#------------------------------------------------------------------------------ #$Date: 2015-09-25 08:43:51 +0300 (Fri, 25 Sep 2015) $ #$Revision: 158302 $ #$URL: file:///home/coder/svn-repositories/cod/cif/7/22/22/7222295.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_7222295 loop_ _publ_author_name 'Arshad, Muhammad Nadeem' 'Rahman, Mohammed M.' 'Asiri, Abdullah M.' 'Sobahi, Tariq R.' 'Yu, Shu-Hong' _publ_section_title ; Development of Hg2+sensor based on N′-[1-(pyridin-2-yl)ethylidene]benzenesulfono-hydrazide (PEBSH) fabricated silver electrode for environmental remediation ; _journal_issue 99 _journal_name_full 'RSC Adv.' _journal_page_first 81275 _journal_paper_doi 10.1039/C5RA09399F _journal_volume 5 _journal_year 2015 _chemical_formula_moiety 'C13 H13 N3 O2 S' _chemical_formula_sum 'C13 H13 N3 O2 S' _chemical_formula_weight 275.32 _chemical_name_common N'-[(1E)-1-(pyridin-2-yl)ethylidene]benzenesulfonohydrazide _chemical_name_systematic N'-[(1E)-1-(pyridin-2-yl)ethylidene]benzenesulfonohydrazide _space_group_crystal_system monoclinic _space_group_IT_number 14 _space_group_name_Hall '-P 2yab' _space_group_name_H-M_alt 'P 1 21/a 1' _symmetry_space_group_name_Hall '-P 2yab' _symmetry_space_group_name_H-M 'P 1 21/a 1' _atom_sites_solution_hydrogens mixed _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _audit_creation_method SHELXL-2014/7 _audit_update_record ; 2015-05-04 deposited with the CCDC. 2015-09-07 downloaded from the CCDC. ; _cell_angle_alpha 90 _cell_angle_beta 105.632(9) _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 7.4145(6) _cell_length_b 16.0955(16) _cell_length_c 11.8314(10) _cell_measurement_reflns_used 2200 _cell_measurement_temperature 293(2) _cell_measurement_theta_max 29.2990 _cell_measurement_theta_min 2.8470 _cell_volume 1359.7(2) _computing_cell_refinement 'CrysAlis PRO (Agilent, 2012)' _computing_data_collection 'CrysAlis PRO (Agilent, 2012)' _computing_data_reduction 'CrysAlis PRO (Agilent, 2012)' _computing_structure_refinement 'SHELXL-2014/7 (Sheldrick, 2014)' _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _diffrn_ambient_temperature 293(2) _diffrn_measured_fraction_theta_full 0.999 _diffrn_measured_fraction_theta_max 0.878 _diffrn_measurement_device_type 'SuperNova, Dual, Cu at zero, Atlas, CCD' _diffrn_measurement_method '\w scans' _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0264 _diffrn_reflns_av_unetI/netI 0.0354 _diffrn_reflns_laue_measured_fraction_full 0.999 _diffrn_reflns_laue_measured_fraction_max 0.878 _diffrn_reflns_limit_h_max 10 _diffrn_reflns_limit_h_min -9 _diffrn_reflns_limit_k_max 19 _diffrn_reflns_limit_k_min -22 _diffrn_reflns_limit_l_max 15 _diffrn_reflns_limit_l_min -13 _diffrn_reflns_number 7815 _diffrn_reflns_point_group_measured_fraction_full 0.999 _diffrn_reflns_point_group_measured_fraction_max 0.878 _diffrn_reflns_theta_full 26.000 _diffrn_reflns_theta_max 29.364 _diffrn_reflns_theta_min 3.099 _diffrn_source 'fine-focus sealed tube' _exptl_absorpt_coefficient_mu 0.239 _exptl_absorpt_correction_T_max 1.00000 _exptl_absorpt_correction_T_min 0.88277 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details 'SADABS (Sheldrick, 96)' _exptl_crystal_colour colorless _exptl_crystal_density_diffrn 1.345 _exptl_crystal_density_method 'not measured' _exptl_crystal_description needle _exptl_crystal_F_000 576 _exptl_crystal_size_max 0.34 _exptl_crystal_size_mid 0.24 _exptl_crystal_size_min 0.17 _refine_diff_density_max 0.218 _refine_diff_density_min -0.331 _refine_diff_density_rms 0.042 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.069 _refine_ls_hydrogen_treatment mixed _refine_ls_matrix_type full _refine_ls_number_parameters 175 _refine_ls_number_reflns 3293 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 1.069 _refine_ls_R_factor_all 0.0735 _refine_ls_R_factor_gt 0.0493 _refine_ls_shift/su_max 0.000 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0538P)^2^+0.3616P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.1193 _refine_ls_wR_factor_ref 0.1369 _reflns_Friedel_coverage 0.000 _reflns_number_gt 2375 _reflns_number_total 3293 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file c5ra09399f2.cif _cod_data_source_block shelx _cod_depositor_comments ; The following automatic conversions were performed: '_space_group_crystal_system' value 'Monoclinic' changed to 'monoclinic' according to /usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26. Automatic conversion script Id: cif_fix_values 3271 2015-04-21 07:52:19Z andrius ; _cod_database_code 7222295 _shelx_shelxl_version_number 2014/7 _shelx_space_group_comment ; The symmetry employed for this shelxl refinement is uniquely defined by the following loop, which should always be used as a source of symmetry information in preference to the above space-group names. They are only intended as comments. ; _shelx_res_file ; shelx.res created by SHELXL-2014/7 TITL 15025 in P2(1)/a CELL 0.71073 7.4145 16.0955 11.8314 90.000 105.632 90.000 ZERR 4.00 0.0006 0.0016 0.0010 0.000 0.009 0.000 LATT 1 SYMM 1/2 - X, 1/2 + Y, - Z SFAC C H N O S UNIT 52 52 12 8 4 MERG 2 EQIV $1 x-1/2, -y+1/2, z HTAB C13 O2_$1 HTAB C13 O2_$1 HTAB N1 S1_$1 HTAB N1 O2_$1 FMAP 2 PLAN 20 ACTA 52.00 BOND $H CONF L.S. 20 WGHT 0.053800 0.362100 FVAR 5.60584 C1 1 0.609345 0.098606 0.134873 11.00000 0.05606 0.04526 = 0.04430 -0.00612 0.01639 -0.00021 C2 1 0.428094 0.100485 0.063382 11.00000 0.05209 0.04965 = 0.06864 -0.01204 0.01500 0.00063 AFIX 43 H2 2 0.389605 0.142057 0.007480 11.00000 -1.20000 AFIX 0 C3 1 0.305547 0.039092 0.077024 11.00000 0.06622 0.06693 = 0.11411 -0.03295 0.04082 -0.01422 AFIX 43 H3 2 0.183317 0.038851 0.029233 11.00000 -1.20000 AFIX 0 C4 1 0.362104 -0.020949 0.159687 11.00000 0.12530 0.06863 = 0.11381 -0.02988 0.07921 -0.03684 AFIX 43 H4 2 0.278059 -0.062111 0.167181 11.00000 -1.20000 AFIX 0 C5 1 0.540566 -0.021998 0.232193 11.00000 0.16987 0.04855 = 0.07188 0.00100 0.05216 -0.01065 AFIX 43 H5 2 0.576415 -0.062729 0.289631 11.00000 -1.20000 AFIX 0 C6 1 0.667574 0.038258 0.219249 11.00000 0.09604 0.05226 = 0.05368 0.00042 0.01387 0.00512 AFIX 43 H6 2 0.789956 0.037838 0.266811 11.00000 -1.20000 AFIX 0 C7 1 0.838587 0.267277 0.414858 11.00000 0.04221 0.04935 = 0.03857 -0.00277 0.00669 -0.00429 C8 1 0.888148 0.229834 0.534883 11.00000 0.04259 0.05339 = 0.03887 -0.00109 0.00769 -0.00222 C9 1 0.881410 0.145210 0.551113 11.00000 0.07710 0.05428 = 0.05155 0.00212 0.01808 0.00099 AFIX 43 H9 2 0.842499 0.109836 0.486998 11.00000 -1.20000 AFIX 0 C10 1 0.932992 0.113716 0.663399 11.00000 0.08755 0.06397 = 0.06945 0.01971 0.02248 0.00615 AFIX 43 H10 2 0.931264 0.056767 0.676354 11.00000 -1.20000 AFIX 0 C11 1 0.987222 0.168147 0.756219 11.00000 0.08013 0.08987 = 0.04761 0.01988 0.00280 -0.00432 AFIX 43 H11 2 1.023468 0.148926 0.833166 11.00000 -1.20000 AFIX 0 C12 1 0.986267 0.250261 0.732309 11.00000 0.09744 0.08774 = 0.03837 0.00049 0.00271 -0.02011 AFIX 43 H12 2 1.022667 0.286625 0.795454 11.00000 -1.20000 AFIX 0 C13 1 0.806393 0.358231 0.400503 11.00000 0.08392 0.04901 = 0.04767 0.00011 0.00753 -0.00186 AFIX 33 H13A 2 0.821218 0.383311 0.476079 11.00000 -1.50000 H13B 2 0.895385 0.381871 0.363906 11.00000 -1.50000 H13C 2 0.681774 0.368285 0.352249 11.00000 -1.50000 AFIX 0 N1 3 0.781590 0.247158 0.216991 11.00000 0.05488 0.04962 = 0.03634 0.00006 0.00467 -0.00286 N2 3 0.829739 0.215133 0.331464 11.00000 0.04890 0.05070 = 0.03639 -0.00079 0.00609 0.00085 N3 3 0.936799 0.283077 0.624461 11.00000 0.07956 0.06586 = 0.03937 -0.00192 0.00425 -0.00885 O1 4 0.695289 0.216587 0.007826 11.00000 0.08426 0.07732 = 0.03603 0.00341 0.00828 -0.02083 O2 4 0.949486 0.137046 0.141953 11.00000 0.04978 0.09042 = 0.06787 -0.02340 0.01596 0.00043 S1 5 0.768599 0.174906 0.116644 11.00000 0.05054 0.06058 = 0.03679 -0.00541 0.00953 -0.00687 H1N 2 0.686288 0.282726 0.197809 11.00000 -1.20000 HKLF 4 REM 15025 in P2(1)/a REM R1 = 0.0493 for 2375 Fo > 4sig(Fo) and 0.0735 for all 3293 data REM 175 parameters refined using 0 restraints END WGHT 0.0538 0.3620 REM Highest difference peak 0.218, deepest hole -0.331, 1-sigma level 0.042 Q1 1 0.9290 0.3883 0.4616 11.00000 0.05 0.22 Q2 1 0.7834 0.3741 0.3003 11.00000 0.05 0.19 Q3 1 0.6946 0.3814 0.4454 11.00000 0.05 0.18 Q4 1 1.0173 0.1361 0.1604 11.00000 0.05 0.16 Q5 1 0.7833 0.1986 0.0396 11.00000 0.05 0.15 Q6 1 0.6768 0.1234 0.1285 11.00000 0.05 0.15 Q7 1 0.8393 0.2464 0.4644 11.00000 0.05 0.14 Q8 1 0.6262 0.3514 0.4003 11.00000 0.05 0.14 Q9 1 0.5415 0.0950 0.1081 11.00000 0.05 0.14 Q10 1 0.4194 0.0792 0.1171 11.00000 0.05 0.13 Q11 1 0.4703 0.0798 0.1171 11.00000 0.05 0.13 Q12 1 0.8811 0.1460 0.1776 11.00000 0.05 0.13 Q13 1 0.8564 0.1305 0.1594 11.00000 0.05 0.13 Q14 1 0.7149 0.2469 -0.0175 11.00000 0.05 0.12 Q15 1 0.8383 0.1644 0.3575 11.00000 0.05 0.12 Q16 1 0.5775 -0.0237 0.1933 11.00000 0.05 0.12 Q17 1 0.6130 0.0750 0.1262 11.00000 0.05 0.12 Q18 1 0.7947 0.2504 0.3763 11.00000 0.05 0.12 Q19 1 0.9256 0.1483 0.0952 11.00000 0.05 0.12 Q20 1 1.1560 0.2663 0.7847 11.00000 0.05 0.12 ; _shelx_res_checksum 55674 _shelx_hkl_file ; 0 0 -2 39963.3 477.528 1 0 0 -3 40416.2 422.830 3 0 0 -3 41155.9 601.026 1 0 0 -4 45527.5 514.787 3 0 0 -4 48048.0 754.324 1 0 0 -5 3020.69 218.239 1 0 0 -5 2803.11 144.829 3 0 0 -6 3273.14 172.604 3 0 0 -6 3394.68 253.017 1 0 0 -7 5798.62 246.818 3 0 0 7 5676.36 322.118 2 0 0 -7 5537.73 352.318 1 0 0 -8 47752.2 1110.10 1 0 0 8 46803.5 979.218 2 0 0 -8 45845.4 733.249 3 0 0 -9 43586.9 760.277 3 0 0 -9 43854.4 1149.13 1 0 0 9 45515.8 1036.18 2 0 0 -10-86.2583 70.1632 3 0 0 -10 4.47520 65.4429 1 0 0 -11 3587.44 373.092 1 0 0 11 3780.11 341.465 2 0 0 -11 3798.31 246.166 3 0 0 12 2777.18 313.721 2 0 0 13 301.245 119.363 2 0 0 14 202.214 113.277 2 0 0 15 2081.32 313.526 2 0 1 -2 307681. 1237.34 2 0 -1 -2 309056. 1275.98 1 0 1 2 312430. 992.503 3 0 -1 -3 166769. 1175.86 1 0 1 3 164705. 865.853 3 0 -1 -3 167698. 865.661 3 0 1 4 2726.53 168.146 1 0 -1 -4 2967.90 183.649 1 0 1 -4 2480.41 183.114 1 0 -1 -4 2772.73 127.981 3 0 -1 4 2610.88 162.225 2 0 1 4 2723.32 126.988 3 0 -1 -5 50992.3 609.184 3 0 -1 -5 51963.8 859.044 1 0 1 -5 50112.9 908.224 1 0 1 -5 50187.7 627.547 3 0 -1 5 50113.5 785.686 2 0 -1 6 1785.10 164.281 2 0 1 -6 1629.76 124.670 3 0 -1 -6 1772.03 178.929 1 0 -1 -6 1851.61 127.756 3 0 1 -6 1864.54 192.627 1 0 -1 7 8668.57 391.288 2 0 1 -7 8544.33 304.533 3 0 -1 -7 8477.88 293.028 3 0 1 -7 9306.92 468.581 1 0 -1 -7 9109.62 440.542 1 0 1 -8 59.5372 52.1397 1 0 -1 -8 65.9284 65.0392 1 0 1 -8 55.7911 37.5809 3 0 -1 -8-2.47068 42.3174 3 0 -1 8 111.027 73.4322 2 0 -1 -9 3236.14 205.889 3 0 1 -9 3335.46 218.529 3 0 1 -9 3411.51 331.794 1 0 -1 -9 2918.57 296.071 1 0 -1 9 3029.22 274.151 2 0 1 9 3344.18 286.245 2 0 1 -10 45522.7 829.569 3 0 -1 -10 43943.3 1197.09 1 0 -1 -10 45313.4 797.612 3 0 1 10 46897.3 1125.25 2 0 -1 10 46711.0 1122.89 2 0 1 -10 46450.6 1274.94 1 0 -1 -11 5762.86 297.680 3 0 1 11 6302.73 439.044 2 0 -1 11 5693.25 418.431 2 0 1 -11 5802.51 311.648 3 0 -1 -11 6092.53 475.275 1 0 -1 12 78.5974 75.8693 2 0 1 12 75.6428 66.9742 2 0 1 13-65.9641 64.8704 2 0 -1 13 9.91434 56.7730 2 0 -1 14 2829.09 348.734 2 0 1 14 3210.13 373.109 2 0 -1 15 81.3539 73.4852 2 0 -2 1 91964.3 715.568 4 0 2 -2 27021.3 393.885 2 0 2 2 26267.3 323.805 3 0 2 3 36246.5 526.399 1 0 2 3 35136.3 425.103 3 0 2 -3 35710.4 523.606 2 0 2 4 505.223 60.6320 3 0 -2 -4 403.795 70.4014 1 0 2 4 492.692 76.6286 1 0 -2 4 467.743 75.5605 2 0 -2 -4 516.956 57.7398 3 0 -2 5 5842.71 274.157 2 0 2 5 6207.68 275.813 1 0 2 5 5531.07 205.905 3 0 -2 -5 5607.38 276.786 1 0 -2 -5 5726.76 207.468 3 0 -2 -6 191.974 63.3890 1 0 2 6 208.537 49.1114 3 0 -2 -6 120.464 36.4910 3 0 2 -6 163.090 62.9352 1 0 -2 6 179.334 61.3725 2 0 -2 -7 9375.42 434.563 1 0 2 -7 9141.34 323.603 3 0 2 -7 9828.58 491.295 1 0 -2 -7 9527.41 311.927 3 0 -2 7 9935.32 427.567 2 0 -2 -8 16557.1 435.145 3 0 -2 8 19020.4 629.965 2 0 -2 -8 16291.7 621.296 1 0 2 -8 18235.5 716.999 1 0 2 -8 16778.4 464.973 3 0 -2 -9 12304.6 579.372 1 0 2 -9 13280.6 664.492 1 0 -2 -9 12281.4 394.183 3 0 2 -9 12703.8 428.409 3 0 -2 9 13243.0 563.563 2 0 2 -10 3122.00 227.184 3 0 -2 10 2698.89 279.043 2 0 -2 -10 3157.03 211.873 3 0 2 -10 3106.01 344.757 1 0 -2 -10 3004.17 311.691 1 0 2 11 848.375 172.361 2 0 -2 11 650.708 145.059 2 0 -2 -11 740.884 106.845 3 0 2 -11 856.036 123.388 3 0 -2 -11 870.943 174.336 1 0 2 12 239.466 90.1958 2 0 -2 12 242.961 108.880 2 0 2 13 505.202 152.936 2 0 -2 13 728.561 174.436 2 0 -2 14 1036.84 219.347 2 0 2 14 933.314 216.177 2 0 -2 15 1121.81 241.683 2 0 -3 0 20.9717 32.5376 4 0 -3 1 800.404 86.6394 4 0 -3 -1 820.853 91.6095 4 0 3 -2 41521.5 527.839 2 0 -3 3 43016.9 612.297 2 0 3 3 42381.6 595.797 1 0 3 -3 42421.1 608.967 2 0 3 3 41704.2 502.665 3 0 3 -4 396.259 69.8403 2 0 3 4 521.895 67.4718 3 0 -3 4 549.887 80.1294 2 0 3 4 511.227 80.3621 1 0 3 5 4170.46 229.259 1 0 3 5 4090.58 185.226 3 0 3 -5 4097.04 233.814 2 0 -3 5 4119.39 235.343 2 0 -3 6 6419.08 321.797 2 0 3 6 6309.88 302.418 1 0 3 6 6214.99 249.612 3 0 3 7 5778.90 253.244 3 0 -3 7 6246.24 340.782 2 0 3 -7 6575.62 412.122 1 0 3 -8 4790.83 377.644 1 0 3 8 4451.14 236.278 3 0 -3 8 4048.37 298.638 2 0 3 -8 4512.39 248.603 3 0 3 -9 6881.76 325.397 3 0 3 -9 7804.62 515.810 1 0 -3 9 7219.68 421.784 2 0 -3 10 16356.8 675.639 2 0 3 -10 16013.1 516.544 3 0 3 -11 55.7153 40.5553 3 0 -3 11-48.2175 69.3644 2 0 3 12 1057.53 198.266 2 0 -3 12 1344.60 225.612 2 0 -3 13 1258.06 224.361 2 0 3 13 1602.09 256.289 2 0 -3 14 4.89671 73.5303 2 0 3 14-115.419 88.1518 2 0 -3 15 446.519 158.934 2 0 -4 0 31626.3 572.948 4 0 -4 1 3800.27 200.935 4 0 -4 -1 4477.76 228.122 4 0 4 -2 49003.9 638.143 2 0 4 -2 47890.3 740.821 4 0 -4 3 14435.2 383.451 2 0 4 -3 13883.3 368.953 2 0 -4 4 135881. 1261.33 2 0 4 -4 132146. 1245.69 2 0 4 4 134762. 1203.68 1 0 4 4 131902. 1040.33 3 0 -4 5 55243.2 878.883 2 0 4 5 55272.3 834.472 1 0 4 5 54974.4 713.295 3 0 4 -5 54830.7 862.224 2 0 -4 6 953.253 130.312 2 0 4 6 904.854 101.979 3 0 4 -6 910.562 122.551 2 0 4 6 901.087 119.057 1 0 4 7 11591.2 370.012 3 0 -4 7 12514.8 485.404 2 0 4 7 11927.9 441.532 1 0 4 8 563.962 90.1904 3 0 4 -8 310.104 111.201 1 0 -4 8 666.624 133.383 2 0 4 -9 561.788 100.749 3 0 -4 9 693.468 143.392 2 0 4 9 575.298 96.5614 3 0 -4 10 2213.97 250.289 2 0 4 -10 2018.76 190.674 3 0 -4 11 1365.85 211.382 2 0 4 -11 1285.17 158.401 3 0 -4 12 581.019 158.210 2 0 -4 13 618.405 163.320 2 0 4 13 518.376 160.270 2 0 -4 14 381.433 132.781 2 0 4 14 551.209 169.089 2 0 -5 0 368.576 90.3666 4 0 -5 -1 5511.43 276.265 4 0 -5 1 5176.73 259.853 4 0 -5 -2 22816.2 596.216 4 0 -5 2 20899.4 528.404 4 0 5 -2 21387.4 460.748 2 0 5 -2 21309.5 540.420 4 0 5 -3 37983.3 641.800 2 0 5 -3 36708.6 753.232 4 0 5 4 176.312 55.0060 3 0 5 -4 177.881 53.5274 2 0 -5 4 175.056 64.2913 2 0 5 5 53556.5 848.426 1 0 5 -5 54958.7 896.642 2 0 -5 5 54878.3 917.484 2 0 5 5 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132.279 71.6100 1 2 -4 4 2002.70 136.753 2 -2 -4 -4 2290.34 240.476 4 -2 4 -4 2121.17 245.002 1 -2 -4 -5 13171.2 593.970 4 2 -4 5 11992.6 374.740 2 2 4 5 12173.2 240.991 3 -2 4 -5 13107.1 644.075 1 2 -4 6 11991.1 414.285 2 2 4 6 12239.7 605.250 1 -2 4 -6 13208.2 680.436 1 2 4 6 11837.8 238.834 3 2 -4 7 2326.22 201.180 2 2 4 7 2402.91 287.599 1 2 -4 8 1819.51 192.868 2 2 4 8 1357.29 220.242 1 2 -4 9 6243.94 379.165 2 -2 4 -9 5995.57 247.999 3 2 4 9 6185.89 471.410 1 2 4 10 3822.08 380.709 1 2 -4 10 3539.39 304.798 2 2 -4 11 171.063 91.1244 2 2 -4 12 346.032 111.740 2 2 -4 13 593.845 163.022 2 2 4 13 158.282 96.1668 2 2 4 14 932.858 199.082 2 -2 -5 14 799.650 204.644 2 -2 5 14 719.863 186.589 2 -2 -5 13 351.830 131.309 2 -2 5 13 394.984 134.357 2 -2 -5 12 1810.08 268.892 2 -2 -5 11 1881.85 263.342 2 -2 5 11 1699.79 210.256 3 -2 5 10 1121.47 164.228 3 -2 -5 10 1338.94 209.800 2 -2 -5 9 312.080 99.1111 2 -2 5 9 418.116 100.646 3 -2 -5 8 1171.55 174.186 2 2 -5 -8 1470.55 165.179 3 -2 5 8 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4837.54 358.836 4 2 6 -3 5208.10 290.330 2 -2 6 3 4846.43 192.835 1 2 6 -2 47156.6 841.471 2 -2 6 2 47585.8 708.019 1 -2 -6 2 48887.8 1099.61 4 -2 6 1 18059.6 492.656 1 2 -6 -1 18790.5 442.519 4 -2 -6 1 17770.4 661.266 4 -2 6 0 9756.54 400.977 1 2 -6 0 9766.70 281.186 4 -2 -6 0 9963.87 493.691 4 2 -6 1 890.877 72.0606 4 -2 6 -1 903.075 135.529 1 -2 -6 -1 895.473 161.819 4 -2 6 -2-6.89284 22.2284 2 -2 6 -2-9.56328 15.7419 4 -2 6 -2 16.4777 40.6695 1 -2 6 -3 5188.86 371.070 1 -2 6 -3 4545.84 204.338 2 -2 -6 -3 5028.28 377.933 4 -2 6 -3 4511.90 186.765 4 -2 -6 -4 46123.1 1168.46 4 -2 6 -4 42680.4 671.741 2 -2 6 -4 45400.6 1168.88 1 -2 6 -4 42590.1 689.012 4 -2 -6 -5 2862.20 313.868 4 2 -6 5 3011.62 201.907 2 -2 6 -5 3382.23 344.339 1 2 -6 6 2401.46 196.453 2 2 6 6 2350.54 281.182 1 2 6 6 2411.75 145.606 3 -2 -6 -6 2116.22 282.154 4 2 -6 7 7201.75 363.650 2 2 6 7 7465.05 499.070 1 2 6 7 7097.97 247.589 3 -2 -6 -7 7539.81 550.967 4 2 6 8 3120.94 163.123 3 2 6 8 3260.02 349.644 1 2 -6 8 3298.32 263.249 2 -2 -6 -8 3789.26 414.394 4 -2 -6 -9 2795.35 374.398 4 2 6 9 1989.89 275.994 1 2 -6 9 2361.20 240.097 2 -2 -6 -10 921.431 240.787 4 2 6 10 563.706 154.022 1 2 -6 10 549.022 125.016 2 -2 -6 -11 204.987 157.874 4 2 -6 11 124.579 59.6006 2 2 -6 12 1762.91 245.731 2 -2 -6 -12 1907.54 355.358 4 -2 -6 -13 2808.29 448.817 4 -2 -7 14 175.213 79.7846 2 -2 7 14 275.294 132.328 2 -2 -7 13 8.26430 71.3172 2 -2 7 12 492.661 132.942 3 -2 -7 12 540.400 167.477 2 -2 -7 11 1824.51 263.784 2 -2 7 11 1407.28 198.680 3 -2 -7 10 2588.06 297.549 2 -2 7 10 2586.68 259.130 3 -2 -7 9 75.7589 92.4753 2 -2 7 9 198.430 84.8245 3 -2 -7 8 13871.6 626.364 2 -2 7 8 13357.0 537.748 3 -2 -7 7 31097.4 882.989 2 2 7 -7 29511.8 1064.39 4 -2 -7 6 4505.01 327.867 2 2 7 -6 4565.50 317.544 2 -2 7 6 4551.19 292.105 3 2 7 -6 4538.93 404.210 4 -2 7 5 4129.14 268.933 3 2 7 -5 3862.25 362.762 4 2 7 -5 4255.83 295.088 2 2 7 -4 13631.7 505.541 2 2 7 -3 21617.7 620.255 2 -2 -7 3 22223.4 787.401 4 -2 -7 2 71860.2 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128.085 1 4 -16 -10 139.872 116.648 4 4 -16 -9 119.258 146.109 4 4 -16 -8-230.640 134.201 4 -4 16 8-14.7021 65.1520 3 4 -16 -7-130.801 112.971 4 -4 16 7 150.517 100.323 3 4 -16 -6 179.064 99.3311 4 -4 16 6 13.0360 84.2029 3 4 -16 -5 457.062 154.605 4 -4 16 5 187.743 107.206 3 -4 -16 4 306.186 164.007 4 4 -16 -4 344.718 128.946 4 -4 16 4 284.372 110.420 3 -4 -16 3 982.482 277.657 4 -4 16 3 1609.42 241.638 3 -4 -16 2 9.75538 106.421 4 -4 16 2 32.5390 60.2264 3 -4 -16 1 240.677 152.516 4 -4 -16 0 2786.98 444.098 4 -4 -16 -1 202.754 158.764 4 -4 -16 -2 824.557 267.586 4 -4 -16 -3-132.730 150.150 4 -4 -16 -4 51.5453 120.853 4 4 16 7-330.565 151.564 1 4 -17 -9-108.541 117.368 4 4 -17 -8-3.62229 109.560 4 4 -17 -7 498.468 184.079 4 4 -17 -6 67.2278 110.459 4 -4 17 6 42.3112 70.9832 3 4 -17 -5 1000.01 230.687 4 -4 17 5 1313.83 241.038 3 -4 -17 4 247.334 169.322 4 -4 17 4 691.594 166.338 3 -4 -17 3 212.261 119.920 4 -4 17 3 132.576 92.3582 3 -4 -17 2 17.6226 86.5173 4 -4 17 2 40.3345 75.6305 3 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25.4496 2 5 0 -1 0.20861 32.3561 3 5 0 0 17.0095 47.6892 4 5 0 0 47.8580 81.1645 1 5 0 0 3.00808 17.2819 2 5 0 0-3.27845 24.8276 3 5 0 1 3.32209 12.7975 2 -5 0 -1 25.2792 58.4808 4 5 0 1-31.9718 53.6786 4 5 0 1-67.4492 92.1430 1 5 0 1-50.3877 39.6207 3 5 0 2-32.5006 111.347 1 -5 0 -2-35.8776 68.5749 4 5 0 2 20.3648 16.8535 2 5 0 3-104.963 105.609 1 -5 0 -3-4.17483 47.5508 4 -5 0 -4-38.4224 66.5911 4 5 0 4 6.64626 80.8378 1 -5 0 -5 55.3820 75.7944 4 5 0 5-143.548 121.830 1 5 0 6 28.3328 34.3145 2 -5 0 -6-52.6461 80.9367 4 5 0 7-74.3807 93.3166 1 -5 0 -7-97.2259 89.2365 4 5 0 7-79.8617 49.8944 2 -5 0 -8-143.967 84.1972 4 5 0 8 178.771 110.889 1 -5 0 -9-46.7407 80.4149 4 -5 1 14 88.5494 89.8994 2 -5 -1 14 117.304 84.2334 2 -5 1 13 275.173 135.724 2 -5 -1 13 373.484 136.994 2 -5 1 12 577.165 154.152 2 -5 -1 12 510.594 149.358 2 -5 1 11 1356.46 225.110 2 -5 -1 11 1153.76 215.750 2 -5 1 10 625.735 148.473 2 -5 -1 10 494.683 136.877 2 -5 -1 9 713.449 152.039 2 -5 1 9 915.060 166.695 2 -5 -1 8 290.403 105.738 2 -5 1 8 195.709 81.2769 2 -5 1 7 5729.86 353.997 2 -5 -1 7 5845.20 371.165 2 5 1 -6 8590.74 572.412 4 -5 1 6 9361.31 424.787 2 -5 -1 6 8403.10 416.674 2 5 1 -5 126.390 61.5581 3 5 1 -5 71.2009 64.0792 4 -5 1 5 86.1212 54.7901 3 5 1 -5 105.914 43.6340 2 5 -1 -5 103.246 47.8291 3 5 1 -4 71.4415 56.0531 3 -5 1 4 109.753 53.0085 2 5 -1 -4 127.909 68.7952 1 5 -1 -4 164.984 87.2603 4 -5 1 4 132.024 73.6225 3 5 1 -4 115.027 86.7320 4 5 1 -4 130.297 47.5449 2 5 -1 -4 139.086 48.7576 3 5 1 -3 9563.08 529.770 4 5 -1 -3 8667.53 470.507 4 5 1 -3 8775.57 335.915 2 5 -1 -3 9392.32 513.765 1 -5 1 3 8638.38 318.266 2 5 -1 -3 9554.02 413.278 3 5 1 -3 9425.03 416.023 3 -5 1 3 9040.31 405.803 3 5 -1 -2 10878.1 499.658 4 5 1 -2 11370.0 555.951 4 5 1 -2 10320.6 339.483 2 5 -1 -2 11420.9 584.292 1 5 -1 -2 11843.3 441.419 3 5 1 -2 11078.4 425.494 3 5 1 -1 173.536 63.3987 3 5 1 -1 303.111 135.194 1 5 -1 -1 181.471 69.3436 4 5 1 -1 82.5764 60.6189 4 5 -1 -1 140.859 110.557 1 5 -1 -1 9.37946 40.8089 3 5 1 -1 122.363 37.9886 2 5 1 0 246.455 51.8064 2 -5 -1 0 279.616 94.8315 4 5 1 0 158.514 103.936 1 5 -1 0 315.963 81.9939 4 5 1 0 410.330 106.913 4 5 -1 0 128.473 90.1764 1 5 -1 0 336.614 69.3535 3 5 1 0 222.895 57.4680 3 -5 1 -1 6633.72 344.620 4 -5 -1 -1 7072.21 414.562 4 5 1 1 7077.44 398.155 4 5 -1 1 6917.17 333.901 4 5 1 1 6951.52 523.614 1 5 1 1 6280.03 232.824 2 5 1 1 6756.80 268.639 3 5 -1 1 6590.10 497.470 1 -5 1 -2 1035.77 145.487 4 5 -1 2 1201.16 223.277 1 -5 -1 -2 920.742 162.527 4 5 1 2 895.817 86.6369 3 5 1 2 1105.73 214.345 1 5 1 3 407.165 155.395 1 5 -1 3 587.049 49.9865 2 -5 1 -3 586.158 121.130 4 -5 -1 -3 540.279 128.683 4 5 -1 3 636.296 177.417 1 -5 1 -4 3165.99 262.287 4 5 -1 4 3066.97 140.590 2 5 1 4 3359.38 406.889 1 -5 -1 -4 2918.55 289.005 4 5 -1 4 3037.12 379.335 1 -5 1 -5 3829.52 300.879 4 -5 -1 -5 4045.35 351.158 4 5 -1 5 3670.21 181.582 2 5 1 5 3659.03 436.348 1 5 -1 5 3619.77 420.542 1 5 -1 6 1720.04 307.530 1 5 1 6 2007.26 337.212 1 -5 1 -6 1955.44 230.315 4 5 -1 6 1966.00 153.244 2 -5 -1 -6 1801.52 247.260 4 5 -1 7 320.464 158.780 1 -5 1 -7 279.237 97.6624 4 -5 -1 -7 491.480 146.267 4 5 1 7 192.710 134.214 1 5 -1 7 245.619 72.5598 2 5 1 8 1013.06 146.652 2 5 1 8 991.086 243.000 1 -5 1 -8 1004.89 196.239 4 -5 -1 -8 1066.16 219.312 4 -5 -1 -9 81.2054 73.1154 4 5 1 9 490.527 185.184 1 -5 -2 14 1180.04 249.050 2 -5 2 14 1259.55 245.609 2 -5 2 13 4143.09 418.513 2 -5 -2 13 4413.16 440.670 2 -5 -2 12 24.3762 70.3273 2 -5 2 12 29.5165 69.3733 2 -5 -2 11 55.6160 80.3993 2 -5 2 11 78.3730 95.1677 2 -5 2 10 4279.17 367.717 2 -5 -2 10 4602.00 389.951 2 -5 2 9 6759.02 433.005 2 -5 -2 9 7987.61 488.330 2 -5 -2 8 1170.83 182.497 2 -5 2 8 1252.42 179.194 2 -5 2 7 6355.05 374.252 2 -5 -2 7 7314.03 421.235 2 -5 2 7 7325.94 431.551 3 5 2 -6 8759.29 426.804 2 -5 2 6 8545.29 401.308 2 5 -2 -6 9058.15 432.703 1 -5 -2 6 8774.13 441.543 2 -5 2 6 9087.66 462.800 3 5 2 -5 13091.7 695.355 4 5 2 -5 12943.0 488.701 2 5 -2 -5 12312.8 524.235 1 -5 -2 5 12523.2 506.350 2 5 -2 -5 12791.3 524.600 3 5 2 -5 12762.2 527.264 3 -5 2 5 13139.8 534.015 3 5 2 -4 9797.39 576.164 4 5 2 -4 8985.29 382.439 2 -5 2 4 9094.78 348.241 2 5 -2 -4 9200.66 473.785 1 5 -2 -4 9586.00 436.831 3 5 2 -4 9323.67 434.150 3 -5 2 4 9575.46 436.747 3 5 2 -3 21.6665 52.9661 3 -5 2 3 26.1649 40.3411 2 -5 2 3 37.2214 60.0107 3 5 -2 -3-65.8532 75.3172 4 5 2 -3-46.0528 105.728 4 5 -2 -3 134.099 73.6353 1 5 2 -3-17.1065 36.9242 2 5 -2 -3 41.5819 55.7709 3 5 -2 -2 1767.98 194.327 4 5 2 -2 1955.21 250.891 4 5 2 -2 1743.89 150.373 2 5 -2 -2 2117.79 256.385 1 5 -2 -2 2158.95 190.130 3 5 2 -2 2120.28 190.827 3 -5 -2 1 13094.5 603.953 4 5 -2 -1 12354.0 465.918 4 5 2 -1 13282.9 604.909 4 5 2 -1 11541.5 364.532 2 5 -2 -1 12673.0 434.002 3 5 -2 -1 13196.8 648.350 1 5 2 -1 12604.2 433.493 3 -5 -2 0 6625.86 423.993 4 5 -2 0 6578.57 312.695 4 5 2 0 6699.29 419.267 4 5 2 0 6905.59 516.620 1 5 2 0 6307.03 265.065 2 5 -2 0 6590.88 290.920 3 5 -2 0 7913.10 521.211 1 5 2 0 6451.96 292.808 3 -5 2 0 6279.80 298.618 3 -5 -2 -1 738.597 152.969 4 5 2 1 738.835 186.347 1 5 -2 1 636.521 172.258 1 5 2 1 736.176 139.921 4 5 2 1 812.732 96.9523 3 -5 2 -1 860.314 108.609 3 -5 2 -2 5771.36 283.982 4 -5 -2 -2 5892.17 409.649 4 5 2 2 5493.97 489.290 1 5 2 2 5570.45 219.523 3 5 -2 2 5585.82 478.963 1 -5 2 -2 5545.39 243.401 3 -5 2 -3 13202.2 442.080 4 -5 -2 -3 12869.2 621.785 4 5 2 3 12654.0 765.405 1 5 -2 3 14288.9 781.762 1 -5 2 -4 9442.16 400.133 4 5 2 4 8933.72 658.302 1 -5 -2 -4 9365.00 541.074 4 5 -2 4 10457.9 695.984 1 5 -2 5 265.396 165.669 1 5 2 5 92.3757 101.815 1 -5 2 -5 136.195 70.2626 4 -5 -2 -5 113.042 108.220 4 5 -2 5 88.3404 28.3982 2 5 -2 6 3383.64 426.431 1 -5 2 -6 3579.41 289.278 4 -5 -2 -6 3664.39 370.672 4 5 -2 6 3580.81 188.172 2 5 2 6 3452.76 437.125 1 5 2 7 1285.42 284.342 1 -5 2 -7 815.883 149.623 4 -5 -2 -7 927.675 200.138 4 -5 -2 -8 4883.48 460.433 4 -5 2 -8 5011.53 390.091 4 5 2 8 5123.88 555.130 1 -5 -2 -9 330.585 139.939 4 5 2 9 527.933 196.836 1 5 2 10 86.2696 79.9394 1 -5 -2 -10-62.6737 81.9569 4 -5 -3 14 408.332 153.418 2 -5 3 14 109.573 72.5779 2 -5 -3 13 98.6068 60.8588 2 -5 3 13 171.479 96.4955 2 -5 3 12 2994.02 340.671 2 -5 -3 12 3004.92 352.679 2 -5 3 11 11522.6 627.732 2 -5 -3 11 12000.5 665.683 2 -5 -3 10 1804.30 251.097 2 -5 3 10 1594.38 228.426 2 -5 -3 9 25.9107 56.4284 2 -5 3 9 119.730 86.6269 3 5 -3 -9 114.995 36.3558 1 -5 3 9 137.890 77.1346 2 -5 3 8 3056.40 279.538 2 5 -3 -8 3729.93 218.841 1 -5 -3 8 3092.16 304.601 2 -5 3 8 3599.89 315.381 3 -5 3 7 3208.09 264.102 2 5 -3 -7 3234.68 225.627 1 -5 -3 7 2984.52 280.962 2 -5 3 7 2585.18 260.402 3 5 3 -6 2288.85 223.422 2 -5 3 6 2454.65 215.569 2 5 -3 -6 2742.13 224.607 1 -5 -3 6 2431.88 244.145 2 -5 3 6 2482.13 248.876 3 5 3 -5 1950.90 274.241 4 5 3 -5 1813.80 191.072 2 5 -3 -5 1703.08 191.440 1 -5 -3 5 1937.27 206.808 2 5 3 -5 2010.15 209.898 3 -5 3 5 1776.03 204.877 3 -5 3 4 675.299 126.962 3 5 3 -4 638.369 118.155 3 5 3 -4 753.203 174.839 4 5 -3 -4 599.284 124.181 1 5 3 -4 568.290 104.730 2 5 -3 -4 721.900 126.849 3 -5 3 4 695.950 98.7120 2 5 -3 -3 22472.7 704.806 4 5 3 -3 24163.5 907.140 4 5 3 -3 23399.3 603.989 2 -5 3 3 22744.3 483.267 2 5 -3 -3 24842.1 679.095 3 5 -3 -3 24825.2 800.684 1 -5 3 3 23703.1 669.622 3 5 3 -3 23771.3 666.940 3 5 -3 -2 24489.1 672.694 4 5 3 -2 26138.7 913.571 4 5 3 -2 24106.6 592.696 2 -5 3 2 25128.0 414.805 2 5 -3 -2 26548.9 670.594 3 5 -3 -2 24561.4 829.550 1 -5 3 2 24533.5 661.293 3 5 3 -2 24812.1 645.849 3 5 3 -1 302.333 75.2622 3 5 3 -1 405.075 80.8906 2 -5 -3 1 652.959 159.863 4 5 -3 -1 259.468 75.3924 4 5 -3 -1 441.955 131.133 1 5 3 -1 397.307 125.477 4 -5 -3 0 4362.27 364.959 4 5 3 0 4781.03 375.326 4 5 -3 0 4375.02 223.254 4 5 3 0 3761.30 222.451 2 5 3 0 4003.93 234.370 3 5 -3 0 4403.01 392.470 1 -5 -3 -1 22126.4 818.515 4 5 3 1 23062.3 817.930 4 5 3 1 23035.9 980.240 1 5 3 1 21270.5 496.938 3 -5 3 -1 20818.8 527.695 3 5 -3 1 23658.2 932.671 1 5 -3 2 1023.61 203.832 1 -5 -3 -2 1174.77 204.701 4 5 3 2 1112.60 238.734 1 5 3 2 1006.28 173.152 4 5 3 2 1019.73 101.212 3 -5 3 -2 1091.51 115.626 3 -5 3 -3 4149.56 203.681 4 -5 -3 -3 4421.24 383.447 4 5 3 3 4716.99 476.868 1 5 3 3 4132.11 160.442 3 -5 3 -3 4461.37 209.402 3 5 -3 3 4467.34 436.250 1 -5 3 -4 6443.93 283.017 4 -5 -3 -4 6602.19 479.469 4 5 3 4 6391.12 567.193 1 -5 3 -4 6538.41 219.641 3 5 -3 4 6238.24 531.453 1 5 -3 5 8541.33 636.314 1 -5 3 -5 8643.60 364.073 4 -5 -3 -5 7964.35 540.492 4 5 -3 5 7068.68 173.622 2 5 3 5 8302.03 658.369 1 -5 3 -6 7025.48 359.671 4 -5 -3 -6 6833.87 521.503 4 5 3 6 7211.03 633.111 1 -5 3 -7 5919.10 363.214 4 -5 -3 -7 5213.23 474.743 4 5 3 7 5877.19 591.727 1 5 3 8 610.559 204.987 1 -5 -3 -8 744.850 203.362 4 -5 -3 -9 1948.75 316.675 4 5 3 9 1714.20 325.782 1 -5 -3 -10 200.535 135.152 4 5 3 10 648.419 199.699 1 -5 -4 14 635.385 184.898 2 -5 4 14 514.556 177.001 2 -5 -4 13 1372.82 258.401 2 -5 4 13 1056.04 212.835 2 -5 -4 12 229.495 105.639 2 -5 4 12 90.4067 74.2229 2 -5 -4 11 158.138 103.753 2 -5 4 11 20.5753 81.4284 2 -5 4 10 1960.90 252.435 2 -5 -4 10 1855.67 263.729 2 -5 4 10 2101.32 268.768 3 -5 -4 9 1481.42 230.328 2 -5 4 9 1344.77 207.625 3 -5 4 9 1764.56 224.022 2 5 -4 -8 9.07223 16.2393 1 -5 4 8 99.8455 70.2245 3 -5 -4 8-7.98081 70.3448 2 -5 4 8 68.0884 65.7986 2 -5 4 7 1886.24 203.965 2 -5 -4 7 2092.50 241.489 2 5 -4 -7 2157.67 161.860 1 -5 4 7 2145.87 241.586 3 -5 4 6 15973.2 542.480 2 5 4 -6 16489.0 611.404 2 -5 -4 6 18030.9 663.025 2 5 -4 -6 16400.6 507.597 1 -5 4 6 16066.8 622.631 3 5 4 -5 3404.10 266.729 2 5 -4 -5 3783.06 268.928 1 -5 4 5 3795.65 298.416 3 5 4 -4 3224.42 356.919 4 -5 4 4 2947.99 195.380 2 5 4 -4 3114.35 244.482 2 5 -4 -4 3106.32 255.247 3 5 -4 -4 3170.88 266.674 1 -5 4 4 3131.27 262.302 3 5 4 -4 3358.48 264.306 3 5 4 -3 4314.67 399.965 4 -5 4 3 4124.40 202.381 2 5 4 -3 4139.02 272.540 2 5 -4 -3 4550.46 293.552 3 -5 4 3 4136.61 287.251 3 5 -4 -3 4321.79 327.747 1 5 4 -3 4217.45 288.083 3 5 -4 -2 2484.59 209.167 4 5 4 -2 2979.51 323.092 4 -5 -4 2 2808.31 317.464 4 5 4 -2 2929.68 219.801 2 -5 4 2 2845.34 134.856 2 -5 4 2 2895.46 235.503 3 5 4 -2 2708.16 222.156 3 5 -4 -2 2794.53 279.977 1 -5 -4 1 20107.9 818.461 4 5 -4 -1 21083.8 514.507 4 5 4 -1 21841.3 851.772 4 5 4 -1 20099.5 562.430 2 5 4 -1 20742.3 576.408 3 5 -4 -1 21205.1 807.670 1 -5 -4 0 9995.93 569.788 4 5 4 0 9958.89 563.344 4 5 -4 0 9374.13 268.532 4 5 4 0 8571.76 361.786 2 5 4 0 9061.25 359.380 3 5 -4 0 9578.34 566.851 1 -5 -4 -1 6077.31 453.527 4 5 4 1 6805.70 465.962 4 5 4 1 6269.61 525.724 1 5 4 1 6020.97 273.241 3 5 -4 1 6277.96 478.218 1 5 -4 2 1664.88 260.735 1 5 4 2 2141.38 263.954 4 5 4 2 1864.60 294.830 1 -5 -4 -2 1473.18 232.626 4 -5 4 -2 1588.37 148.500 3 5 4 2 1778.43 137.187 3 5 -4 3 14647.1 781.805 1 -5 -4 -3 13293.1 691.013 4 5 4 3 14566.8 831.134 1 5 4 3 13946.6 321.910 3 -5 4 -3 13497.6 395.829 3 5 -4 4 4218.08 442.086 1 -5 -4 -4 3991.75 390.480 4 5 4 4 4046.36 456.634 1 5 4 4 3269.46 87.9518 3 -5 4 -4 3765.68 189.114 3 -5 4 -5 686.074 86.0993 4 -5 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72.5978 3 5 -5 -5 140.866 64.8782 1 5 5 -5 156.291 62.5645 2 -5 5 4 4274.91 235.679 2 5 5 -4 4889.55 317.968 2 -5 5 4 4289.07 312.276 3 5 5 -4 4757.30 321.845 3 5 -5 -4 4727.15 314.395 1 5 5 -3 9463.13 611.026 4 -5 5 3 9280.23 302.077 2 5 5 -3 9173.44 416.948 2 -5 5 3 8637.41 427.313 3 5 5 -3 9831.79 439.795 3 5 -5 -3 9334.01 469.439 1 -5 -5 2 17259.7 796.217 4 5 5 -2 17735.0 817.755 4 5 -5 -2 17160.9 514.641 4 -5 5 2 17423.3 330.378 2 5 5 -2 16952.5 554.138 2 -5 5 2 16511.1 563.101 3 5 5 -2 17475.9 566.505 3 5 -5 -2 16964.3 670.832 1 -5 -5 1 10427.8 620.029 4 5 -5 -1 10683.7 332.325 4 5 5 -1 11448.0 644.470 4 5 5 -1 10555.1 428.819 2 -5 5 1 10961.4 441.654 3 5 5 -1 10697.3 423.154 3 5 -5 -1 10758.3 564.400 1 -5 5 0-14.1572 52.9959 1 5 5 0-24.3950 36.0841 3 -5 -5 0-82.4690 95.2234 4 5 -5 0 25.7942 73.9478 1 5 5 0-152.159 84.8452 4 5 -5 1 780.696 178.919 1 5 5 1 658.175 96.7447 3 -5 -5 -1 757.665 193.587 4 5 5 1 1002.04 192.482 4 5 5 2-4.66794 86.5847 1 5 5 2 36.9968 30.0474 3 -5 -5 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639.868 214.279 1 -5 6 -6 633.853 80.7892 3 5 6 7 118.707 117.137 1 -5 -6 -7 104.406 98.7145 4 -5 -6 -8 171.478 145.793 4 5 6 8 302.199 152.221 1 -5 -6 -9 257.587 147.177 4 5 6 9-171.625 124.943 1 -5 -6 -10-32.4060 92.3541 4 5 6 10 386.830 160.099 1 -5 7 13 10.6189 56.3667 3 -5 -7 13-84.0371 82.2613 2 -5 7 13 75.1997 85.9768 2 -5 7 12 75.2858 75.8503 3 -5 -7 12 137.766 98.7272 2 -5 7 12 150.637 101.141 2 -5 7 11 1165.33 207.136 3 -5 -7 11 1026.40 223.043 2 -5 7 11 823.998 174.021 2 -5 7 10 166.720 85.4113 3 -5 -7 10 200.333 111.866 2 -5 7 10 377.644 122.016 2 -5 7 9 234.414 107.269 3 -5 -7 9 121.608 73.9980 2 -5 7 9 72.8691 66.3296 2 -5 7 8 1075.78 191.707 3 -5 7 8 830.766 150.326 2 -5 7 7 6.54955 53.5927 3 -5 7 6 3073.56 293.914 3 -5 7 5 2309.58 251.952 3 -5 7 4 1936.36 220.530 3 -5 -7 3 238.213 133.785 4 5 7 -3 247.763 79.4474 2 -5 7 3 298.150 93.0107 3 -5 7 2 752.720 156.975 1 -5 -7 2 595.567 170.882 4 5 7 -2 712.722 131.912 2 -5 7 2 704.344 74.6202 2 -5 7 2 653.214 130.147 3 -5 -7 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2 -5 8 9 256.542 105.008 3 -5 8 8 3509.33 341.470 3 -5 8 7 639.833 155.677 3 -5 8 6 95.9911 81.2821 3 -5 8 5 6574.96 420.594 3 -5 8 4 5612.26 380.663 3 -5 -8 3 419.969 143.736 4 -5 8 3 224.288 92.8100 1 -5 8 3 338.789 99.9458 3 -5 -8 2 166.929 106.713 4 -5 8 2 100.859 52.3418 1 -5 8 2 136.973 60.8174 3 -5 -8 1 62.1859 110.726 4 -5 8 1 61.5139 71.9474 1 -5 8 1 87.9085 57.7790 3 -5 -8 0 6158.23 527.740 4 -5 8 0 5291.58 333.931 3 -5 -8 -1 7908.12 612.022 4 -5 8 -1 6914.65 369.973 3 -5 -8 -2 328.066 153.431 4 -5 8 -2 93.9413 62.7058 3 -5 -8 -3 107.430 112.415 4 -5 8 -3-18.1688 54.7240 3 5 8 4 1889.83 339.730 1 -5 -8 -4 2250.46 356.417 4 -5 8 -4 2006.06 188.802 3 -5 -8 -5 1151.95 266.163 4 5 8 5 1229.82 279.525 1 -5 -8 -6 348.953 157.460 4 5 8 6 657.725 216.684 1 -5 -8 -7 742.570 235.378 4 5 8 7 650.526 213.178 1 5 8 8 135.694 109.590 1 -5 -8 -8 377.224 173.431 4 -5 -8 -9-109.551 109.258 4 5 8 9 123.665 99.0230 1 5 8 10-216.565 143.131 1 -5 -8 -10 349.693 175.705 4 -5 9 13-18.0717 76.3953 3 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132.960 3 5 10 5 323.408 162.022 1 -5 -10 -5 3.49091 124.788 4 -5 10 -5 186.157 68.0983 3 -5 -10 -6 226.882 174.365 4 5 10 6-4.67922 64.0417 1 -5 -10 -7 898.298 266.769 4 5 10 7 1382.03 313.830 1 -5 -10 -8 414.374 180.881 4 5 10 8 243.161 140.607 1 5 10 9 1319.40 310.281 1 -5 11 12 1500.34 260.766 3 -5 11 11 859.733 200.782 3 -5 11 10 593.713 169.561 3 -5 11 9 516.825 159.146 3 -5 11 8 2540.75 308.328 3 -5 11 7 1908.55 265.878 3 -5 11 6-92.0729 96.4647 3 -5 11 5 73.6889 87.8973 3 -5 11 4 2732.86 262.901 1 -5 11 4 3009.77 303.174 3 -5 -11 3 722.388 213.694 4 -5 11 3 730.681 152.868 1 5 -11 -3 563.852 112.990 4 -5 11 3 818.560 167.048 3 -5 -11 2-74.9360 134.600 4 5 -11 -2-9.67274 34.1276 4 -5 11 2-26.8546 57.3507 1 -5 11 2 32.4148 59.7076 3 -5 -11 1 505.805 217.625 4 -5 11 1 29.2127 59.5738 3 -5 -11 0 9097.54 717.867 4 -5 11 0 7813.61 270.835 2 -5 11 0 8334.83 463.762 3 -5 -11 -1 708.516 219.662 4 -5 11 -1 638.613 136.391 3 -5 -11 -2 7564.62 663.421 4 -5 11 -2 7510.23 430.896 3 -5 -11 -3 1186.02 295.905 4 -5 11 -3 1346.63 183.164 3 -5 -11 -4 128.038 133.685 4 -5 11 -4 181.362 74.2511 3 5 11 5 968.127 254.289 1 -5 -11 -5 1528.27 338.540 4 -5 11 -5 1078.97 158.036 3 5 11 6 1704.40 343.493 1 -5 -11 -6 2616.87 427.906 4 -5 -11 -7-263.544 154.350 4 5 11 7 261.392 137.556 1 -5 -11 -8-263.896 157.595 4 5 11 8-161.518 120.016 1 5 11 9-9.51628 111.250 1 -5 12 11 928.125 222.515 3 -5 12 10 844.764 200.668 3 -5 12 9 1642.84 263.810 3 -5 12 8 2086.15 284.674 3 -5 12 7 1852.32 266.646 3 -5 12 6 252.412 101.596 3 -5 12 5 2785.10 309.304 3 -5 12 4 153.855 76.9698 1 5 -12 -4 235.755 81.0369 4 -5 12 4 174.965 102.918 3 5 -12 -3 2127.51 218.288 4 -5 -12 3 1472.96 306.116 4 -5 12 3 1385.23 208.350 1 -5 12 3 1616.54 226.990 3 -5 -12 2 1003.50 263.703 4 5 -12 -2 932.569 126.084 4 -5 12 2 593.146 137.102 3 -5 -12 1 326.223 181.776 4 -5 12 1 252.268 97.3100 3 -5 -12 0 394.797 200.257 4 -5 12 0 268.466 92.5326 3 -5 -12 -1 107.693 140.199 4 -5 12 -1 216.438 91.2814 3 -5 -12 -2 373.416 179.517 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388.743 4 7 1 -3 3829.85 388.072 4 7 1 -3 3913.19 240.626 2 7 1 -3 4079.75 443.662 1 7 -1 -3 4518.80 451.082 1 7 -1 -2 2016.81 251.192 4 7 1 -2 2058.60 161.656 2 7 1 -2 2098.32 279.801 4 7 1 -2 2658.84 369.435 1 7 -1 -2 2367.86 350.503 1 7 1 -1 47.4865 56.9359 4 7 -1 -1-11.4313 39.3476 4 7 1 -1 32.1173 93.7467 1 7 -1 -1-77.0027 51.4118 3 7 1 -1-24.5694 43.4763 3 7 -1 0 174.434 114.760 1 7 1 0 118.424 69.9708 4 7 1 0 3.09620 43.2026 3 7 -1 1 339.276 146.518 1 7 1 1 430.779 173.727 1 7 1 2-88.6575 94.9558 1 -7 -1 -2 88.6932 78.8650 4 7 -1 2-34.3790 89.1319 1 -7 -1 -3-59.9728 87.6887 4 7 1 3 132.850 131.893 1 7 -1 3-61.1006 93.4889 1 7 -1 4 258.563 158.281 1 -7 -1 -4 174.157 87.7715 4 7 1 4 449.718 186.636 1 7 -1 5 356.546 175.644 1 7 1 5 410.952 181.895 1 7 1 6-65.9092 113.674 1 7 -1 6 58.7687 85.5759 1 -7 2 13 710.202 191.559 2 -7 -2 13 460.669 161.502 2 -7 2 12 119.916 88.7531 2 -7 -2 12 212.379 115.727 2 -7 2 11 1005.57 201.107 2 -7 -2 11 802.251 185.833 2 -7 2 10 1778.59 244.953 2 -7 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1091.79 167.636 3 7 -3 -2 1009.87 157.776 4 7 -3 -2 1078.64 229.151 1 7 3 -2 971.719 130.645 2 -7 3 1 492.428 110.293 3 7 3 -1 297.529 156.087 1 7 -3 -1 573.481 174.180 1 7 3 -1 671.434 105.984 2 7 3 -1 454.027 103.479 3 7 3 0 780.443 225.000 1 7 -3 0 543.704 181.458 1 7 3 0 625.067 110.783 3 -7 -3 -1 2980.87 344.098 4 7 3 1 2896.71 431.307 1 7 -3 1 3288.11 421.164 1 -7 -3 -2 1450.73 254.820 4 7 -3 2 1344.78 282.707 1 7 3 2 1530.61 320.838 1 -7 -3 -3 457.655 144.928 4 7 -3 3 506.588 190.182 1 7 3 3 354.309 179.218 1 7 3 4 2212.04 400.034 1 -7 -3 -4 1795.29 281.636 4 7 -3 4 2208.14 367.260 1 7 -3 5 2275.94 392.700 1 -7 -3 -5 1937.65 300.263 4 7 3 5 2116.79 395.219 1 7 3 6 602.060 221.743 1 -7 4 13 882.111 206.256 2 -7 -4 12 378.529 159.518 2 -7 4 12 437.015 146.444 2 -7 -4 11 219.519 96.4225 2 -7 4 11 569.093 150.311 2 -7 -4 10 1014.26 202.906 2 -7 4 10 820.103 168.965 2 -7 -4 9 1084.82 205.266 2 -7 4 9 781.867 157.671 2 -7 4 8-21.2070 55.5794 3 -7 4 8 102.285 66.5992 2 -7 4 7 803.417 137.810 2 -7 4 7 989.145 188.971 3 7 -4 -7 920.812 166.616 1 -7 4 6 3660.10 268.565 2 7 -4 -6 4826.96 389.469 1 -7 4 6 4284.27 369.800 3 -7 4 5 562.810 143.837 3 7 -4 -5 495.752 145.383 1 -7 4 4 137.120 80.9143 3 7 -4 -4-1.35588 63.8988 4 7 -4 -4 87.4962 88.5389 1 7 4 -4 69.2318 53.1483 2 -7 4 3 515.322 130.651 3 7 -4 -3 448.424 153.333 1 7 4 -3 331.693 91.8091 2 7 4 -2 3724.18 266.610 2 -7 4 2 4492.62 335.011 3 7 -4 -2 3443.86 389.664 1 7 -4 -1 1768.83 291.665 1 7 4 -1 1955.48 347.048 1 7 4 -1 1757.37 177.891 2 7 4 -1 1707.87 191.744 3 -7 4 1 1813.27 205.614 3 -7 4 0 753.111 125.262 3 -7 -4 0 906.026 213.598 4 7 4 0 319.758 115.224 1 7 -4 0 627.657 188.743 1 -7 -4 -1 1609.24 285.762 4 7 4 1 1979.83 352.642 1 7 -4 1 1724.17 310.012 1 -7 4 -1 1672.47 181.084 3 7 -4 2 613.118 205.501 1 -7 -4 -2 579.640 179.056 4 7 4 2 587.628 209.512 1 7 -4 3 5415.77 566.365 1 -7 -4 -3 4844.98 471.710 4 7 4 3 5633.35 623.350 1 7 4 4 917.029 264.872 1 -7 -4 -4 857.654 211.417 4 7 -4 4 1054.03 263.892 1 7 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310.176 110.729 3 -7 7 2 825.117 159.493 3 -7 7 1 361.289 96.3681 3 -7 -7 1 467.172 190.792 4 -7 7 0 558.341 125.709 3 -7 -7 0 557.122 184.522 4 -7 7 -1 1059.90 158.742 3 7 7 1 857.626 251.371 1 -7 -7 -1 728.482 223.513 4 -7 7 -2 217.479 77.4116 3 -7 -7 -2 572.256 202.936 4 7 7 2 313.182 171.128 1 -7 -7 -3 51.4641 94.7606 4 7 7 3-74.0426 142.441 1 -7 -7 -4-139.055 134.850 4 7 7 4-215.562 151.016 1 -7 -7 -5 274.838 148.195 4 7 7 5-37.6309 105.334 1 -7 -7 -6 309.065 154.881 4 -7 -7 -7 490.595 191.167 4 -7 8 12 390.876 134.497 2 -7 8 11 273.822 118.293 2 -7 8 10 1535.56 261.991 3 -7 8 10 1296.91 217.791 2 -7 8 9 1095.81 224.668 3 -7 8 9 863.415 171.620 2 -7 8 8 907.400 206.852 3 -7 8 8 1073.54 168.460 2 -7 8 7 101.488 77.9378 3 -7 8 7 279.747 88.6469 2 -7 8 6 237.967 100.103 3 -7 8 6 271.068 76.0307 2 -7 8 5 355.626 124.079 3 -7 8 4 129.111 78.4947 3 -7 8 3 1037.01 185.206 3 -7 -8 2 1410.92 304.400 4 -7 8 2 1616.17 222.064 3 -7 8 1 1115.41 183.527 3 -7 -8 1 1071.04 259.516 4 -7 8 0 195.905 81.6547 3 -7 -8 0 35.5489 106.650 4 -7 8 -1 18.2703 47.5457 3 -7 -8 -1-106.771 137.811 4 7 8 1-115.322 152.096 1 -7 8 -2 910.569 149.509 3 7 8 2 897.105 276.251 1 -7 -8 -2 903.139 237.024 4 -7 -8 -3 294.242 154.910 4 7 8 3 152.968 133.772 1 -7 -8 -4 562.492 192.994 4 7 8 4 317.213 165.983 1 -7 -8 -5-22.4513 103.163 4 7 8 5-108.841 123.466 1 -7 -8 -6 243.304 149.376 4 -7 9 12 849.640 192.306 2 -7 9 11 25.0100 58.2569 2 -7 9 10-55.4728 85.2007 3 -7 9 10 105.170 79.1163 2 -7 9 9 81.6974 101.593 3 -7 9 9 75.5670 61.2554 2 -7 9 8 2568.34 268.779 2 -7 9 8 3030.67 351.861 3 -7 9 7-219.946 108.292 3 -7 9 7 60.4920 50.1844 2 -7 9 6 264.915 113.988 3 -7 9 6 238.561 78.9731 2 -7 9 5 615.856 157.921 3 -7 9 4 2386.72 289.255 3 -7 9 3 507.701 138.425 3 -7 -9 2 96.1756 133.837 4 -7 9 2-8.83939 66.6291 3 -7 9 1 14.3714 61.1277 3 -7 -9 1 184.542 120.243 4 -7 9 0 867.429 160.739 3 -7 -9 0 700.875 228.642 4 -7 -9 -1 2504.07 404.249 4 -7 9 -1 2068.45 236.339 3 -7 9 -2 261.954 88.9058 3 7 9 2 315.099 171.938 1 -7 -9 -2 50.7067 109.385 4 -7 -9 -3-158.945 155.884 4 7 9 3 494.928 211.707 1 -7 -9 -4 26.9292 104.594 4 7 9 4-134.440 130.960 1 -7 -9 -5 421.825 197.041 4 -7 -9 -6 99.4744 114.795 4 -7 10 12-30.5877 53.5643 2 -7 10 11 39.5116 58.9089 2 -7 10 10 720.949 165.735 2 -7 10 9 946.878 210.492 3 -7 10 9 925.220 173.616 2 -7 10 8 193.168 138.287 3 -7 10 8 168.918 93.7154 2 -7 10 7 42.9420 68.3606 3 -7 10 7-86.1135 55.5490 2 -7 10 6-21.3627 62.2240 3 -7 10 5 1979.69 274.160 3 -7 10 4 160.743 91.3302 3 -7 10 3 122.298 82.4650 3 -7 10 2 299.336 116.812 3 -7 -10 2 266.703 150.659 4 -7 -10 1 3596.71 484.442 4 -7 10 1 3496.54 327.581 3 -7 10 0 382.498 117.684 3 -7 -10 0 678.325 237.625 4 -7 10 -1 692.594 146.976 3 -7 -10 -1 937.400 280.177 4 -7 -10 -2 2168.19 391.157 4 -7 10 -2 1645.41 212.469 3 7 10 3 234.377 142.556 1 -7 -10 -3 147.657 125.260 4 -7 -10 -4 1345.53 333.614 4 -7 -10 -5 71.1806 149.284 4 -7 11 11 156.812 88.2262 2 -7 11 10 261.370 105.028 2 -7 11 9 448.731 121.896 2 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78.6642 3 -7 13 4 148.792 96.6580 3 -7 13 3 355.620 128.204 3 -7 -13 2 140.501 154.122 4 -7 13 2 147.462 98.7621 3 -7 -13 1 62.8418 127.068 4 -7 13 1 216.273 100.156 3 -7 -13 0-166.483 148.401 4 -7 13 0 2.06694 64.0215 3 -7 -13 -1 31.3126 162.002 4 -7 13 -1 70.2478 63.2274 3 -7 13 -2 167.754 70.1340 3 -7 14 4 89.0981 89.7942 3 -7 14 3 107.545 93.6686 3 -7 14 2-71.5003 73.6360 3 -7 14 1-91.0258 82.4030 3 -7 14 0 358.324 124.085 3 -7 14 -1 59.2225 68.6651 3 -7 15 2 141.332 64.4558 3 -7 15 1 123.932 81.3036 3 -7 15 0 16.6888 49.7771 3 -7 15 -1-66.7642 59.1420 3 -8 0 12 188.062 120.570 2 -8 0 11 1727.56 267.624 2 -8 0 10 117.383 88.7999 2 -8 0 9 361.506 118.796 2 8 0 -8-20.0924 63.8010 1 -8 0 8 287.691 108.670 2 8 0 -7 184.150 113.620 1 8 0 -6 13.0994 74.2018 1 8 0 -5 251.591 132.678 1 8 0 -4 401.579 161.876 1 8 0 -3 2778.38 395.066 1 8 0 -2 2683.17 406.748 1 8 0 -1 66.9349 107.344 1 8 0 0 9.01315 106.666 1 8 0 1 603.663 215.182 1 8 0 2 1966.30 387.674 1 8 0 3 1454.77 342.020 1 8 0 4-251.496 162.934 1 -8 1 12 2383.15 325.807 2 -8 -1 12 2439.61 333.544 2 -8 1 11 315.643 119.729 2 -8 -1 11 416.570 144.925 2 -8 1 10 7.77004 58.4475 2 -8 -1 10 61.6693 62.0007 2 -8 1 9 603.126 157.319 2 -8 -1 9 862.461 177.040 2 -8 1 8 382.630 114.356 2 8 -1 -8 571.553 158.221 1 8 1 -7 165.097 133.077 1 -8 1 7 386.146 102.736 2 8 -1 -7 516.934 166.536 1 8 1 -6 31.0938 70.7661 1 8 -1 -6-108.485 93.0620 1 8 1 -5 42.1277 109.804 1 8 -1 -5-188.105 122.428 1 8 1 -4 433.804 172.850 1 8 -1 -4 382.969 158.027 1 8 1 -3 1695.25 320.199 1 8 -1 -3 1524.38 300.252 1 8 -1 -2 348.430 157.431 1 8 1 -2 405.267 173.906 1 8 -1 -1 1266.65 283.025 1 8 1 -1 1014.36 264.689 1 8 -1 0 275.348 169.659 1 8 1 0 424.122 213.383 1 8 1 1 354.985 168.444 1 8 -1 1 516.378 206.926 1 8 1 2 842.566 260.672 1 8 -1 2 831.524 252.459 1 8 -1 3 444.285 187.962 1 8 1 3 791.814 245.186 1 8 -1 4-115.084 132.958 1 8 1 4-266.347 164.955 1 -8 2 12 49.2694 73.0872 2 -8 -2 12 150.854 103.530 2 -8 2 11 630.616 162.497 2 -8 -2 11 688.404 177.962 2 -8 2 10 145.833 85.8727 2 -8 -2 10 291.777 117.187 2 -8 2 9 657.996 149.311 2 -8 2 8-6.89459 68.4969 2 -8 2 7 1512.94 196.875 2 8 -2 -7 1731.23 269.634 1 8 2 -6 1115.49 256.893 1 8 -2 -6 1848.94 288.322 1 8 2 -5 2227.36 357.776 1 8 -2 -5 2187.16 321.468 1 8 -2 -4 80.7200 93.4225 1 8 2 -4-194.235 138.025 1 8 -2 -3 1571.04 291.600 1 8 2 -3 1340.60 291.246 1 8 -2 -2 2457.07 373.356 1 8 2 -2 3036.86 434.237 1 8 -2 -1 519.737 168.619 1 8 2 -1 893.458 251.741 1 8 -2 0 431.159 189.692 1 8 2 0 291.959 161.320 1 8 -2 1 256.880 144.904 1 8 2 1 133.192 132.781 1 8 2 2 927.787 272.587 1 8 -2 2 866.588 245.812 1 8 2 3 183.618 154.489 1 8 -2 3 101.363 106.928 1 8 -2 4-77.9356 85.9027 1 -8 3 13 38.0373 70.3676 2 -8 3 12 501.784 155.411 2 -8 -3 12 152.891 124.463 2 -8 3 11-181.063 93.1941 2 -8 -3 11-81.2777 80.9725 2 -8 3 10-68.4065 65.2275 2 -8 3 9 334.337 112.669 2 -8 3 8 128.255 66.5226 2 8 -3 -7 168.729 94.9197 1 -8 3 7 341.006 96.7375 2 8 -3 -6 40.6868 74.9760 1 8 -3 -5 97.6837 100.051 1 8 3 -5 69.9142 123.130 1 8 3 -4-130.487 143.580 1 8 -3 -4-216.721 125.247 1 8 3 -3 2420.54 390.534 1 8 -3 -3 2968.93 385.121 1 8 3 -2 1489.80 317.368 1 8 -3 -2 1261.59 275.481 1 8 3 -1-151.615 142.934 1 8 -3 -1-23.6952 83.5908 1 8 -3 0 68.3372 98.8836 1 8 3 0 171.703 127.214 1 8 -3 1 353.698 189.720 1 8 3 1 111.886 143.025 1 -8 -3 -2 57.0840 75.2968 4 8 -3 2 186.420 133.567 1 8 3 2-150.746 133.236 1 8 3 3 373.000 181.736 1 8 -3 3 295.638 160.267 1 -8 4 12-180.313 99.9936 2 -8 -4 12 48.9863 80.3691 2 -8 4 11-60.3205 68.1314 2 -8 4 10 281.677 108.813 2 -8 4 9-21.1380 50.3255 2 -8 4 8 28.0309 40.9782 2 -8 4 7 32.6617 42.3182 2 8 -4 -6 351.862 126.663 1 8 -4 -5 9.86738 87.7630 1 8 -4 -4 386.043 127.903 1 8 -4 -3 1582.58 281.383 1 8 4 -3 1375.29 306.713 1 8 -4 -2 213.904 128.202 1 8 4 -2 221.581 142.808 1 8 4 -1-84.9325 95.8816 1 8 -4 -1 69.3036 98.4913 1 8 4 0 296.151 176.460 1 8 -4 0 107.590 95.4303 1 -8 -4 -1-167.572 106.964 4 8 4 1-82.8916 118.962 1 8 -4 1-110.709 104.442 1 -8 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531.062 163.440 3 -8 6 8-62.5131 85.5768 3 -8 6 7 797.147 184.329 3 -8 6 6 2359.22 306.605 3 8 -6 -5 649.140 166.075 1 -8 6 5 896.190 182.718 3 -8 6 4 184.246 111.919 3 8 -6 -4 331.545 131.964 1 8 -6 -3 2134.96 315.937 1 -8 6 3 1806.36 242.993 3 -8 6 2 358.113 112.444 3 8 6 -2 253.207 163.104 1 8 -6 -2 498.659 168.526 1 8 6 -1 1586.04 350.482 1 -8 6 1 1291.41 193.677 3 8 -6 -1 1325.23 269.192 1 -8 -6 0 227.730 124.674 4 -8 6 0 535.737 127.034 3 8 6 0 635.063 231.623 1 8 -6 0 312.244 147.035 1 -8 -6 -1-38.6189 126.338 4 8 6 1-46.1742 99.5564 1 -8 -6 -2-93.2396 85.5856 4 8 6 2 448.338 214.718 1 -8 -6 -3 677.849 231.165 4 -8 -6 -4 150.045 112.303 4 -8 7 9 81.2842 84.6880 3 -8 7 8 762.063 189.227 3 -8 7 7 2135.08 300.629 3 -8 7 6 207.807 103.250 3 -8 7 5 1253.79 220.869 3 -8 7 4 2812.69 314.418 3 -8 7 3 1731.58 240.295 3 -8 7 2 32.1326 58.7049 3 8 7 -1-279.622 167.154 1 -8 7 1 198.257 89.1931 3 -8 7 0 668.641 142.554 3 -8 -7 0 473.130 190.904 4 8 7 0 510.717 211.573 1 -8 -7 -1 571.557 210.821 4 8 7 1 685.566 248.198 1 -8 -7 -2 211.562 149.741 4 8 7 2 320.955 176.504 1 -8 -7 -3 91.1511 114.997 4 -8 -7 -4 717.793 234.271 4 -8 8 8 545.743 165.077 3 -8 8 7 81.5602 88.2763 3 -8 8 6 1444.66 244.688 3 -8 8 5 640.084 161.958 3 -8 8 4 1313.99 221.472 3 -8 8 3 903.703 180.993 3 -8 8 2 334.198 116.219 3 -8 8 1 1472.67 215.773 3 -8 8 0 441.888 121.529 3 8 8 0 33.0035 119.067 1 -8 -8 0 548.031 195.113 4 -8 -8 -1 351.521 190.182 4 8 8 1-92.1606 117.539 1 -8 -8 -2-39.7836 102.947 4 -8 -8 -3 1046.84 280.434 4 -8 -8 -4 200.942 146.467 4 -8 9 8 21.7134 64.9967 3 -8 9 7 618.955 175.739 3 -8 9 6 269.327 123.780 3 -8 9 5-74.4890 89.3702 3 -8 9 4 57.7033 78.0032 3 -8 9 3 637.872 151.163 3 -8 9 2 125.803 66.4545 3 -8 -9 1 274.629 142.607 4 -8 9 1 345.828 123.627 3 -8 9 0 17.7258 59.6230 3 -8 -9 0 18.9833 98.0173 4 8 9 0 57.9411 129.424 1 -8 -9 -1 355.307 166.974 4 -8 -9 -2 475.303 196.180 4 -8 -9 -3 489.926 213.576 4 -8 -9 -4 456.660 193.879 4 -8 10 7 253.723 122.731 3 -8 10 6 18.7742 51.5812 3 -8 10 5-35.4880 59.3017 3 -8 10 4 173.994 69.6460 3 -8 10 3 6.42377 43.9675 3 -8 10 2-128.378 82.5871 3 -8 10 1 38.8253 63.5395 3 -8 -10 1 88.8226 124.282 4 -8 10 0-53.9184 57.7279 3 -8 -10 0-182.581 149.563 4 -8 -10 -1 460.610 201.170 4 -8 -10 -2 115.456 147.410 4 -8 -10 -3 170.657 176.572 4 -8 11 6 11.3873 61.0166 3 -8 11 5 95.1474 73.3771 3 -8 11 4 304.218 106.450 3 -8 11 3 176.145 95.1630 3 -8 11 2 380.920 137.535 3 -8 11 1 117.438 95.1757 3 -8 -11 1 56.3930 142.357 4 -8 11 0 274.290 119.589 3 -8 -11 0 443.244 203.495 4 -8 -11 -1-26.1506 107.682 4 -8 12 4 279.574 122.492 3 -8 12 3-7.09791 81.2345 3 -8 12 2 156.799 118.350 3 -8 12 1 712.169 175.815 3 -8 12 0 700.079 165.462 3 -8 13 3 347.220 128.407 3 -8 13 2 245.533 108.319 3 -8 13 1 142.662 109.269 3 9 0 -7-99.2697 125.014 1 9 0 -6-220.742 129.822 1 9 0 -5-43.2630 113.779 1 9 0 -4 188.857 155.847 1 9 0 -3 123.635 117.816 1 9 0 -2-211.170 140.093 1 9 0 -1-31.4163 83.4240 1 9 0 0 198.724 154.383 1 9 0 1-71.5711 115.150 1 -9 -1 11-0.61805 76.4619 2 9 1 -7-91.2848 103.463 1 9 1 -6 399.966 170.608 1 9 -1 -6 399.214 163.514 1 9 1 -5 157.154 119.059 1 9 -1 -5 123.329 123.468 1 9 -1 -4 205.514 138.848 1 9 1 -4 103.486 101.102 1 9 -1 -3 686.863 216.285 1 9 1 -3 482.095 204.292 1 9 -1 -2 62.5564 134.019 1 9 1 -2 109.963 117.646 1 9 1 -1-168.103 126.651 1 9 -1 -1-32.9126 70.0384 1 9 1 0 57.2736 120.883 1 9 -1 0 69.5656 154.298 1 9 -1 1-65.9413 103.971 1 9 2 -8-176.409 118.266 1 9 2 -7 65.4478 89.6292 1 9 -2 -6 261.428 133.276 1 9 2 -6 223.279 143.436 1 9 -2 -5-30.0415 72.7478 1 9 2 -5 142.991 103.439 1 9 -2 -4-36.7937 111.902 1 9 2 -4 98.3969 110.062 1 9 -2 -3 41.5294 84.7389 1 9 2 -3 93.7479 140.010 1 9 -2 -2 660.630 220.683 1 9 2 -2 289.994 160.825 1 9 -2 -1-99.6552 98.2923 1 9 2 -1 315.373 173.276 1 9 -2 0 322.491 199.410 1 9 2 0 223.541 157.195 1 9 -2 1 134.208 126.181 1 9 3 -8 156.803 123.350 1 9 3 -7 61.8724 85.2471 1 9 3 -6-176.997 127.842 1 9 3 -5 69.8203 118.195 1 9 -3 -5 31.5803 80.1241 1 9 3 -4 164.256 125.878 1 9 -3 -4 226.683 135.612 1 9 3 -3 632.975 251.675 1 9 -3 -3 700.856 205.396 1 9 3 -2-192.620 138.394 1 9 -3 -2-54.4156 98.2245 1 9 -3 -1 107.775 135.525 1 9 3 -1-306.890 170.562 1 9 -3 0 134.368 120.100 1 9 3 0 887.958 279.471 1 9 -3 1 236.461 145.613 1 9 4 -6 543.941 213.443 1 9 -4 -5 230.064 138.858 1 9 4 -5 314.712 170.505 1 9 -4 -4 131.470 119.317 1 9 4 -4 449.347 196.738 1 9 -4 -3-210.346 133.487 1 9 4 -3 149.896 130.258 1 9 4 -2 494.049 212.029 1 9 -4 -2 479.204 186.363 1 9 4 -1 141.701 141.528 1 9 -4 -1 209.703 133.314 1 9 -4 0 223.770 140.893 1 9 -4 1 385.719 184.512 1 9 5 -5 287.516 166.462 1 9 5 -4 337.533 173.644 1 9 -5 -4 630.044 189.473 1 9 -5 -3 1216.91 273.756 1 9 5 -3 1190.54 320.919 1 9 -5 -2 153.575 115.445 1 9 5 -2 124.758 128.200 1 9 5 -1 99.6183 122.399 1 9 -5 -1 463.262 181.995 1 9 -5 0 993.515 288.217 1 -9 6 5 242.805 108.683 3 -9 6 4 376.458 131.005 3 9 6 -4 415.497 182.662 1 9 6 -3-338.591 179.449 1 -9 6 3-187.925 93.1442 3 9 -6 -3 35.9092 85.6433 1 9 6 -2 293.939 189.330 1 9 -6 -2 205.480 154.871 1 -9 7 6-52.4606 72.8391 3 -9 7 5 3.48805 48.8306 3 -9 7 4-92.4175 72.7916 3 9 7 -3-44.7137 112.132 1 -9 7 3-64.6528 69.1640 3 -9 7 2-98.9641 74.2446 3 -9 8 6 422.926 143.807 3 -9 8 5 330.270 121.669 3 -9 8 4-128.988 76.7587 3 -9 8 3 21.2012 64.8220 3 -9 8 2-39.2246 56.5811 3 -9 9 5 141.703 114.450 3 -9 9 4 268.076 121.881 3 -9 9 3 7.91254 47.0270 3 -9 9 2 398.374 126.973 3 -9 10 4-126.332 86.9847 3 -9 10 3 4.69683 48.7363 3 -9 10 2 200.816 97.0635 3 10 0 -5 164.907 124.373 1 10 0 -4 658.206 227.986 1 10 0 -3-85.3805 130.200 1 10 -1 -5 148.494 119.938 1 10 1 -5 42.7981 99.6260 1 10 -1 -4 157.103 126.896 1 10 1 -4 176.540 146.164 1 10 -1 -3 1068.70 300.003 1 10 2 -5 288.329 160.533 1 10 -2 -4 191.893 129.274 1 10 -2 -3-387.111 182.555 1 10 3 -5 213.545 152.195 1 0 0 0 0.00 0.00 0 TITL 15025 in P2(1)/a REM P2(1)/a (#14 in standard setting) CELL 0.71073 7.414467 16.095530 11.831412 90.0000 105.6317 90.0000 ZERR 4.00 0.000606 0.001634 0.000962 0.0000 0.0085 0.0000 LATT 1 SYMM -x+1/2, y+1/2,-z SFAC C H N O S UNIT 60.00 44.00 4.00 20.00 4.00 TREF HKLF 4 END ; _shelx_hkl_checksum 92822 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x+1/2, y+1/2, -z' '-x, -y, -z' 'x-1/2, -y-1/2, z' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_site_symmetry_order _atom_site_calc_flag _atom_site_refinement_flags_posn _atom_site_refinement_flags_adp C1 C 0.6093(3) 0.09861(14) 0.13487(17) 0.0480(5) Uani 1 1 d . . C2 C 0.4281(3) 0.10049(15) 0.0634(2) 0.0570(6) Uani 1 1 d . . H2 H 0.3896 0.1421 0.0075 0.068 Uiso 1 1 calc R U C3 C 0.3055(4) 0.03909(19) 0.0770(3) 0.0792(8) Uani 1 1 d . . H3 H 0.1833 0.0389 0.0292 0.095 Uiso 1 1 calc R U C4 C 0.3621(6) -0.0209(2) 0.1597(4) 0.0935(11) Uani 1 1 d . . H4 H 0.2781 -0.0621 0.1672 0.112 Uiso 1 1 calc R U C5 C 0.5406(6) -0.02200(18) 0.2322(3) 0.0930(10) Uani 1 1 d . . H5 H 0.5764 -0.0627 0.2896 0.112 Uiso 1 1 calc R U C6 C 0.6676(4) 0.03826(16) 0.2192(2) 0.0685(7) Uani 1 1 d . . H6 H 0.7900 0.0378 0.2668 0.082 Uiso 1 1 calc R U C7 C 0.8386(3) 0.26728(13) 0.41486(16) 0.0442(5) Uani 1 1 d . . C8 C 0.8881(3) 0.22983(14) 0.53488(16) 0.0456(5) Uani 1 1 d . . C9 C 0.8814(3) 0.14521(16) 0.5511(2) 0.0608(6) Uani 1 1 d . . H9 H 0.8425 0.1098 0.4870 0.073 Uiso 1 1 calc R U C10 C 0.9330(4) 0.11372(18) 0.6634(2) 0.0734(7) Uani 1 1 d . . H10 H 0.9313 0.0568 0.6764 0.088 Uiso 1 1 calc R U C11 C 0.9872(4) 0.16815(19) 0.7562(2) 0.0753(8) Uani 1 1 d . . H11 H 1.0235 0.1489 0.8332 0.090 Uiso 1 1 calc R U C12 C 0.9863(4) 0.2503(2) 0.7323(2) 0.0775(8) Uani 1 1 d . . H12 H 1.0227 0.2866 0.7955 0.093 Uiso 1 1 calc R U C13 C 0.8064(4) 0.35823(15) 0.4005(2) 0.0622(6) Uani 1 1 d . . H13A H 0.8212 0.3833 0.4761 0.093 Uiso 1 1 calc R U H13B H 0.8954 0.3819 0.3639 0.093 Uiso 1 1 calc R U H13C H 0.6818 0.3683 0.3522 0.093 Uiso 1 1 calc R U N1 N 0.7816(3) 0.24716(12) 0.21699(14) 0.0484(4) Uani 1 1 d . . N2 N 0.8297(2) 0.21513(11) 0.33146(13) 0.0464(4) Uani 1 1 d . . N3 N 0.9368(3) 0.28308(14) 0.62446(15) 0.0639(5) Uani 1 1 d . . O1 O 0.6953(2) 0.21659(12) 0.00783(12) 0.0674(5) Uani 1 1 d . . O2 O 0.9495(2) 0.13705(12) 0.14195(14) 0.0693(5) Uani 1 1 d . . S1 S 0.76860(7) 0.17491(4) 0.11664(4) 0.04974(19) Uani 1 1 d . . H1N H 0.686(3) 0.2827(16) 0.198(2) 0.060 Uiso 1 1 d . 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 C1 0.0561(12) 0.0453(12) 0.0443(10) -0.0061(9) 0.0164(9) -0.0002(9) C2 0.0521(12) 0.0497(13) 0.0686(14) -0.0120(11) 0.0150(10) 0.0006(10) C3 0.0662(16) 0.0669(18) 0.114(2) -0.0330(18) 0.0408(16) -0.0142(14) C4 0.125(3) 0.069(2) 0.114(3) -0.030(2) 0.079(2) -0.037(2) C5 0.170(4) 0.0485(16) 0.0719(18) 0.0010(14) 0.052(2) -0.011(2) C6 0.0960(19) 0.0523(15) 0.0537(13) 0.0004(11) 0.0139(12) 0.0051(13) C7 0.0422(10) 0.0493(12) 0.0386(10) -0.0028(9) 0.0067(8) -0.0043(9) C8 0.0426(10) 0.0534(13) 0.0389(10) -0.0011(9) 0.0077(8) -0.0022(9) C9 0.0771(15) 0.0543(15) 0.0516(12) 0.0021(11) 0.0181(11) 0.0010(12) C10 0.0875(18) 0.0640(17) 0.0694(16) 0.0197(14) 0.0225(14) 0.0061(14) C11 0.0801(17) 0.090(2) 0.0476(13) 0.0199(13) 0.0028(12) -0.0043(15) C12 0.0974(19) 0.088(2) 0.0384(12) 0.0005(13) 0.0027(12) -0.0201(16) C13 0.0839(16) 0.0490(14) 0.0477(12) 0.0001(10) 0.0075(11) -0.0019(12) N1 0.0549(10) 0.0496(11) 0.0363(8) 0.0001(8) 0.0047(7) -0.0029(8) N2 0.0489(9) 0.0507(11) 0.0364(8) -0.0008(7) 0.0061(7) 0.0008(8) N3 0.0796(13) 0.0659(14) 0.0394(9) -0.0019(9) 0.0042(9) -0.0089(11) O1 0.0843(11) 0.0773(12) 0.0360(8) 0.0034(7) 0.0083(7) -0.0208(9) O2 0.0498(9) 0.0904(13) 0.0679(10) -0.0234(9) 0.0160(7) 0.0004(8) S1 0.0505(3) 0.0606(4) 0.0368(3) -0.0054(2) 0.0095(2) -0.0069(2) loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' S S 0.1246 0.1234 '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 C6 C1 C2 121.5(2) C6 C1 S1 119.51(18) C2 C1 S1 118.98(17) C3 C2 C1 118.3(3) C3 C2 H2 120.8 C1 C2 H2 120.8 C4 C3 C2 120.5(3) C4 C3 H3 119.7 C2 C3 H3 119.7 C3 C4 C5 121.2(3) C3 C4 H4 119.4 C5 C4 H4 119.4 C4 C5 C6 119.5(3) C4 C5 H5 120.3 C6 C5 H5 120.3 C1 C6 C5 118.9(3) C1 C6 H6 120.5 C5 C6 H6 120.5 N2 C7 C13 125.67(18) N2 C7 C8 114.54(19) C13 C7 C8 119.79(18) N3 C8 C9 122.41(19) N3 C8 C7 116.1(2) C9 C8 C7 121.47(19) C10 C9 C8 119.2(2) C10 C9 H9 120.4 C8 C9 H9 120.4 C9 C10 C11 118.7(3) C9 C10 H10 120.6 C11 C10 H10 120.6 C12 C11 C10 118.1(2) C12 C11 H11 120.9 C10 C11 H11 120.9 N3 C12 C11 124.8(3) N3 C12 H12 117.6 C11 C12 H12 117.6 C7 C13 H13A 109.5 C7 C13 H13B 109.5 H13A C13 H13B 109.5 C7 C13 H13C 109.5 H13A C13 H13C 109.5 H13B C13 H13C 109.5 N2 N1 S1 112.77(14) N2 N1 H1N 117.4(15) S1 N1 H1N 112.5(15) C7 N2 N1 116.68(18) C8 N3 C12 116.7(2) O1 S1 O2 119.90(11) O1 S1 N1 104.67(10) O2 S1 N1 106.31(10) O1 S1 C1 109.58(10) O2 S1 C1 107.46(11) N1 S1 C1 108.42(9) loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance C1 C6 1.376(3) C1 C2 1.382(3) C1 S1 1.757(2) C2 C3 1.381(4) C2 H2 0.9300 C3 C4 1.358(5) C3 H3 0.9300 C4 C5 1.369(5) C4 H4 0.9300 C5 C6 1.389(4) C5 H5 0.9300 C6 H6 0.9300 C7 N2 1.283(3) C7 C13 1.486(3) C7 C8 1.495(3) C8 N3 1.335(3) C8 C9 1.378(3) C9 C10 1.376(3) C9 H9 0.9300 C10 C11 1.377(4) C10 H10 0.9300 C11 C12 1.351(4) C11 H11 0.9300 C12 N3 1.338(3) C12 H12 0.9300 C13 H13A 0.9600 C13 H13B 0.9600 C13 H13C 0.9600 N1 N2 1.402(2) N1 S1 1.6461(18) N1 H1N 0.89(2) O1 S1 1.4234(16) O2 S1 1.4295(17) loop_ _geom_hbond_atom_site_label_D _geom_hbond_atom_site_label_H _geom_hbond_atom_site_label_A _geom_hbond_distance_DH _geom_hbond_distance_HA _geom_hbond_distance_DA _geom_hbond_angle_DHA _geom_hbond_site_symmetry_A N1 H1N O2 0.89(2) 2.14(2) 3.024(3) 176(2) 4_565 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 C6 C1 C2 C3 -1.0(3) S1 C1 C2 C3 178.65(17) C1 C2 C3 C4 0.7(4) C2 C3 C4 C5 0.6(4) C3 C4 C5 C6 -1.5(4) C2 C1 C6 C5 0.1(4) S1 C1 C6 C5 -179.58(19) C4 C5 C6 C1 1.2(4) N2 C7 C8 N3 166.51(18) C13 C7 C8 N3 -12.8(3) N2 C7 C8 C9 -14.2(3) C13 C7 C8 C9 166.5(2) N3 C8 C9 C10 -2.4(3) C7 C8 C9 C10 178.4(2) C8 C9 C10 C11 0.9(4) C9 C10 C11 C12 0.3(4) C10 C11 C12 N3 -0.2(5) C13 C7 N2 N1 -1.4(3) C8 C7 N2 N1 179.30(15) S1 N1 N2 C7 -178.44(14) C9 C8 N3 C12 2.4(3) C7 C8 N3 C12 -178.3(2) C11 C12 N3 C8 -1.1(4) N2 N1 S1 O1 172.57(13) N2 N1 S1 O2 -59.59(16) N2 N1 S1 C1 55.68(16) C6 C1 S1 O1 165.10(18) C2 C1 S1 O1 -14.6(2) C6 C1 S1 O2 33.3(2) C2 C1 S1 O2 -146.39(17) C6 C1 S1 N1 -81.2(2) C2 C1 S1 N1 99.09(18)