 7031.76 426.087 1 -6 6 -5 11854.1 733.114 4 -6 -6 -5 11743.6 560.920 4 6 -6 5 11859.5 661.859 2 6 6 5 12249.8 629.964 3 6 6 5 11689.8 586.787 2 6 -6 5 10226.5 288.703 1 -6 -6 -5 11697.6 560.948 1 -6 6 -6 370.188 221.833 4 -6 -6 -6 479.041 141.807 4 6 -6 6 542.619 64.9381 1 6 6 6 671.484 180.057 3 6 -6 6 446.345 71.3078 5 -6 -6 -6 500.457 146.797 1 6 -6 6 391.065 171.836 2 -6 6 -7 6626.39 608.153 4 -6 -6 -7 7232.78 449.139 4 6 6 7 6994.03 505.691 3 6 -6 7 7568.69 545.930 2 -6 -6 -7 6570.52 435.834 1 6 -6 7 7408.64 319.309 5 -6 6 -8 4645.31 529.885 4 -6 -6 -8 4108.68 347.295 4 -6 -6 -8 4817.86 372.994 1 6 6 8 4039.96 402.251 3 6 -6 8 4131.46 421.318 2 6 -6 8 4552.10 277.923 5 6 -6 9 2257.35 334.142 2 -6 6 -9 1306.83 361.740 4 -6 -6 -9 2201.32 260.596 4 -6 -6 -9 1356.55 223.084 1 6 6 9 1808.53 292.363 3 6 -6 10 2529.60 349.239 2 -6 6 -10 4028.04 561.614 4 -6 -6 -10 2593.82 298.215 4 -6 -6 -10 2162.79 272.450 1 6 6 10 2416.31 341.012 3 -6 6 -11 7951.48 769.208 4 -6 -6 -11 7186.54 502.303 1 6 6 11 7616.10 592.491 3 6 -6 11 7522.36 598.237 2 -6 6 -12 42787.3 1884.82 4 -6 -6 -12 38957.3 1288.99 1 6 6 12 40151.8 1492.40 3 6 -6 12 37727.1 1452.70 2 -6 -6 -13 872.946 212.789 1 6 -6 13 835.476 244.593 2 -6 7 17 13012.3 854.341 5 -6 7 16 40621.0 1531.03 5 6 7 -15 393.941 183.033 3 -6 7 15 250.776 197.178 5 6 -7 -14 5069.15 488.615 1 6 7 -14 4667.09 446.734 3 -6 -7 14 4666.11 502.594 5 -6 7 14 4678.57 454.342 5 6 7 -13 1007.36 227.606 3 -6 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14245.7 615.533 3 -8 6 6 0.40600 132.406 4 8 6 -6 341.491 169.048 7 -8 -6 6 43.0157 149.913 5 8 -6 -6 264.415 181.848 2 8 6 -6 234.061 104.190 3 -8 6 5 4691.87 417.961 4 8 -6 -5 4760.11 478.856 2 8 6 -5 3963.37 395.624 7 -8 -6 5 4670.91 437.470 5 8 6 -5 4550.28 334.808 3 -8 6 4 1733.88 274.935 4 8 6 -4 1506.19 243.824 7 -8 -6 4 1860.40 289.954 5 8 6 -4 1594.13 209.708 2 8 -6 -4 2013.20 330.694 2 8 6 -4 1681.51 211.726 3 -8 6 3 2435.01 328.819 4 8 6 -3 2424.80 256.044 2 8 6 -3 2506.75 298.460 7 -8 -6 3 2482.12 332.002 5 8 6 -3 2647.03 262.009 3 8 -6 -3 2422.76 354.987 2 -8 6 2 67138.7 1890.90 4 8 -6 -2 70055.9 2022.01 2 8 6 -2 69924.8 1683.47 2 8 6 -2 66091.2 1728.89 7 -8 -6 2 65192.8 1852.77 5 8 6 -2 65948.6 1653.88 3 -8 6 1 3110.89 218.192 3 -8 6 1 3054.67 369.449 4 8 6 -1 3572.34 312.077 2 8 6 -1 3159.45 300.093 7 -8 -6 1 3322.76 318.933 1 -8 -6 1 2320.22 304.766 5 8 6 -1 3000.86 285.871 3 8 -6 -1 3564.84 413.837 2 -8 6 0 61017.3 1376.61 3 -8 6 0 55914.2 1745.48 4 -8 -6 0 56405.6 1703.24 4 8 -6 0 60368.6 1837.85 2 -8 -6 0 58732.8 1554.02 1 8 6 0 58388.6 1502.80 7 8 6 0 59237.2 1541.78 2 8 6 0 55757.4 1521.78 3 -8 6 -1 5579.72 506.970 4 -8 -6 -1 5711.92 401.445 1 -8 -6 -1 4916.05 441.378 4 8 -6 1 5566.12 513.172 2 8 6 1 6319.05 427.001 2 8 6 1 5730.25 413.502 3 -8 6 -2 1843.64 327.433 4 -8 -6 -2 1491.44 252.245 4 8 6 2 1495.84 223.715 3 -8 -6 -2 1152.90 193.705 1 8 -6 2 1427.21 292.339 2 8 6 2 1666.18 240.709 2 -8 6 -3 12127.7 774.892 4 -8 -6 -3 11103.2 657.211 4 8 -6 3 12857.7 779.008 2 8 6 3 11852.2 632.972 2 8 6 3 11784.8 628.881 3 -8 -6 -3 11880.4 580.402 1 -8 6 -4 4882.24 517.274 4 -8 -6 -4 4421.75 417.026 4 8 -6 4 5572.93 518.139 2 8 6 4 5517.34 439.067 2 8 6 4 4587.08 404.965 3 -8 -6 -4 5767.23 398.814 1 -8 6 -5 34787.2 1420.16 4 -8 -6 -5 31045.4 1164.30 4 8 -6 5 32874.8 1323.51 2 8 6 5 32316.5 1170.14 3 8 6 5 29705.3 1143.79 2 -8 -6 -5 32849.6 1043.27 1 8 6 6 328.261 176.365 2 -8 6 -6 40.8443 221.231 4 -8 -6 -6 463.079 190.452 4 8 6 6 266.193 174.118 3 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1163.30 253.529 5 8 -7 -5 734.351 236.211 2 8 7 -5 604.187 147.165 3 -8 7 4 5276.35 453.776 4 8 7 -4 5733.76 368.613 2 8 -7 -4 5486.87 526.893 2 8 7 -4 5569.40 453.124 7 -8 -7 4 5258.14 497.236 5 8 7 -4 5184.16 390.411 3 -8 7 3 275.846 183.980 4 8 7 -3 85.0957 110.701 7 -8 -7 3 320.978 191.036 5 8 7 -3 187.429 98.8088 2 8 -7 -3 23.1059 178.420 2 8 7 -3 367.287 129.132 3 -8 7 2 30275.7 1166.78 4 8 -7 -2 29890.1 1243.75 2 8 7 -2 29953.1 945.017 2 8 7 -2 31326.5 1050.20 7 -8 -7 2 26376.3 1120.86 5 -8 -7 2 30360.5 1091.79 1 8 7 -2 28381.2 1008.01 3 -8 7 1 35160.2 1313.15 4 8 -7 -1 36181.4 1391.20 2 8 7 -1 37991.1 1103.89 2 8 7 -1 38448.2 1153.13 7 -8 -7 1 35521.4 1203.40 1 -8 -7 1 37019.7 1332.31 5 8 7 -1 36114.0 1176.45 3 -8 7 0 1625.92 293.149 4 -8 7 0 1320.52 178.405 3 -8 -7 0 855.313 217.118 4 8 7 0 1210.81 196.015 7 -8 -7 0 1147.50 220.483 1 8 7 0 1135.61 204.127 3 8 -7 0 1164.92 287.494 2 8 7 0 836.701 158.244 2 -8 -7 -1 980.296 199.701 1 -8 7 -1 868.120 248.983 4 -8 7 -1 835.718 162.560 3 -8 -7 -1 828.620 208.762 4 8 7 1 338.018 148.156 3 8 -7 1 833.451 238.850 2 8 7 1 536.387 140.443 2 -8 7 -2 663.241 251.024 4 -8 -7 -2 779.052 196.446 4 8 7 2 426.413 150.793 3 -8 -7 -2 529.370 160.870 1 8 -7 2 767.723 250.720 2 8 7 2 886.096 177.602 2 -8 7 -3 1537.02 332.674 4 -8 -7 -3 1302.79 238.917 4 -8 -7 -3 1111.16 198.705 1 8 7 3 1449.41 243.139 3 8 -7 3 1505.71 297.404 2 8 7 3 1141.46 205.324 2 -8 -7 -4 195.638 135.236 1 -8 -7 -4 181.660 140.385 4 8 7 4 152.064 156.372 3 8 -7 4 29.5997 160.003 2 8 7 4 90.1455 104.906 2 -8 7 -5 2140.68 387.671 4 -8 -7 -5 1995.08 288.418 4 8 7 5 1907.68 298.418 3 8 -7 5 2373.74 370.964 2 -8 -7 -5 1969.19 263.223 1 8 7 5 1995.92 288.597 2 -8 7 -6 28614.4 1374.93 4 -8 -7 -6 29284.1 1124.68 4 8 -7 6 31533.6 1322.92 2 8 7 6 28489.6 1162.90 3 8 7 6 31210.6 1179.58 2 -8 -7 -6 32360.8 1089.61 1 8 7 7 45.4684 174.493 2 -8 7 -7-226.805 229.583 4 -8 -7 -7-20.5161 144.138 4 8 7 7-58.2318 149.461 3 8 -7 7 10.8568 157.770 2 -8 -7 -8 24451.7 1024.95 4 8 -7 8 24884.0 1186.21 2 8 7 8 24379.6 1112.65 3 8 7 8 24958.3 1123.10 2 8 7 9 9252.03 681.462 3 8 7 9 9681.87 709.190 2 8 7 10 1362.95 315.925 2 8 8 -11 514.394 256.819 7 8 8 -10 24467.5 1241.68 7 -8 -8 10 24133.4 1193.70 5 -8 8 9 17374.7 799.960 4 8 8 -9 17447.3 1010.03 7 -8 -8 9 17520.8 984.918 5 -8 8 8 386.284 152.570 4 8 8 -8 449.750 226.687 7 -8 -8 8 542.103 227.823 5 8 -8 -8 498.663 140.155 1 -8 8 7 1471.32 249.410 4 8 8 -7 1072.18 279.274 7 -8 -8 7 1397.36 298.851 5 8 8 -7 1351.59 227.872 3 -8 8 6 13458.6 724.937 4 8 8 -6 13294.0 780.350 7 -8 -8 6 14727.5 860.376 5 8 8 -6 13385.6 699.180 3 -8 8 5 1068.92 235.166 4 8 8 -5 920.497 230.651 7 -8 -8 5 1067.46 271.465 5 8 -8 -5 983.708 269.500 2 8 8 -5 871.764 199.111 3 -8 8 4-32.8345 131.021 4 8 8 -4 143.277 147.888 7 -8 -8 4-32.7784 168.005 5 8 -8 -4 162.922 186.930 2 8 8 -4 77.5204 118.134 3 -8 8 3 6327.27 518.037 4 8 -8 -3 6016.49 559.202 2 8 8 -3 6334.39 467.971 7 -8 -8 3 5746.77 527.757 5 8 8 -3 6429.20 475.165 3 -8 8 2 5691.70 504.424 4 8 -8 -2 6103.21 551.627 2 8 8 -2 5689.73 423.383 7 -8 -8 2 5505.57 515.273 5 -8 -8 2 5433.37 460.216 1 8 8 -2 5306.40 437.070 3 -8 8 1 3160.73 396.742 4 8 8 -1 3251.51 302.764 7 -8 -8 1 3155.85 351.008 1 -8 -8 1 3115.35 428.632 5 8 8 -1 3116.64 343.402 3 8 -8 -1 2912.50 398.414 2 -8 8 0 2272.09 353.321 4 -8 -8 0 2113.90 315.515 4 -8 -8 0 2066.62 291.141 1 8 8 0 1941.61 278.858 3 8 -8 0 2174.78 352.019 2 -8 8 -1 9688.41 691.995 4 -8 -8 -1 9179.03 579.893 1 -8 -8 -1 8571.64 589.988 4 8 -8 1 7719.91 623.366 2 8 8 1 7989.93 552.554 3 -8 8 -2 2474.75 393.884 4 -8 8 -2 2988.13 305.406 3 -8 -8 -2 3013.98 354.951 4 8 8 2 2329.36 309.087 3 -8 -8 -2 2762.58 324.303 1 8 -8 2 3001.76 406.180 2 -8 -8 -3 4625.96 409.091 1 -8 8 -3 4936.76 541.983 4 -8 -8 -3 5266.48 453.775 4 8 -8 3 5217.96 525.980 2 8 8 3 4913.01 454.814 3 -8 8 -4 32914.9 1419.63 4 -8 -8 -4 27402.0 1088.79 4 8 -8 4 27888.7 1241.44 2 8 8 4 30723.9 1068.72 2 8 8 4 29018.0 1159.23 3 -8 -8 -4 29626.4 1094.08 1 -8 -8 -5 576.276 186.399 1 -8 8 -5 370.858 247.783 4 -8 -8 -5 505.376 184.121 4 8 8 5 239.811 171.029 3 8 -8 5 572.300 223.276 2 8 8 5 773.123 187.477 2 -8 8 -6 813.641 320.376 4 -8 -8 -6 128.453 131.135 4 8 8 6 522.863 203.167 3 -8 -8 -6 411.467 169.786 1 8 -8 6 836.199 256.639 2 8 8 6 559.748 178.006 2 8 -8 7 22080.0 1106.23 2 8 8 7 20587.1 1019.41 3 8 8 7 19679.9 940.441 2 8 8 8 8804.36 669.367 3 8 8 8 9031.25 649.154 2 8 9 -10 833.558 261.686 7 8 9 -9 4858.04 552.049 7 8 9 -8 1472.36 334.215 7 -8 -9 8 1174.52 279.774 5 -8 9 7 5881.32 472.441 4 8 9 -7 5659.03 556.572 7 -8 -9 7 6488.12 597.066 5 8 9 -7 6147.84 507.231 3 -8 9 6 3252.36 367.110 4 8 9 -6 2620.44 370.716 7 -8 -9 6 3600.79 450.504 5 8 9 -6 3559.52 386.877 3 -8 9 5 12588.0 725.189 4 8 9 -5 12045.6 730.128 7 -8 -9 5 11670.8 790.250 5 8 9 -5 10694.9 661.962 3 -8 9 4 21508.5 982.948 4 8 -9 -4 20671.9 1086.06 2 8 9 -4 22703.9 963.675 7 -8 -9 4 21917.6 1085.47 5 8 9 -4 20251.2 933.043 3 -8 9 3 8.00908 169.094 4 8 9 -3 132.943 125.489 7 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402.792 4 10 1 -9 2701.68 388.903 7 10 -1 -9 3169.53 419.880 7 -10 -1 9 2497.65 316.105 5 -10 1 8 9621.74 687.720 4 -10 -1 8 10007.6 722.806 4 10 1 -8 10813.3 744.261 7 10 -1 -8 10194.4 728.379 7 -10 -1 8 10367.5 604.636 5 10 -1 -7 21306.1 1083.19 2 -10 1 7 23654.8 1102.11 4 -10 -1 7 24199.5 1133.77 4 10 1 -7 24380.1 1126.94 7 -10 -1 7 23177.5 912.964 5 -10 1 6-1.67279 146.887 4 -10 -1 6 80.2762 176.951 4 10 1 -6 59.6858 186.422 7 -10 -1 6-32.4212 115.647 5 10 1 -6 36.8728 163.344 2 10 -1 -6-58.1290 171.023 2 -10 1 5 263.973 187.727 4 -10 -1 5-79.4327 192.252 4 -10 -1 5 302.375 114.252 5 10 1 -5 114.572 169.318 2 10 -1 -5 151.128 171.232 2 -10 1 4 279.646 183.843 4 -10 -1 4 213.799 165.217 4 10 1 -4 296.802 165.694 2 10 -1 -4 139.388 180.474 2 -10 1 3 14939.1 855.145 4 -10 -1 3 13857.4 832.802 4 10 -1 -3 15081.1 866.621 2 10 1 -3 14332.5 819.188 2 -10 1 2 1691.76 306.770 4 -10 -1 2 2468.29 358.306 4 10 -1 -2 1972.81 330.840 2 10 1 -2 1851.74 325.181 2 -10 1 1 610.249 259.294 4 -10 -1 1 397.481 184.916 4 10 -1 -1 129.239 180.537 2 10 1 -1 465.859 208.272 2 -10 1 0 8041.82 639.238 4 -10 -1 0 8590.20 655.417 4 10 -1 0 7687.61 626.307 2 10 1 0 7612.48 601.962 2 -10 -1 -1 4688.72 496.964 4 -10 1 -1 3250.80 419.942 4 10 -1 1 3829.93 453.705 2 10 1 1 4048.11 447.094 2 -10 1 -2 16605.5 942.215 4 -10 -1 -2 16493.8 930.567 4 10 -1 2 16385.4 930.344 2 10 1 2 18088.7 952.814 2 -10 1 -3 2369.87 377.343 4 -10 -1 -3 2664.58 402.648 4 10 -1 3 2487.22 382.414 2 10 1 3 2696.73 385.487 2 -10 1 -4 641.864 233.971 4 -10 -1 -4 193.014 196.920 4 10 -1 4 557.514 228.473 2 10 1 4 734.713 240.467 2 -10 1 -5 21084.8 1113.68 4 -10 -1 -5 19744.0 1058.98 4 10 -1 5 19587.8 1073.22 2 10 1 5 21180.2 1090.50 2 -10 -1 -6 25558.1 1235.18 4 10 1 6 26391.7 1258.97 2 -10 -2 13 1867.23 356.100 5 -10 -2 12 3404.64 426.154 5 -10 2 11 12631.8 796.029 4 -10 -2 11 13125.1 793.100 5 -10 2 10 15625.0 883.025 4 -10 -2 10 15583.3 842.640 5 -10 2 9 118.644 148.923 4 -10 -2 9-10.3398 149.113 5 -10 2 8 12571.5 786.539 4 10 2 -8 12413.9 797.827 7 -10 -2 8 11643.8 678.752 5 -10 2 7 3056.06 395.785 4 -10 -2 7 3115.93 419.071 4 10 2 -7 3721.93 444.893 7 -10 -2 7 3776.32 376.605 5 10 -2 -7 3737.05 455.111 2 10 2 -6 41306.0 1463.35 2 10 -2 -6 41193.6 1556.77 2 -10 2 6 40516.8 1489.17 4 -10 -2 6 40128.2 1531.13 4 10 2 -6 38548.9 1456.17 7 -10 -2 6 41669.4 1312.91 5 -10 2 5 21575.6 1040.13 4 10 2 -5 19645.8 966.727 2 10 -2 -5 21804.2 1082.41 2 -10 -2 5 20138.6 1031.25 4 10 2 -5 22226.6 1039.95 7 -10 -2 5 21976.5 881.635 5 -10 2 4 1386.34 288.005 4 -10 -2 4 1482.35 300.814 4 -10 -2 4 1635.19 246.630 5 10 2 -4 1123.95 251.684 2 10 -2 -4 1617.54 318.648 2 -10 2 3 3424.95 411.692 4 -10 -2 3 3402.34 421.827 4 10 -2 -3 3646.68 446.166 2 10 2 -3 3322.63 392.296 2 -10 2 2 11913.2 768.280 4 -10 -2 2 11674.1 769.333 4 10 -2 -2 11654.2 769.990 2 10 2 -2 11576.8 722.806 2 -10 2 1 200.442 191.016 4 -10 -2 1 190.482 159.804 4 10 -2 -1 362.056 184.273 2 10 2 -1 331.370 172.025 2 -10 2 0 1283.20 306.959 4 -10 -2 0 1210.68 283.105 4 10 -2 0 1074.10 271.346 2 10 2 0 1403.24 287.551 2 -10 2 -1 2438.68 379.547 4 -10 -2 -1 2826.35 391.627 4 10 -2 1 2990.03 407.145 2 10 2 1 2713.44 376.495 2 -10 2 -2 13595.7 857.637 4 -10 -2 -2 14132.3 854.900 4 10 -2 2 15211.3 895.911 2 10 2 2 14120.2 833.682 2 -10 2 -3 2013.72 351.607 4 -10 -2 -3 1899.59 338.988 4 10 -2 3 2394.19 372.230 2 10 2 3 2131.98 335.044 2 -10 2 -4 1382.03 324.525 4 -10 -2 -4 1220.53 290.901 4 10 -2 4 1153.92 294.869 2 10 2 4 1196.90 280.758 2 -10 -2 -5 19463.9 1030.97 4 10 2 5 18199.8 1004.29 2 -10 -2 -6 2874.41 414.103 4 10 2 6 3047.34 423.254 2 -10 -3 13 12275.8 844.036 5 -10 3 12 10936.7 731.645 4 -10 -3 12 10315.3 749.918 5 -10 3 11 3621.42 424.200 4 -10 -3 11 4015.68 460.615 5 -10 3 10 324.489 182.477 4 -10 -3 10 100.857 158.392 5 -10 3 9 8321.84 636.280 4 10 3 -9 9329.08 706.625 7 -10 -3 9 9262.03 642.696 5 -10 3 8 2972.99 387.844 4 10 3 -8 2991.73 401.677 7 -10 -3 8 3225.42 380.463 5 -10 3 7 4061.48 444.982 4 10 3 -7 3643.63 433.205 7 -10 -3 7 4000.39 412.244 5 10 -3 -7 4633.98 510.602 2 -10 3 6 25069.8 1128.35 4 10 3 -6 24877.4 1080.10 2 10 -3 -6 26263.5 1222.35 2 -10 -3 6 24001.5 1158.63 4 10 3 -6 24951.0 1120.75 7 -10 -3 6 25592.6 1032.70 5 -10 3 5 2422.51 357.927 4 -10 -3 5 1579.52 309.150 4 10 3 -5 1834.53 319.057 7 -10 -3 5 1565.30 259.535 5 10 3 -5 2088.82 319.927 2 10 -3 -5 1960.46 349.936 2 10 3 -4 3743.35 410.660 2 -10 3 4 3898.80 444.010 4 -10 -3 4 4035.13 460.400 4 10 3 -4 4033.82 440.093 7 -10 -3 4 3600.78 360.427 5 10 -3 -4 3516.30 440.578 2 -10 3 3 6532.88 570.369 4 -10 -3 3 5778.70 546.018 4 10 -3 -3 5590.57 546.261 2 10 3 -3 6137.58 512.314 2 -10 3 2 1514.99 307.007 4 -10 -3 2 1437.32 287.561 4 10 -3 -2 1633.52 314.181 2 10 3 -2 1769.58 292.194 2 -10 3 1 6791.43 587.187 4 -10 -3 1 7006.91 597.016 4 10 -3 -1 5462.34 544.313 2 10 3 -1 5439.30 490.972 2 -10 3 0-11.8241 164.830 4 -10 -3 0 42.6038 142.688 4 10 -3 0 75.4981 158.765 2 10 3 0 28.7990 142.951 2 -10 3 -1 3592.81 440.693 4 -10 -3 -1 2844.24 392.766 4 10 -3 1 3789.39 461.685 2 10 3 1 3539.21 404.775 2 -10 3 -2 2675.37 392.975 4 -10 -3 -2 2377.34 357.725 4 10 -3 2 2531.87 385.716 2 10 3 2 2402.45 352.295 2 -10 3 -3 13635.3 878.626 4 -10 -3 -3 13174.6 826.988 4 10 -3 3 14561.5 897.935 2 10 3 3 14049.4 835.323 2 -10 -3 -4 14433.6 870.655 4 10 3 4 13479.6 840.968 2 -10 -3 -5 6930.11 607.663 4 10 3 5 5869.69 561.540 2 -10 -3 -6 62.8933 207.376 4 10 3 6 268.816 187.629 2 -10 4 12 1380.87 268.872 4 -10 -4 12 1300.60 307.457 5 -10 4 11 3848.66 435.391 4 -10 -4 11 4479.40 490.375 5 -10 4 10 2827.92 371.710 4 -10 -4 10 2714.65 384.054 5 -10 4 9 1999.83 331.120 4 10 4 -9 1700.75 324.648 7 -10 -4 9 1289.50 284.602 5 -10 4 8 19881.0 987.653 4 10 4 -8 18698.6 1005.88 7 -10 -4 8 19175.6 958.717 5 -10 4 7 32016.5 1294.10 4 10 4 -7 31656.0 1315.63 7 -10 -4 7 32216.2 1251.45 5 -10 4 6 15699.6 872.516 4 10 -4 -6 16022.0 950.047 2 10 4 -6 12747.7 794.336 7 -10 -4 6 15071.2 807.143 5 -10 4 5 145.647 168.277 4 -10 -4 5 455.205 211.744 4 10 4 -5 103.221 164.869 7 -10 -4 5 211.298 149.291 5 10 4 -5 49.2271 135.920 2 10 -4 -5 87.5200 159.753 2 -10 4 4 363.153 186.839 4 -10 -4 4 171.584 167.381 4 10 4 -4 302.277 180.901 7 -10 -4 4 223.717 153.288 5 10 4 -4 537.249 193.079 2 10 -4 -4 109.152 184.690 2 -10 4 3 18667.8 985.937 4 -10 -4 3 19611.4 1022.27 4 10 -4 -3 20913.1 1073.86 2 10 4 -3 18629.7 895.639 2 10 4 -3 17908.1 894.210 7 -10 -4 3 19109.7 877.900 5 -10 4 2 857.943 247.639 4 -10 -4 2 732.237 232.148 4 10 -4 -2 421.076 205.799 2 10 4 -2 567.911 178.160 2 -10 4 1 9808.55 713.834 4 -10 -4 1 10124.4 719.161 4 10 -4 -1 10162.9 744.116 2 10 4 -1 10673.3 667.831 2 -10 4 0 13167.4 827.975 4 -10 -4 0 11845.7 777.846 4 10 -4 0 12108.4 814.679 2 10 4 0 11696.7 738.735 2 -10 4 -1 3872.15 460.227 4 -10 -4 -1 3811.22 454.165 4 10 4 1 4584.45 450.779 2 10 -4 1 3781.09 468.684 2 -10 4 -2 29733.5 1320.58 4 -10 -4 -2 28463.5 1246.17 4 10 -4 2 29490.8 1320.50 2 10 4 2 26934.0 1157.79 2 -10 -4 -3 3208.01 419.289 4 10 4 3 3349.47 413.371 2 -10 -4 -4 1217.12 275.047 4 10 4 4 1609.59 309.155 2 -10 -4 -5 1888.53 333.914 4 10 4 5 1182.39 281.419 2 -10 -4 -6 33.5233 170.369 4 10 4 6 166.089 172.222 2 -10 5 12 3695.49 427.671 4 -10 5 11 14836.9 845.996 4 -10 -5 11 14872.6 919.369 5 -10 5 10 419.020 166.417 4 -10 -5 10 652.966 244.771 5 -10 5 9 26120.0 1160.67 4 10 5 -9 26872.4 1262.98 7 -10 -5 9 26575.9 1211.17 5 -10 5 8 192.773 164.941 4 10 5 -8-201.116 175.050 7 -10 -5 8 94.7361 176.193 5 -10 5 7 2834.74 388.344 4 10 5 -7 2390.17 364.200 7 -10 -5 7 2447.91 357.528 5 -10 5 6 1514.40 292.729 4 10 5 -6 2115.59 335.334 7 -10 -5 6 1515.95 301.047 5 -10 5 5 272.449 202.616 4 10 5 -5 436.562 235.908 7 -10 -5 5-20.8384 164.007 5 10 5 -5 130.129 143.806 2 -10 5 4 3901.83 448.866 4 10 -5 -4 4493.77 524.245 2 -10 -5 4 4277.10 489.914 4 10 5 -4 3524.30 409.324 7 -10 -5 4 3918.71 428.998 5 10 5 -4 3290.65 368.593 2 -10 5 3 10372.7 727.380 4 10 5 -3 11517.0 675.794 2 10 -5 -3 11423.6 807.591 2 -10 -5 3 12879.2 820.504 4 10 5 -3 11423.5 694.913 7 -10 -5 3 10951.9 691.823 5 -10 5 2 326.288 202.052 4 -10 -5 2 118.861 169.390 4 10 -5 -2 59.8421 167.650 2 10 5 -2 213.033 144.728 2 -10 5 1 3265.40 429.467 4 -10 -5 1 3499.74 449.046 4 10 5 -1 4077.70 411.896 2 10 -5 -1 3266.72 445.681 2 -10 5 0 3637.27 452.953 4 -10 -5 0 3502.53 441.383 4 10 -5 0 3018.45 428.435 2 10 5 0 2614.68 344.595 2 -10 5 -1 46851.5 1715.92 4 -10 -5 -1 46582.9 1649.20 4 10 5 1 43559.3 1491.13 2 -10 -5 -2 2776.36 394.636 4 10 5 2 3198.05 382.894 2 -10 -5 -3 1688.23 309.440 4 10 5 3 1615.83 298.461 2 -10 -5 -4 5633.91 542.122 4 10 5 4 5554.10 520.460 2 -10 -5 -5 229.187 180.128 4 10 5 5 33.9735 151.604 2 -10 -5 -6 1757.20 338.114 4 10 5 6 1634.59 324.737 2 -10 6 10 1556.51 288.341 4 -10 6 9 573.882 189.572 4 -10 -6 9 288.832 211.218 5 -10 6 8 100.665 146.790 4 10 6 -8 295.230 188.451 7 -10 -6 8 314.471 199.254 5 -10 6 7 2276.30 347.053 4 10 6 -7 2387.74 364.338 7 -10 -6 7 1989.70 336.579 5 -10 6 6-35.3420 169.106 4 10 6 -6 196.992 201.970 7 -10 -6 6-12.6025 185.971 5 -10 6 5 7948.17 630.012 4 10 6 -5 7884.72 607.913 7 -10 -6 5 7000.03 588.834 5 -10 6 4 44319.2 1590.60 4 10 6 -4 43282.6 1493.45 7 -10 -6 4 43661.3 1545.02 5 -10 6 3 1241.84 270.882 4 -10 -6 3 1661.92 339.046 4 10 6 -3 1753.63 296.955 7 -10 -6 3 1614.95 298.508 5 -10 6 2 15721.9 918.075 4 -10 -6 2 15485.2 913.823 4 10 6 -2 15415.6 789.739 7 -10 6 1 9546.23 714.210 4 -10 -6 1 9241.75 699.718 4 -10 6 0 3074.80 432.337 4 -10 -6 0 2163.20 353.370 4 10 6 0 2382.68 323.650 2 -10 -6 -1 19.5807 156.855 4 10 6 1-56.3364 173.118 2 -10 -6 -2 1162.53 269.494 4 10 6 2 1161.41 252.140 2 -10 -6 -3 1398.88 291.368 4 10 6 3 1158.94 260.078 2 -10 -6 -4 4929.73 501.688 4 10 6 4 5138.56 492.219 2 -10 -6 -5 34.8457 154.543 4 10 6 5 580.716 216.614 2 -10 -6 -6 31512.8 1343.40 4 10 6 6 33147.2 1368.88 2 -10 7 9-153.640 211.054 4 -10 7 8 4744.84 480.892 4 10 7 -8 4591.62 531.940 7 -10 7 7 7946.32 628.581 4 -10 -7 7 8643.00 690.286 5 -10 7 6 4766.15 493.924 4 10 7 -6 5302.66 520.681 7 -10 -7 6 4991.59 527.013 5 -10 7 5 1229.21 277.263 4 10 7 -5 1714.72 320.766 7 -10 -7 5 1332.11 287.820 5 -10 7 4 516.225 208.191 4 10 7 -4 646.468 222.215 7 -10 -7 4 662.870 270.105 5 -10 7 3 4607.57 498.912 4 -10 -7 3 4963.32 527.057 5 -10 7 2 6626.36 599.034 4 -10 -7 1 82.2571 163.095 4 -10 -7 0 32.8533 165.761 4 -10 -7 -1 719.963 221.849 4 -10 -7 -2 6837.26 589.214 4 -10 -7 -3 4008.19 461.633 4 -10 -7 -4 18573.6 992.410 4 -10 -7 -5 15862.6 921.572 4 -10 8 7-6.90130 177.552 4 10 8 -7 322.407 245.295 7 -10 8 6 258.365 179.519 4 10 8 -6-239.965 260.898 7 -10 8 5 5599.04 538.961 4 -10 8 4 24670.7 1170.57 4 11 0 -6 22.8016 170.326 2 11 0 -5 611.015 230.441 2 11 0 -4 232.060 190.988 2 11 0 -3 7147.40 625.954 2 11 0 -2 30.5670 166.352 2 11 0 -1 20243.8 1065.67 2 11 0 0-24.2897 187.139 2 11 1 -6 4064.18 481.843 2 11 -1 -5 4819.85 534.679 2 11 1 -5 4064.17 477.666 2 11 1 -4 13.2313 166.782 2 11 -1 -4 202.192 201.392 2 11 -1 -3 18145.7 1027.61 2 11 1 -3 20491.5 1048.32 2 11 -1 -2 33468.7 1432.00 2 11 1 -2 34969.5 1423.21 2 11 1 -1 321.266 188.043 2 11 1 0 901.717 232.809 2 11 1 1 24073.2 1186.36 2 11 2 -6 3182.31 424.202 7 11 2 -6 2863.77 394.966 2 11 2 -5 2976.58 399.793 2 11 2 -4 11925.2 781.601 2 11 2 -3 12712.3 810.072 2 11 2 -2 1610.77 307.619 2 11 2 -1 836.363 245.608 2 11 2 0 2841.65 411.383 2 11 2 1 861.532 245.085 2 11 2 2 42.3693 158.497 2 11 3 -6 75.0840 184.367 7 11 3 -6 131.022 169.396 2 11 3 -5 26261.6 1176.05 2 11 3 -4 8050.20 633.265 2 11 3 -3 25921.3 1168.46 2 11 3 -2 7354.39 605.416 2 11 3 -1 59.1181 159.796 2 11 3 0 4374.04 475.277 2 11 3 1 1886.81 336.201 2 11 3 2 458.862 179.243 2 11 4 -6 29078.1 1289.82 7 11 4 -5 6644.98 566.888 2 11 4 -4 658.136 235.311 2 11 4 -3 2061.37 328.629 2 11 4 -2 2188.04 340.476 2 11 4 -1 10030.5 706.133 2 11 4 0 567.400 210.010 2 11 4 1 6053.22 549.515 2 11 4 2 7760.20 640.503 2 11 4 3 9205.93 701.845 2 -11 -5 7 4623.34 496.995 5 11 5 -6 22278.6 1112.75 7 -11 -5 6 22085.1 1066.76 5 11 5 -5 132.619 177.770 7 -11 -5 5 102.068 187.907 5 11 5 -4 8346.54 642.251 7 11 5 0 17276.5 918.546 2 11 5 1 6388.13 556.242 2 11 5 2 22877.2 1099.78 2 -11 -6 6 9311.52 714.866 5 11 6 -5 6341.18 581.547 7 -11 -6 5 5626.47 557.180 5 0 0 0 0.00 0.00 0 TITL md113 in P2(1)/n REM P2(1)/n (#14 in standard setting) CELL 0.71073 8.810714 11.893413 15.566079 90.0000 97.2399 90.0000 ZERR 5.00 0.000337 0.000429 0.000605 0.0000 0.0036 0.0000 LATT 1 SYMM -x+1/2, y+1/2,-z+1/2 SFAC C H N Cu I UNIT 50.00 50.00 30.00 5.00 5.00 TREF HKLF 4 END ; _shelx_hkl_checksum 7879 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' 'x-1/2, -y-1/2, z-1/2' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_site_symmetry_order _atom_site_calc_flag _atom_site_refinement_flags_posn _atom_site_refinement_flags_adp _atom_site_refinement_flags_occupancy _atom_site_disorder_assembly _atom_site_disorder_group Cu1 Cu 0.21049(3) 0.60850(3) 0.35860(2) 0.01587(7) Uani 1 1 d . . . . . Cu2 Cu 0.13168(3) 0.55533(2) 0.52623(2) 0.01433(7) Uani 1 1 d . . . . . I1 I 0.08682(2) 0.69504(2) 0.21492(2) 0.01605(4) Uani 1 1 d . . . . . I2 I 0.24706(2) 0.74668(2) 0.49056(2) 0.01778(4) Uani 1 1 d . . . . . I3 I 0.11741(2) 0.40800(2) 0.39833(2) 0.01175(4) Uani 1 1 d . . . . . N1 N 0.4481(2) 0.58572(16) 0.32597(13) 0.0108(4) Uani 1 1 d . . . . . N2 N 0.7109(2) 0.52565(16) 0.37149(12) 0.0108(4) Uani 1 1 d . . . . . N3 N 0.6604(2) 0.70253(16) 0.29405(13) 0.0118(4) Uani 1 1 d . . . . . N4 N 0.6108(2) 0.52553(17) 0.21818(12) 0.0115(4) Uani 1 1 d . . . . . C1 C 0.5516(2) 0.5275(2) 0.39355(15) 0.0120(5) Uani 1 1 d . . . . . H1A H 0.515604 0.449386 0.399740 0.014 Uiso 1 1 calc R U . . . H1AB H 0.549701 0.566228 0.449687 0.014 Uiso 1 1 calc R U . . . C2 C 0.5044(3) 0.70223(19) 0.31710(16) 0.0122(5) Uani 1 1 d . . . . . H2A H 0.435729 0.742102 0.271808 0.015 Uiso 1 1 calc R U . . . H2AB H 0.502337 0.742890 0.372442 0.015 Uiso 1 1 calc R U . . . C3 C 0.4493(3) 0.5274(2) 0.24436(16) 0.0133(5) Uani 1 1 d . . . . . H3A H 0.379111 0.565568 0.198867 0.016 Uiso 1 1 calc R U . . . H3AB H 0.412640 0.449346 0.249869 0.016 Uiso 1 1 calc R U . . . C4 C 0.7618(3) 0.64391(19) 0.36158(15) 0.0117(5) Uani 1 1 d . . . . . H4A H 0.762137 0.684102 0.417303 0.014 Uiso 1 1 calc R U . . . H4AB H 0.867525 0.644188 0.346320 0.014 Uiso 1 1 calc R U . . . C5 C 0.6631(3) 0.6477(2) 0.21261(15) 0.0134(5) Uani 1 1 d . . . . . H5A H 0.768108 0.649846 0.196341 0.016 Uiso 1 1 calc R U . . . H5AB H 0.594573 0.687740 0.167335 0.016 Uiso 1 1 calc R U . . . C6 C 0.7150(3) 0.4672(2) 0.29031(15) 0.0125(5) Uani 1 1 d . . . . . H6A H 0.681166 0.388444 0.295966 0.015 Uiso 1 1 calc R U . . . H6AB H 0.821183 0.466019 0.275714 0.015 Uiso 1 1 calc R U . . . C7 C 0.6102(3) 0.4677(2) 0.13236(16) 0.0183(5) Uani 1 1 d . . . . . H7A H 0.546096 0.511890 0.087680 0.022 Uiso 1 1 calc R U . . . H7AB H 0.561792 0.392915 0.135617 0.022 Uiso 1 1 calc R U . . . C8 C 0.7679(3) 0.4520(2) 0.10364(17) 0.0194(5) Uani 1 1 d . . . . . H8A H 0.826512 0.396069 0.141549 0.023 Uiso 1 1 calc R U . . . H8AB H 0.824326 0.524098 0.109306 0.023 Uiso 1 1 calc R U . . . C9 C 0.7540(3) 0.4119(2) 0.00960(18) 0.0268(6) Uani 1 1 d . . . . . H9A H 0.854402 0.387064 -0.003883 0.040 Uiso 1 1 calc R U . . . H9B H 0.717141 0.473817 -0.029031 0.040 Uiso 1 1 calc R U . . . H9C H 0.681588 0.349101 0.001461 0.040 Uiso 1 1 calc R U . . . 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 Cu1 0.01417(15) 0.01736(16) 0.01618(16) 0.00133(13) 0.00231(12) -0.00131(11) Cu2 0.01431(14) 0.01434(15) 0.01409(15) 0.00005(12) 0.00083(12) 0.00029(11) I1 0.01131(8) 0.02003(9) 0.01673(9) 0.00505(6) 0.00146(6) 0.00100(6) I2 0.02506(9) 0.01390(8) 0.01571(9) -0.00295(6) 0.00778(7) -0.00464(6) I3 0.01224(7) 0.01170(8) 0.01153(8) -0.00125(6) 0.00237(6) -0.00019(5) N1 0.0098(9) 0.0111(10) 0.0114(10) 0.0027(8) 0.0010(8) 0.0001(7) N2 0.0097(9) 0.0131(10) 0.0095(10) -0.0016(8) 0.0008(7) -0.0003(7) N3 0.0108(9) 0.0127(10) 0.0124(10) 0.0007(8) 0.0030(8) 0.0000(7) N4 0.0099(9) 0.0148(10) 0.0094(10) -0.0009(8) -0.0003(8) 0.0009(7) C1 0.0098(11) 0.0148(12) 0.0116(12) 0.0044(10) 0.0025(9) -0.0003(9) C2 0.0117(11) 0.0111(11) 0.0142(12) 0.0015(10) 0.0036(9) 0.0002(9) C3 0.0097(11) 0.0145(12) 0.0150(12) -0.0010(10) -0.0009(9) 0.0007(9) C4 0.0123(11) 0.0118(11) 0.0108(12) 0.0018(9) 0.0009(9) -0.0017(9) C5 0.0138(11) 0.0147(12) 0.0116(12) 0.0030(10) 0.0009(9) 0.0012(9) C6 0.0116(11) 0.0131(12) 0.0121(12) 0.0017(10) -0.0018(9) 0.0026(9) C7 0.0192(13) 0.0211(14) 0.0135(13) -0.0044(11) -0.0015(10) 0.0025(10) C8 0.0231(13) 0.0198(13) 0.0152(13) -0.0007(11) 0.0026(10) 0.0054(10) C9 0.0395(17) 0.0248(15) 0.0164(14) -0.0014(12) 0.0042(12) 0.0087(12) loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' I I -0.4742 1.8119 '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 I1 Cu1 Cu2 139.221(13) . . ? I1 Cu1 I2 115.284(13) . . ? I1 Cu1 I3 117.241(13) . . ? I2 Cu1 Cu2 56.081(9) . . ? I2 Cu1 I3 113.397(12) . . ? I3 Cu1 Cu2 57.542(9) . . ? N1 Cu1 Cu2 121.62(5) . . ? N1 Cu1 I1 99.05(5) . . ? N1 Cu1 I2 103.21(5) . . ? N1 Cu1 I3 105.88(5) . . ? Cu2 Cu2 Cu1 97.481(16) 3_566 . ? I2 Cu2 Cu1 57.336(9) . . ? I2 Cu2 Cu2 135.293(18) . 3_566 ? I2 Cu2 I3 108.695(12) . 3_566 ? I2 Cu2 I3 113.897(12) . . ? I3 Cu2 Cu1 56.790(9) . . ? I3 Cu2 Cu1 132.726(13) 3_566 . ? I3 Cu2 Cu2 59.143(11) 3_566 3_566 ? I3 Cu2 Cu2 59.477(12) . 3_566 ? I3 Cu2 I3 118.619(11) . 3_566 ? N2 Cu2 Cu1 123.72(5) 3_666 . ? N2 Cu2 Cu2 116.42(5) 3_666 3_566 ? N2 Cu2 I2 108.20(5) 3_666 . ? N2 Cu2 I3 102.76(5) 3_666 . ? N2 Cu2 I3 103.49(5) 3_666 3_566 ? Cu2 I2 Cu1 66.583(11) . . ? Cu1 I3 Cu2 65.668(10) . . ? Cu1 I3 Cu2 104.825(11) . 3_566 ? Cu2 I3 Cu2 61.382(11) . 3_566 ? C1 N1 Cu1 114.08(14) . . ? C1 N1 C2 108.73(18) . . ? C2 N1 Cu1 103.98(13) . . ? C3 N1 Cu1 111.62(13) . . ? C3 N1 C1 109.15(18) . . ? C3 N1 C2 109.04(18) . . ? C1 N2 Cu2 111.53(14) . 3_666 ? C1 N2 C4 108.40(17) . . ? C4 N2 Cu2 108.52(13) . 3_666 ? C6 N2 Cu2 109.80(13) . 3_666 ? C6 N2 C1 109.73(18) . . ? C6 N2 C4 108.79(18) . . ? C2 N3 C4 109.20(18) . . ? C5 N3 C2 109.71(18) . . ? C5 N3 C4 110.04(18) . . ? C3 N4 C5 107.34(17) . . ? C6 N4 C3 107.72(17) . . ? C6 N4 C5 108.46(17) . . ? C7 N4 C3 110.13(17) . . ? C7 N4 C5 110.63(18) . . ? C7 N4 C6 112.39(18) . . ? N1 C1 N2 111.03(18) . . ? N1 C1 H1A 109.4 . . ? N1 C1 H1AB 109.4 . . ? N2 C1 H1A 109.4 . . ? N2 C1 H1AB 109.4 . . ? H1A C1 H1AB 108.0 . . ? N1 C2 H2A 109.4 . . ? N1 C2 H2AB 109.4 . . ? N3 C2 N1 111.10(18) . . ? N3 C2 H2A 109.4 . . ? N3 C2 H2AB 109.4 . . ? H2A C2 H2AB 108.0 . . ? N1 C3 N4 110.52(18) . . ? N1 C3 H3A 109.5 . . ? N1 C3 H3AB 109.5 . . ? N4 C3 H3A 109.5 . . ? N4 C3 H3AB 109.5 . . ? H3A C3 H3AB 108.1 . . ? N2 C4 H4A 109.4 . . ? N2 C4 H4AB 109.4 . . ? N3 C4 N2 111.01(18) . . ? N3 C4 H4A 109.4 . . ? N3 C4 H4AB 109.4 . . ? H4A C4 H4AB 108.0 . . ? N3 C5 N4 110.15(18) . . ? N3 C5 H5A 109.6 . . ? N3 C5 H5AB 109.6 . . ? N4 C5 H5A 109.6 . . ? N4 C5 H5AB 109.6 . . ? H5A C5 H5AB 108.1 . . ? N2 C6 N4 110.18(18) . . ? N2 C6 H6A 109.6 . . ? N2 C6 H6AB 109.6 . . ? N4 C6 H6A 109.6 . . ? N4 C6 H6AB 109.6 . . ? H6A C6 H6AB 108.1 . . ? N4 C7 H7A 108.6 . . ? N4 C7 H7AB 108.6 . . ? N4 C7 C8 114.6(2) . . ? H7A C7 H7AB 107.6 . . ? C8 C7 H7A 108.6 . . ? C8 C7 H7AB 108.6 . . ? C7 C8 H8A 109.5 . . ? C7 C8 H8AB 109.5 . . ? C7 C8 C9 110.7(2) . . ? H8A C8 H8AB 108.1 . . ? C9 C8 H8A 109.5 . . ? C9 C8 H8AB 109.5 . . ? C8 C9 H9A 109.5 . . ? C8 C9 H9B 109.5 . . ? C8 C9 H9C 109.5 . . ? H9A C9 H9B 109.5 . . ? H9A C9 H9C 109.5 . . ? H9B C9 H9C 109.5 . . ? 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 Cu1 Cu2 2.8544(5) . ? Cu1 I1 2.5757(4) . ? Cu1 I2 2.6186(4) . ? Cu1 I3 2.6210(3) . ? Cu1 N1 2.2321(19) . ? Cu2 Cu2 2.7030(6) 3_566 ? Cu2 I2 2.5812(3) . ? Cu2 I3 2.6433(3) . ? Cu2 I3 2.6525(3) 3_566 ? Cu2 N2 2.1979(19) 3_666 ? N1 C1 1.476(3) . ? N1 C2 1.484(3) . ? N1 C3 1.449(3) . ? N2 C1 1.486(3) . ? N2 C4 1.490(3) . ? N2 C6 1.447(3) . ? N3 C2 1.464(3) . ? N3 C4 1.467(3) . ? N3 C5 1.428(3) . ? N4 C3 1.529(3) . ? N4 C5 1.530(3) . ? N4 C6 1.525(3) . ? N4 C7 1.502(3) . ? C1 H1A 0.9900 . ? C1 H1AB 0.9900 . ? C2 H2A 0.9900 . ? C2 H2AB 0.9900 . ? C3 H3A 0.9900 . ? C3 H3AB 0.9900 . ? C4 H4A 0.9900 . ? C4 H4AB 0.9900 . ? C5 H5A 0.9900 . ? C5 H5AB 0.9900 . ? C6 H6A 0.9900 . ? C6 H6AB 0.9900 . ? C7 H7A 0.9900 . ? C7 H7AB 0.9900 . ? C7 C8 1.524(3) . ? C8 H8A 0.9900 . ? C8 H8AB 0.9900 . ? C8 C9 1.530(4) . ? C9 H9A 0.9800 . ? C9 H9B 0.9800 . ? C9 H9C 0.9800 . ?