#------------------------------------------------------------------------------ #$Date: 2023-08-24 04:44:14 +0300 (Thu, 24 Aug 2023) $ #$Revision: 285855 $ #$URL: file:///home/coder/svn-repositories/cod/cif/2/02/28/2022843.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/. The original data for this entry # were provided by IUCr Journals, http://journals.iucr.org/. # # The file may be used within the scientific community so long as # proper attribution is given to the journal article from which the # data were obtained. # data_2022843 loop_ _publ_author_name 'Andriichuk, Irina L.' 'Shova, Sergiu' 'Lampeka, Yaroslaw D.' _publ_section_title ; Crystal structures of the complexes containing macrocyclic cations [M(cyclam)]2+ (M = Ni, Zn) and tetraiodidocadmate(2--) anion ; _journal_coeditor_code EX2074 _journal_issue 9 _journal_name_full 'Acta Crystallographica Section E Crystallographic Communications' _journal_paper_doi 10.1107/S2056989023007004 _journal_volume 79 _journal_year 2023 _chemical_formula_iupac '[Cd Zn I4 (C10 H24 N4)]' _chemical_formula_moiety 'C10 H24 Cd I4 N4 Zn' _chemical_formula_sum 'C10 H24 Cd I4 N4 Zn' _chemical_formula_weight 885.70 _chemical_name_systematic Triiodido-1\k^3^I-\m-iodido-(1,4,8,11-tetraazacyclotetradecane-2\k^4^N)cadmium(II)zinc(II) _space_group_crystal_system orthorhombic _space_group_IT_number 62 _space_group_name_Hall '-P 2ac 2n' _space_group_name_H-M_alt 'P n m a' _atom_sites_solution_hydrogens mixed _atom_sites_solution_primary dual _audit_creation_method ; Olex2 1.3 (compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408) ; _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 15.6013(3) _cell_length_b 17.2644(3) _cell_length_c 8.1099(2) _cell_measurement_reflns_used 3723 _cell_measurement_temperature 293(2) _cell_measurement_theta_max 28.5270 _cell_measurement_theta_min 2.3530 _cell_volume 2184.38(8) _computing_cell_refinement ; CrysAlisPro (Rigaku OD, 2022) ; _computing_data_collection ; CrysAlisPro (Rigaku OD, 2022) ; _computing_data_reduction ; CrysAlisPro (Rigaku OD, 2022) ; _computing_molecular_graphics ; Mercury (Macrae et al., 2020) ; _computing_publication_material ; publCIF (Westrip, 2010) ; _computing_structure_refinement ; SHELXL2018/3 (Sheldrick, 2015b) ; _computing_structure_solution ; SHELXT (Sheldrick, 2015a) ; _diffrn_ambient_temperature 293(2) _diffrn_detector 'CCD plate' _diffrn_detector_area_resol_mean 16.1593 _diffrn_measured_fraction_theta_full 0.999 _diffrn_measured_fraction_theta_max 0.926 _diffrn_measurement_device 'four-circle diffractometer' _diffrn_measurement_device_type 'Rigaku Xcalibur Eos' _diffrn_measurement_method '\w scans' _diffrn_radiation_monochromator graphite _diffrn_radiation_probe x-ray _diffrn_radiation_type 'Mo K\a' _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0308 _diffrn_reflns_av_unetI/netI 0.0320 _diffrn_reflns_limit_h_max 18 _diffrn_reflns_limit_h_min -20 _diffrn_reflns_limit_k_max 21 _diffrn_reflns_limit_k_min -20 _diffrn_reflns_limit_l_max 9 _diffrn_reflns_limit_l_min -10 _diffrn_reflns_number 9158 _diffrn_reflns_theta_full 25.242 _diffrn_reflns_theta_max 28.258 _diffrn_reflns_theta_min 2.359 _diffrn_source 'fine-focus sealed X-ray tube' _exptl_absorpt_coefficient_mu 7.722 _exptl_absorpt_correction_T_max 1.00000 _exptl_absorpt_correction_T_min 0.42605 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details ; (CrysAlisPro; Rigaku OD, 2022) ; _exptl_crystal_colour 'clear light colourless' _exptl_crystal_density_diffrn 2.693 _exptl_crystal_description prism _exptl_crystal_F_000 1608 _exptl_crystal_size_max 0.15 _exptl_crystal_size_mid 0.1 _exptl_crystal_size_min 0.1 _refine_diff_density_max 1.360 _refine_diff_density_min -0.938 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.042 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 100 _refine_ls_number_reflns 2582 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 1.042 _refine_ls_R_factor_all 0.0445 _refine_ls_R_factor_gt 0.0323 _refine_ls_shift/su_max 0.001 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0226P)^2^+2.0518P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0597 _refine_ls_wR_factor_ref 0.0648 _reflns_number_gt 2096 _reflns_number_total 2582 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file ex2074sup1.cif _cod_data_source_block II _cod_database_code 2022843 _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_hkl_file ; 0 0 1 427.500 114.322 1 0 0 -1 507.720 132.588 1 0 0 2 576774. 5310.05 1 0 0 3-106.343 108.803 1 0 0 -3 183.285 80.0887 5 0 0 -4 180152. 2336.11 5 0 0 -5 56.9832 97.0712 5 0 0 -6 40063.2 1258.02 5 0 0 -7 81.4553 72.0135 5 0 0 -8 6482.43 900.808 2 0 0 -9 136.721 260.861 2 0 0 -10-346.453 282.696 2 0 1 -1 119325. 1322.05 5 0 -1 2 12.8321 71.7647 1 0 1 -2 172.101 141.455 1 0 1 -2-31.9255 66.1563 5 0 1 -3 21526.4 1215.03 1 0 1 3 19590.0 1097.47 1 0 -1 3 20096.0 1147.96 1 0 1 -3 22570.1 828.226 5 0 1 -4 117.188 163.019 1 0 1 -4 38.5225 72.6814 5 0 -1 -4-19.7031 47.9326 5 0 -1 -5 1583.10 218.227 5 0 1 -5 1269.00 231.936 5 0 -1 -6 78.5990 67.0043 5 0 1 -6-48.7256 89.5567 5 0 -1 -7 380.186 132.737 5 0 1 -7 163.108 110.904 5 0 -1 -8 407.173 282.101 2 0 1 -8-135.612 198.342 2 0 -1 -9 1126.10 390.003 2 0 1 -9 1289.30 470.612 2 0 -1 -10 65.1223 189.294 2 0 1 -10-18.2807 189.578 2 0 -2 0 118138. 1215.82 5 0 2 0 121569. 1210.05 5 0 2 0 120924. 879.518 4 0 -2 0 120771. 876.363 4 0 -2 1 101.278 61.7552 3 0 2 -1 113.595 81.6003 5 0 -2 1 95.6624 62.5765 5 0 2 -2 108196. 1767.45 5 0 2 -3-140.533 128.964 1 0 2 -3 143.313 92.0815 5 0 2 -4 11406.0 981.908 1 0 2 -4 11356.1 692.442 5 0 2 -5-34.7820 157.056 1 0 -2 -5 54.5848 54.4305 5 0 2 -5-66.5622 73.5379 5 0 2 -6 21512.8 1060.19 5 0 -2 -6 21717.2 741.028 5 0 2 -7-167.228 156.733 5 0 -2 -8-209.019 252.833 2 0 2 -8 705.584 331.362 2 0 -2 -9 111.495 209.597 2 0 2 -9-215.401 191.279 2 0 -2 -10 270.860 188.171 2 0 2 -10 1391.35 481.242 2 0 3 0 92.5529 51.7724 5 0 3 0 121.544 46.4781 4 0 -3 0 263.126 59.4610 4 0 -3 0 211.447 73.0118 5 0 -3 1 26575.1 713.800 3 0 3 -1 27097.4 736.224 3 0 -3 1 26685.2 839.185 5 0 3 -1 28030.4 860.419 5 0 -3 1 26874.6 653.444 4 0 3 -2 91.3228 77.6822 5 0 3 -3 314168. 3970.28 1 0 3 -3 324149. 3717.97 5 0 3 -4 127.503 201.291 1 0 3 -4-82.0428 124.949 5 0 3 -5 154945. 3955.40 1 0 3 -5 152436. 2867.67 5 0 -3 -5 159196. 1678.43 5 0 3 -6 23.2619 200.492 1 0 3 -6-17.2521 107.204 5 0 -3 -6-9.02331 47.6391 5 0 3 -7 31754.8 1411.92 5 0 -3 -8-60.9898 173.978 2 0 3 -8 11.8925 173.725 2 0 3 -9 20157.8 1698.47 2 0 -3 -9 21624.3 1750.97 2 0 3 -10 40.2162 284.537 2 0 -3 -10-421.833 315.818 2 0 -4 0 107730. 1669.79 5 0 4 0 106829. 1621.67 5 0 4 0 108388. 1174.65 4 0 -4 1 171.968 72.9244 4 0 4 -1 63.4017 61.7125 3 0 -4 1 230.465 93.0831 3 0 -4 -1 115.763 81.0600 5 0 4 -1 288.599 142.818 5 0 -4 1 316.196 136.462 5 0 -4 2 73359.1 1522.52 3 0 4 -2 73142.6 1736.15 5 0 -4 2 76690.5 1797.58 5 0 4 -3 128.502 151.627 5 0 4 -4 36171.2 1575.65 1 0 4 -4 38744.1 1466.89 5 0 4 -5-226.527 202.741 1 0 4 -5-90.4583 91.6765 5 0 4 -6 14458.2 1328.22 1 0 -4 -6 14745.0 386.230 5 0 4 -6 14505.4 974.725 5 0 4 -7-129.077 268.394 1 0 4 -7 5.61294 92.4079 5 0 4 -8 458.640 232.403 2 0 -4 -8 190.667 214.810 2 0 -4 -9 165.301 215.098 2 0 4 -9 345.153 274.557 2 0 4 -10 436.850 296.109 2 0 -4 -10 491.477 293.625 2 0 5 0 61.6495 31.9480 6 0 -5 0 105.787 97.6729 5 0 5 -1 27820.2 894.627 3 0 -5 1 27929.7 887.177 3 0 -5 -1 29791.0 889.883 5 0 -5 1 28921.8 629.118 6 0 5 -1 28994.9 1068.75 5 0 -5 1 29735.0 1082.70 5 0 -5 1 28455.2 753.460 4 0 5 -1 29506.7 782.897 4 0 -5 2 82.4622 89.0161 3 0 -5 2 145.413 88.3103 4 0 5 -2 114.277 122.524 5 0 -5 2 228.999 137.689 5 0 -5 3 347404. 4054.72 3 0 5 -3 333681. 4347.08 5 0 5 -4 190.129 211.856 1 0 5 -4-100.498 131.714 5 0 5 -5 72547.8 2586.46 1 0 5 -5 73629.8 2242.32 5 0 5 -6 472.658 287.108 1 0 5 -6 197.057 143.177 5 0 -5 -7 29650.6 1793.80 2 0 5 -7 29851.1 1807.82 2 0 5 -7 29427.5 2053.17 1 0 5 -7 27831.9 1472.07 5 0 -5 -8 27.6669 250.601 2 0 5 -8 108.238 230.711 2 0 5 -9 9251.80 1170.32 2 0 -5 -9 6216.67 970.635 2 0 -5 -10 16.5690 220.531 2 0 5 -10-81.1155 208.902 2 0 6 0 517851. 2081.37 6 0 6 0 509584. 3144.20 4 0 6 -1 85.7251 74.6652 4 0 6 -1-17.5162 82.5127 3 0 -6 1 50.4630 60.7729 4 0 6 -1 36.7318 40.7563 2 0 -6 -1 47.0606 43.9245 2 0 6 -1 25.4910 107.299 5 0 -6 1-4.42076 34.8756 6 0 -6 1 38.9014 79.4360 5 0 -6 -1 138.229 104.202 5 0 -6 2 143449. 2373.86 3 0 6 -2 142891. 2416.36 3 0 -6 2 150332. 2859.14 5 0 -6 -2 141058. 1998.70 5 0 6 -2 138670. 2773.30 5 0 -6 2 139387. 2115.41 4 0 -6 3 130.617 116.089 4 0 -6 -3 144.576 82.7903 5 0 6 -3 155.421 176.380 5 0 6 -4-1.98963 162.924 5 0 6 -5 98.5257 190.985 1 0 -6 -5 43.8539 32.0221 5 0 6 -5 6.23966 106.385 5 0 6 -6 30770.9 1920.77 1 0 6 -6 29957.7 1557.23 5 0 6 -7 159.281 186.082 2 0 6 -7-7.51609 188.974 1 0 -6 -7-104.215 187.561 2 0 6 -7 73.9684 172.858 5 0 -6 -8 202.153 277.674 2 0 6 -8-8.52342 197.319 2 0 6 -8-146.013 253.245 1 0 6 -9 733.693 424.757 2 0 -6 -9 501.496 327.984 2 0 -6 -10 61.4838 159.848 2 0 7 0 125.424 44.8097 6 0 -7 0-36.9618 91.6833 5 0 7 0 42.9411 52.5533 4 0 7 -1 145755. 2368.86 3 0 7 -1 150937. 1276.67 2 0 -7 -1 148352. 1297.20 2 0 -7 1 147354. 1477.41 6 0 -7 1 147645. 2815.87 5 0 7 -1 145904. 2767.51 5 0 -7 -1 152012. 2482.29 5 0 7 -1 151038. 1996.48 4 0 -7 1 148978. 1957.85 4 0 -7 2 63.0614 82.5674 3 0 -7 2-4.37460 89.8201 4 0 7 -2-102.565 93.2209 3 0 -7 2 56.4289 69.0595 6 0 7 -2-13.1789 112.207 5 0 -7 2 29.7764 127.239 5 0 -7 -2 115.812 98.2726 5 0 -7 3 339.470 156.342 4 0 -7 -3 245.535 100.326 5 0 7 -3 209.443 178.897 5 0 -7 4-38.8156 100.410 4 0 -7 -4 105.471 73.2361 5 0 7 -4-52.6449 119.558 5 0 7 -5 3471.53 574.147 1 0 -7 -5 2907.63 215.066 5 0 7 -5 2870.87 501.359 5 0 -7 -6 39.0917 169.346 2 0 7 -6-23.6653 155.132 1 0 7 -6-337.752 261.586 2 0 7 -6-7.59565 162.103 5 0 7 -7 1114.71 447.782 1 0 -7 -7 152.773 164.705 2 0 7 -7 1250.92 415.970 2 0 7 -8-220.791 257.283 2 0 7 -8 53.5222 328.451 1 0 -7 -8 78.9719 163.830 2 0 7 -9 3871.55 768.277 2 0 -7 -9 3336.71 719.882 2 0 8 0 999999. 3288.09 6 0 8 0 990542. 5114.33 4 0 8 -1 130.756 114.727 3 0 8 -1 253.235 78.1552 4 0 8 -1 59.6301 44.0910 2 0 -8 -1 79.8659 37.2940 2 0 -8 1 61.5759 46.7849 6 0 8 -1-44.3985 133.561 5 0 -8 1 57.8791 141.667 5 0 -8 -1 96.8455 108.229 5 0 -8 1 19.1360 55.6337 4 0 8 -2 233705. 3403.60 3 0 -8 -2 224420. 2511.55 2 0 8 -2 225787. 2566.69 2 0 8 -2 221434. 3907.76 5 0 -8 -2 228037. 3115.71 5 0 -8 2 238830. 2511.19 6 0 -8 2 229447. 2859.10 4 0 -8 3 303.084 158.541 4 0 -8 -3 109.804 89.0522 2 0 8 -3-27.8944 121.443 5 0 -8 -3 7.73584 77.1201 5 0 -8 -4 85939.1 2288.38 2 0 -8 -4 88813.6 1642.38 5 0 8 -4 83555.9 2667.59 5 0 -8 4 84438.6 2276.18 4 0 -8 5 117.437 114.693 4 0 8 -5 112.674 134.096 2 0 -8 -5-110.781 132.412 2 0 8 -5 78.4864 171.227 5 0 -8 -5 8.39701 45.2688 5 0 8 -6 26063.1 1614.09 2 0 -8 -6 26218.9 1565.92 2 0 8 -6 29522.8 1875.28 1 0 8 -6 27027.9 1610.69 5 0 -8 -7-163.071 205.034 2 0 8 -7-135.852 283.271 2 0 -8 -8 8305.63 1034.94 2 0 8 -8 9816.19 1139.70 2 0 8 -8 9566.79 1329.60 1 0 -8 -9-76.9156 267.883 2 0 8 -9 83.8702 205.962 1 0 8 -9-127.945 232.386 2 0 9 0 313.105 118.954 4 0 9 0 313.176 74.9442 6 0 -9 0 237.915 170.945 5 0 9 -1 59839.8 1702.18 3 0 -9 -1 58267.0 1798.44 5 0 9 1 57951.7 1336.48 4 0 9 -1 60198.8 1415.04 4 0 -9 1 56840.2 1352.64 4 0 -9 2 28.4036 65.7140 4 0 9 -2-1.88402 124.306 3 0 -9 -2-19.7325 58.8487 2 0 9 -2-2.37491 57.2012 2 0 -9 2 13.9570 53.2314 6 0 9 -2-62.9188 117.530 5 0 -9 -2 79.3894 99.7311 5 0 -9 -3 21874.3 968.494 2 0 9 -3 22496.3 1021.10 2 0 -9 3 21107.1 929.744 6 0 -9 -3 22458.1 989.454 5 0 9 -3 22212.6 1374.20 5 0 -9 3 21219.7 1015.50 4 0 -9 4 100.766 113.476 4 0 -9 -4 27.1952 100.392 2 0 9 -4 50.9837 128.745 2 0 9 -4 356.156 230.369 5 0 -9 -4 6.35795 53.9377 5 0 -9 5 396.159 207.425 4 0 9 -5 741.322 300.844 5 0 -9 -5 521.456 229.831 2 0 9 -5 531.074 243.745 2 0 -9 6 510.485 311.424 4 0 9 -6 183.562 164.564 5 0 -9 -6-179.232 220.625 2 0 9 -6-32.6803 185.816 2 0 9 -6 137.777 209.928 1 0 -9 -7 2128.33 482.542 2 0 9 -7 3203.79 732.236 1 0 9 -7 3270.14 617.630 2 0 -9 7 2833.73 569.800 4 0 9 -8-408.353 269.445 2 0 -9 -8-421.017 352.158 2 0 9 -8 209.332 319.632 1 0 -9 8-27.0120 201.971 4 0 -9 -9 759.244 383.581 2 0 9 -9 823.484 414.697 1 0 9 -9 37.6902 233.339 2 0 -9 9 597.374 409.272 4 0 10 0 89708.3 1043.05 6 0 10 0 92743.9 1751.70 4 0 10 -1 162.134 172.224 3 0 10 -1 150.612 89.0648 4 0 -10 1 193.559 110.654 4 0 10 1 39.6090 60.7406 4 0 10 -2 15758.3 969.068 3 0 -10 -2 15338.2 580.738 2 0 10 -2 15668.7 588.221 2 0 -10 2 16006.3 650.929 6 0 -10 -2 14852.2 926.527 5 0 -10 2 15369.8 801.209 4 0 -10 3 13.8428 103.107 4 0 -10 -3 176.286 83.5794 2 0 10 -3-54.7017 92.6304 2 0 10 -3 133.361 190.318 5 0 -10 3 3.71013 64.6848 6 0 -10 -3 57.7411 62.2418 5 0 10 -4 8444.30 738.040 2 0 -10 -4 8916.19 725.465 2 0 -10 -4 8818.67 623.812 5 0 10 -4 9495.63 1004.28 5 0 -10 4 8682.82 741.545 4 0 -10 5 112.813 123.476 4 0 10 -5-28.8807 162.342 5 0 -10 -5 100.151 186.035 2 0 10 -5 113.758 163.138 2 0 -10 -6 4783.58 688.393 2 0 10 -6 4526.68 779.556 1 0 10 -6 4834.03 699.242 2 0 -10 6 4473.11 685.992 4 0 -10 -7 91.6159 204.328 2 0 10 -7 601.251 382.463 1 0 10 -7-62.4251 167.659 2 0 -10 7 868.357 393.601 4 0 10 -8-148.440 248.749 2 0 -10 -8 119.306 163.938 2 0 10 -8 12.6521 258.624 1 0 -10 8 455.430 349.094 4 0 10 -9-308.331 329.942 2 0 -10 -9-67.8032 182.108 2 0 11 0 69.1433 62.7108 4 0 11 -1 56230.4 1836.07 3 0 -11 1 57151.6 1499.90 4 0 11 -1 56558.4 1504.45 4 0 11 1 55696.1 1433.36 4 0 11 -2 146.606 151.280 3 0 -11 -2 27.4386 41.9405 2 0 11 -2 16.0527 39.6917 2 0 -11 2 44.9682 57.6332 6 0 -11 2-7.65997 107.603 4 0 11 -3 175048. 3567.30 3 0 11 -3 178735. 2697.47 2 0 -11 -3 168164. 2558.44 2 0 -11 3 181589. 2712.98 6 0 -11 -3 174195. 3183.44 5 0 -11 3 174625. 3057.41 4 0 11 -4-176.542 178.603 2 0 -11 -4-17.8059 143.502 2 0 -11 4 239.064 200.074 4 0 -11 -4-14.2421 100.102 5 0 11 -5 64991.1 2294.78 2 0 -11 -5 67040.5 2246.41 2 0 -11 5 63372.6 2278.29 4 0 11 -6-97.7894 231.017 2 0 -11 -6 172.848 131.205 2 0 -11 6 394.024 286.584 4 0 -11 -7 6037.42 832.127 2 0 11 -7 8065.36 977.462 2 0 11 -7 9341.57 1223.39 1 0 -11 7 7041.94 929.218 4 0 11 -8-33.2193 201.331 1 0 11 -8-162.640 244.288 2 0 -11 -8-345.500 310.651 2 0 -11 8-112.466 143.899 4 0 -11 -9 12057.7 1343.22 2 0 11 -9 10288.6 1245.12 2 0 -11 9 10031.3 1275.56 4 0 12 0 31850.8 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137.964 3 2 -3 1 595.951 117.327 3 -2 3 -1 613.477 127.665 3 2 -3 1 853.039 149.782 4 2 3 -1 796.038 140.565 3 -2 3 -1 966.918 151.869 4 -2 -3 1 802.423 118.751 2 -2 3 1 727.186 111.929 2 -2 3 -1 1020.43 159.463 6 2 -3 1 861.340 132.504 6 2 -3 -2 127502. 1913.75 2 -2 -3 2 125483. 1924.95 2 2 3 -2 126054. 1885.99 2 -2 3 2 124083. 1916.54 2 2 -3 2 125715. 1922.73 6 -2 -3 2 128805. 1947.92 5 2 -3 2 125376. 1958.99 4 2 -3 -3 47487.1 1456.80 2 -2 3 -3 45227.2 1508.81 1 2 3 -3 47988.1 1456.62 2 2 3 -3 47085.8 1550.72 1 -2 -3 3 50015.9 1327.40 5 2 3 -4 8688.47 817.782 1 -2 3 -4 9458.46 851.918 1 2 3 -4 8452.67 719.341 2 2 -3 -4 9315.62 761.221 2 -2 -3 4 9953.19 662.101 5 2 3 -5 482.567 223.950 1 -2 3 -5 137.293 166.088 1 2 3 -5 496.349 232.434 2 2 -3 -5 627.409 257.399 2 -2 3 -5 418.675 213.655 5 2 3 -6 20511.2 1591.93 1 -2 3 -6 21642.9 1625.75 1 2 3 -6 21711.4 1416.94 2 2 -3 -6 20541.1 1375.12 2 -2 3 -6 21823.5 1247.31 5 2 -3 -7 211.751 180.546 2 2 3 -7 240.393 133.112 2 -2 3 -7 14.7729 129.721 5 2 3 -8 441.368 329.707 2 2 -3 -8 712.601 358.786 2 -2 3 -8 965.839 306.125 5 2 3 -9 278.795 270.462 2 2 -3 -9-8.55235 198.064 2 2 3 -10 480.083 241.151 2 2 -3 -10-191.891 371.197 2 -2 -3 -10 212.366 333.818 2 -2 3 -10 264.316 339.660 2 -2 4 0 126071. 1634.67 4 2 4 -1 911362. 4670.11 3 2 -4 1 915484. 4621.31 3 -2 4 -1 904273. 4662.04 3 -2 -4 1 917268. 4666.94 3 -2 4 1 885281. 3764.88 2 -2 -4 1 880466. 3733.50 2 2 -4 1 921604. 4293.57 6 -2 4 -1 884310. 4299.97 6 -2 4 -1 932711. 4730.50 4 2 -4 1 878494. 4614.80 4 2 -4 2 102196. 1805.58 3 -2 -4 2 99496.9 1781.05 3 2 -4 -2 101890. 1695.99 2 2 4 -2 101558. 1671.51 2 -2 -4 2 106850. 1957.89 5 -2 4 2 106639. 1116.41 5 2 -4 2 105977. 1776.19 6 2 -4 2 101970. 1838.02 4 2 4 -3 456334. 4499.25 2 2 -4 -3 454993. 4449.93 2 -2 -4 3 471959. 4437.58 5 2 -4 3 464067. 4564.39 4 2 -4 -4 1020.96 261.048 2 2 4 -4 1070.76 292.443 2 2 4 -4 1069.55 306.043 1 -2 4 -4 905.267 271.231 1 -2 4 -4 1820.57 371.851 5 -2 -4 4 884.392 233.849 5 2 -4 -5 46447.2 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722.214 4 -2 -5 2 19327.9 818.571 3 2 -5 2 18759.9 811.825 3 2 5 -2 18910.7 705.931 2 2 -5 -2 19265.8 722.197 2 -2 5 2 18787.7 571.750 5 -2 -5 2 19181.0 905.578 5 2 -5 2 19946.5 781.994 6 -2 5 -2 20270.2 1138.46 5 2 -5 2 17060.2 775.938 4 -2 -5 3 4563.56 473.517 3 2 -5 3 4346.16 462.641 3 2 -5 -3 4783.96 458.542 2 2 5 -3 4965.91 471.345 2 -2 -5 3 5174.10 505.227 5 2 -5 3 5260.22 483.713 6 -2 5 -3 3975.86 540.156 5 2 -5 3 4139.30 438.152 4 2 5 -4 79.6428 128.304 2 -2 5 -4 395.785 251.363 1 2 5 -4 120.549 195.852 1 2 -5 -4 7.76184 92.1932 2 -2 5 -4-11.7663 114.294 5 -2 -5 4 425.689 182.314 5 2 5 -5 1330.84 359.210 1 2 -5 -5 1444.54 344.739 2 2 5 -5 1319.10 335.706 2 -2 5 -5 1208.72 355.283 1 -2 5 -5 1146.86 317.847 5 2 5 -6 15246.6 1366.52 1 -2 5 -6 12497.2 1237.99 1 2 5 -6 13506.6 1121.34 2 2 -5 -6 13423.5 1110.31 2 -2 5 -6 12539.1 1022.09 5 2 5 -7 421.763 270.146 1 2 -5 -7 315.526 223.337 2 2 5 -7 858.553 297.694 2 -2 5 -7 323.473 269.249 1 -2 5 -7 626.727 289.157 5 2 -5 -8 1350.07 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787.055 1 2 -7 7 1957.76 479.010 4 -2 7 -7 2011.30 488.946 5 2 7 -8 17046.5 1737.03 1 -2 7 -8 17203.1 1749.52 1 2 -7 -8 15818.7 1418.18 2 2 7 -8 14531.8 1384.04 2 -2 7 -8 15449.6 1287.37 5 2 -7 8 13262.7 1320.32 4 2 -7 9 735.488 357.964 4 2 7 -9 664.758 394.899 2 -2 7 -9 1100.29 454.050 2 2 -7 -9 747.641 349.258 2 -2 -7 -9 351.533 169.297 2 -2 7 -9 708.004 284.613 5 -2 -8 0 12037.5 797.571 5 -2 8 0 10854.9 783.374 5 -2 8 0 11443.5 505.725 6 2 8 0 11217.5 440.906 4 -2 8 0 10609.9 608.809 4 2 8 -1 10158.8 671.935 3 -2 8 -1 10325.0 669.213 3 -2 8 -1 10299.6 524.548 6 -2 8 1 10271.3 667.956 5 -2 8 -1 10559.9 850.180 5 -2 -8 1 10674.8 300.589 6 -2 8 -1 11030.9 636.523 4 -2 8 1 10922.6 628.078 4 -2 -8 1 10910.1 484.219 4 2 -8 1 9360.47 592.976 4 2 -8 2 2105.45 316.065 4 -2 8 -2 1943.93 300.043 4 -2 8 -2 2044.49 325.125 3 2 8 -2 1731.51 308.766 3 2 -8 2 1901.36 249.682 6 -2 8 -2 1168.59 327.579 5 -2 -8 2 2234.61 277.916 4 2 -8 3 441.482 184.282 4 -2 -8 3 104.848 146.461 4 2 -8 -3 280.675 131.359 2 2 8 -3 155.741 119.006 2 2 -8 3 234.912 101.254 6 -2 8 -3-203.015 190.839 5 2 -8 -4 13012.9 864.740 2 2 8 -4 13693.8 903.995 2 -2 8 -4 12999.3 1111.04 5 2 -8 4 13878.6 948.964 4 2 8 -5 29992.6 1546.87 2 2 -8 -5 28987.2 1479.17 2 -2 8 -5 32941.7 1808.99 5 2 -8 5 28257.9 1502.87 4 2 -8 -6 4018.45 613.359 2 -2 8 -6 4986.86 798.024 1 2 8 -6 4033.64 719.153 1 2 8 -6 3698.41 627.838 2 2 -8 6 4044.26 674.024 4 -2 8 -6 4308.59 690.316 5 2 8 -7 9685.64 1216.50 1 -2 8 -7 10919.0 1289.49 1 2 8 -7 12267.2 1202.18 2 2 -8 -7 10150.9 1069.69 2 -2 8 -7 10422.5 1077.14 5 2 -8 7 10557.3 1097.49 4 2 8 -8 1137.12 475.633 1 2 -8 -8 1126.11 407.272 2 2 8 -8 931.289 375.378 2 -2 8 -8 1121.35 457.143 1 2 -8 8 976.833 389.975 4 -2 8 -8 1284.12 414.953 5 2 -8 9 432.898 351.844 4 2 8 -9 696.591 388.416 2 2 -8 -9 183.484 179.540 2 2 8 -9 18.5471 362.498 1 -2 8 -9 214.807 243.600 2 -2 8 -9 125.525 271.822 1 -2 -8 -9 283.515 257.664 2 -2 8 -9 85.7576 182.379 5 -2 -9 0 85013.3 769.331 2 -2 9 0 83809.9 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2 -9 6583.81 984.185 2 3 -2 -10 390.115 280.044 2 3 2 -10 1150.12 457.038 2 -3 3 0 65.0190 55.1454 4 -3 3 -1 1206.04 160.599 3 3 -3 1 1084.47 148.080 3 -3 -3 1 1258.76 163.202 3 3 3 -1 1344.55 177.073 3 -3 3 -1 1439.27 192.983 4 3 -3 1 1172.58 181.323 4 3 3 1 1102.03 140.174 6 -3 3 -1 1229.32 175.004 6 3 -3 1 1026.14 159.647 6 3 -3 2 1114.79 203.488 4 3 3 -2 867.056 168.180 2 -3 3 2 1009.54 186.569 2 -3 -3 2 923.513 169.636 2 3 -3 2 1514.42 226.293 6 3 -3 3 1736.22 290.311 4 3 -3 -3 1617.15 279.565 2 3 3 -3 1205.46 259.061 2 -3 3 -3 1464.93 288.601 1 3 3 -3 1487.09 298.036 1 3 -3 3 1996.55 302.489 6 -3 -3 3 1306.36 213.821 5 -3 3 -4 116833. 2996.75 1 3 3 -4 115546. 3021.07 1 3 -3 -4 114375. 2628.90 2 3 3 -4 113483. 2630.93 2 -3 -3 4 119989. 2207.05 5 3 -3 -5 4226.09 579.972 2 3 3 -5 4081.67 588.505 2 3 3 -5 4691.13 696.533 1 -3 3 -5 3744.81 629.934 1 3 -3 -6 12267.3 1068.69 2 3 3 -6 11724.1 1216.71 1 -3 3 -6 11087.2 1170.47 1 3 3 -6 13478.5 1124.07 2 -3 3 -6 12475.6 990.412 5 3 -3 -7 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2701.47 1 3 -4 -5 72055.3 2338.94 2 -3 -4 5 73107.8 2025.19 5 3 4 -6 7876.06 997.216 1 -3 4 -6 9737.88 1089.80 1 3 -4 -6 8941.80 925.988 2 3 4 -6 9554.99 960.288 2 -3 4 -6 8852.80 861.672 5 3 -4 -7 1702.76 450.690 2 3 4 -7 1397.45 405.032 2 3 4 -7 1087.16 402.472 1 -3 4 -7 1301.87 428.253 1 -3 4 -7 1204.43 340.985 5 3 -4 -8 14676.5 1362.93 2 3 4 -8 19112.3 1566.09 2 -3 4 -8 18410.9 1284.07 5 3 -4 -9 235.078 270.181 2 3 4 -9 127.470 290.783 2 -3 -5 0 72.2512 35.9272 6 -3 5 0 31.5232 57.2670 4 -3 -5 1 4537.28 299.474 2 -3 5 1 3493.77 263.714 2 3 5 -1 4134.31 347.720 3 -3 5 -1 3784.71 337.298 3 -3 5 -1 3889.79 329.017 6 3 -5 1 3740.28 310.894 6 3 5 1 4073.89 240.603 6 3 -5 1 3472.56 326.559 4 -3 5 -1 3843.62 345.351 4 -3 -5 2 192.650 113.138 3 -3 5 -2 104.026 65.2944 4 3 -5 2 165.725 96.2970 4 3 -5 2 300.446 115.439 3 -3 5 2 180.975 88.8436 2 -3 -5 2 401.958 123.619 2 3 -5 2 169.266 104.914 6 -3 5 2 134.858 73.1508 5 3 -5 3 1643.38 291.643 4 -3 -5 3 1293.91 259.582 3 3 -5 3 967.221 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334.838 2 3 6 -8-16.1335 248.066 2 3 6 -8 51.1932 307.188 1 -3 6 -8 155.383 250.855 1 3 -6 8-236.604 212.022 4 -3 6 -8 515.903 274.064 5 3 -6 -9 5189.49 882.747 2 3 6 -9 7180.31 1032.86 2 3 -6 9 6032.02 956.193 4 3 7 0 91.6376 30.1920 4 -3 7 0 132.033 121.868 4 -3 7 0-13.5633 106.964 5 -3 7 -1 1003.58 207.601 4 -3 -7 1 1019.64 127.495 4 -3 7 -1 1031.52 212.056 3 3 7 -1 753.997 190.463 3 -3 -7 1 1066.11 155.366 2 -3 7 1 768.645 125.064 2 -3 7 -1 975.029 171.167 6 3 7 1 907.183 100.205 6 -3 7 -1 925.840 291.869 5 3 -7 1 808.633 187.418 4 -3 7 1 1024.62 214.392 5 -3 -7 2 443.334 110.129 4 -3 7 -2 913.588 221.177 4 3 7 -2 354.383 168.269 3 3 -7 2 211.610 105.270 3 -3 -7 2 367.213 132.803 3 -3 7 -2 526.576 208.455 3 3 -7 2 235.080 103.203 4 -3 7 2 621.075 156.319 2 -3 -7 2 474.155 137.121 2 3 -7 2 390.710 130.399 6 -3 7 -2 122.832 155.721 5 3 7 -3 36429.6 1213.09 2 3 -7 -3 38567.4 1263.62 2 -3 7 -3 37470.9 1833.33 5 3 -7 3 38395.5 1350.58 6 3 -7 3 36455.7 1383.56 4 3 7 -4 32014.3 1362.33 2 3 -7 -4 30418.0 1323.51 2 -3 7 -4 28318.4 1626.35 5 3 -7 4 29743.3 1398.33 4 -3 7 -5 33140.6 1752.11 1 3 -7 -5 35036.8 1618.49 2 3 7 -5 34809.8 1644.56 2 3 7 -5 36538.9 1853.28 1 -3 7 -5 34048.3 1820.08 5 3 -7 5 36299.2 1713.28 4 -3 7 -6 89.1348 230.787 1 3 -7 -6 18.1288 139.976 2 3 7 -6-58.8173 187.351 2 3 7 -6 542.533 332.889 1 3 -7 6 218.253 274.093 4 -3 7 -6 68.8155 146.522 5 3 -7 -7 7724.50 921.810 2 -3 7 -7 7437.44 1067.23 1 3 7 -7 8362.28 985.449 2 3 7 -7 9311.99 1206.50 1 -3 7 -7 6654.43 844.016 5 3 -7 7 7701.49 946.030 4 -3 7 -8 3076.40 747.806 1 3 -7 -8 3556.17 663.490 2 3 7 -8 3390.30 648.067 2 3 7 -8 3251.54 781.601 1 3 -7 8 3448.19 696.125 4 -3 7 -8 2931.22 568.833 5 3 7 -9 2365.71 627.824 2 3 -7 -9 1960.76 580.962 2 3 -7 9 1529.08 485.984 4 -3 7 -9 1446.87 435.962 5 3 8 0 7.11138 25.6243 4 -3 8 0 168.172 102.265 6 -3 8 0 17.3059 103.125 5 -3 8 0 129.065 92.6666 4 -3 8 -1 667.882 191.906 3 3 8 -1 839.747 214.255 3 -3 8 -1 641.905 170.386 4 -3 8 1 700.212 125.948 2 -3 -8 1 665.450 123.362 2 3 8 1 593.248 71.8203 6 -3 8 -1 511.852 130.232 6 3 -8 1 538.755 152.419 4 -3 8 -1 402.740 193.958 5 -3 8 1 680.581 178.291 4 -3 8 1 301.765 148.849 5 -3 -8 1 411.958 95.6705 4 3 8 1 556.202 95.0864 4 -3 8 -2 13751.9 839.443 3 3 8 -2 13150.3 808.871 3 -3 8 2 12685.1 686.337 5 -3 8 -2 14289.7 1115.64 5 3 -8 2 14298.7 724.525 6 -3 -8 2 13157.8 613.382 4 3 -8 2 12239.2 760.281 4 -3 8 -3 3571.62 596.756 5 3 -8 3 3739.13 469.539 4 3 8 -4 34115.6 1393.47 2 3 -8 -4 33186.3 1372.38 2 -3 8 -4 34192.8 1861.64 5 3 -8 4 33406.3 1499.62 4 3 8 -5 5934.89 685.824 2 3 -8 -5 5837.59 669.912 2 -3 8 -5 7556.92 899.042 5 3 -8 5 6237.02 719.360 4 3 8 -6 19651.3 1548.01 1 3 -8 -6 16520.1 1234.33 2 3 8 -6 18835.4 1355.60 2 -3 8 -6 19509.0 1526.74 1 -3 8 -6 16682.5 1358.54 5 3 -8 6 18296.0 1348.81 4 3 8 -7 18423.1 1696.22 1 3 -8 -7 16674.0 1355.91 2 -3 8 -7 17516.8 1633.88 1 3 8 -7 17158.6 1415.44 2 -3 8 -7 17251.0 1405.75 5 3 -8 7 17038.7 1415.93 4 3 -8 -8 2559.70 597.453 2 3 8 -8 3645.93 699.487 2 3 8 -8 2123.57 658.701 1 -3 8 -8 2355.21 653.166 1 3 -8 8 3284.07 693.230 4 -3 8 -8 2035.15 518.196 5 3 -8 9 5175.95 898.895 4 3 -8 -9 4592.31 818.672 2 3 8 -9 5673.16 945.561 2 3 8 -9 4138.74 923.445 1 -3 8 -9 4900.10 1016.42 1 -3 8 -9 4241.34 733.529 5 3 9 0 218.010 68.7404 4 -3 9 0 61.5170 81.5033 6 -3 9 0 71.8752 110.557 5 3 9 -1 102.162 116.885 3 -3 9 -1 238.642 143.461 3 -3 9 1 199.489 78.3026 2 -3 -9 1 226.564 72.9236 2 -3 9 -1 255.294 116.907 6 -3 9 -1 246.849 183.573 5 3 9 1 148.442 60.3530 4 3 -9 1 205.202 130.805 4 -3 -9 1 126.436 60.8171 4 -3 9 1 253.876 158.172 5 -3 9 -2 102.369 142.409 3 3 9 -2 57.5105 90.0077 3 -3 -9 2 61.9501 79.2779 4 3 -9 2 0.96783 78.5983 6 3 -9 2 300.876 162.044 4 -3 9 -2 140.229 141.324 5 3 -9 3 1225.77 287.085 4 -3 -9 3 1364.99 254.784 4 -3 9 -3 618.584 284.744 5 3 -9 -4 19382.5 1032.12 2 3 9 -4 17629.0 993.685 2 -3 9 -4 18032.2 1399.32 5 3 -9 4 16936.7 1094.12 4 3 -9 -5 5036.88 614.530 2 3 9 -5 4699.63 597.181 2 3 -9 5 5252.26 687.526 4 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1596.38 556.195 4 3 -10 -9 1728.06 530.285 2 3 10 -9 955.792 397.378 2 -3 10 -9 1646.35 539.296 2 -3 -10 -9 1169.25 487.159 2 -3 10 -9 2316.23 576.296 5 3 11 0 17.1410 57.1691 4 -3 11 0 68.9256 36.9692 2 -3 -11 0 43.5201 34.3446 2 -3 11 0 7.82982 85.2041 6 -3 11 0-30.0643 150.721 5 -3 11 -1 4553.20 532.344 3 3 11 -1 5075.47 564.688 3 -3 11 1 5240.85 584.043 5 -3 11 -1 5406.38 445.320 6 3 -11 1 5419.53 541.920 4 -3 -11 1 5302.42 371.211 4 3 11 1 5111.13 342.287 4 -3 11 -1 4770.91 685.081 5 3 11 -2 151.086 165.046 3 -3 11 -2 311.512 209.480 3 3 11 2 209.510 72.8502 6 -3 -11 2 225.225 70.8315 6 -3 -11 2 471.784 131.324 4 -3 11 -2 102.307 158.238 5 3 -11 2 316.737 181.960 4 -3 -11 3 349.250 192.196 4 3 -11 3 116.336 130.096 4 -3 11 -3 13.6588 216.626 5 -3 11 -4 47741.9 2434.56 5 -3 -11 4 49511.8 1717.05 4 3 -11 4 49953.7 1939.36 4 3 -11 -5 657.225 213.824 2 3 11 -5 1083.29 274.243 2 -3 -11 5 715.856 262.466 4 3 -11 5 545.436 227.043 4 -3 11 -5 1695.55 518.276 5 3 -11 -6 2693.86 504.050 2 3 11 -6 2156.53 490.624 2 3 -11 6 2510.82 522.465 4 -3 -11 6 2862.24 548.634 4 -3 11 -6 2661.84 611.082 5 3 -11 7 6551.69 911.876 4 3 -11 -7 7397.15 901.875 2 3 11 -7 7886.62 958.033 2 3 11 -7 8150.94 1141.43 1 -3 11 -7 7714.19 1112.11 1 -3 11 -7 8032.24 1063.27 5 -3 -11 7 7420.29 943.965 4 3 -11 8-28.5889 174.886 4 -3 -11 8 227.115 223.490 4 -3 11 -8 431.280 288.492 5 3 11 -8-55.4261 181.947 2 3 -11 -8 591.211 320.509 2 3 11 -8 456.572 434.752 1 -3 11 -8 164.821 313.109 1 -3 -11 9 5569.39 926.971 4 3 -11 -9 3671.19 733.313 2 3 11 -9 3633.19 760.668 2 -3 -11 -9 3197.28 706.990 2 -3 11 -9 2729.01 630.826 2 -3 11 -9 3862.36 767.311 5 3 12 0 163.884 79.3760 4 3 12 0-23.9359 117.534 3 -3 12 0 218.235 154.051 3 -3 12 0 24.9341 61.6842 6 -3 12 0-99.6687 186.681 5 -3 12 -1 348.505 188.128 3 3 12 -1 528.408 252.263 3 -3 12 -1 330.683 131.712 6 -3 12 1 353.689 201.425 5 -3 12 -1 595.370 309.874 5 3 12 1 228.024 84.5387 4 3 12 -2 3391.40 503.181 3 -3 12 -2 4063.72 552.700 3 3 12 2 3314.70 218.116 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149.928 131.839 2 4 -10 -7 319.443 241.485 2 4 -10 7 106.669 140.405 4 -4 10 -7-37.5279 176.229 5 4 -10 -8 230.774 273.808 2 4 10 -8 274.851 366.938 1 4 10 -8 353.644 339.035 2 -4 10 -8 90.0897 230.046 1 4 -10 8-269.840 315.500 4 -4 10 -8-243.079 253.835 5 4 -10 -9 1875.42 528.875 2 4 10 -9 2056.31 592.085 2 -4 10 -9 1310.12 422.597 5 -4 11 0 90673.0 2302.95 3 4 11 0 96688.1 2390.81 3 -4 11 0 91625.1 1890.61 6 -4 11 0 96818.3 2862.88 5 -4 11 -1 37825.4 1514.49 3 4 11 -1 36844.3 1523.56 3 -4 11 1 36447.9 961.711 2 -4 -11 1 35626.7 933.190 2 -4 11 1 35143.0 1568.00 5 -4 11 -1 34099.3 1840.93 5 -4 11 -1 36347.0 1234.57 6 4 -11 1 35364.2 1428.69 4 4 11 1 35641.1 763.267 4 -4 11 -2 6262.26 642.311 3 4 11 -2 6606.87 666.853 3 4 11 2 6340.07 322.424 6 -4 11 2 7035.31 624.842 5 -4 11 -2 6046.48 831.441 5 4 -11 2 5775.51 598.826 4 -4 -11 2 6400.84 441.329 4 4 11 3 70973.9 1544.05 6 -4 11 -3 69542.9 2897.22 5 -4 -11 3 70616.8 1711.49 4 4 -11 3 70550.5 2207.95 4 -4 11 -4 6868.81 952.528 5 -4 -11 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32796.8 1476.22 4 11 2 3 33305.5 1321.04 4 11 -2 4 2305.05 443.469 4 11 2 4 2486.03 400.761 4 11 -2 5 970.601 309.906 4 11 2 5 1098.78 317.380 4 11 -2 6 350.754 217.877 4 11 2 6 533.665 228.523 4 11 2 7 1047.54 388.353 4 11 -2 7 1677.86 453.581 4 11 2 8 1348.27 444.608 4 11 -2 8 1535.33 488.856 4 11 2 9 579.597 316.377 4 -11 -3 0 58.1887 55.4370 4 -11 -3 0 84.2185 94.4730 6 -11 3 0-42.8154 171.407 6 -11 -3 -1 264.571 110.596 4 -11 3 1 469.139 72.9140 3 11 3 1 502.346 71.4047 3 -11 3 1 538.489 112.502 1 11 3 1 421.927 79.7626 1 -11 3 -1 374.954 220.907 6 -11 -3 -1 449.188 190.226 6 -11 -3 1 645.670 169.442 4 -11 3 2 25662.8 1091.51 1 11 3 2 22217.5 908.613 1 -11 -3 -2 26443.4 1309.38 6 -11 3 -2 25972.2 1395.54 6 11 3 2 26540.8 1049.73 4 11 -3 2 27327.8 1324.59 4 11 -3 3 8144.88 530.331 3 -11 -3 3 8584.57 551.382 3 -11 3 3 8276.20 751.774 1 11 3 3 7948.09 674.319 1 -11 -3 -3 8761.79 794.046 6 -11 3 -3 7885.03 796.019 6 11 -3 3 7790.13 740.159 4 11 3 3 9082.81 669.443 4 11 3 4 448.893 196.226 4 11 -3 4 45.3845 117.645 4 11 -3 5 17951.1 1280.74 4 11 3 5 18262.2 1142.19 4 11 -3 6 1074.55 344.378 4 11 3 6 1289.12 350.805 4 11 3 7 4431.44 704.578 4 11 -3 7 3166.89 628.319 4 11 3 8-102.317 168.039 4 11 -3 8 768.208 409.917 4 11 3 9 2279.80 614.447 4 -11 -4 0 121.787 75.3139 4 -11 -4 0 114.271 123.907 6 -11 4 0-223.344 196.495 6 -11 4 1 30715.1 708.865 3 11 4 1 32785.5 739.791 3 -11 4 -1 31121.9 910.276 1 11 4 -1 31384.0 936.402 1 -11 4 -1 31944.2 1508.21 6 -11 -4 -1 32285.2 1375.25 6 -11 -4 1 31524.2 1034.86 4 -11 -4 -1 34622.8 1102.24 4 11 4 2-10.7437 64.1625 1 -11 4 2-23.0449 79.7688 1 11 4 -2 171.374 131.571 1 -11 4 -2 144.799 137.152 1 -11 -4 -2 272.532 193.636 6 -11 4 -2 239.608 218.734 6 11 -4 2 177.251 182.706 4 11 4 2 216.670 108.123 4 11 -4 3 680.732 173.362 3 -11 -4 3 439.473 140.510 3 11 4 -3 525.379 179.937 1 -11 4 3 421.115 168.140 1 11 4 3 376.241 158.440 1 -11 4 -3 739.963 225.518 1 -11 4 -3 1141.01 335.388 6 11 4 3 923.935 211.002 4 11 -4 3 584.758 215.021 4 11 -4 4 17130.2 1193.70 4 11 4 4 17441.7 985.460 4 11 -4 5 495.318 243.820 4 11 4 5 1292.24 313.389 4 11 4 6 3161.83 527.512 4 11 -4 6 2184.20 496.313 4 11 4 7 2265.13 509.389 4 11 -4 7 3221.66 643.523 4 11 4 8 1492.66 470.004 4 11 -4 8 1358.81 451.387 4 11 4 9 800.928 410.050 4 -11 -5 0 146.341 80.6868 4 -11 -5 0 49.8450 94.8682 6 -11 5 0 88.9271 145.173 6 -11 5 1 886.379 150.922 3 11 5 1 807.508 149.248 3 -11 5 -1 1043.54 312.775 6 -11 -5 -1 878.268 225.942 6 -11 -5 1 865.909 169.817 4 -11 5 -2 28659.8 1153.42 1 11 5 -2 31380.9 1231.80 1 -11 5 -2 31066.2 1564.26 6 -11 -5 -2 31092.4 1394.22 6 11 5 2 30704.2 1006.22 4 11 -5 2 30643.6 1490.38 4 11 -5 3 3729.40 395.766 3 -11 -5 3 3937.29 413.409 3 11 5 -3 4297.01 562.645 1 -11 5 -3 4811.20 593.362 1 -11 5 -3 4107.81 597.134 6 11 5 3 4323.31 425.402 4 11 -5 3 3545.97 524.587 4 11 5 -4 224.772 179.016 1 -11 5 -4 152.143 193.157 1 11 5 4 118.810 118.850 4 11 -5 4-55.5749 182.586 4 11 -5 5 3456.16 594.949 4 11 5 5 3661.99 496.972 4 11 5 6 198.104 209.313 4 11 -5 6-127.000 212.889 4 11 5 7 1720.63 435.776 4 11 -5 7 1533.58 466.440 4 11 5 8-112.619 292.564 4 11 -5 8 1083.61 449.569 4 11 5 9 637.444 362.223 4 -11 -6 0 27.2433 36.8827 4 11 6 0 12.7403 48.2675 3 -11 6 0 41.3160 67.1538 3 -11 -6 0 73.8310 106.010 6 -11 6 0-90.7110 136.583 6 -11 6 1 7427.35 463.341 3 11 6 1 7702.81 482.197 3 -11 6 -1 7939.31 788.223 6 -11 -6 -1 8433.08 705.633 6 -11 -6 1 8013.20 456.887 4 -11 -6 -2 259.396 137.282 6 -11 6 -2 120.426 137.371 6 11 -6 2-64.0278 164.897 4 11 6 -3 20495.4 1201.09 1 -11 6 -3 21138.2 1190.03 1 -11 6 -3 20049.3 1320.32 6 11 -6 3 20522.5 1297.45 4 11 6 3 20394.1 879.355 4 11 6 -4 3.33847 116.179 1 -11 6 -4 255.558 174.530 1 11 6 4 82.6272 92.8174 4 11 -6 4 356.879 214.449 4 11 6 -5 1555.34 474.588 1 -11 6 -5 1251.74 381.169 1 11 6 5 1339.37 303.340 4 11 -6 5 1584.95 426.757 4 11 6 6-48.7895 138.346 4 11 -6 6 253.025 219.400 4 11 6 7 1500.66 416.798 4 11 -6 7 983.590 378.228 4 11 -6 8 2000.19 616.802 4 -11 7 0 68.3730 77.7545 3 11 7 0 6.75088 58.1051 3 -11 7 0-155.053 168.291 6 -11 7 1 731.365 179.561 3 11 7 1 489.544 144.816 3 -11 -7 1 685.634 122.994 4 -11 -7 -1 520.241 180.468 6 -11 7 -1 190.613 129.602 6 -11 -7 -2 23745.0 1197.24 6 -11 7 -2 24549.1 1450.11 6 11 -7 2 22867.7 1359.26 4 -11 7 -3 1571.26 327.697 1 11 7 -3 1648.65 351.345 1 -11 7 -3 2280.39 464.573 6 11 7 3 1485.46 235.191 4 11 -7 3 1202.51 353.426 4 11 7 -4 2109.50 455.684 1 -11 7 -4 1256.63 346.042 1 11 7 4 1469.24 270.716 4 11 -7 4 1819.85 445.400 4 11 7 -5 427.622 272.906 1 -11 7 -5 81.4403 171.220 1 11 7 5 239.129 139.624 4 11 -7 5 87.2340 162.732 4 11 7 6-65.2435 159.728 4 11 -7 6 164.620 244.729 4 11 7 -6-56.6470 272.929 1 -11 7 -6 138.625 215.464 1 11 -7 7 3377.61 709.718 4 -11 8 0 46.7041 61.6582 3 11 8 0-39.3542 101.121 3 -11 8 0-104.207 144.478 6 -11 -8 0-20.0308 81.5689 6 -11 8 1 22000.1 944.426 3 11 8 1 24168.5 1007.36 3 -11 -8 1 22617.2 1065.48 6 -11 8 -1 23295.9 1373.84 6 -11 -8 -1 23870.8 1119.18 6 -11 8 -2 7603.43 827.197 6 11 -8 2 6070.82 739.496 4 -11 8 -3 7386.06 835.630 6 11 -8 3 7619.34 835.387 4 11 8 -4 926.491 364.245 1 -11 8 -4 891.797 309.426 1 11 -8 4 786.536 314.767 4 11 8 -5 1799.60 494.366 1 -11 8 -5 2280.39 524.756 1 11 -8 5 2551.92 545.966 4 11 8 -6 5334.71 894.007 1 -11 8 -6 5817.72 895.585 1 11 -8 6 5845.40 855.975 4 11 -8 7 687.251 382.877 4 -11 8 -7 783.604 395.087 1 11 8 -7 314.563 308.771 1 -11 9 0 97.0917 93.3781 3 11 9 0-34.9083 77.1648 3 -11 9 0-160.687 155.749 6 -11 -9 0-45.0398 82.6214 6 11 9 -1 2899.63 399.976 3 -11 9 1 2387.70 335.254 3 11 9 1 2774.36 378.435 3 -11 9 -1 2467.26 356.006 3 -11 -9 1 2764.72 383.014 6 -11 -9 -1 2596.36 369.011 6 -11 9 -1 3097.86 533.862 6 -11 9 -2 25736.5 1526.74 6 11 -9 2 22782.6 1437.16 4 -11 9 -3 2416.51 486.848 6 11 -9 3 1985.29 423.411 4 -11 9 -4 468.955 239.002 1 11 9 -4 1117.81 369.573 1 11 -9 4 982.229 372.557 4 11 9 -5 400.687 254.362 1 -11 9 -5 353.822 228.812 1 11 -9 5 232.543 201.827 4 11 9 -6-20.7751 234.913 1 -11 9 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148.012 3 -11 13 0 64.7476 183.236 6 -11 13 -1 2692.53 453.818 3 -11 13 1 3107.86 474.271 3 11 13 -1 3242.82 511.608 3 11 13 1 3245.67 509.937 3 -11 13 1 2825.99 512.119 6 -11 13 -1 3201.09 572.110 6 -11 13 1 3178.98 662.510 5 -11 13 2 9477.20 1077.06 5 -11 13 -2 8293.90 922.005 6 -11 13 -3 1234.46 397.594 6 -11 13 3 1481.50 376.734 5 11 -13 3 1508.57 460.055 4 11 -13 4 280.810 260.765 4 -11 13 -4 479.308 369.861 5 -11 13 -5 1207.84 416.498 1 11 13 -5 708.225 351.391 1 -11 13 -5 796.821 435.895 5 11 -13 5 730.374 372.206 4 11 13 -6 48.3534 273.091 1 -11 13 -6 24.6940 239.995 1 -11 13 -7-192.043 255.894 1 -11 14 0-103.709 154.192 3 11 14 0-53.3704 109.287 3 -11 14 0-126.418 126.341 6 -11 14 0-403.092 395.147 5 -11 14 -1 2757.45 472.552 3 11 14 -1 2974.60 532.447 3 -11 14 1 2588.41 454.349 3 11 14 1 4299.86 596.588 3 -11 14 1 3587.34 579.903 6 -11 14 -1 3235.12 559.303 6 -11 14 1 2194.81 557.909 5 -11 14 -1 3062.66 757.658 5 -11 14 -2 1258.45 381.260 6 -11 14 2 1187.49 385.896 5 -11 14 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3 11 16 -1 4331.73 681.547 3 -11 16 1 3613.53 598.326 3 11 16 1 5018.33 700.161 3 -11 16 1 4160.66 642.183 6 -11 16 -1 4277.42 660.019 6 -11 16 -1 4729.87 986.543 5 -11 16 1 4528.01 813.758 5 -11 16 2 381.074 224.410 3 11 16 2 388.532 202.299 3 -11 16 -2 251.392 225.566 6 -11 16 2 242.570 142.885 6 -11 16 -2 978.475 554.186 5 -11 16 2 356.133 217.729 5 -11 16 -3 2732.98 808.425 5 -11 17 0-103.745 126.990 3 11 17 0-88.2112 195.868 3 -11 17 0-241.939 182.470 6 -11 17 0-194.545 274.992 5 -11 17 -1 803.155 311.309 3 11 17 -1 461.721 265.410 3 -11 17 1 654.257 245.115 3 11 17 1 180.699 237.620 3 -11 17 1 786.930 318.119 6 -11 17 -1 158.059 133.135 6 -11 17 1 760.318 347.706 5 -11 17 -1-168.961 322.212 5 11 17 2 5694.46 779.009 3 -11 17 2 5938.61 780.692 3 -11 17 2 5840.15 758.831 6 -11 17 -2 5493.61 764.757 6 -11 17 2 5736.66 858.965 5 -11 17 -2 7514.88 1293.03 5 -11 17 -3-146.673 271.896 5 -11 18 0 315.221 204.338 3 11 18 0 186.310 202.382 3 -11 18 0 274.202 226.216 6 -11 18 0-193.465 200.167 5 -11 18 -1 1868.84 469.206 3 11 18 -1 2620.22 573.790 3 -11 18 1 1914.07 464.601 3 11 18 1 1719.93 479.791 3 -11 18 -1 1129.19 353.361 6 -11 18 1 1714.06 427.459 6 -11 18 1 1230.01 458.831 5 -11 18 -1 1405.69 599.374 5 -11 18 2-3.18981 150.205 3 11 18 2 55.2561 166.276 3 -11 18 2-19.8339 159.176 6 -11 18 -2 298.603 197.318 6 -11 18 -2 332.766 221.294 5 -11 18 3 409.350 247.386 6 -11 19 0 282.513 250.705 3 11 19 0-270.795 244.567 3 -11 19 0 187.751 321.232 5 -11 19 -1 147.490 138.589 3 11 19 -1-106.234 255.795 3 -11 19 1 112.438 194.297 3 -11 19 1 411.739 318.845 5 -11 19 -1 784.190 489.303 5 -11 19 2 1360.12 421.814 3 -11 19 3 995.985 381.446 3 -11 20 0-163.630 242.144 3 -11 20 -1 1232.36 451.973 3 -11 20 1 759.763 345.932 3 -11 20 1 788.226 390.234 5 -12 0 0 2655.26 426.564 6 -12 0 -1 188224. 3664.51 6 -12 0 2 939.018 101.472 3 -12 0 -2 616.129 228.679 6 12 0 2 1036.94 281.642 4 -12 0 -3 24063.0 1413.72 6 12 0 3 23437.4 1228.88 4 12 0 4 8149.39 766.897 4 12 0 5 15430.8 1140.76 4 12 0 6 997.625 366.245 4 12 0 7 3303.63 637.367 4 12 0 8 1783.76 525.353 4 -12 -1 0 83710.6 2366.99 6 -12 1 0 84608.3 2431.85 6 -12 1 -1 16254.1 1079.19 6 -12 -1 -1 14951.7 1028.49 6 12 1 2 6372.91 232.556 3 -12 1 2 7038.61 291.586 3 -12 -1 -2 7309.19 736.993 6 -12 1 -2 5557.25 678.066 6 12 1 2 6314.29 588.003 4 12 -1 2 6245.37 633.500 4 -12 -1 3 3418.65 335.287 3 -12 -1 -3 4364.97 615.633 6 -12 1 -3 3876.48 573.136 6 12 -1 3 3502.11 497.804 4 12 1 3 3428.05 455.639 4 12 1 4 855.638 249.843 4 12 -1 4 643.409 243.555 4 12 -1 5 1254.56 338.340 4 12 1 5 1151.03 334.072 4 12 -1 6 258.789 190.990 4 12 1 6 79.1336 157.195 4 12 -1 7 350.964 221.177 4 12 1 7 485.495 293.268 4 12 -1 8 288.096 337.109 4 12 1 8 806.916 432.846 4 -12 -2 0 834.327 238.501 6 -12 2 0 417.409 189.636 6 -12 -2 -1 50791.3 1858.41 6 -12 2 -1 50648.7 1935.13 6 -12 -2 -2 14200.6 1022.57 6 -12 2 -2 14914.6 1100.85 6 12 2 2 14055.4 836.522 4 12 -2 2 14995.6 987.188 4 -12 -2 3-24.9853 65.8232 3 -12 -2 -3-47.0021 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14332.6 1111.47 6 -16 -8 -2 14769.0 1184.71 6 -16 8 -2 14533.7 1363.42 6 -16 8 -3 7294.05 1007.91 6 -16 8 -4 8984.07 1132.88 6 16 -8 4 7799.88 1009.00 4 -16 9 0 4379.85 730.787 6 -16 9 1 1549.71 449.248 6 -16 9 -1 691.860 291.024 6 -16 9 -2 6144.36 915.530 6 -16 9 -3 2383.44 608.743 6 -16 9 -4 172.033 265.869 6 16 -9 4 285.412 325.267 4 -16 10 0 194.485 184.143 6 -16 10 1 167.870 264.627 6 -16 10 -1-308.683 255.413 6 -16 10 -2 4415.68 796.258 6 -16 10 2 4032.30 725.058 6 -16 10 -3 605.488 409.608 6 -16 11 0-16.1548 176.533 6 -16 11 1 6733.48 927.034 6 -16 11 -1 5955.58 880.763 6 -16 11 -2 3393.66 706.454 6 -16 11 2 3944.83 729.723 6 -16 11 -3 611.018 286.402 6 -16 12 0 1026.81 407.356 6 -16 12 1 1059.83 394.491 6 -16 12 -1 780.270 420.566 6 -16 12 2 984.076 368.627 6 -16 12 -2 1962.68 559.476 6 -16 13 0-341.768 343.333 6 -16 13 1 7916.49 1032.40 6 -16 13 -1 7189.65 1006.55 6 -16 15 1 1161.74 503.982 5 -17 0 0-254.495 281.978 6 -17 0 1 3198.17 598.439 6 -17 0 -1 4551.58 724.132 6 -17 0 -2 5278.91 785.122 6 -17 0 -3 2176.75 537.134 6 17 0 4 2613.69 530.255 4 17 0 5 1659.44 429.141 4 -17 -1 0 82.0848 172.701 6 -17 1 0-177.230 225.746 6 -17 -1 1 4601.99 707.309 6 -17 1 1 4842.16 734.169 6 -17 -1 -1 4611.63 730.078 6 -17 1 -1 4154.61 701.573 6 -17 -1 -2 3778.02 659.706 6 -17 1 -2 4488.29 742.915 6 -17 -1 -3 187.413 281.862 6 -17 1 -3 495.626 240.632 6 17 1 4 1693.92 420.679 4 17 -1 4 1045.77 376.623 4 17 -1 5 2763.41 554.619 4 17 -1 6 511.878 276.996 4 -17 -2 0-102.161 189.491 6 -17 2 0 168.126 219.301 6 -17 -2 1 340.108 234.848 6 -17 2 1 305.467 218.249 6 -17 -2 -1 164.572 198.708 6 -17 2 -1 336.878 276.670 6 -17 -2 -2 3945.52 678.947 6 -17 2 -2 4825.13 781.498 6 -17 -2 -3 4497.14 740.665 6 -17 2 -3 3625.38 668.885 6 17 -2 4 417.409 282.587 4 17 -2 5-92.7309 144.683 4 17 -2 6 559.280 259.662 4 -17 3 0-240.080 270.657 6 -17 -3 0 149.892 186.748 6 -17 -3 1 1802.58 457.053 6 -17 3 1 1841.86 507.914 6 -17 -3 -1 1862.62 468.940 6 -17 3 -1 1630.12 462.472 6 -17 -3 -2 1964.81 493.539 6 -17 3 -2 989.019 395.960 6 -17 -3 -3 4427.23 732.490 6 -17 3 -3 3593.69 678.966 6 -17 3 -4 165.033 283.658 6 17 -3 4 380.684 233.051 4 17 -3 5 95.6036 255.982 4 17 -3 6 306.403 276.278 4 -17 4 0 177.245 220.468 6 -17 -4 0-96.3766 201.950 6 -17 -4 1 1634.79 415.023 6 -17 4 1 1781.71 474.223 6 -17 -4 -1 2697.45 574.490 6 -17 4 -1 2634.06 606.509 6 -17 -4 -2 11205.5 1116.37 6 -17 4 -2 11695.1 1227.66 6 -17 -4 -3 68.2473 212.621 6 -17 4 -3 8.32890 182.292 6 -17 4 -4-122.424 292.034 6 17 -4 4 463.516 268.982 4 17 -4 5-126.908 220.082 4 -17 5 0-174.814 200.913 6 -17 -5 0-162.090 206.257 6 -17 -5 1 6882.26 833.297 6 -17 5 1 8220.47 987.061 6 -17 -5 -1 8151.00 941.829 6 -17 5 -1 8320.61 1023.15 6 -17 -5 -2 3583.48 663.516 6 -17 -5 2 2616.27 524.204 6 -17 5 -2 2568.01 581.787 6 -17 5 -3 552.655 307.472 6 -17 5 -4 119.289 183.775 6 17 -5 4 151.973 177.757 4 17 -5 5 123.108 187.866 4 -17 6 0 40.2822 225.522 6 -17 -6 0 366.210 240.578 6 -17 -6 1 499.902 204.387 6 -17 6 1 519.948 357.637 6 -17 -6 -1 741.089 326.935 6 -17 6 -1 606.449 315.519 6 -17 -6 -2 3596.82 628.729 6 -17 -6 2 3432.15 596.253 6 -17 6 -2 4320.07 782.871 6 -17 6 -3 3350.90 691.580 6 -17 6 -4 57.8559 202.584 6 17 -6 4 173.760 155.730 4 17 -6 5-96.1277 258.999 4 -17 7 0-3.53558 168.649 6 -17 -7 0-78.1194 156.653 6 -17 -7 1 651.320 268.241 6 -17 7 1 1015.63 361.309 6 -17 -7 -1 407.218 245.203 6 -17 7 -1 1051.87 447.348 6 -17 -7 -2 2969.46 571.352 6 -17 -7 2 4148.34 636.443 6 -17 7 -2 4617.17 804.996 6 -17 7 -3 584.504 325.149 6 -17 8 0-21.7540 250.276 6 -17 -8 0 25.4889 133.527 6 -17 8 1 2859.31 643.961 6 -17 -8 -1 2021.23 443.341 6 -17 8 -1 2883.08 716.777 6 -17 -8 1 2059.45 440.659 6 -17 -8 -2 2079.36 509.052 6 -17 -8 2 2994.34 543.861 6 -17 8 -2 2563.55 600.899 6 -17 8 2 1597.62 455.095 6 -17 8 -3 1581.38 514.411 6 -17 9 0-84.1934 219.283 6 -17 9 1 4944.56 796.023 6 -17 9 -1 4007.72 763.184 6 -17 9 -2 1054.61 379.826 6 -17 9 2 1744.02 505.588 6 -17 10 0 100.737 227.957 6 -17 10 1 283.274 209.993 6 -17 10 -1 609.903 403.361 6 -17 10 2 3878.41 760.593 6 -17 10 -2 4639.75 830.722 6 -17 11 0-80.6231 204.273 6 -17 11 1 1218.52 464.898 6 -17 11 -1 1143.97 433.996 6 -18 0 0 1119.52 387.503 6 -18 0 1 1325.48 421.866 6 -18 0 -1 1733.14 485.077 6 -18 0 -2 2264.51 567.761 6 -18 0 2 2265.10 518.192 6 -18 0 -3 975.948 364.270 6 -18 1 0 179.271 244.631 6 -18 -1 0 294.101 266.800 6 -18 -1 1 1255.14 418.177 6 -18 1 1 1902.93 503.044 6 -18 -1 -1 2066.12 507.062 6 -18 1 -1 1469.02 486.858 6 -18 -1 -2 3907.77 712.077 6 -18 1 -2 4209.91 732.310 6 -18 -1 2 4070.88 693.779 6 -18 -1 -3 2746.19 619.514 6 -18 1 -3 1517.53 471.574 6 18 -1 5 902.674 347.795 4 -18 -2 0 10215.6 1085.35 6 -18 2 0 8626.97 1020.33 6 -18 -2 1 2842.64 570.784 6 -18 2 1 3199.10 627.399 6 -18 -2 -1 2744.08 561.122 6 -18 2 -1 2947.74 616.995 6 -18 -2 -2 473.143 303.101 6 -18 2 -2 303.736 208.756 6 -18 -2 2 410.959 233.961 6 -18 -2 -3 144.377 194.631 6 -18 2 -3 174.025 244.365 6 18 -2 5-7.34959 220.734 4 -18 3 0 285.179 249.712 6 -18 -3 0 105.187 195.020 6 -18 -3 1 20825.9 1506.31 6 -18 3 1 21322.0 1605.80 6 -18 -3 -1 20670.7 1558.82 6 -18 3 -1 21485.6 1646.44 6 -18 -3 -2 185.178 166.697 6 -18 -3 2-370.095 290.147 6 -18 3 -2-169.483 248.729 6 -18 3 2 183.653 166.987 6 -18 -3 -3 1168.48 391.838 6 -18 3 -3 1933.81 509.628 6 18 -3 5 736.073 331.859 4 -18 -4 0 17681.6 1389.64 6 -18 4 0 15335.5 1374.94 6 -18 -4 1 17367.1 1375.45 6 -18 4 1 17013.7 1449.83 6 -18 -4 -1 16376.8 1385.75 6 -18 4 -1 17193.3 1496.21 6 -18 -4 -2 4506.21 745.246 6 -18 -4 2 3848.99 642.808 6 -18 4 -2 5766.11 893.535 6 -18 4 2 4620.15 761.308 6 -18 -4 -3 2116.87 550.358 6 -18 4 -3 2582.97 604.565 6 18 -4 5 4097.94 729.332 4 -18 5 0 2714.57 622.393 6 -18 -5 0 2171.41 499.456 6 -18 -5 1 11248.6 1093.02 6 -18 5 1 9217.83 1081.69 6 -18 -5 -1 11126.5 1125.16 6 -18 5 -1 11643.2 1249.06 6 -18 -5 -2 45.8855 189.950 6 -18 -5 2 593.028 258.271 6 -18 5 -2 864.967 413.971 6 -18 5 2 93.9995 202.777 6 -18 5 -3 921.624 440.921 6 -18 6 0 2057.87 516.053 6 -18 -6 0 2759.65 558.519 6 -18 -6 1 3211.48 594.755 6 -18 6 1 2768.49 626.303 6 -18 -6 -1 2591.99 552.685 6 -18 6 -1 3449.55 680.686 6 -18 -6 -2 677.074 273.833 6 -18 -6 2 685.652 324.580 6 -18 6 -2 1116.83 425.529 6 -18 6 2 770.457 312.672 6 -18 7 0 1523.71 495.521 6 -18 -7 0 1213.98 391.267 6 -18 7 1 288.415 247.257 6 -18 -7 -1 298.815 162.525 6 -18 7 -1 175.603 248.204 6 -18 -7 1 109.072 153.356 6 -18 -7 2 631.191 244.774 6 -18 -7 -2 1870.83 499.777 6 -18 7 -2 1923.21 593.150 6 -18 7 2 1812.88 522.466 6 -18 8 0 144.627 206.575 6 -18 8 1 53.0980 203.825 6 -18 8 -1 938.160 416.925 6 -19 0 0-0.79618 203.844 6 -19 0 1 184.310 242.239 6 -19 0 -1 536.129 280.572 6 -19 0 2 1360.71 466.515 6 -19 0 -2 1970.33 498.744 6 -19 0 -3 466.631 348.282 6 -19 -1 0 169.196 243.740 6 -19 1 0-58.5700 227.747 6 -19 -1 1 1264.19 415.175 6 -19 1 1 963.438 403.915 6 -19 -1 -1 1080.49 410.191 6 -19 1 -1 669.580 350.081 6 -19 -1 -2 247.324 152.669 6 -19 -1 2-94.9829 184.577 6 -19 1 2 8.84283 221.952 6 -19 1 -2-90.0850 272.639 6 -19 -1 -3 1263.29 468.139 6 -19 1 -3 338.595 285.172 6 -19 -2 0-136.295 201.888 6 -19 2 0 203.254 263.147 6 -19 -2 1 1130.78 382.631 6 -19 2 1 1171.41 383.866 6 -19 -2 -1 1676.27 471.271 6 -19 2 -1 796.439 337.574 6 -19 -2 2 4174.52 725.468 6 -19 -2 -2 3174.01 658.348 6 -19 2 2 3087.02 643.428 6 -19 2 -2 4113.75 762.648 6 -19 -2 -3 276.785 295.413 6 -19 -3 0-338.568 281.963 6 -19 3 0 103.654 164.014 6 -19 -3 1 1961.98 502.714 6 -19 3 1 2400.75 581.892 6 -19 -3 -1 1275.37 437.085 6 -19 3 -1 2270.76 569.530 6 -19 -3 2 1029.06 364.906 6 -19 -3 -2 837.278 374.074 6 -19 3 2 994.150 392.973 6 -19 3 -2 931.293 388.516 6 -19 -3 -3 1385.07 462.141 6 -19 -4 0 115.719 290.010 6 -19 4 0-289.237 247.869 6 -19 -4 1-112.995 183.660 6 -19 4 1 135.267 186.798 6 -19 -4 -1 497.428 286.299 6 -19 4 -1 409.313 286.208 6 -19 -4 2 3021.88 651.319 6 -19 -4 -2 2167.80 541.629 6 -19 -4 -3 49.0539 225.771 6 -19 -5 0-58.1240 138.748 6 -19 5 0-90.4043 194.929 6 -19 -5 1 500.672 292.105 6 -19 -5 -1 584.903 313.900 6 -19 -5 2 298.254 284.703 6 -19 -5 -2 214.437 235.983 6 -19 -6 0 4653.31 935.509 6 -19 -6 -1 257.197 237.951 6 -19 -6 1 260.997 230.645 6 -19 -6 2 1457.50 427.047 6 -19 -6 -2 2330.53 552.290 6 -19 -6 3 2.99635 202.872 6 -19 -7 0 201.273 246.158 6 -20 0 0 11414.4 1244.14 6 -20 0 1 1743.03 507.095 6 -20 0 -1 1459.05 472.265 6 -20 -1 0 2360.31 557.635 6 -20 -1 1 1282.72 426.056 6 -20 -1 -1 587.283 315.717 6 -20 -2 0 1678.08 491.957 6 -20 -2 1-138.106 259.810 6 -20 -2 -1-347.079 311.259 6 -20 -2 2 1571.46 501.828 6 -20 -2 -2 1214.15 443.822 6 -20 -3 0 231.290 241.558 6 -20 -3 1 786.385 341.494 6 -20 -3 -1 1071.22 424.329 6 -20 -3 2 198.599 156.135 6 -20 -3 -2 664.317 372.208 6 -20 -4 0-173.559 230.738 6 -20 -4 1 2806.16 593.199 6 -20 -4 -1 2515.50 589.579 6 -20 -4 2 25.0133 180.442 6 -20 -4 -2 67.0587 157.770 6 -20 -5 0 413.754 267.239 6 -20 -5 -1 835.299 393.940 6 -20 -5 1 484.317 270.748 6 -20 -5 2 516.457 323.516 6 -20 -5 -2 305.823 229.928 6 -20 -6 0 1279.92 384.085 6 -20 -6 -1 272.433 196.209 6 -20 -6 1-5.09789 164.532 6 -20 -6 2 632.224 310.254 6 -20 -6 -2 1868.36 568.597 6 0 0 0 0.00 0.00 0 TITL II in Pnma REM Pnma (#62, found as Pbnm in bca setting) CELL 0.71073 15.601329 17.264414 8.109935 90.0000 90.0000 90.0000 ZERR 4.00 0.000331 0.000324 0.000182 0.0000 0.0000 0.0000 LATT 1 SYMM -x+1/2,-y, z+1/2 SYMM -x, y+1/2,-z SYMM x+1/2,-y+1/2,-z+1/2 SFAC C H N O Zn Cd I UNIT 80.00 80.00 20.00 8.00 4.00 4.00 8.00 TREF HKLF 4 END ; _shelx_hkl_checksum 97012 _shelx_res_file ; TITL II_a.res in Pnma II.res created by SHELXL-2018/3 at 09:47:05 on 16-Jan-2023 REM Old TITL II in Pnma REM SHELXT solution in Pnma: R1 0.150, Rweak 0.010, Alpha 0.019 REM 1.005 for 264 systematic absences, Orientation as input REM Formula found by SHELXT: C3 N4 Zn Cd1 I3 CELL 0.71073 15.6013 17.2644 8.1099 90 90 90 ZERR 4 0.0003 0.0003 0.0002 0 0 0 LATT 1 SYMM 0.5-X,-Y,0.5+Z SYMM -X,0.5+Y,-Z SYMM 0.5+X,0.5-Y,0.5-Z SFAC C H Cd I N Zn UNIT 40 96 4 16 16 4 EQIV $1 1-X,1-Y,1-Z EQIV $2 -0.5+X,+Y,1.5-Z L.S. 11 PLAN 7 CONF HTAB N1 I2 HTAB N1 I1 HTAB N2 I1 HTAB N2 I3_$2 HTAB C3 I1_$1 HTAB C5 I1_$1 BIND Zn1 N1_$1 BIND Zn1 N2_$1 FREE Zn1 Zn1_$1 MORE -1 BOND $H htab fmap 2 acta SHEL 999 0.75 OMIT 2 0 1 OMIT 2 0 0 REM REM REM WGHT 0.022600 2.051800 FVAR 1.43183 I1 4 0.606304 0.619477 0.729715 11.00000 0.04570 0.03772 = 0.04475 0.00554 -0.00578 -0.01092 I2 4 0.656295 0.750000 0.255216 10.50000 0.04402 0.04061 = 0.04855 0.00000 0.00180 0.00000 I3 4 0.858892 0.750000 0.673247 10.50000 0.03479 0.05147 = 0.05947 0.00000 -0.00691 0.00000 CD1 3 0.688152 0.750000 0.591936 10.50000 0.03539 0.03203 = 0.05434 0.00000 -0.00330 0.00000 ZN1 6 0.509990 0.515520 0.519517 10.50000 0.02970 0.03767 = 0.03022 0.00695 0.00305 0.00883 N1 5 0.530189 0.568791 0.300133 11.00000 0.04330 0.03397 = 0.03216 0.00080 -0.00375 -0.00404 PART 2 AFIX 3 H1 2 0.553580 0.612411 0.344223 11.00000 -1.20000 AFIX 0 PART 0 N2 5 0.392501 0.564027 0.568103 11.00000 0.03231 0.03645 = 0.04587 -0.00297 -0.00216 0.00045 PART 2 AFIX 3 H2 2 0.413021 0.607917 0.616123 11.00000 -1.20000 AFIX 0 PART 0 C1 1 0.592787 0.525506 0.201171 11.00000 0.05367 0.05313 = 0.03477 -0.00170 0.01657 -0.01087 AFIX 23 H1A 2 0.623595 0.560764 0.129340 11.00000 -1.20000 H1B 2 0.563348 0.487810 0.132915 11.00000 -1.20000 AFIX 0 C2 1 0.344855 0.515321 0.685610 11.00000 0.03461 0.05048 = 0.06611 -0.00452 0.01649 -0.00013 AFIX 23 H2A 2 0.310992 0.477403 0.626059 11.00000 -1.20000 H2B 2 0.306174 0.547248 0.750024 11.00000 -1.20000 AFIX 0 C3 1 0.457344 0.599282 0.204988 11.00000 0.05330 0.04017 = 0.03766 0.01029 -0.01028 -0.00323 AFIX 23 H3A 2 0.427594 0.556651 0.152125 11.00000 -1.20000 H3B 2 0.478559 0.633453 0.119263 11.00000 -1.20000 AFIX 0 C4 1 0.394256 0.643834 0.314766 11.00000 0.06155 0.03761 = 0.06632 0.00660 -0.02657 0.01072 AFIX 23 H4A 2 0.426472 0.681033 0.379528 11.00000 -1.20000 H4B 2 0.355727 0.672860 0.244098 11.00000 -1.20000 AFIX 0 C5 1 0.340511 0.595012 0.432015 11.00000 0.03422 0.04548 = 0.06354 -0.00295 -0.00473 0.00939 AFIX 23 H5A 2 0.294530 0.626459 0.476734 11.00000 -1.20000 H5B 2 0.314889 0.552420 0.371555 11.00000 -1.20000 AFIX 0 HKLF 4 REM II_a.res in Pnma REM wR2 = 0.0648, GooF = S = 1.042, Restrained GooF = 1.042 for all data REM R1 = 0.0323 for 2096 Fo > 4sig(Fo) and 0.0445 for all 2582 data REM 100 parameters refined using 0 restraints END WGHT 0.0227 2.0987 REM Instructions for potential hydrogen bonds HTAB N1 I1 HTAB N1 I2 HTAB N2 I1 HTAB N2 I3_$2 HTAB C3 I1_$1 HTAB C5 I1_$1 REM Highest difference peak 1.360, deepest hole -0.938, 1-sigma level 0.142 Q1 1 0.7010 0.7227 0.4986 11.00000 0.05 1.36 Q2 1 0.8401 0.7500 0.7627 10.50000 0.05 1.05 Q3 1 0.6595 0.7500 0.1508 10.50000 0.05 1.01 Q4 1 0.8413 0.7115 0.6262 11.00000 0.05 0.89 Q5 1 0.5583 0.7500 0.8634 10.50000 0.05 0.68 Q6 1 0.8925 0.7500 0.6725 10.50000 0.05 0.67 Q7 1 0.6828 0.7196 0.2717 11.00000 0.05 0.59 ; _shelx_res_checksum 96556 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x+1/2, -y, z+1/2' '-x, y+1/2, -z' 'x+1/2, -y+1/2, -z+1/2' '-x, -y, -z' 'x-1/2, y, -z-1/2' 'x, -y-1/2, z' '-x-1/2, y-1/2, z-1/2' loop_ _atom_site_type_symbol _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_calc_flag _atom_site_occupancy _atom_site_disorder_assembly _atom_site_disorder_group I I1 0.60630(2) 0.61948(2) 0.72972(4) 0.04273(11) Uani d 1 . . I I2 0.65629(3) 0.750000 0.25522(7) 0.04439(14) Uani d 1 . . I I3 0.85889(3) 0.750000 0.67325(8) 0.04858(15) Uani d 1 . . Cd Cd1 0.68815(3) 0.750000 0.59194(7) 0.04059(15) Uani d 1 . . Zn Zn1 0.50999(12) 0.51552(8) 0.5195(2) 0.0325(4) Uani d 0.5 . . N N1 0.5302(3) 0.5688(2) 0.3001(5) 0.0365(10) Uani d 1 . . H H1 0.553580 0.612411 0.344223 0.044 Uiso d 1 A 2 N N2 0.3925(2) 0.5640(2) 0.5681(5) 0.0382(10) Uani d 1 . . H H2 0.413021 0.607917 0.616123 0.046 Uiso d 1 B 2 C C1 0.5928(4) 0.5255(3) 0.2012(6) 0.0472(14) Uani d 1 . . H H1A 0.623595 0.560764 0.129340 0.057 Uiso calc 1 . . H H1B 0.563348 0.487810 0.132915 0.057 Uiso calc 1 . . C C2 0.3449(3) 0.5153(3) 0.6856(8) 0.0504(15) Uani d 1 . . H H2A 0.310992 0.477403 0.626059 0.060 Uiso calc 1 . . H H2B 0.306174 0.547248 0.750024 0.060 Uiso calc 1 . . C C3 0.4573(3) 0.5993(3) 0.2050(6) 0.0437(13) Uani d 1 . . H H3A 0.427594 0.556651 0.152125 0.052 Uiso calc 1 . . H H3B 0.478559 0.633453 0.119263 0.052 Uiso calc 1 . . C C4 0.3943(4) 0.6438(3) 0.3148(8) 0.0552(16) Uani d 1 . . H H4A 0.426472 0.681033 0.379528 0.066 Uiso calc 1 . . H H4B 0.355727 0.672860 0.244098 0.066 Uiso calc 1 . . C C5 0.3405(3) 0.5950(3) 0.4320(7) 0.0477(14) Uani d 1 . . H H5A 0.294530 0.626459 0.476734 0.057 Uiso calc 1 . . H H5B 0.314889 0.552420 0.371555 0.057 Uiso calc 1 . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 I1 0.0457(2) 0.03772(19) 0.0448(2) -0.01092(14) -0.00578(17) 0.00554(15) I2 0.0440(3) 0.0406(3) 0.0485(3) 0.000 0.0018(2) 0.000 I3 0.0348(3) 0.0515(3) 0.0595(4) 0.000 -0.0069(3) 0.000 Cd1 0.0354(3) 0.0320(3) 0.0543(4) 0.000 -0.0033(3) 0.000 Zn1 0.0297(9) 0.0377(11) 0.0302(9) 0.0088(7) 0.0030(7) 0.0069(7) N1 0.043(2) 0.034(2) 0.032(2) -0.0040(18) -0.004(2) 0.0008(17) N2 0.032(2) 0.036(2) 0.046(3) 0.0004(17) -0.002(2) -0.0030(19) C1 0.054(3) 0.053(3) 0.035(3) -0.011(3) 0.017(3) -0.002(2) C2 0.035(3) 0.050(3) 0.066(4) 0.000(2) 0.016(3) -0.005(3) C3 0.053(3) 0.040(3) 0.038(3) -0.003(2) -0.010(3) 0.010(2) C4 0.062(4) 0.038(3) 0.066(4) 0.011(3) -0.027(3) 0.007(3) C5 0.034(3) 0.045(3) 0.064(4) 0.009(2) -0.005(3) -0.003(3) loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0033 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' Cd Cd -0.8075 1.2024 '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' N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Zn Zn 0.2839 1.4301 '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_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle _geom_angle_publ_flag Cd1 I1 Zn1 . . 119.79(4) ? I1 Cd1 I1 . 7_575 106.04(2) ? I2 Cd1 I1 . . 107.978(16) ? I2 Cd1 I1 . 7_575 107.978(16) ? I3 Cd1 I1 . 7_575 110.135(17) ? I3 Cd1 I1 . . 110.135(17) ? I3 Cd1 I2 . . 114.22(3) ? N1 Zn1 I1 5_666 . 99.78(12) ? N1 Zn1 I1 . . 98.91(12) ? N1 Zn1 N1 . 5_666 161.17(7) ? N1 Zn1 N2 . 5_666 83.73(17) ? N1 Zn1 N2 5_666 5_666 89.93(16) ? N1 Zn1 N2 . . 97.02(18) ? N2 Zn1 I1 . . 95.59(12) ? N2 Zn1 I1 5_666 . 102.79(12) ? N2 Zn1 N1 . 5_666 83.43(17) ? N2 Zn1 N2 . 5_666 161.28(6) ? Zn1 N1 Zn1 . 5_666 18.83(7) ? Zn1 N1 H1 5_666 . 114.1 ? Zn1 N1 H1 . . 95.3 ? C1 N1 Zn1 . 5_666 102.7(3) ? C1 N1 Zn1 . . 110.6(3) ? C1 N1 H1 . . 111.7 ? C1 N1 C3 . . 114.2(4) ? C3 N1 Zn1 . 5_666 111.9(3) ? C3 N1 Zn1 . . 120.2(3) ? C3 N1 H1 . . 102.7 ? Zn1 N2 Zn1 . 5_666 18.72(6) ? Zn1 N2 H2 5_666 . 114.9 ? Zn1 N2 H2 . . 96.2 ? C2 N2 Zn1 . 5_666 101.8(3) ? C2 N2 Zn1 . . 110.0(3) ? C2 N2 H2 . . 112.1 ? C5 N2 Zn1 . . 119.8(3) ? C5 N2 Zn1 . 5_666 111.8(3) ? C5 N2 H2 . . 102.3 ? C5 N2 C2 . . 114.5(4) ? N1 C1 H1A . . 109.8 ? N1 C1 H1B . . 109.8 ? N1 C1 C2 . 5_666 109.5(4) ? H1A C1 H1B . . 108.2 ? C2 C1 H1A 5_666 . 109.8 ? C2 C1 H1B 5_666 . 109.8 ? N2 C2 C1 . 5_666 109.5(4) ? N2 C2 H2A . . 109.8 ? N2 C2 H2B . . 109.8 ? C1 C2 H2A 5_666 . 109.8 ? C1 C2 H2B 5_666 . 109.8 ? H2A C2 H2B . . 108.2 ? N1 C3 H3A . . 109.3 ? N1 C3 H3B . . 109.3 ? N1 C3 C4 . . 111.8(4) ? H3A C3 H3B . . 107.9 ? C4 C3 H3A . . 109.3 ? C4 C3 H3B . . 109.3 ? C3 C4 H4A . . 108.3 ? C3 C4 H4B . . 108.3 ? H4A C4 H4B . . 107.4 ? C5 C4 C3 . . 116.0(4) ? C5 C4 H4A . . 108.3 ? C5 C4 H4B . . 108.3 ? N2 C5 C4 . . 111.5(4) ? N2 C5 H5A . . 109.3 ? N2 C5 H5B . . 109.3 ? C4 C5 H5A . . 109.3 ? C4 C5 H5B . . 109.3 ? H5A C5 H5B . . 108.0 ? loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_site_symmetry_2 _geom_bond_distance _geom_bond_publ_flag I1 Cd1 . 2.8208(5) ? I1 Zn1 . 2.8957(11) ? I2 Cd1 . 2.7756(8) ? I3 Cd1 . 2.7442(7) ? Zn1 N1 . 2.027(4) ? Zn1 N1 5_666 2.157(4) ? Zn1 N2 5_666 2.169(4) ? Zn1 N2 . 2.053(4) ? N1 H1 . 0.9100 ? N1 C1 . 1.468(6) ? N1 C3 . 1.471(6) ? N2 H2 . 0.9101 ? N2 C2 . 1.472(6) ? N2 C5 . 1.470(6) ? C1 H1A . 0.9700 ? C1 H1B . 0.9700 ? C1 C2 5_666 1.512(8) ? C2 H2A . 0.9700 ? C2 H2B . 0.9700 ? C3 H3A . 0.9700 ? C3 H3B . 0.9700 ? C3 C4 . 1.534(8) ? C4 H4A . 0.9700 ? C4 H4B . 0.9700 ? C4 C5 . 1.522(8) ? C5 H5A . 0.9700 ? C5 H5B . 0.9700 ? loop_ _geom_hbond_atom_site_label_D _geom_hbond_atom_site_label_H _geom_hbond_atom_site_label_A _geom_hbond_site_symmetry_A _geom_hbond_distance_DH _geom_hbond_distance_HA _geom_hbond_distance_DA _geom_hbond_angle_DHA _geom_hbond_publ_flag N1 H1 I2 . 0.91 2.95 3.714(4) 142 yes N2 H2 I3 6_557 0.91 3.11 3.871(4) 143 yes 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_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion _geom_torsion_publ_flag Zn1 N1 C1 C2 . . . 5_666 -30.3(5) ? Zn1 N1 C1 C2 5_666 . . 5_666 -48.2(4) ? Zn1 N1 C3 C4 5_666 . . . 63.8(5) ? Zn1 N1 C3 C4 . . . . 45.0(5) ? Zn1 N2 C2 C1 5_666 . . 5_666 48.1(5) ? Zn1 N2 C2 C1 . . . 5_666 30.6(5) ? Zn1 N2 C5 C4 5_666 . . . -64.2(5) ? Zn1 N2 C5 C4 . . . . -45.3(5) ? N1 C3 C4 C5 . . . . -71.7(6) ? C1 N1 C3 C4 . . . . 180.0(4) ? C2 N2 C5 C4 . . . . -179.3(4) ? C3 N1 C1 C2 . . . 5_666 -169.5(4) ? C3 C4 C5 N2 . . . . 71.8(6) ? C5 N2 C2 C1 . . . 5_666 168.9(4) ? _cod_database_fobs_code 2022843