#------------------------------------------------------------------------------ #$Date: 2022-06-23 12:42:13 +0300 (Thu, 23 Jun 2022) $ #$Revision: 276192 $ #$URL: file:///home/coder/svn-repositories/cod/cif/8/10/54/8105486.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_8105486 loop_ _publ_author_name 'Caracelli, Ignez' 'Zukerman-Schpector, Julio' 'Garcia, Ariel L. Llanes' 'Correia, Carlos Roque D.' 'Tiekink, Edward R.T.' _publ_section_title ; Crystal structure of tert-butyl (1S,2R,5R)-2-(hydroxymethyl)-4-(4-methoxyphenyl)-6-oxa-3-azabicyclo[3.1.0]hexane-3-carboxylate, C17H23NO5 ; _journal_issue 6 _journal_name_full 'Zeitschrift f\"ur Kristallographie - New Crystal Structures' _journal_page_first 1431 _journal_page_last 1433 _journal_paper_doi 10.1515/ncrs-2020-0349 _journal_volume 235 _journal_year 2020 _chemical_absolute_configuration syn _chemical_formula_moiety 'C17 H23 N O5' _chemical_formula_sum 'C17 H23 N O5' _chemical_formula_weight 321.36 _space_group_crystal_system monoclinic _space_group_IT_number 4 _space_group_name_Hall 'P 2yb' _space_group_name_H-M_alt 'P 1 21 1' _atom_sites_solution_hydrogens mixed _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _audit_creation_method SHELXL-2018/3 _cell_angle_alpha 90 _cell_angle_beta 94.174(9) _cell_angle_gamma 90 _cell_formula_units_Z 2 _cell_length_a 6.0479(9) _cell_length_b 9.7032(10) _cell_length_c 14.711(2) _cell_measurement_reflns_used 25 _cell_measurement_temperature 293(2) _cell_measurement_theta_max 11.12 _cell_measurement_theta_min 9.89 _cell_volume 861.0(2) _computing_cell_refinement 'XCAD4 [2]' _computing_data_collection 'CAD4 Express [1]' _computing_data_reduction 'XCAD4 [2]' _computing_molecular_graphics 'ORTEP-3 for Windows [5]' _computing_publication_material 'SHELXL-2018/3 [4]' _computing_structure_refinement 'SHELXL-2018/3 [4]' _computing_structure_solution 'SIR2014 [3]' _diffrn_ambient_temperature 293(2) _diffrn_measured_fraction_theta_full 0.999 _diffrn_measured_fraction_theta_max 0.996 _diffrn_measurement_device_type 'Enraf Nonius TurboCAD4' _diffrn_measurement_method 'non-profiled \w/2\q scans' _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0367 _diffrn_reflns_av_unetI/netI 0.0805 _diffrn_reflns_Laue_measured_fraction_full 0.999 _diffrn_reflns_Laue_measured_fraction_max 0.996 _diffrn_reflns_limit_h_max 7 _diffrn_reflns_limit_h_min 0 _diffrn_reflns_limit_k_max 12 _diffrn_reflns_limit_k_min 0 _diffrn_reflns_limit_l_max 19 _diffrn_reflns_limit_l_min -19 _diffrn_reflns_number 2373 _diffrn_reflns_point_group_measured_fraction_full 0.531 _diffrn_reflns_point_group_measured_fraction_max 0.527 _diffrn_reflns_theta_full 25.242 _diffrn_reflns_theta_max 27.969 _diffrn_reflns_theta_min 1.388 _diffrn_source 'Enraf Nonius FR590' _diffrn_standards_decay_% 1.1 _diffrn_standards_interval_time 30 _diffrn_standards_number 3 _exptl_absorpt_coefficient_mu 0.091 _exptl_absorpt_correction_type none _exptl_crystal_colour colourless _exptl_crystal_density_diffrn 1.240 _exptl_crystal_description irregular _exptl_crystal_F_000 344 _exptl_crystal_size_max 0.128 _exptl_crystal_size_mid 0.110 _exptl_crystal_size_min 0.080 _refine_diff_density_max 0.204 _refine_diff_density_min -0.195 _refine_diff_density_rms 0.057 _refine_ls_abs_structure_details ; No quotients, so Flack parameter determined by classical intensity fit ; _refine_ls_abs_structure_Flack 0(2) _refine_ls_extinction_coef . _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 0.893 _refine_ls_hydrogen_treatment mixed _refine_ls_matrix_type full _refine_ls_number_parameters 215 _refine_ls_number_reflns 2177 _refine_ls_number_restraints 2 _refine_ls_restrained_S_all 0.893 _refine_ls_R_factor_all 0.1245 _refine_ls_R_factor_gt 0.0440 _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^)+(0.0865P)^2^] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.1141 _refine_ls_wR_factor_ref 0.1436 _reflns_Friedel_coverage 0.000 _reflns_Friedel_fraction_full 0.000 _reflns_Friedel_fraction_max 0.000 _reflns_number_gt 959 _reflns_number_total 2177 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file suppl_ncrs-2020-0349_suppl.cif _cod_data_source_block shelx _cod_original_sg_symbol_H-M 'P 21' _cod_database_code 8105486 _shelx_shelxl_version_number 2018/3 _shelx_space_group_comment ; The symmetry employed for this shelxl refinement is uniquely defined by the following loop, which should always be used as a source of symmetry information in preference to the above space-group names. They are only intended as comments. ; _shelx_estimated_absorpt_t_min 0.988 _shelx_estimated_absorpt_t_max 0.993 _shelx_res_file ; TITL s86 shelx.res created by SHELXL-2018/3 at 19:57:55 on 08-Jul-2020 CELL 0.71073 6.0479 9.7032 14.7108 90.000 94.174 90.000 ZERR 2.00 0.0009 0.0010 0.0020 0.000 0.009 0.000 LATT -1 SYMM - X, 1/2 + Y, - Z SFAC C H N O UNIT 34 46 2 10 MERG 2 FMAP 2 PLAN 5 SIZE 0.080 0.110 0.128 ACTA BOND $H CONF L.S. 18 DFIX 0.82 0.01 O5 H5o WGHT 0.086500 FVAR 1.14086 O1 4 1.095454 0.623922 0.046164 11.00000 0.05854 0.09509 = 0.06979 -0.02101 0.02034 0.00496 O2 4 0.543646 0.680876 0.262474 11.00000 0.03433 0.08148 = 0.05354 -0.00747 0.00827 -0.00562 O3 4 0.884982 0.730038 0.327977 11.00000 0.04066 0.06579 = 0.03521 -0.00525 0.00772 -0.00480 O4 4 1.002376 1.351052 0.262656 11.00000 0.07364 0.05526 = 0.12320 -0.00471 0.02001 -0.00512 O5 4 0.517456 0.499864 0.005983 11.00000 0.05559 0.11424 = 0.07617 -0.04893 -0.00568 0.00304 H5O 2 0.386277 0.520336 -0.004597 11.00000 -1.50000 N1 3 0.839961 0.711823 0.178324 11.00000 0.03891 0.05842 = 0.03891 -0.00309 0.00573 -0.00366 C1 1 1.051751 0.786511 0.170984 11.00000 0.03590 0.05439 = 0.04688 -0.00003 0.00885 -0.00384 AFIX 13 H1 2 1.170684 0.742274 0.209306 11.00000 -1.20000 AFIX 0 C2 1 1.088101 0.765797 0.072077 11.00000 0.06267 0.06686 = 0.05812 -0.00041 0.02195 -0.00754 AFIX 13 H2 2 1.174220 0.833775 0.040294 11.00000 -1.20000 AFIX 0 C3 1 0.895794 0.703188 0.025120 11.00000 0.06075 0.08814 = 0.04056 0.00329 0.00544 -0.00193 AFIX 13 H3 2 0.852173 0.728652 -0.038120 11.00000 -1.20000 AFIX 0 C4 1 0.720962 0.677225 0.091081 11.00000 0.05182 0.06288 = 0.04303 -0.00570 0.00500 0.00713 AFIX 13 H4 2 0.595957 0.740386 0.078668 11.00000 -1.20000 AFIX 0 C5 1 0.738684 0.705758 0.257506 11.00000 0.04897 0.03709 = 0.04376 -0.00442 0.00893 0.00532 C6 1 0.816196 0.744494 0.420821 11.00000 0.06160 0.06775 = 0.03427 -0.00493 0.00995 0.00052 C7 1 0.675068 0.871172 0.425841 11.00000 0.12014 0.10083 = 0.07426 -0.02706 0.01126 0.03721 AFIX 137 H7A 2 0.748015 0.947657 0.399407 11.00000 -1.50000 H7B 2 0.652611 0.891178 0.488413 11.00000 -1.50000 H7C 2 0.534339 0.855684 0.392915 11.00000 -1.50000 AFIX 0 C8 1 0.698785 0.616499 0.449434 11.00000 0.10550 0.11503 = 0.06527 0.02948 0.02189 -0.01931 AFIX 137 H8A 2 0.554585 0.611799 0.417677 11.00000 -1.50000 H8B 2 0.683596 0.619360 0.513913 11.00000 -1.50000 H8C 2 0.783320 0.536737 0.434955 11.00000 -1.50000 AFIX 0 C9 1 1.035946 0.761606 0.474491 11.00000 0.07383 0.13909 = 0.05017 -0.01860 0.00129 -0.00497 AFIX 137 H9A 2 1.123476 0.679990 0.468595 11.00000 -1.50000 H9B 2 1.011915 0.776331 0.537546 11.00000 -1.50000 H9C 2 1.112638 0.839414 0.451570 11.00000 -1.50000 AFIX 0 C10 1 1.036506 0.937322 0.194798 11.00000 0.03863 0.05677 = 0.04200 0.00796 0.00851 -0.00376 C11 1 0.846783 1.014227 0.179891 11.00000 0.04032 0.05711 = 0.06641 0.01098 0.00152 -0.00047 AFIX 43 H11 2 0.719007 0.971968 0.154278 11.00000 -1.20000 AFIX 0 C12 1 0.840183 1.150313 0.201462 11.00000 0.04986 0.06424 = 0.07625 0.01514 0.00638 0.01020 AFIX 43 H12 2 0.709571 1.199820 0.189666 11.00000 -1.20000 AFIX 0 C13 1 1.025425 1.215152 0.240605 11.00000 0.05078 0.05552 = 0.05835 0.00895 0.01202 0.00099 C14 1 1.218070 1.141404 0.256651 11.00000 0.04789 0.06911 = 0.08082 -0.00029 0.00519 -0.01476 AFIX 43 H14 2 1.345316 1.183853 0.282606 11.00000 -1.20000 AFIX 0 C15 1 1.220548 1.002319 0.233589 11.00000 0.03910 0.06090 = 0.07004 -0.00030 0.00638 0.00548 AFIX 43 H15 2 1.350808 0.952274 0.244859 11.00000 -1.20000 AFIX 0 C16 1 1.193734 1.428663 0.283048 11.00000 0.09747 0.06107 = 0.11148 0.00405 0.01839 -0.01075 AFIX 137 H16A 2 1.277934 1.388420 0.334169 11.00000 -1.50000 H16B 2 1.153392 1.521280 0.297749 11.00000 -1.50000 H16C 2 1.281566 1.429701 0.231259 11.00000 -1.50000 AFIX 0 C17 1 0.639060 0.528218 0.088861 11.00000 0.06782 0.07151 = 0.05841 -0.02031 0.01115 -0.01114 AFIX 23 H17A 2 0.764869 0.466211 0.096364 11.00000 -1.20000 H17B 2 0.546265 0.512817 0.138970 11.00000 -1.20000 AFIX 0 HKLF 4 REM s86 REM wR2 = 0.1436, GooF = S = 0.893, Restrained GooF = 0.893 for all data REM R1 = 0.0440 for 959 Fo > 4sig(Fo) and 0.1245 for all 2177 data REM 215 parameters refined using 2 restraints END WGHT 0.0858 0.0000 REM Highest difference peak 0.204, deepest hole -0.195, 1-sigma level 0.057 Q1 1 0.9176 0.5974 0.3049 11.00000 0.05 0.20 Q2 1 0.9580 0.3393 0.1124 11.00000 0.05 0.18 Q3 1 0.7822 0.8415 0.2122 11.00000 0.05 0.18 Q4 1 1.1213 0.6562 0.2041 11.00000 0.05 0.18 Q5 1 0.9053 0.4948 0.1766 11.00000 0.05 0.18 ; _shelx_hkl_file ; 0 0 -19 1.20972 9.67772 1 0 0 -18 12.5861 8.78869 1 0 0 -17 1.05315 2.7043 1 0 0 -15 8.83931 6.37412 1 0 0 -14 90.2318 4.61635 1 0 0 -13 45.0688 3.30749 1 0 0 -12 374.729 17.3226 1 0 0 -11 225.976 9.61759 1 0 0 -10 38.497 2.39546 1 0 0 -9 10.7912 5.72712 1 0 0 -8 221.014 7.61934 1 0 0 -7 39.8569 1.89916 1 0 0 -6 629.901 14.4127 1 0 0 -5 346.665 10.091 1 0 0 -4 6354.89 35.6751 1 0 0 -3 209.711 6.25635 1 0 0 -2 1650.99 12.8779 1 0 0 -1 1689.71 9.09308 1 0 0 1 1704.27 9.14189 1 0 0 2 1644.18 12.8411 1 0 0 3 212.204 6.32643 1 0 0 4 6275.20 35.4612 1 0 0 5 334.515 9.92199 1 0 0 6 626.596 14.1694 1 0 0 7 37.2855 1.89398 1 0 0 8 209.923 10.2208 1 0 0 9 3.28429 5.4109 1 0 0 10 35.1177 2.35386 1 0 0 11 257.75 9.91108 1 0 0 12 383.981 17.5729 1 0 0 13 43.8804 3.26041 1 0 0 14 92.3034 4.24437 1 0 0 15 0.94404 7.55231 1 0 0 16 5.4361 2.51953 1 0 0 17 4.21259 9.18113 1 0 0 18 12.5861 8.32983 1 0 0 19 3.71732 6.43858 1 0 1 19 1.3478 10.7824 1 0 1 18 8.05113 8.05113 1 0 1 17 1.14664 9.17311 1 0 1 16 3.89019 6.59614 1 0 1 15 0.86182 6.89457 1 0 1 14 12.9904 7.35205 1 0 1 13 135.013 6.01072 1 0 1 12 45.8062 2.90112 1 0 1 11 91.1643 4.75649 1 0 1 10 25.6549 2.09813 1 0 1 9 128.73 6.42326 1 0 1 8 53.4626 2.78681 1 0 1 7 942.324 19.3099 1 0 1 6 409.699 11.9293 1 0 1 5 711.904 14.2347 1 0 1 4 3248.32 26.5442 1 0 1 3 5783.18 31.0974 1 0 1 2 84.1428 4.05994 1 0 1 1 2420.75 14.7501 1 0 1 0 3.28182 0.64767 1 0 1 -1 2746.04 15.6876 1 0 1 -2 95.5837 4.23769 1 0 1 -3 6445.04 32.7902 1 0 1 -4 3448.69 27.3186 1 0 1 -5 739.472 14.4537 1 0 1 -6 439.046 12.303 1 0 1 -7 939.11 19.2557 1 0 1 -8 50.8221 3.54869 1 0 1 -9 127.266 6.44804 1 0 1 -10 16.8529 2.19938 1 0 1 -11 91.1436 4.71254 1 0 1 -12 46.2135 3.06043 1 0 1 -13 115.623 6.16867 1 0 1 -14 12.1761 8.07674 1 0 1 -15 8.0093 6.35532 1 0 1 -16 6.80665 7.59452 1 0 1 -17 12.3114 2.81756 1 0 1 -18 1.25316 10.0253 1 0 1 -19 3.73439 8.88962 1 0 2 -19 10.0973 8.3722 1 0 2 -18 5.83797 8.96846 1 0 2 -17 8.07656 3.16261 1 0 2 -16 0.80228 6.41826 1 0 2 -15 0.86455 6.91644 1 0 2 -14 88.6028 4.17506 1 0 2 -13 26.1003 2.75057 1 0 2 -12 102.582 3.73293 1 0 2 -11 11.0947 2.20676 1 0 2 -10 237.207 9.00828 1 0 2 -9 68.0427 3.17386 1 0 2 -8 81.1534 4.20975 1 0 2 -7 97.1598 5.20642 1 0 2 -6 133.979 5.49023 1 0 2 -5 237.166 9.1154 1 0 2 -4 410.254 10.8607 1 0 2 -3 19.706 1.32846 1 0 2 -2 184.979 6.45234 1 0 2 -1 1406.83 15.1179 1 0 2 0 5532.04 28.772 1 0 2 1 1321.26 14.758 1 0 2 2 171.388 6.2948 1 0 2 3 23.9904 1.31144 1 0 2 4 387.917 10.4299 1 0 2 5 198.74 8.60075 1 0 2 6 129.474 5.34189 1 0 2 7 87.2832 4.03692 1 0 2 8 71.7434 4.24777 1 0 2 9 58.6802 2.75685 1 0 2 10 224.477 9.02122 1 0 2 11 18.2407 2.27495 1 0 2 12 88.6271 5.78903 1 0 2 13 16.6503 8.62921 1 0 2 14 88.32 4.52825 1 0 2 15 0.92259 7.38069 1 0 2 16 2.9721 6.64581 1 0 2 17 14.1386 3.03195 1 0 2 18 12.8475 9.41638 1 0 2 19 1.09338 8.74706 1 0 3 18 1.07932 8.63456 1 0 3 17 4.42824 6.45521 1 0 3 16 14.2923 7.63958 1 0 3 15 14.0854 8.45124 1 0 3 14 6.03077 8.21855 1 0 3 13 141.899 7.53395 1 0 3 12 37.9627 2.83198 1 0 3 11 16.4809 2.54789 1 0 3 10 38.5335 2.6946 1 0 3 9 56.5635 2.75259 1 0 3 8 63.9047 3.24676 1 0 3 7 77.7918 3.70638 1 0 3 6 57.4444 3.11573 1 0 3 5 147.327 5.64691 1 0 3 4 201.659 8.88708 1 0 3 3 558.029 12.8922 1 0 3 2 19.1034 1.34119 1 0 3 1 2394.99 24.0514 1 0 3 0 0.40315 3.2252 1 0 3 -1 2457.32 24.3145 1 0 3 -2 21.6536 1.34143 1 0 3 -3 634.121 13.5553 1 0 3 -4 232.649 9.31083 1 0 3 -5 182.766 8.85255 1 0 3 -6 63.652 2.59146 1 0 3 -7 87.5984 4.12923 1 0 3 -8 70.9823 3.04838 1 0 3 -9 75.6383 4.55581 1 0 3 -10 44.9282 2.64495 1 0 3 -11 25.5289 2.44293 1 0 3 -12 35.5876 2.91324 1 0 3 -13 139.744 7.13129 1 0 3 -14 10.4131 7.36317 1 0 3 -15 11.35 8.66867 1 0 3 -16 6.16982 2.70846 1 0 3 -17 10.0362 8.41907 1 0 3 -18 1.80924 3.06771 1 0 4 -18 8.73119 9.74183 1 0 4 -17 23.5698 3.52717 1 0 4 -16 10.7047 7.71925 1 0 4 -15 1.97683 7.78279 1 0 4 -14 35.0696 3.09739 1 0 4 -13 78.7529 3.92682 1 0 4 -12 176.882 9.59006 1 0 4 -11 2.81834 7.84594 1 0 4 -10 33.8236 2.69754 1 0 4 -9 45.6468 2.57478 1 0 4 -8 28.1309 2.27923 1 0 4 -7 17.2558 1.87837 1 0 4 -6 370.83 13.9382 1 0 4 -5 81.0146 4.11769 1 0 4 -4 469.025 14.0185 1 0 4 -3 35.1969 1.85697 1 0 4 -2 1231.43 20.5243 1 0 4 -1 360.964 11.3885 1 0 4 0 2815.75 30.0239 1 0 4 1 349.587 11.001 1 0 4 2 1161.62 19.9415 1 0 4 3 32.7058 1.72607 1 0 4 4 414.701 13.1904 1 0 4 5 72.2418 3.09273 1 0 4 6 329.33 13.0411 1 0 4 7 14.5844 1.90738 1 0 4 8 29.5616 2.11872 1 0 4 9 36.4104 2.58914 1 0 4 10 31.35 2.68382 1 0 4 11 7.05123 7.25969 1 0 4 12 164.184 7.76422 1 0 4 13 84.7809 3.95878 1 0 4 14 24.3827 3.16575 1 0 4 15 8.90189 7.85073 1 0 4 16 0.86775 6.94201 1 0 4 17 27.9254 3.49362 1 0 4 18 7.33236 3.68191 1 0 5 17 16.1967 3.49468 1 0 5 16 19.6914 3.32846 1 0 5 15 1.2308 9.8464 1 0 5 14 27.3094 3.3444 1 0 5 13 67.2952 3.90452 1 0 5 12 74.5807 3.8898 1 0 5 11 12.3021 2.71917 1 0 5 10 9.32577 2.48618 1 0 5 9 63.0319 3.16652 1 0 5 8 44.8809 2.85028 1 0 5 7 22.4382 2.30204 1 0 5 6 23.0005 2.10964 1 0 5 5 21.0155 2.06118 1 0 5 4 122.489 6.36674 1 0 5 3 69.2738 3.64006 1 0 5 2 18.2189 1.97314 1 0 5 1 577.648 16.5424 1 0 5 0 3.67251 4.06012 1 0 5 -1 555.697 16.0759 1 0 5 -2 26.2056 1.86799 1 0 5 -3 73.1115 3.66677 1 0 5 -4 132.473 6.39266 1 0 5 -5 24.3132 2.08703 1 0 5 -6 23.2519 2.13148 1 0 5 -7 25.25 2.27604 1 0 5 -8 49.8694 2.84573 1 0 5 -9 76.4234 3.43593 1 0 5 -10 0.73806 7.26905 1 0 5 -11 14.8985 2.74745 1 0 5 -12 77.4007 4.87993 1 0 5 -13 73.8361 4.00886 1 0 5 -14 24.2002 3.42566 1 0 5 -15 1.19253 9.54025 1 0 5 -16 16.9594 3.70447 1 0 5 -17 6.34899 9.7535 1 0 6 -17 1.33748 11.4274 1 0 6 -16 1.19866 9.58927 1 0 6 -15 1.04891 8.39131 1 0 6 -14 4.33437 8.25239 1 0 6 -13 1.08428 8.67426 1 0 6 -12 89.6728 5.56512 1 0 6 -11 52.4616 3.53588 1 0 6 -10 0.81827 6.54613 1 0 6 -9 19.7578 2.59756 1 0 6 -8 198.968 9.66126 1 0 6 -7 6.59834 7.52327 1 0 6 -6 64.5657 3.0636 1 0 6 -5 9.932 6.68688 1 0 6 -4 203.339 8.51867 1 0 6 -3 38.9955 2.45618 1 0 6 -2 215.298 8.34697 1 0 6 -1 207.204 8.12128 1 0 6 0 284.411 13.2479 1 0 6 1 208.501 8.25852 1 0 6 2 201.735 8.33003 1 0 6 3 31.7042 2.41756 1 0 6 4 189.856 8.4373 1 0 6 5 7.59992 6.89244 1 0 6 6 51.8318 2.91851 1 0 6 7 13.3725 2.45983 1 0 6 8 163.829 9.4478 1 0 6 9 14.3821 7.22086 1 0 6 10 6.50156 6.39917 1 0 6 11 45.3032 3.26582 1 0 6 12 88.3699 4.26864 1 0 6 13 1.00925 8.07398 1 0 6 14 8.67654 9.3298 1 0 6 15 3.4942 8.79354 1 0 6 16 1.15833 9.26663 1 0 6 17 0.43923 3.51382 1 0 7 16 1.09006 8.72048 1 0 7 15 2.49207 8.26525 1 0 7 14 1.24608 9.96867 1 0 7 13 12.0142 8.38935 1 0 7 12 2.04503 8.79599 1 0 7 11 5.74708 8.45948 1 0 7 10 29.9798 3.00661 1 0 7 9 10.9685 7.20886 1 0 7 8 13.5041 7.23694 1 0 7 7 82.3328 3.62697 1 0 7 6 8.44661 2.51951 1 0 7 5 2.54218 2.2643 1 0 7 4 12.3526 6.59818 1 0 7 3 73.1314 4.29807 1 0 7 2 54.2771 2.94212 1 0 7 1 56.4395 2.9407 1 0 7 0 0.66197 5.29575 1 0 7 -1 60.7723 2.76957 1 0 7 -2 61.6532 2.91467 1 0 7 -3 88.1103 4.25849 1 0 7 -4 16.5152 2.37279 1 0 7 -5 2.61134 6.90896 1 0 7 -6 8.90426 7.3452 1 0 7 -7 85.6659 4.61148 1 0 7 -8 7.6481 5.51512 1 0 7 -9 4.87391 7.17421 1 0 7 -10 33.5109 2.93267 1 0 7 -11 2.76655 7.98634 1 0 7 -12 14.7662 9.18201 1 0 7 -13 8.41139 7.86813 1 0 7 -14 14.602 7.36549 1 0 7 -15 1.03889 8.31112 1 0 7 -16 2.5606 7.89231 1 0 8 -15 6.4439 8.83543 1 0 8 -14 2.4268 8.58004 1 0 8 -13 1.14248 9.13986 1 0 8 -12 10.7623 7.7608 1 0 8 -11 23.2129 3.48078 1 0 8 -10 23.2364 3.21837 1 0 8 -9 20.0595 2.76907 1 0 8 -8 1.11221 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7 6 82.3511 3.83688 1 1 7 7 47.7991 3.54429 1 1 7 8 44.9504 3.21909 1 1 7 9 0.89992 9.3955 1 1 7 10 17.4666 3.06413 1 1 7 11 5.09736 6.52781 1 1 7 12 1.1924 9.53924 1 1 7 13 12.759 11.3054 1 1 7 14 13.4606 3.44229 1 1 7 15 1.33077 10.6461 1 1 6 16 11.9249 8.8883 1 1 6 15 4.94656 10.7808 1 1 6 14 10.3776 9.15221 1 1 6 13 21.4888 11.8676 1 1 6 12 22.8952 3.27923 1 1 6 11 44.9886 3.53516 1 1 6 10 104.906 4.62028 1 1 6 9 36.5861 3.18073 1 1 6 8 62.1259 3.55109 1 1 6 7 13.485 8.1851 1 1 6 6 21.9354 2.72441 1 1 6 5 37.1099 2.81335 1 1 6 4 48.9829 2.87747 1 1 6 3 19.1651 2.35563 1 1 6 2 47.998 2.71256 1 1 6 1 124.566 5.90051 1 1 6 0 191.386 8.4126 1 1 6 -1 584.654 19.1242 1 1 6 -2 452.582 16.6273 1 1 6 -3 46.8913 2.8102 1 1 6 -4 11.4175 2.38577 1 1 6 -5 39.4104 2.76253 1 1 6 -6 1.87743 2.25179 1 1 6 -7 1.38707 6.4316 1 1 6 -8 12.5709 6.48879 1 1 6 -9 44.6753 3.22404 1 1 6 -10 37.271 3.14101 1 1 6 -11 37.9321 3.45967 1 1 6 -12 63.995 3.89875 1 1 6 -13 35.9867 3.53808 1 1 6 -14 1.31013 10.4811 1 1 6 -15 10.8489 10.4393 1 1 6 -16 11.6286 9.22721 1 1 6 -17 1.19787 9.58298 1 1 5 -17 1.13725 9.098 1 1 5 -16 7.02148 3.25236 1 1 5 -15 0.98185 7.85479 1 1 5 -14 18.9221 9.97285 1 1 5 -13 0.97374 7.97043 1 1 5 -12 78.29 3.997 1 1 5 -11 51.8731 3.1346 1 1 5 -10 10.7189 7.72954 1 1 5 -9 29.6609 2.73648 1 1 5 -8 12.2368 6.75801 1 1 5 -7 52.6044 2.87829 1 1 5 -6 84.2679 4.87219 1 1 5 -5 282.678 12.9305 1 1 5 -4 80.7369 3.15481 1 1 5 -3 88.20 3.8541 1 1 5 -2 276.361 12.249 1 1 5 -1 445.158 15.0496 1 1 5 0 852.341 19.7807 1 1 5 1 917.354 20.8359 1 1 5 2 12.2654 1.87746 1 1 5 3 159.233 7.02714 1 1 5 4 59.5588 2.68391 1 1 5 5 66.3157 3.89536 1 1 5 6 82.0597 4.32471 1 1 5 7 79.1445 4.29171 1 1 5 8 29.4145 2.60847 1 1 5 9 9.51952 7.51046 1 1 5 10 36.0288 2.91226 1 1 5 11 20.3752 2.92318 1 1 5 12 22.7771 3.11759 1 1 5 13 16.1316 3.14207 1 1 5 14 16.0319 8.73519 1 1 5 15 4.05045 2.76699 1 1 5 16 1.32413 10.5931 1 1 5 17 7.49755 8.09828 1 1 4 18 1.18269 9.4615 1 1 4 17 7.17629 9.71675 1 1 4 16 11.0849 7.01073 1 1 4 15 11.2789 7.87587 1 1 4 14 30.7655 3.04452 1 1 4 13 45.0416 3.70963 1 1 4 12 49.4724 3.37181 1 1 4 11 39.8212 3.11231 1 1 4 10 33.989 2.87718 1 1 4 9 66.384 3.41431 1 1 4 8 30.5459 2.5622 1 1 4 7 13.5493 2.00133 1 1 4 6 178.038 7.46913 1 1 4 5 178.62 7.25081 1 1 4 4 7.03198 1.59154 1 1 4 3 202.289 9.87169 1 1 4 2 191.477 9.32298 1 1 4 1 338.52 11.6648 1 1 4 0 113.769 5.23844 1 1 4 -1 1110.84 20.1371 1 1 4 -2 98.7092 4.24999 1 1 4 -3 248.098 10.709 1 1 4 -4 572.396 15.6783 1 1 4 -5 194.27 7.17801 1 1 4 -6 33.2372 2.08129 1 1 4 -7 141.954 5.70139 1 1 4 -8 397.45 15.9483 1 1 4 -9 80.2562 4.51782 1 1 4 -10 65.3663 3.10188 1 1 4 -11 2.85937 6.23185 1 1 4 -12 15.0856 2.64219 1 1 4 -13 73.2393 4.36549 1 1 4 -14 1.06558 8.52468 1 1 4 -15 1.07854 8.62828 1 1 4 -16 4.44619 2.56701 1 1 4 -17 1.07891 8.63127 1 1 4 -18 0.15675 3.3288 1 1 3 -18 1.05012 8.40096 1 1 3 -17 0.90881 7.27046 1 1 3 -16 7.24797 7.24797 1 1 3 -15 15.2548 2.83533 1 1 3 -14 42.8059 3.38321 1 1 3 -13 0.80264 6.42113 1 1 3 -12 85.7363 4.06206 1 1 3 -11 243.798 10.5066 1 1 3 -10 10.3361 7.8572 1 1 3 -9 107.989 5.54627 1 1 3 -8 69.3126 3.90152 1 1 3 -7 410.796 14.6423 1 1 3 -6 151.218 6.36317 1 1 3 -5 123.984 5.29089 1 1 3 -4 129.321 5.32539 1 1 3 -3 529.739 13.1957 1 1 3 -2 277.354 9.59024 1 1 3 -1 776.671 15.0008 1 1 3 0 520.981 12.3145 1 1 3 1 7.71957 4.06324 1 1 3 2 206.624 8.53143 1 1 3 3 183.526 8.3682 1 1 3 4 6.52832 1.44878 1 1 3 5 315.244 11.9043 1 1 3 6 353.677 12.9295 1 1 3 7 127.85 6.28773 1 1 3 8 17.9484 2.05183 1 1 3 9 58.3045 3.27573 1 1 3 10 91.8464 5.16679 1 1 3 11 10.3527 8.70287 1 1 3 12 39.1381 3.06333 1 1 3 13 99.6898 5.31868 1 1 3 14 48.4383 3.59414 1 1 3 15 0.98019 8.02324 1 1 3 16 6.38166 7.36891 1 1 3 17 1.2547 10.0376 1 1 3 18 1.19377 9.55018 1 1 2 18 8.49524 7.95815 1 1 2 17 8.97045 9.24653 1 1 2 16 1.04922 8.39377 1 1 2 15 10.4436 7.65448 1 1 2 14 15.2264 2.7081 1 1 2 13 81.4298 4.19595 1 1 2 12 108.788 5.80084 1 1 2 11 71.948 3.78879 1 1 2 10 106.737 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8.63258 1 1 1 -8 304.313 12.6297 1 1 1 -7 4118.46 40.5235 1 1 1 -6 463.973 13.2021 1 1 1 -5 954.844 16.8686 1 1 1 -4 985.064 15.8504 1 1 1 -3 3554.00 26.9466 1 1 1 -2 445.113 9.38321 1 1 1 -1 1119.47 13.2233 1 1 1 0 4767.87 26.181 1 1 1 1 692.15 10.9787 1 1 1 2 1260.72 15.5174 1 1 1 3 990.039 15.1455 1 1 1 4 105.611 4.59108 1 1 1 5 405.201 11.5873 1 1 1 6 919.223 18.7053 1 1 1 7 649.413 17.2647 1 1 1 8 3.18197 4.61335 1 1 1 9 131.619 6.56853 1 1 1 10 63.5155 2.84362 1 1 1 11 25.5556 2.56124 1 1 1 12 276.87 10.9482 1 1 1 13 102.702 4.06969 1 1 1 14 8.93843 2.67087 1 1 1 15 0.9309 7.44716 1 1 1 16 9.13388 8.43019 1 1 1 17 4.55059 3.15961 1 1 1 18 7.1741 8.78644 1 1 0 19 14.1475 9.36324 1 1 0 18 11.3016 3.10507 1 1 0 17 3.29105 9.87315 1 1 0 16 1.23533 9.88266 1 1 0 15 6.4724 6.85723 1 1 0 14 44.5683 3.30618 1 1 0 13 25.1984 2.80402 1 1 0 12 102.167 4.96612 1 1 0 11 115.722 6.10508 1 1 0 10 5.65754 6.74174 1 1 0 9 797.925 21.5015 1 1 0 8 783.776 19.8873 1 1 0 7 136.949 6.35158 1 1 0 6 102.965 4.98361 1 1 0 5 5.48827 3.95005 1 1 0 4 294.779 9.18396 1 1 0 3 309.982 8.5484 1 1 0 2 1191.40 14.308 1 1 0 1 1454.41 14.2925 1 1 0 0 9555.64 33.9707 1 1 0 -1 493.688 8.41175 1 1 0 -2 1508.84 15.3913 1 1 0 -3 5630.70 32.53 1 1 0 -4 2356.83 23.5331 1 1 0 -5 527.18 12.5332 1 1 0 -6 648.166 15.2095 1 1 0 -7 843.799 18.5963 1 1 0 -8 565.368 16.3207 1 1 0 -9 50.7964 2.55896 1 1 0 -10 90.9953 5.03644 1 1 0 -11 0.69944 5.59555 1 1 0 -12 204.726 9.37993 1 1 0 -13 207.47 10.2636 1 1 0 -14 75.5351 3.81487 1 1 0 -15 1.09729 8.77831 1 1 0 -16 9.78375 7.05516 1 1 0 -17 0.91288 7.30306 1 1 0 -18 0.38879 3.11031 1 1 0 -19 1.33221 10.6577 1 2 0 -19 1.34473 10.7578 1 2 0 -18 1.11647 8.93179 1 2 0 -17 1.05698 7.39884 1 2 0 -16 2.07074 2.49335 1 2 0 -15 21.6212 2.94484 1 2 0 -14 0.89009 7.12072 1 2 0 -13 23.7018 2.66691 1 2 0 -12 11.6722 7.48993 1 2 0 -11 8.04314 2.31253 1 2 0 -10 168.528 8.12558 1 2 0 -9 3.07151 4.34377 1 2 0 -8 62.7611 2.94629 1 2 0 -7 352.761 12.9793 1 2 0 -6 145.434 5.99567 1 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2 1 0 703.949 13.8943 1 2 1 -1 117.624 4.88173 1 2 1 -2 89.589 4.37945 1 2 1 -3 462.868 11.9295 1 2 1 -4 0.30647 3.76592 1 2 1 -5 411.226 12.7253 1 2 1 -6 685.275 17.1368 1 2 1 -7 642.086 17.3917 1 2 1 -8 142.103 6.71607 1 2 1 -9 306.628 13.7171 1 2 1 -10 49.861 2.92347 1 2 1 -11 52.5391 2.98107 1 2 1 -12 10.3923 5.75501 1 2 1 -13 9.86078 5.92424 1 2 1 -14 54.4544 3.34181 1 2 1 -15 0.92988 7.43901 1 2 1 -16 0.97257 7.78052 1 2 1 -17 0.34474 2.75788 1 2 1 -18 10.3436 7.7097 1 2 1 -19 1.05091 8.40731 1 2 2 -18 4.66552 8.41088 1 2 2 -17 10.8004 6.83079 1 2 2 -16 9.97825 7.19542 1 2 2 -15 10.1184 8.67788 1 2 2 -14 3.38479 7.66264 1 2 2 -13 0.82387 6.59098 1 2 2 -12 25.2578 2.67104 1 2 2 -11 151.832 8.89792 1 2 2 -10 435.802 17.2765 1 2 2 -9 68.4202 3.39634 1 2 2 -8 16.6541 1.96313 1 2 2 -7 228.756 11.0869 1 2 2 -6 82.9582 5.11774 1 2 2 -5 252.437 10.5654 1 2 2 -4 215.61 9.63631 1 2 2 -3 731.369 15.7001 1 2 2 -2 229.578 9.07881 1 2 2 -1 646.741 14.1514 1 2 2 0 579.562 13.4699 1 2 2 1 49.7119 2.37465 1 2 2 2 798.825 16.6796 1 2 2 3 173.758 6.26175 1 2 2 4 489.413 14.23 1 2 2 5 588.611 16.2087 1 2 2 6 59.0494 2.49576 1 2 2 7 182.421 7.75352 1 2 2 8 9.97099 5.32603 1 2 2 9 137.078 7.68419 1 2 2 10 11.401 6.00885 1 2 2 11 17.5973 2.4656 1 2 2 12 0.78662 6.29294 1 2 2 13 36.3344 3.04113 1 2 2 14 0.8982 8.28097 1 2 2 15 1.15617 9.24933 1 2 2 16 1.00523 8.04181 1 2 2 17 6.84701 9.27089 1 2 2 18 1.18116 9.44929 1 2 3 17 1.60861 2.86193 1 2 3 16 1.01502 8.12013 1 2 3 15 1.1299 9.03916 1 2 3 14 31.782 3.52205 1 2 3 13 36.5882 3.27305 1 2 3 12 26.502 3.05095 1 2 3 11 23.4502 2.85233 1 2 3 10 8.53963 2.59193 1 2 3 9 2.08256 2.50877 1 2 3 8 196.288 9.10195 1 2 3 7 89.6886 4.30223 1 2 3 6 293.635 13.7791 1 2 3 5 161.459 7.39054 1 2 3 4 321.085 12.9547 1 2 3 3 173.842 7.02572 1 2 3 2 191.424 6.89656 1 2 3 1 152.287 6.27779 1 2 3 0 852.292 18.5093 1 2 3 -1 268.564 11.1129 1 2 3 -2 82.753 4.23994 1 2 3 -3 661.489 16.9238 1 2 3 -4 5.92601 1.82115 1 2 3 -5 269.642 11.7781 1 2 3 -6 48.281 2.65591 1 2 3 -7 59.1847 3.1421 1 2 3 -8 198.668 8.67171 1 2 3 -9 109.716 5.1125 1 2 3 -10 8.88172 6.5174 1 2 3 -11 36.0297 3.01247 1 2 3 -12 96.4993 5.19748 1 2 3 -13 37.4689 3.20157 1 2 3 -14 57.537 3.87796 1 2 3 -15 13.481 8.48822 1 2 3 -16 6.73113 9.114 1 2 3 -17 2.42271 8.03522 1 2 3 -18 1.30526 9.1368 1 2 4 -18 1.34852 10.5323 1 2 4 -17 5.02103 10.9431 1 2 4 -16 2.33253 8.24673 1 2 4 -15 12.9829 9.18027 1 2 4 -14 7.01634 10.1726 1 2 4 -13 9.27549 8.08619 1 2 4 -12 23.7986 2.94753 1 2 4 -11 56.1626 3.46965 1 2 4 -10 29.9161 2.91755 1 2 4 -9 114.045 6.44617 1 2 4 -8 76.8921 4.73519 1 2 4 -7 308.03 15.1871 1 2 4 -6 89.629 4.03025 1 2 4 -5 148.477 7.44845 1 2 4 -4 33.6893 2.35231 1 2 4 -3 133.777 6.72632 1 2 4 -2 824.351 19.9746 1 2 4 -1 92.4285 4.68809 1 2 4 0 171.95 7.13734 1 2 4 1 80.8687 4.56584 1 2 4 2 34.8781 2.34317 1 2 4 3 189.733 7.68949 1 2 4 4 9.37573 5.56101 1 2 4 5 3.69143 5.9429 1 2 4 6 104.866 6.02564 1 2 4 7 189.272 9.17819 1 2 4 8 83.3114 4.44138 1 2 4 9 14.8493 2.68062 1 2 4 10 42.0323 3.37445 1 2 4 11 23.3767 3.01825 1 2 4 12 16.3303 8.88912 1 2 4 13 29.5416 3.52935 1 2 4 14 8.47066 7.48707 1 2 4 15 4.56749 9.13499 1 2 4 16 1.21023 9.68185 1 2 4 17 1.3217 9.25191 1 2 5 16 10.2885 9.09382 1 2 5 15 1.15123 9.20981 1 2 5 14 13.3982 9.86082 1 2 5 13 8.3109 9.29187 1 2 5 12 5.7967 7.09948 1 2 5 11 66.3611 4.09344 1 2 5 10 60.3589 3.86521 1 2 5 9 56.9458 3.54397 1 2 5 8 40.2935 3.14578 1 2 5 7 9.46895 8.17241 1 2 5 6 56.6962 3.22428 1 2 5 5 33.0019 2.9244 1 2 5 4 4.51249 2.30205 1 2 5 3 83.5243 4.14637 1 2 5 2 92.4791 5.17132 1 2 5 1 146.621 7.42202 1 2 5 0 244.534 8.80627 1 2 5 -1 26.904 2.39234 1 2 5 -2 11.6966 2.06377 1 2 5 -3 65.9493 2.9767 1 2 5 -4 23.6327 2.42231 1 2 5 -5 4.39263 6.06477 1 2 5 -6 36.7615 2.67727 1 2 5 -7 100.223 4.88116 1 2 5 -8 112.40 5.49711 1 2 5 -9 7.79497 6.68523 1 2 5 -10 56.1091 3.39442 1 2 5 -11 4.08885 6.89066 1 2 5 -12 0.87945 7.81672 1 2 5 -13 38.7774 3.47103 1 2 5 -14 1.11541 8.9233 1 2 5 -15 0.91625 7.33002 1 2 5 -16 3.51918 8.8564 1 2 5 -17 1.25778 9.32797 1 2 6 -16 1.2097 9.67764 1 2 6 -15 17.3919 9.63122 1 2 6 -14 1.28584 10.2867 1 2 6 -13 1.03731 8.29851 1 2 6 -12 12.326 6.21747 1 2 6 -11 1.04045 8.3236 1 2 6 -10 25.3542 2.93168 1 2 6 -9 0.7802 7.1931 1 2 6 -8 18.2592 2.72652 1 2 6 -7 219.325 9.7694 1 2 6 -6 104.465 5.57493 1 2 6 -5 0.82498 6.59982 1 2 6 -4 105.044 6.19822 1 2 6 -3 120.12 5.92108 1 2 6 -2 112.833 6.25219 1 2 6 -1 136.792 7.44746 1 2 6 0 8.20341 2.3074 1 2 6 1 30.65 2.67583 1 2 6 2 66.8127 3.21971 1 2 6 3 92.4932 6.00719 1 2 6 4 43.3226 3.01016 1 2 6 5 34.9061 2.94135 1 2 6 6 10.236 8.10305 1 2 6 7 356.697 13.1069 1 2 6 8 108.428 5.37648 1 2 6 9 15.3095 3.00005 1 2 6 10 21.1253 2.99802 1 2 6 11 2.79197 8.37591 1 2 6 12 0.99497 8.50106 1 2 6 13 23.1447 3.50919 1 2 6 14 1.19014 9.5211 1 2 6 15 6.08215 9.34358 1 2 6 16 1.31922 10.5537 1 2 7 15 2.58798 10.6705 1 2 7 14 7.29933 11.9198 1 2 7 13 1.35593 10.8474 1 2 7 12 18.274 9.43259 1 2 7 11 1.01127 8.98837 1 2 7 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3.48639 1 2 8 2 1.05371 8.42966 1 2 8 3 22.7772 3.12163 1 2 8 4 44.3635 3.5084 1 2 8 5 64.3492 3.66487 1 2 8 6 15.8097 10.0911 1 2 8 7 0.99897 7.9918 1 2 8 8 0.9604 8.85446 1 2 8 9 6.30802 3.38993 1 2 8 10 1.24679 9.97431 1 2 8 11 16.8358 8.90864 1 2 8 12 3.55927 8.47277 1 2 8 13 15.5331 3.89099 1 2 9 12 12.9023 9.82613 1 2 9 11 4.90841 11.1119 1 2 9 10 2.33752 10.0541 1 2 9 9 1.22353 9.78821 1 2 9 8 10.6722 9.30381 1 2 9 7 15.3629 7.73247 1 2 9 6 1.20186 9.6149 1 2 9 5 2.86219 7.57264 1 2 9 4 10.1975 6.35552 1 2 9 3 15.3936 8.54252 1 2 9 2 16.122 3.21288 1 2 9 1 13.1863 7.91179 1 2 9 0 37.3724 3.41739 1 2 9 -1 16.6245 2.97524 1 2 9 -2 9.69473 7.42629 1 2 9 -3 8.93356 8.93356 1 2 9 -4 4.55427 7.675 1 2 9 -5 5.6032 7.92412 1 2 9 -6 7.69877 7.20154 1 2 9 -7 11.9546 7.71666 1 2 9 -8 15.5311 7.81715 1 2 9 -9 5.39953 9.47613 1 2 9 -10 15.813 9.31408 1 2 9 -11 1.69427 13.5542 1 2 9 -12 11.1947 7.76789 1 2 9 -13 1.24544 9.96349 1 2 10 -11 13.0002 7.58034 1 2 10 -10 4.98485 9.9697 1 2 10 -9 17.511 3.36999 1 2 10 -8 4.6142 8.31837 1 2 10 -7 7.80444 9.12602 1 2 10 -6 1.00266 8.02131 1 2 10 -5 9.48173 9.82663 1 2 10 -4 3.09274 7.78323 1 2 10 -3 0.93117 7.44939 1 2 10 -2 5.00991 9.12849 1 2 10 -1 0.99575 7.96601 1 2 10 0 2.98499 7.89753 1 2 10 1 11.9965 6.47885 1 2 10 2 2.01997 9.36621 1 2 10 3 0.8696 6.95679 1 2 10 4 9.42171 9.06604 1 2 10 5 8.58772 7.12056 1 2 10 6 1.26633 10.1307 1 2 10 7 7.99784 9.35216 1 2 10 8 1.09851 8.78809 1 2 10 9 16.0224 9.14038 1 2 10 10 1.48953 11.9163 1 2 11 8 1.4022 11.2176 1 2 11 7 16.527 10.862 1 2 11 6 8.64341 10.107 1 2 11 5 12.0337 10.4907 1 2 11 4 4.70895 9.84947 1 2 11 3 11.564 8.80688 1 2 11 2 4.56353 9.54531 1 2 11 1 1.25633 10.0507 1 2 11 0 14.6396 7.88286 1 2 11 -1 2.25372 7.96809 1 2 11 -2 1.133 9.06401 1 2 11 -3 3.43357 9.08437 1 2 11 -4 0.87107 6.96855 1 2 11 -5 4.73494 9.01505 1 2 11 -6 1.2018 9.61442 1 2 11 -7 1.25373 10.0298 1 2 11 -8 1.60251 3.36909 1 2 11 -9 1.4247 11.3976 1 2 12 -5 6.61825 10.1672 1 2 12 -4 15.6226 8.43719 1 2 12 -3 1.28529 9.53193 1 2 12 -2 14.0139 8.73407 1 2 12 -1 6.33988 8.119 1 2 12 0 15.2073 8.77991 1 2 12 1 11.4469 10.565 1 2 12 2 1.30163 10.413 1 2 12 3 1.46802 11.7442 1 2 12 4 2.63475 9.31526 1 3 11 -7 7.89651 11.6233 1 3 11 -6 3.85393 10.671 1 3 11 -5 10.0666 9.41644 1 3 11 -4 1.23725 3.35286 1 3 11 -3 2.44281 8.10189 1 3 11 -2 1.21092 8.98046 1 3 11 -1 1.37319 10.9856 1 3 11 0 1.45379 11.6303 1 3 11 1 15.751 9.91753 1 3 11 2 1.10199 8.81589 1 3 11 3 1.23884 8.12359 1 3 11 4 3.7811 10.4694 1 3 11 5 1.18226 9.4581 1 3 11 6 10.5525 10.8772 1 3 10 9 5.6082 3.37235 1 3 10 8 1.3205 10.564 1 3 10 7 1.40793 11.2634 1 3 10 6 1.33179 10.6543 1 3 10 5 13.9036 9.41278 1 3 10 4 1.32669 10.6135 1 3 10 3 5.54745 7.60627 1 3 10 2 1.09296 8.53628 1 3 10 1 6.49101 7.94983 1 3 10 0 1.18042 9.44336 1 3 10 -1 0.92203 7.37621 1 3 10 -2 1.12261 8.98089 1 3 10 -3 1.09187 7.15986 1 3 10 -4 1.31381 10.5105 1 3 10 -6 6.93729 9.39313 1 3 10 -7 1.37748 11.0199 1 3 10 -8 13.6346 3.69267 1 3 10 -9 7.60824 11.199 1 3 10 -10 7.89263 9.66646 1 3 9 -12 1.42882 11.4306 1 3 9 -11 16.2902 11.1377 1 3 9 -10 1.33306 10.6645 1 3 9 -9 10.3647 7.72538 1 3 9 -8 7.7596 8.65777 1 3 9 -7 1.07064 8.36197 1 3 9 -6 12.4569 9.168 1 3 9 -5 4.04345 8.45748 1 3 9 -4 29.6723 3.43961 1 3 9 -3 2.91837 9.07359 1 3 9 -2 6.73362 7.51304 1 3 9 -1 1.05609 8.44873 1 3 9 0 3.82743 5.5794 1 3 9 1 3.36901 2.94236 1 3 9 2 9.73884 9.73884 1 3 9 3 1.14166 9.13326 1 3 9 4 9.11621 10.3793 1 3 9 5 1.17777 9.42214 1 3 9 6 6.44115 9.10916 1 3 9 7 1.30371 10.4297 1 3 9 8 12.7088 10.1381 1 3 9 9 1.24105 9.92841 1 3 9 10 16.3491 8.80336 1 3 9 11 5.26434 10.5287 1 3 8 12 10.215 10.5294 1 3 8 11 1.35583 10.8466 1 3 8 10 1.15336 9.00807 1 3 8 9 1.28131 10.2504 1 3 8 8 5.24826 10.2307 1 3 8 7 24.8886 3.45618 1 3 8 6 1.17785 9.4228 1 3 8 5 41.4153 3.70576 1 3 8 4 35.1907 3.62268 1 3 8 3 30.2292 3.30608 1 3 8 2 17.3105 9.79229 1 3 8 1 16.2272 8.41153 1 3 8 0 13.5707 8.2233 1 3 8 -1 36.6739 3.27039 1 3 8 -2 33.281 3.62049 1 3 8 -3 43.2217 3.53785 1 3 8 -4 32.9298 3.66761 1 3 8 -5 32.0562 3.21958 1 3 8 -6 37.304 3.23597 1 3 8 -7 39.0825 3.46022 1 3 8 -8 29.8017 3.45237 1 3 8 -9 6.02347 2.93744 1 3 8 -10 8.23498 8.85499 1 3 8 -11 14.0412 7.08265 1 3 8 -12 1.20444 9.63548 1 3 8 -13 10.7602 8.02021 1 3 7 -15 1.24413 10.6299 1 3 7 -14 4.6985 8.94568 1 3 7 -13 16.6405 9.6074 1 3 7 -12 12.5839 6.79607 1 3 7 -11 6.94786 7.36096 1 3 7 -10 4.35302 2.82603 1 3 7 -9 44.0621 3.42873 1 3 7 -8 15.3547 8.61529 1 3 7 -7 29.8985 3.00809 1 3 7 -6 0.90434 7.23473 1 3 7 -5 1.0075 8.06003 1 3 7 -4 54.1612 3.40686 1 3 7 -3 72.4464 3.66683 1 3 7 -2 99.0703 4.63435 1 3 7 -1 159.493 6.57289 1 3 7 0 103.184 6.86474 1 3 7 1 293.208 11.984 1 3 7 2 1.04843 8.38747 1 3 7 3 65.1557 3.73284 1 3 7 4 11.4009 2.74373 1 3 7 5 12.5918 6.86077 1 3 7 6 11.4661 9.89614 1 3 7 7 1.00378 8.03026 1 3 7 8 3.59215 9.75519 1 3 7 9 10.3942 7.2581 1 3 7 10 17.8151 3.27011 1 3 7 11 13.6908 7.37198 1 3 7 12 1.37881 11.0305 1 3 7 13 1.39912 11.1929 1 3 6 14 12.9314 8.05939 1 3 6 13 6.62944 9.37545 1 3 6 12 1.05473 8.43782 1 3 6 11 4.88447 8.89993 1 3 6 10 1.09689 8.77509 1 3 6 9 5.63908 2.78175 1 3 6 8 5.74027 9.24136 1 3 6 7 49.4606 3.34786 1 3 6 6 32.0815 3.20136 1 3 6 5 47.8899 3.38999 1 3 6 4 133.138 9.16393 1 3 6 3 115.396 6.58728 1 3 6 2 25.5164 3.12366 1 3 6 1 0.9621 7.69677 1 3 6 0 16.7323 2.70826 1 3 6 -1 95.3782 3.83181 1 3 6 -2 26.2106 2.79 1 3 6 -3 45.2786 3.10209 1 3 6 -4 1.31083 7.91943 1 3 6 -5 193.733 10.1042 1 3 6 -6 268.12 11.8279 1 3 6 -7 119.686 5.55044 1 3 6 -8 33.1043 3.12758 1 3 6 -9 8.9837 7.44049 1 3 6 -10 1.18781 2.64282 1 3 6 -11 14.5386 3.08664 1 3 6 -12 7.77997 7.2775 1 3 6 -13 5.16911 8.33494 1 3 6 -14 9.89829 7.85422 1 3 6 -15 1.11399 8.91194 1 3 6 -16 3.73404 9.39712 1 3 5 -16 3.54653 9.38325 1 3 5 -15 13.2821 8.1336 1 3 5 -14 11.3947 7.54131 1 3 5 -13 13.5706 7.25379 1 3 5 -12 0.96915 7.75323 1 3 5 -11 0.76633 6.13062 1 3 5 -10 65.2006 3.7515 1 3 5 -9 91.4593 5.59117 1 3 5 -8 48.5736 3.22806 1 3 5 -7 8.68741 7.8787 1 3 5 -6 33.8926 3.01307 1 3 5 -5 0.79562 6.36495 1 3 5 -4 27.4506 2.73362 1 3 5 -3 62.2757 3.20701 1 3 5 -2 92.0307 4.8623 1 3 5 -1 6.59447 7.61464 1 3 5 0 49.753 3.46608 1 3 5 1 70.8365 3.51577 1 3 5 2 21.0101 2.66152 1 3 5 3 96.2411 4.8359 1 3 5 4 38.2243 3.17461 1 3 5 5 33.2342 3.28835 1 3 5 6 27.4097 3.24424 1 3 5 7 23.395 3.07865 1 3 5 8 7.12204 6.85319 1 3 5 9 1.06302 8.50419 1 3 5 10 22.3293 3.0379 1 3 5 11 14.3732 9.24069 1 3 5 12 0.98288 7.86304 1 3 5 13 14.2205 8.11248 1 3 5 14 8.18196 10.7763 1 3 5 15 4.99336 10.4444 1 3 4 16 1.20638 9.65107 1 3 4 15 9.55124 8.93437 1 3 4 14 1.22969 9.83753 1 3 4 13 9.34566 8.62566 1 3 4 12 10.6442 8.49117 1 3 4 11 10.8202 8.55411 1 3 4 10 19.0173 3.22646 1 3 4 9 60.4801 3.53562 1 3 4 8 31.321 3.18041 1 3 4 7 6.25953 2.69933 1 3 4 6 3.22173 7.204 1 3 4 5 76.7408 3.45358 1 3 4 4 15.5005 2.59443 1 3 4 3 11.5091 2.6468 1 3 4 2 10.1057 6.53585 1 3 4 1 10.8912 7.24227 1 3 4 0 338.829 14.9572 1 3 4 -1 4.09251 7.0142 1 3 4 -2 95.0912 4.0597 1 3 4 -3 95.7432 4.08074 1 3 4 -4 103.355 4.47171 1 3 4 -5 43.1102 2.91857 1 3 4 -6 63.8022 3.24563 1 3 4 -7 454.245 18.7932 1 3 4 -8 59.9249 3.39097 1 3 4 -9 1.45839 8.62793 1 3 4 -10 74.5242 3.75009 1 3 4 -11 9.4093 2.93107 1 3 4 -12 17.8322 3.08979 1 3 4 -13 13.4794 8.28247 1 3 4 -14 4.13293 7.86887 1 3 4 -15 1.07317 8.58539 1 3 4 -16 1.31165 10.4932 1 3 4 -17 1.23182 9.85454 1 3 3 -17 20.7606 3.60323 1 3 3 -16 17.1838 9.51597 1 3 3 -15 8.52365 6.56791 1 3 3 -14 1.10674 8.8539 1 3 3 -13 43.654 3.4958 1 3 3 -12 79.2153 3.95053 1 3 3 -11 12.0703 2.57995 1 3 3 -10 37.1949 3.17742 1 3 3 -9 144.952 6.98778 1 3 3 -8 25.1769 2.8181 1 3 3 -7 17.6401 2.56538 1 3 3 -6 14.0301 2.37373 1 3 3 -5 69.1337 2.97859 1 3 3 -4 246.046 9.15778 1 3 3 -3 163.783 7.63254 1 3 3 -2 208.55 8.17216 1 3 3 -1 520.763 16.9044 1 3 3 0 114.061 5.34362 1 3 3 1 365.673 14.2229 1 3 3 2 66.6703 3.10884 1 3 3 3 51.5976 2.87474 1 3 3 4 1.00311 8.02488 1 3 3 5 31.3895 2.83344 1 3 3 6 97.6965 6.11389 1 3 3 7 30.0873 3.00842 1 3 3 8 0.68607 7.91219 1 3 3 9 11.0766 7.56673 1 3 3 10 10.3422 7.83528 1 3 3 11 49.0796 3.52492 1 3 3 12 6.46639 6.85086 1 3 3 13 1.36801 10.944 1 3 3 14 1.18209 9.45669 1 3 3 15 1.22113 9.76906 1 3 3 16 6.18085 9.4952 1 3 2 17 1.32533 10.6026 1 3 2 16 1.3054 10.4432 1 3 2 15 5.6031 9.44251 1 3 2 14 10.2682 2.97248 1 3 2 13 56.3748 3.93663 1 3 2 12 2.73366 7.56917 1 3 2 11 27.0785 3.2424 1 3 2 10 23.1856 3.0528 1 3 2 9 13.6874 8.11836 1 3 2 8 149.883 7.2055 1 3 2 7 107.137 5.21621 1 3 2 6 24.0195 2.67288 1 3 2 5 211.597 9.06896 1 3 2 4 493.677 17.8992 1 3 2 3 24.0814 2.44722 1 3 2 2 252.45 8.82747 1 3 2 1 40.076 2.72262 1 3 2 0 587.165 17.0865 1 3 2 -1 229.032 11.2984 1 3 2 -2 661.696 17.8776 1 3 2 -3 359.644 14.2334 1 3 2 -4 75.0346 4.05334 1 3 2 -5 130.235 6.99444 1 3 2 -6 10.0679 5.68244 1 3 2 -7 40.266 2.68458 1 3 2 -8 76.5635 4.26099 1 3 2 -9 36.6962 2.82493 1 3 2 -10 100.153 5.53675 1 3 2 -11 10.0787 6.05515 1 3 2 -12 32.9125 3.11643 1 3 2 -13 65.6091 3.64549 1 3 2 -14 15.6683 8.53706 1 3 2 -15 15.8512 8.77802 1 3 2 -16 12.5281 10.376 1 3 2 -17 17.16 9.65127 1 3 2 -18 11.8513 9.40389 1 3 1 -18 1.1009 8.80722 1 3 1 -17 6.03614 9.27289 1 3 1 -16 1.16314 9.30516 1 3 1 -15 2.0756 8.92749 1 3 1 -14 5.76096 3.19353 1 3 1 -13 25.2851 3.01272 1 3 1 -12 0.86856 6.94851 1 3 1 -11 6.79719 6.27352 1 3 1 -10 21.6693 2.66672 1 3 1 -9 33.2067 2.81305 1 3 1 -8 68.253 3.58617 1 3 1 -7 64.2414 4.09139 1 3 1 -6 130.979 7.13426 1 3 1 -5 4.72049 5.97101 1 3 1 -4 79.1294 3.91514 1 3 1 -3 802.581 19.3423 1 3 1 -2 32.627 2.19953 1 3 1 -1 593.139 16.4773 1 3 1 0 277.025 11.831 1 3 1 1 86.9294 4.05796 1 3 1 2 260.984 12.6691 1 3 1 3 27.3655 2.36372 1 3 1 4 36.9791 2.48049 1 3 1 5 4.58176 5.78208 1 3 1 6 158.52 8.21899 1 3 1 7 68.559 3.27686 1 3 1 8 100.627 5.31429 1 3 1 9 55.8118 3.36994 1 3 1 10 61.4962 4.29475 1 3 1 11 100.015 5.98567 1 3 1 12 0.96534 7.72274 1 3 1 13 3.85997 8.07371 1 3 1 14 6.25791 9.21139 1 3 1 15 6.75415 9.55181 1 3 1 16 6.06499 10.644 1 3 1 17 13.0459 9.40752 1 3 0 17 1.39604 11.1684 1 3 0 16 1.20666 9.4243 1 3 0 15 7.83501 7.83501 1 3 0 14 5.18275 6.63715 1 3 0 13 31.9898 3.39091 1 3 0 12 0.8055 6.44399 1 3 0 11 8.1649 6.83124 1 3 0 10 19.4687 3.04327 1 3 0 9 27.3685 3.0572 1 3 0 8 11.4818 6.44226 1 3 0 7 95.9587 5.66905 1 3 0 6 261.709 9.9099 1 3 0 5 679.073 20.1651 1 3 0 4 5.59025 6.14504 1 3 0 3 1335.08 25.6316 1 3 0 2 46.5155 2.41536 1 3 0 1 91.0595 5.64453 1 3 0 0 357.14 13.0747 1 3 0 -1 384.157 13.4997 1 3 0 -2 796.958 18.7424 1 3 0 -3 86.0326 4.32857 1 3 0 -4 237.829 11.6747 1 3 0 -5 97.7121 4.73514 1 3 0 -6 173.824 7.58487 1 3 0 -7 7.54778 5.65441 1 3 0 -8 13.0057 2.2615 1 3 0 -9 8.88466 6.28241 1 3 0 -10 150.269 5.65735 1 3 0 -11 0.72479 5.79835 1 3 0 -12 16.2467 2.78825 1 3 0 -13 2.64218 7.31588 1 3 0 -14 0.90798 7.26386 1 3 0 -15 12.378 8.37992 1 3 0 -16 21.3053 3.40238 1 3 0 -17 1.01827 8.14618 1 3 0 -18 1.29246 9.04724 1 4 0 -17 1.3461 10.7688 1 4 0 -16 1.21141 8.47988 1 4 0 -15 1.02911 8.2329 1 4 0 -14 24.3985 3.4918 1 4 0 -13 10.7283 2.98257 1 4 0 -12 2.76085 7.96989 1 4 0 -11 9.34203 2.61045 1 4 0 -10 115.59 6.33324 1 4 0 -9 2.25418 7.69949 1 4 0 -8 699.477 24.2626 1 4 0 -7 268.602 11.1164 1 4 0 -6 26.7809 2.59408 1 4 0 -5 7.17757 6.5522 1 4 0 -4 64.9856 3.18685 1 4 0 -3 42.7829 2.80919 1 4 0 -2 7.06972 5.98207 1 4 0 -1 89.51 4.25025 1 4 0 0 31.9906 2.77616 1 4 0 1 275.898 10.0181 1 4 0 2 425.772 17.7059 1 4 0 3 4.08264 6.57271 1 4 0 4 872.904 25.2025 1 4 0 5 3.85497 8.76247 1 4 0 6 423.967 19.3561 1 4 0 7 3.16658 3.10919 1 4 0 8 127.211 6.26995 1 4 0 9 15.4795 3.01222 1 4 0 10 17.5686 3.15054 1 4 0 11 13.8537 3.11707 1 4 0 12 1.03129 8.25031 1 4 0 13 1.17061 9.36488 1 4 0 14 14.1459 3.59296 1 4 0 15 1.259 10.072 1 4 0 16 6.68122 10.7731 1 4 1 15 1.34095 10.7276 1 4 1 14 0.42354 3.38829 1 4 1 13 12.0462 9.22754 1 4 1 12 13.5421 3.20155 1 4 1 11 32.1924 3.49247 1 4 1 10 76.9216 4.17262 1 4 1 9 75.501 4.39606 1 4 1 8 77.7677 4.65035 1 4 1 7 14.6137 9.527 1 4 1 6 64.8009 3.66242 1 4 1 5 3.89816 7.11703 1 4 1 4 42.8244 3.26548 1 4 1 3 83.7974 3.67153 1 4 1 2 0.84001 6.72011 1 4 1 1 37.8486 2.906 1 4 1 0 231.359 9.50437 1 4 1 -1 118.669 5.18021 1 4 1 -2 100.183 5.74573 1 4 1 -3 145.864 6.60789 1 4 1 -4 201.124 9.12632 1 4 1 -5 15.8166 2.6916 1 4 1 -6 26.0524 2.65105 1 4 1 -7 117.207 6.87241 1 4 1 -8 10.6798 7.89634 1 4 1 -9 127.179 6.48036 1 4 1 -10 24.8872 2.8471 1 4 1 -11 22.3961 2.92123 1 4 1 -12 1.85345 8.28889 1 4 1 -13 11.9145 7.69075 1 4 1 -14 11.7032 7.74551 1 4 1 -15 1.02745 8.21964 1 4 1 -16 9.76399 8.63023 1 4 1 -17 14.3614 10.0283 1 4 2 -17 3.80619 3.52995 1 4 2 -16 11.1512 11.1512 1 4 2 -15 9.26881 7.68529 1 4 2 -14 1.08287 8.45747 1 4 2 -13 0.97987 7.83895 1 4 2 -12 11.5893 2.98703 1 4 2 -11 7.96605 7.0254 1 4 2 -10 57.5202 3.56768 1 4 2 -9 66.1508 3.73993 1 4 2 -8 225.218 10.9312 1 4 2 -7 17.3829 2.85391 1 4 2 -6 271.516 10.963 1 4 2 -5 6.89753 6.66562 1 4 2 -4 14.3261 2.71233 1 4 2 -3 144.989 6.72314 1 4 2 -2 38.3807 3.03434 1 4 2 -1 61.3586 3.15812 1 4 2 0 92.0168 4.51001 1 4 2 1 253.227 9.93314 1 4 2 2 42.1459 3.15664 1 4 2 3 59.87 3.49076 1 4 2 4 23.0404 2.96854 1 4 2 5 175.921 7.76612 1 4 2 6 121.716 7.32316 1 4 2 7 0.99333 7.94662 1 4 2 8 10.7591 8.06018 1 4 2 9 27.1472 3.23465 1 4 2 10 1.13713 9.09707 1 4 2 11 39.8976 3.58912 1 4 2 12 8.01165 7.88547 1 4 2 13 6.42983 8.70604 1 4 2 14 14.9033 8.02484 1 4 2 15 1.25397 10.0318 1 4 3 15 1.25525 10.2747 1 4 3 14 11.7643 7.97896 1 4 3 13 3.30574 9.54286 1 4 3 12 13.4165 9.84501 1 4 3 11 1.24432 9.95456 1 4 3 10 13.5975 9.01953 1 4 3 9 45.955 3.47644 1 4 3 8 31.6148 3.22952 1 4 3 7 75.8458 3.90782 1 4 3 6 38.4685 3.5309 1 4 3 5 90.3532 4.96407 1 4 3 4 10.3721 8.79338 1 4 3 3 80.7375 4.2931 1 4 3 2 54.3881 3.4068 1 4 3 1 48.9787 3.32927 1 4 3 0 14.0082 8.33653 1 4 3 -1 56.9984 3.30957 1 4 3 -2 39.7074 3.07828 1 4 3 -3 99.1156 5.48672 1 4 3 -4 87.3815 4.22248 1 4 3 -5 98.9625 4.52244 1 4 3 -6 2.66029 8.25332 1 4 3 -7 350.228 12.5753 1 4 3 -8 88.0042 4.07158 1 4 3 -9 66.4356 3.69813 1 4 3 -10 9.94849 8.85173 1 4 3 -11 8.82451 7.38312 1 4 3 -12 18.5799 3.13339 1 4 3 -13 16.0628 8.75203 1 4 3 -14 10.7182 8.16271 1 4 3 -15 6.86641 7.41657 1 4 3 -16 10.9927 8.19349 1 4 4 -16 13.8897 9.69901 1 4 4 -15 1.30104 10.4083 1 4 4 -14 16.7095 9.25328 1 4 4 -13 4.18582 8.75527 1 4 4 -12 15.8616 3.25085 1 4 4 -11 59.0194 3.69594 1 4 4 -10 19.5284 2.94966 1 4 4 -9 3.29892 2.75853 1 4 4 -8 42.6991 3.32356 1 4 4 -7 8.92532 7.51178 1 4 4 -6 81.68 3.75298 1 4 4 -5 63.3238 3.47444 1 4 4 -4 13.2356 9.35899 1 4 4 -3 65.7353 4.04702 1 4 4 -2 15.8759 8.54351 1 4 4 -1 41.2883 3.37807 1 4 4 0 2.52647 8.97697 1 4 4 1 1.91622 8.05421 1 4 4 2 40.4875 3.33802 1 4 4 3 19.441 9.82971 1 4 4 4 188.703 8.03737 1 4 4 5 18.8318 11.1269 1 4 4 6 119.047 5.68561 1 4 4 7 3.9967 8.71977 1 4 4 8 5.06718 8.52933 1 4 4 9 14.3149 8.10169 1 4 4 10 11.3971 9.01021 1 4 4 11 11.1071 7.35102 1 4 4 12 13.969 7.96899 1 4 4 13 2.2882 9.00864 1 4 4 14 6.09062 10.2641 1 4 5 14 1.26139 10.0911 1 4 5 13 2.39579 10.7143 1 4 5 12 1.18063 9.44507 1 4 5 11 12.7739 8.64799 1 4 5 10 1.21144 9.6915 1 4 5 9 10.4535 9.26258 1 4 5 8 7.20508 9.94784 1 4 5 7 10.2718 6.63039 1 4 5 6 0.99466 7.95728 1 4 5 5 47.4109 3.57439 1 4 5 4 73.2264 3.87616 1 4 5 3 78.7601 3.94408 1 4 5 2 9.24344 8.01294 1 4 5 1 19.7301 3.08903 1 4 5 0 20.7451 10.5779 1 4 5 -1 6.72984 2.83545 1 4 5 -2 38.6165 3.27833 1 4 5 -3 7.8012 7.73646 1 4 5 -4 8.70157 8.33111 1 4 5 -5 11.1997 7.86639 1 4 5 -6 1.5472 7.88918 1 4 5 -7 36.1659 3.35483 1 4 5 -8 131.423 5.9432 1 4 5 -9 1.11333 8.90661 1 4 5 -10 49.8578 4.07668 1 4 5 -11 4.93479 9.61968 1 4 5 -12 13.4513 2.98661 1 4 5 -13 1.28378 10.2702 1 4 5 -14 25.1147 4.06221 1 4 5 -15 3.74094 7.16336 1 4 6 -14 6.20326 10.0025 1 4 6 -13 9.39031 7.78603 1 4 6 -12 12.6447 3.79268 1 4 6 -11 1.11824 8.94595 1 4 6 -10 13.0253 9.23751 1 4 6 -9 1.15687 9.25498 1 4 6 -8 54.1737 3.82195 1 4 6 -7 14.6617 3.20869 1 4 6 -6 138.509 6.59688 1 4 6 -5 47.4949 3.36131 1 4 6 -4 23.782 3.14824 1 4 6 -3 7.80468 8.03541 1 4 6 -2 35.0568 3.47251 1 4 6 -1 2.29813 8.07076 1 4 6 0 8.43992 8.57829 1 4 6 1 7.2568 2.9744 1 4 6 2 6.2919 8.24876 1 4 6 3 105.70 5.83853 1 4 6 4 28.8694 3.41466 1 4 6 5 5.13912 8.12566 1 4 6 6 11.8005 3.11711 1 4 6 7 6.50907 9.70809 1 4 6 8 1.20562 9.64497 1 4 6 9 1.23412 9.87297 1 4 6 10 1.31371 10.5097 1 4 6 11 14.7902 9.31254 1 4 6 12 9.61559 9.46416 1 4 6 13 6.35344 10.707 1 4 7 12 12.7933 10.2347 1 4 7 11 6.07933 9.80262 1 4 7 10 4.62817 8.81177 1 4 7 9 1.48507 11.8805 1 4 7 8 10.5405 8.43243 1 4 7 7 35.9865 3.81949 1 4 7 6 1.25594 10.0475 1 4 7 5 5.62641 9.47066 1 4 7 4 1.24008 9.9206 1 4 7 3 14.1825 8.59401 1 4 7 2 15.6381 9.27607 1 4 7 1 16.2759 8.69381 1 4 7 0 33.785 3.49147 1 4 7 -1 40.5284 3.70879 1 4 7 -2 25.4861 3.51253 1 4 7 -3 5.17746 9.21336 1 4 7 -4 59.3844 3.68826 1 4 7 -5 15.2798 8.76051 1 4 7 -6 0.92486 8.52679 1 4 7 -7 5.73728 10.2096 1 4 7 -8 1.20313 9.62504 1 4 7 -9 12.1555 2.99941 1 4 7 -10 1.09813 8.78508 1 4 7 -11 7.64918 3.39964 1 4 7 -12 1.20839 9.66712 1 4 7 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9.49679 8.39406 1 4 9 -9 6.13885 13.0514 1 4 9 -10 3.82001 11.46 1 4 10 -7 3.79486 9.5502 1 4 10 -6 1.43156 11.4525 1 4 10 -5 2.42004 10.409 1 4 10 -4 5.95125 9.14248 1 4 10 -3 1.38636 11.0909 1 4 10 -2 1.33616 10.6893 1 4 10 -1 2.03382 3.40076 1 4 10 0 9.01548 3.42257 1 4 10 1 11.7768 9.85318 1 4 10 2 8.32572 9.73557 1 4 10 3 16.8892 10.3776 1 4 10 4 1.43243 11.4594 1 4 10 5 3.76788 9.96888 1 4 10 6 1.41315 11.3052 1 4 11 1 1.4845 11.876 1 4 11 0 1.36636 10.9308 1 4 11 -1 1.4124 11.2992 1 4 11 -2 6.5006 8.32483 1 5 9 -7 1.30286 10.4229 1 5 9 -6 13.899 11.5114 1 5 9 -5 22.31 12.144 1 5 9 -4 1.58547 12.6838 1 5 9 -3 13.2749 11.385 1 5 9 -2 8.38836 9.35932 1 5 9 -1 11.9517 10.4192 1 5 9 0 0.46353 3.70824 1 5 9 1 8.43196 11.4908 1 5 9 2 1.37775 11.022 1 5 9 3 13.8943 3.96611 1 5 9 4 1.63425 13.074 1 5 9 5 20.5789 11.2127 1 5 8 8 5.2015 11.7754 1 5 8 7 1.38731 11.0985 1 5 8 6 2.43573 10.0428 1 5 8 5 18.9459 11.8412 1 5 8 3 1.24186 9.9349 1 5 8 2 1.36447 10.9158 1 5 8 1 21.6138 3.71193 1 5 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6 1 8.35364 8.95107 1 5 6 0 0.39939 3.19509 1 5 6 -1 2.18128 3.09545 1 5 6 -2 10.1389 8.39722 1 5 6 -3 6.51371 8.27073 1 5 6 -4 0.94478 9.01266 1 5 6 -5 0.97192 7.77537 1 5 6 -6 1.1268 9.01443 1 5 6 -7 12.2377 8.65336 1 5 6 -8 5.93668 3.33489 1 5 6 -9 8.76979 8.63168 1 5 6 -10 1.14207 10.151 1 5 6 -11 1.19305 10.1934 1 5 6 -12 1.22916 9.8333 1 5 5 -13 8.70609 10.6264 1 5 5 -12 16.5568 9.31205 1 5 5 -11 1.12628 9.01026 1 5 5 -10 33.0532 4.13697 1 5 5 -9 17.4867 3.66844 1 5 5 -8 41.105 3.7946 1 5 5 -7 5.23353 3.43911 1 5 5 -6 3.68374 10.0039 1 5 5 -5 22.5022 3.63282 1 5 5 -4 18.1712 3.47195 1 5 5 -3 6.0292 10.1548 1 5 5 -2 26.5304 3.54501 1 5 5 -1 4.35114 3.14997 1 5 5 0 86.4978 4.70182 1 5 5 1 37.2543 3.68954 1 5 5 2 3.48832 11.031 1 5 5 3 1.78157 9.08424 1 5 5 4 35.7968 3.94358 1 5 5 5 13.9297 3.40504 1 5 5 6 4.89596 10.6817 1 5 5 7 15.2875 9.82849 1 5 5 8 11.708 9.69681 1 5 5 9 0.46765 3.74118 1 5 5 10 4.67934 9.35869 1 5 5 11 7.37976 8.52141 1 5 5 12 11.6518 12.8815 1 5 4 12 1.36984 10.9587 1 5 4 11 17.6327 9.33037 1 5 4 10 1.40069 11.2056 1 5 4 9 1.05938 10.4337 1 5 4 8 16.141 9.13521 1 5 4 7 21.433 3.73853 1 5 4 6 19.3829 10.4832 1 5 4 5 22.197 11.1251 1 5 4 4 12.443 3.63443 1 5 4 3 36.4762 3.90781 1 5 4 2 4.07409 8.66163 1 5 4 1 44.378 3.68751 1 5 4 0 0.96694 7.73554 1 5 4 -1 8.70559 9.66048 1 5 4 -2 41.2326 3.67616 1 5 4 -3 10.1811 9.23331 1 5 4 -4 35.1862 3.46872 1 5 4 -5 1.00066 8.00529 1 5 4 -6 26.5204 3.31129 1 5 4 -7 23.5456 3.15934 1 5 4 -8 25.6334 3.31845 1 5 4 -9 22.3914 3.35302 1 5 4 -10 21.4778 3.38407 1 5 4 -11 18.3936 3.57968 1 5 4 -12 10.9886 10.3083 1 5 4 -13 3.47659 9.62624 1 5 4 -14 1.04846 8.38771 1 5 3 -15 3.91246 3.34555 1 5 3 -14 1.18253 9.4602 1 5 3 -13 17.8806 3.61044 1 5 3 -12 1.10567 8.84536 1 5 3 -11 0.95356 7.62851 1 5 3 -10 7.48879 3.20948 1 5 3 -9 14.4841 8.77676 1 5 3 -8 85.702 4.18705 1 5 3 -7 7.46067 7.73206 1 5 3 -6 159.391 6.33629 1 5 3 -5 70.0859 3.76518 1 5 3 -4 9.04183 9.22828 1 5 3 -3 21.4337 3.25326 1 5 3 -2 14.6028 10.3257 1 5 3 -1 5.81392 8.5989 1 5 3 0 24.9651 3.16151 1 5 3 1 1.09335 8.7468 1 5 3 2 5.99871 7.64688 1 5 3 3 0.76846 8.86231 1 5 3 4 64.4856 4.30296 1 5 3 5 19.5157 3.51037 1 5 3 6 77.0566 4.2433 1 5 3 7 1.09134 8.73069 1 5 3 8 11.2842 7.63943 1 5 3 9 1.20605 9.64839 1 5 3 10 1.04436 10.2858 1 5 3 11 15.4514 8.6903 1 5 3 12 14.0117 9.90777 1 5 3 13 11.1249 8.82754 1 5 2 13 15.6888 10.7266 1 5 2 12 1.70711 3.48462 1 5 2 11 3.22154 8.92004 1 5 2 10 0.99833 7.98665 1 5 2 9 13.4353 9.20476 1 5 2 8 6.3692 7.77407 1 5 2 7 14.7061 8.16101 1 5 2 6 7.42731 9.37312 1 5 2 5 85.3801 4.67836 1 5 2 4 6.84951 9.22732 1 5 2 3 52.5014 3.73462 1 5 2 2 54.2091 3.79294 1 5 2 1 1.03471 8.27765 1 5 2 0 73.8703 3.77705 1 5 2 -1 16.6732 10.7625 1 5 2 -2 6.28332 8.80329 1 5 2 -3 12.0219 7.90637 1 5 2 -4 12.2702 8.06969 1 5 2 -5 1.03673 8.29381 1 5 2 -6 13.0432 7.93648 1 5 2 -7 157.193 7.72253 1 5 2 -8 15.008 10.0053 1 5 2 -9 1.08787 8.703 1 5 2 -10 6.44466 8.18305 1 5 2 -11 5.82931 7.13941 1 5 2 -12 11.3003 8.28233 1 5 2 -13 4.35168 8.28535 1 5 2 -14 12.3961 3.37424 1 5 2 -15 1.30608 10.4486 1 5 1 -15 13.2597 10.5776 1 5 1 -14 1.22092 9.76733 1 5 1 -13 9.63029 8.07857 1 5 1 -12 0.8741 6.99281 1 5 1 -11 6.67386 8.79 1 5 1 -10 13.5356 7.49565 1 5 1 -9 17.9821 9.2622 1 5 1 -8 134.829 6.02784 1 5 1 -7 0.9188 7.35041 1 5 1 -6 192.311 10.2327 1 5 1 -5 126.723 7.43344 1 5 1 -4 56.6434 3.50508 1 5 1 -3 71.8781 3.64371 1 5 1 -2 219.907 10.8384 1 5 1 -1 119.18 6.17022 1 5 1 0 132.777 7.54359 1 5 1 1 187.083 7.86337 1 5 1 2 58.6931 3.63699 1 5 1 3 17.9415 9.65511 1 5 1 4 279.00 12.2714 1 5 1 5 87.6836 4.21682 1 5 1 6 125.214 6.43015 1 5 1 7 4.33833 3.02077 1 5 1 8 39.6682 3.62439 1 5 1 9 15.4145 3.24602 1 5 1 10 9.9615 7.18334 1 5 1 11 1.24508 9.96061 1 5 1 12 1.17983 9.43866 1 5 1 13 1.2958 10.3664 1 5 1 14 1.20177 9.61412 1 5 0 14 8.79511 8.23906 1 5 0 13 14.0903 9.53921 1 5 0 12 1.10578 9.05117 1 5 0 11 7.2928 7.72641 1 5 0 10 1.20342 9.62735 1 5 0 9 12.9938 8.60712 1 5 0 8 8.78572 9.54373 1 5 0 7 120.412 5.8964 1 5 0 6 130.644 6.62685 1 5 0 5 58.6744 3.7137 1 5 0 4 193.708 8.93467 1 5 0 3 112.791 5.5235 1 5 0 2 390.197 18.6369 1 5 0 1 309.533 12.4074 1 5 0 0 1.1104 8.8832 1 5 0 -1 18.3335 2.87251 1 5 0 -2 62.207 3.6386 1 5 0 -3 107.92 5.09977 1 5 0 -4 88.4281 4.94714 1 5 0 -5 9.95278 7.24992 1 5 0 -6 8.83623 6.98566 1 5 0 -7 181.409 10.0672 1 5 0 -8 8.02886 6.9994 1 5 0 -9 109.894 6.06581 1 5 0 -10 4.44756 7.49516 1 5 0 -11 0.92542 7.40339 1 5 0 -12 1.00349 8.02792 1 5 0 -13 1.01398 8.11185 1 5 0 -14 3.36323 7.52041 1 5 0 -15 1.38009 11.0407 1 6 0 -13 8.47612 9.91143 1 6 0 -12 2.3055 10.3105 1 6 0 -11 8.79375 7.2914 1 6 0 -10 1.0505 8.59875 1 6 0 -9 21.1406 3.15848 1 6 0 -8 2.90367 8.38218 1 6 0 -7 14.0117 10.104 1 6 0 -6 17.2044 8.63789 1 6 0 -5 93.7122 4.36009 1 6 0 -4 1.01859 8.14874 1 6 0 -3 245.019 12.5036 1 6 0 -2 1.68617 8.08659 1 6 0 -1 159.178 8.59206 1 6 0 0 11.8127 3.15003 1 6 0 1 229.493 9.85533 1 6 0 2 7.79156 9.12102 1 6 0 3 14.154 8.84624 1 6 0 4 10.905 8.62119 1 6 0 5 15.0093 9.38081 1 6 0 6 1.32048 10.5638 1 6 0 7 1.20001 9.60005 1 6 0 8 1.18834 9.50675 1 6 0 9 1.39583 11.1666 1 6 0 10 20.5851 4.18144 1 6 0 11 7.31067 9.43804 1 6 1 11 18.3657 11.0194 1 6 1 10 10.4912 10.4912 1 6 1 9 13.3397 9.43256 1 6 1 8 1.18781 9.50248 1 6 1 7 1.24026 9.9221 1 6 1 6 9.78595 8.18751 1 6 1 5 24.9035 3.50718 1 6 1 4 30.3061 3.38675 1 6 1 3 7.12642 10.3118 1 6 1 2 19.9447 3.38212 1 6 1 1 19.4192 3.45829 1 6 1 0 46.6421 3.98246 1 6 1 -1 22.233 3.48894 1 6 1 -2 31.1051 3.40873 1 6 1 -3 41.7755 3.65455 1 6 1 -4 48.0606 3.71611 1 6 1 -5 17.6513 3.35807 1 6 1 -6 59.9363 4.0125 1 6 1 -7 42.6605 3.8568 1 6 1 -8 1.94787 9.64148 1 6 1 -9 8.10186 7.5786 1 6 1 -10 1.15882 9.27057 1 6 1 -11 3.31538 8.34352 1 6 1 -12 12.7444 9.76236 1 6 1 -13 1.23554 9.8843 1 6 2 -13 18.3557 3.99563 1 6 2 -12 1.28166 10.2533 1 6 2 -11 13.4736 11.9882 1 6 2 -10 2.14851 10.6346 1 6 2 -9 23.7037 3.5233 1 6 2 -8 5.45542 3.4937 1 6 2 -7 37.0121 3.64691 1 6 2 -6 12.0864 7.94354 1 6 2 -5 38.4072 4.03593 1 6 2 -4 1.32297 10.5837 1 6 2 -3 73.1717 5.48558 1 6 2 -2 8.78487 3.18238 1 6 2 -1 12.1143 8.0245 1 6 2 0 25.5073 3.53886 1 6 2 1 78.46 4.53406 1 6 2 2 1.15642 9.25134 1 6 2 3 8.18171 9.83319 1 6 2 4 29.0436 3.8065 1 6 2 5 1.22079 9.76636 1 6 2 6 17.9386 11.9591 1 6 2 7 1.41261 11.3008 1 6 2 8 5.40112 9.10213 1 6 2 9 3.38823 10.5344 1 6 2 10 7.09999 9.61343 1 6 2 11 1.3709 10.9672 1 6 3 10 0.51674 4.13394 1 6 3 9 1.33909 10.7127 1 6 3 8 18.0191 9.42243 1 6 3 7 5.40707 9.85215 1 6 3 6 11.4579 11.6457 1 6 3 5 39.0192 4.38919 1 6 3 4 15.6389 9.77429 1 6 3 3 1.27213 10.1771 1 6 3 2 1.86824 8.66266 1 6 3 1 1.18446 9.47568 1 6 3 0 37.7343 3.91107 1 6 3 -1 1.33953 10.7162 1 6 3 -2 1.17831 9.4265 1 6 3 -3 2.75695 9.41677 1 6 3 -4 24.3488 3.4931 1 6 3 -5 10.4541 8.9658 1 6 3 -6 7.79183 9.0323 1 6 3 -7 12.2846 3.73963 1 6 3 -8 1.20883 9.67061 1 6 3 -9 16.1388 8.93726 1 6 3 -10 16.8011 10.0806 1 6 3 -11 1.16911 10.3912 1 6 3 -12 1.16421 9.31368 1 6 4 -12 1.39542 11.1634 1 6 4 -11 1.20098 9.60786 1 6 4 -10 2.32348 8.21476 1 6 4 -9 2.23571 8.36525 1 6 4 -8 14.0261 3.48572 1 6 4 -7 35.2728 4.06037 1 6 4 -6 17.4074 3.75853 1 6 4 -5 39.5956 4.20377 1 6 4 -4 1.37314 10.9851 1 6 4 -3 39.9149 4.13688 1 6 4 -2 15.5054 3.20929 1 6 4 -1 69.7254 4.27023 1 6 4 0 15.2785 9.25815 1 6 4 1 30.9432 4.00957 1 6 4 2 9.76863 9.76863 1 6 4 3 13.9411 9.85781 1 6 4 4 4.20729 3.74102 1 6 4 5 5.24661 9.20777 1 6 4 6 10.8384 10.1673 1 6 4 7 5.61686 11.9416 1 6 4 8 1.47446 11.7957 1 6 4 9 8.52126 11.6125 1 6 4 10 1.36716 10.9373 1 6 5 9 16.5124 10.3969 1 6 5 8 4.88486 11.0586 1 6 5 7 2.35395 12.3442 1 6 5 6 18.2032 4.2426 1 6 5 5 7.72413 9.80765 1 6 5 4 3.2228 9.66841 1 6 5 3 32.558 3.94284 1 6 5 2 8.25167 10.5189 1 6 5 1 15.269 8.07958 1 6 5 0 7.06752 9.94386 1 6 5 -1 6.03962 10.1662 1 6 5 -2 1.16952 9.35615 1 6 5 -3 13.2144 8.32034 1 6 5 -4 7.2052 9.14874 1 6 5 -5 1.05561 8.44485 1 6 5 -6 5.35366 10.4362 1 6 5 -7 1.2816 10.2528 1 6 5 -8 3.39826 8.08948 1 6 5 -9 18.7428 9.80083 1 6 5 -10 1.25231 10.0185 1 6 5 -11 1.26325 10.7932 1 6 6 -10 10.2345 10.0733 1 6 6 -9 17.3076 8.74167 1 6 6 -8 1.37254 10.9803 1 6 6 -7 12.8126 10.9885 1 6 6 -6 10.229 9.44091 1 6 6 -5 1.3848 11.0784 1 6 6 -4 9.85975 9.10014 1 6 6 -3 5.41387 10.2149 1 6 6 -2 1.30314 10.4251 1 6 6 -1 13.9486 10.8895 1 6 6 0 9.68381 10.7059 1 6 6 1 1.14996 9.1997 1 6 6 2 1.27242 10.1794 1 6 6 3 1.20034 9.60274 1 6 6 4 1.14011 11.2288 1 6 6 5 1.40923 11.2739 1 6 6 6 0.52663 4.21306 1 6 6 7 6.20953 11.3143 1 6 7 6 1.5254 12.2032 1 6 7 5 17.4397 12.7037 1 6 7 4 6.08569 11.0887 1 6 7 3 14.3228 12.7438 1 6 7 2 1.37798 11.0238 1 6 7 1 1.36234 10.8987 1 6 7 0 16.1513 11.0656 1 6 7 -1 10.3563 11.4493 1 6 7 -2 1.48378 11.8702 1 6 7 -3 15.0845 8.60534 1 6 7 -4 15.8348 4.04731 1 6 7 -5 2.38136 11.0419 1 6 7 -6 12.5907 4.23389 1 6 7 -7 10.087 4.00182 1 6 7 -8 2.54861 10.0339 1 6 8 -5 20.4599 11.1478 1 6 8 -4 11.3513 10.9228 1 6 8 -3 9.99043 9.83309 1 6 8 -2 1.44753 11.5803 1 6 8 -1 13.6323 9.99155 1 6 8 0 12.4222 10.3931 1 6 8 1 8.75208 10.6825 1 6 8 2 10.107 12.5068 1 7 6 0 2.55011 13.0031 1 7 6 -1 16.5262 11.2991 1 7 6 -2 1.6759 13.4072 1 7 6 -3 1.23832 9.90658 1 7 5 -6 5.53247 3.98325 1 7 5 -5 18.6416 10.3233 1 7 5 -4 1.2261 11.6962 1 7 5 -3 7.28691 9.86652 1 7 5 -2 1.56925 12.554 1 7 5 -1 1.39883 11.1906 1 7 5 0 1.6576 13.2608 1 7 5 1 14.6346 10.7707 1 7 5 2 14.8039 12.0873 1 7 5 3 1.40938 11.2751 1 7 5 4 19.1549 12.3149 1 7 4 5 1.56715 12.5372 1 7 4 4 8.56971 11.287 1 7 4 3 1.4149 11.3192 1 7 4 2 4.72183 11.0737 1 7 4 1 13.5583 3.92005 1 7 4 0 13.887 11.3387 1 7 4 -1 9.94776 3.86043 1 7 4 -2 1.42156 11.3725 1 7 4 -3 1.3923 11.1384 1 7 4 -4 12.9024 10.2926 1 7 4 -5 1.30502 10.4401 1 7 4 -6 19.3873 10.1379 1 7 4 -7 1.41916 11.3532 1 7 4 -8 1.55626 12.4501 1 7 3 -9 11.0846 4.08043 1 7 3 -8 1.22969 10.9297 1 7 3 -7 1.322 10.576 1 7 3 -6 4.6813 10.5977 1 7 3 -5 1.21786 9.74292 1 7 3 -4 1.44207 11.5365 1 7 3 -3 19.031 10.9113 1 7 3 -2 2.22589 11.9868 1 7 3 -1 13.3388 10.5453 1 7 3 0 7.8082 10.986 1 7 3 1 7.87202 4.35999 1 7 3 2 14.805 13.7135 1 7 3 3 23.1656 12.475 1 7 3 4 1.31417 10.5133 1 7 3 5 1.73473 13.8778 1 7 3 6 16.2126 11.0847 1 7 2 7 13.8306 10.5945 1 7 2 6 9.74106 11.6791 1 7 2 5 1.55775 12.462 1 7 2 4 6.19803 4.07435 1 7 2 3 13.541 10.7051 1 7 2 2 1.29287 10.3429 1 7 2 1 21.8915 11.789 1 7 2 0 19.5379 11.2802 1 7 2 -1 13.384 3.76843 1 7 2 -2 1.36558 10.9246 1 7 2 -3 12.7511 8.63255 1 7 2 -4 10.7407 3.74003 1 7 2 -5 17.451 10.2315 1 7 2 -6 3.33701 7.94368 1 7 2 -7 6.83373 9.66436 1 7 2 -8 5.26736 3.89321 1 7 2 -9 30.1741 4.3308 1 7 2 -10 4.99243 11.3021 1 7 1 -10 1.23099 9.61433 1 7 1 -8 1.35989 10.8791 1 7 1 -7 7.85077 9.58244 1 7 1 -6 38.4562 4.29079 1 7 1 -5 1.37456 10.9965 1 7 1 -4 13.7341 8.64756 1 7 1 -3 7.05341 3.24713 1 7 1 -2 1.29157 10.3326 1 7 1 -1 5.18573 10.7283 1 7 1 0 2.08186 9.65319 1 7 1 1 1.09795 8.78357 1 7 1 2 5.31933 10.6917 1 7 1 3 6.49752 10.2735 1 7 1 4 1.39757 11.1806 1 7 1 5 1.26231 10.0985 1 7 1 6 3.5105 10.1339 1 7 1 7 21.7613 11.4692 1 7 0 8 3.73993 11.2198 1 7 0 7 1.29368 10.3494 1 7 0 6 2.32847 10.4132 1 7 0 5 1.32532 10.6025 1 7 0 4 1.25395 10.0316 1 7 0 3 1.27003 10.1602 1 7 0 2 9.5212 9.16178 1 7 0 1 14.614 8.9796 1 7 0 0 12.4196 8.78202 1 7 0 -1 13.4056 9.83699 1 7 0 -2 3.09753 10.5801 1 7 0 -3 21.9485 3.62947 1 7 0 -4 3.15159 9.09785 1 7 0 -5 4.2689 10.0115 1 7 0 -6 5.44466 9.1755 1 7 0 -7 1.18337 9.467 1 7 0 -8 9.17873 9.03418 1 7 0 -9 2.36784 9.32218 1 7 0 -10 17.153 10.5397 1 0 0 0 0.00 0.00 1 ; loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, 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 _atom_site_refinement_flags_occupancy _atom_site_disorder_assembly _atom_site_disorder_group O1 O 1.0955(5) 0.6239(4) 0.0462(2) 0.0737(10) Uani 1 1 d . . . . . O2 O 0.5436(4) 0.6809(3) 0.26247(18) 0.0562(8) Uani 1 1 d . . . . . O3 O 0.8850(4) 0.7300(3) 0.32798(15) 0.0470(7) Uani 1 1 d . . . . . O4 O 1.0024(6) 1.3511(4) 0.2627(3) 0.0834(11) Uani 1 1 d . . . . . O5 O 0.5175(6) 0.4999(4) 0.0060(3) 0.0825(11) Uani 1 1 d D . . . . H5O H 0.386(4) 0.520(9) -0.005(5) 0.124 Uiso 1 1 d D U . . . N1 N 0.8400(5) 0.7118(4) 0.1783(2) 0.0453(8) Uani 1 1 d . . . . . C1 C 1.0518(6) 0.7865(4) 0.1710(3) 0.0454(9) Uani 1 1 d . . . . . H1 H 1.170684 0.742274 0.209306 0.055 Uiso 1 1 calc R U . . . C2 C 1.0881(7) 0.7658(5) 0.0721(3) 0.0617(12) Uani 1 1 d . . . . . H2 H 1.174220 0.833775 0.040294 0.074 Uiso 1 1 calc R U . . . C3 C 0.8958(7) 0.7032(6) 0.0251(3) 0.0631(13) Uani 1 1 d . . . . . H3 H 0.852173 0.728652 -0.038120 0.076 Uiso 1 1 calc R U . . . C4 C 0.7210(7) 0.6772(5) 0.0911(2) 0.0525(11) Uani 1 1 d . . . . . H4 H 0.595957 0.740386 0.078668 0.063 Uiso 1 1 calc R U . . . C5 C 0.7387(6) 0.7058(4) 0.2575(2) 0.0430(9) Uani 1 1 d . . . . . C6 C 0.8162(7) 0.7445(5) 0.4208(2) 0.0542(11) Uani 1 1 d . . . . . C7 C 0.6751(11) 0.8712(7) 0.4258(4) 0.098(2) Uani 1 1 d . . . . . H7A H 0.748015 0.947657 0.399407 0.147 Uiso 1 1 calc R U . . . H7B H 0.652611 0.891178 0.488413 0.147 Uiso 1 1 calc R U . . . H7C H 0.534339 0.855684 0.392915 0.147 Uiso 1 1 calc R U . . . C8 C 0.6988(11) 0.6165(7) 0.4494(4) 0.095(2) Uani 1 1 d . . . . . H8A H 0.554585 0.611799 0.417677 0.142 Uiso 1 1 calc R U . . . H8B H 0.683596 0.619360 0.513913 0.142 Uiso 1 1 calc R U . . . H8C H 0.783320 0.536737 0.434955 0.142 Uiso 1 1 calc R U . . . C9 C 1.0359(8) 0.7616(8) 0.4745(3) 0.0879(19) Uani 1 1 d . . . . . H9A H 1.123476 0.679990 0.468595 0.132 Uiso 1 1 calc R U . . . H9B H 1.011915 0.776331 0.537546 0.132 Uiso 1 1 calc R U . . . H9C H 1.112638 0.839414 0.451570 0.132 Uiso 1 1 calc R U . . . C10 C 1.0365(7) 0.9373(4) 0.1948(3) 0.0455(10) Uani 1 1 d . . . . . C11 C 0.8468(7) 1.0142(5) 0.1799(3) 0.0547(11) Uani 1 1 d . . . . . H11 H 0.719007 0.971968 0.154278 0.066 Uiso 1 1 calc R U . . . C12 C 0.8402(8) 1.1503(5) 0.2015(3) 0.0634(13) Uani 1 1 d . . . . . H12 H 0.709571 1.199820 0.189666 0.076 Uiso 1 1 calc R U . . . C13 C 1.0254(7) 1.2152(5) 0.2406(3) 0.0545(11) Uani 1 1 d . . . . . C14 C 1.2181(8) 1.1414(6) 0.2567(3) 0.0659(13) Uani 1 1 d . . . . . H14 H 1.345316 1.183853 0.282606 0.079 Uiso 1 1 calc R U . . . C15 C 1.2205(7) 1.0023(5) 0.2336(3) 0.0566(11) Uani 1 1 d . . . . . H15 H 1.350808 0.952274 0.244859 0.068 Uiso 1 1 calc R U . . . C16 C 1.1937(11) 1.4287(6) 0.2830(5) 0.0895(18) Uani 1 1 d . . . . . H16A H 1.277934 1.388420 0.334169 0.134 Uiso 1 1 calc R U . . . H16B H 1.153392 1.521280 0.297749 0.134 Uiso 1 1 calc R U . . . H16C H 1.281566 1.429701 0.231259 0.134 Uiso 1 1 calc R U . . . C17 C 0.6391(8) 0.5282(5) 0.0889(3) 0.0656(13) Uani 1 1 d . . . . . H17A H 0.764869 0.466211 0.096364 0.079 Uiso 1 1 calc R U . . . H17B H 0.546265 0.512817 0.138970 0.079 Uiso 1 1 calc R U . . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 O1 0.059(2) 0.095(3) 0.070(2) -0.0210(18) 0.0203(16) 0.0050(19) O2 0.0343(14) 0.081(2) 0.0535(15) -0.0075(15) 0.0083(11) -0.0056(15) O3 0.0407(14) 0.0658(17) 0.0352(12) -0.0052(13) 0.0077(10) -0.0048(14) O4 0.074(2) 0.055(2) 0.123(3) -0.005(2) 0.020(2) -0.005(2) O5 0.0556(18) 0.114(3) 0.0762(19) -0.049(2) -0.0057(17) 0.003(2) N1 0.0389(16) 0.058(2) 0.0389(15) -0.0031(16) 0.0057(13) -0.0037(17) C1 0.0359(19) 0.054(2) 0.047(2) 0.0000(19) 0.0088(17) -0.0038(19) C2 0.063(3) 0.067(3) 0.058(3) 0.000(2) 0.022(2) -0.008(3) C3 0.061(3) 0.088(4) 0.041(2) 0.003(2) 0.0054(18) -0.002(3) C4 0.052(2) 0.063(3) 0.043(2) -0.0057(19) 0.0050(18) 0.007(2) C5 0.049(2) 0.037(2) 0.044(2) -0.0044(17) 0.0089(16) 0.005(2) C6 0.062(2) 0.068(3) 0.0343(18) -0.0049(18) 0.0099(17) 0.001(2) C7 0.120(5) 0.101(5) 0.074(3) -0.027(3) 0.011(3) 0.037(4) C8 0.105(5) 0.115(5) 0.065(3) 0.029(3) 0.022(3) -0.019(4) C9 0.074(3) 0.139(6) 0.050(3) -0.019(3) 0.001(2) -0.005(4) C10 0.039(2) 0.057(3) 0.042(2) 0.0080(18) 0.0085(17) -0.004(2) C11 0.040(2) 0.057(3) 0.066(3) 0.011(2) 0.0015(19) 0.000(2) C12 0.050(3) 0.064(3) 0.076(3) 0.015(2) 0.006(2) 0.010(2) C13 0.051(2) 0.056(3) 0.058(2) 0.009(2) 0.0120(19) 0.001(2) C14 0.048(3) 0.069(3) 0.081(3) 0.000(2) 0.005(2) -0.015(2) C15 0.039(2) 0.061(3) 0.070(3) 0.000(2) 0.006(2) 0.005(2) C16 0.097(5) 0.061(3) 0.111(5) 0.004(3) 0.018(4) -0.011(3) C17 0.068(3) 0.072(3) 0.058(3) -0.020(2) 0.011(2) -0.011(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' 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' loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 C2 O1 C3 60.2(3) . . C5 O3 C6 121.7(3) . . C13 O4 C16 118.3(4) . . C17 O5 H5O 124(5) . . C5 N1 C4 121.3(3) . . C5 N1 C1 122.0(3) . . C4 N1 C1 114.9(3) . . N1 C1 C2 101.2(3) . . N1 C1 C10 112.9(3) . . C2 C1 C10 111.8(3) . . N1 C1 H1 110.2 . . C2 C1 H1 110.2 . . C10 C1 H1 110.2 . . O1 C2 C3 60.4(3) . . O1 C2 C1 113.4(4) . . C3 C2 C1 110.5(3) . . O1 C2 H2 119.5 . . C3 C2 H2 119.5 . . C1 C2 H2 119.5 . . C2 C3 O1 59.3(3) . . C2 C3 C4 109.9(3) . . O1 C3 C4 112.8(4) . . C2 C3 H3 120.0 . . O1 C3 H3 120.0 . . C4 C3 H3 120.0 . . N1 C4 C3 101.7(3) . . N1 C4 C17 111.9(4) . . C3 C4 C17 112.7(4) . . N1 C4 H4 110.1 . . C3 C4 H4 110.1 . . C17 C4 H4 110.1 . . O2 C5 O3 125.6(3) . . O2 C5 N1 124.3(3) . . O3 C5 N1 110.1(3) . . O3 C6 C7 109.0(4) . . O3 C6 C9 101.5(3) . . C7 C6 C9 111.6(5) . . O3 C6 C8 110.7(4) . . C7 C6 C8 112.3(4) . . C9 C6 C8 111.1(4) . . C6 C7 H7A 109.5 . . C6 C7 H7B 109.5 . . H7A C7 H7B 109.5 . . C6 C7 H7C 109.5 . . H7A C7 H7C 109.5 . . H7B C7 H7C 109.5 . . C6 C8 H8A 109.5 . . C6 C8 H8B 109.5 . . H8A C8 H8B 109.5 . . C6 C8 H8C 109.5 . . H8A C8 H8C 109.5 . . H8B C8 H8C 109.5 . . C6 C9 H9A 109.5 . . C6 C9 H9B 109.5 . . H9A C9 H9B 109.5 . . C6 C9 H9C 109.5 . . H9A C9 H9C 109.5 . . H9B C9 H9C 109.5 . . C15 C10 C11 117.5(4) . . C15 C10 C1 118.8(4) . . C11 C10 C1 123.7(4) . . C12 C11 C10 121.9(5) . . C12 C11 H11 119.0 . . C10 C11 H11 119.0 . . C11 C12 C13 120.4(4) . . C11 C12 H12 119.8 . . C13 C12 H12 119.8 . . O4 C13 C14 124.2(5) . . O4 C13 C12 116.5(4) . . C14 C13 C12 119.3(5) . . C13 C14 C15 119.2(5) . . C13 C14 H14 120.4 . . C15 C14 H14 120.4 . . C10 C15 C14 121.7(4) . . C10 C15 H15 119.1 . . C14 C15 H15 119.1 . . O4 C16 H16A 109.5 . . O4 C16 H16B 109.5 . . H16A C16 H16B 109.5 . . O4 C16 H16C 109.5 . . H16A C16 H16C 109.5 . . H16B C16 H16C 109.5 . . O5 C17 C4 110.6(4) . . O5 C17 H17A 109.5 . . C4 C17 H17A 109.5 . . O5 C17 H17B 109.5 . . C4 C17 H17B 109.5 . . H17A C17 H17B 108.1 . . loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 O1 C2 1.430(6) . O1 C3 1.446(6) . O2 C5 1.211(4) . O3 C5 1.334(4) . O3 C6 1.463(4) . O4 C13 1.368(6) . O4 C16 1.395(7) . O5 C17 1.404(6) . O5 H5O 0.822(10) . N1 C5 1.356(5) . N1 C4 1.464(5) . N1 C1 1.482(5) . C1 C2 1.501(6) . C1 C10 1.509(6) . C1 H1 0.9800 . C2 C3 1.443(6) . C2 H2 0.9800 . C3 C4 1.507(6) . C3 H3 0.9800 . C4 C17 1.528(7) . C4 H4 0.9800 . C6 C7 1.501(7) . C6 C9 1.505(7) . C6 C8 1.506(8) . C7 H7A 0.9600 . C7 H7B 0.9600 . C7 H7C 0.9600 . C8 H8A 0.9600 . C8 H8B 0.9600 . C8 H8C 0.9600 . C9 H9A 0.9600 . C9 H9B 0.9600 . C9 H9C 0.9600 . C10 C15 1.367(6) . C10 C11 1.373(6) . C11 C12 1.359(7) . C11 H11 0.9300 . C12 C13 1.374(7) . C12 H12 0.9300 . C13 C14 1.373(7) . C14 C15 1.392(7) . C14 H14 0.9300 . C15 H15 0.9300 . C16 H16A 0.9600 . C16 H16B 0.9600 . C16 H16C 0.9600 . C17 H17A 0.9700 . C17 H17B 0.9700 . loop_ _geom_torsion_atom_site_label_1 _geom_torsion_atom_site_label_2 _geom_torsion_atom_site_label_3 _geom_torsion_atom_site_label_4 _geom_torsion _geom_torsion_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 C5 N1 C1 C2 -178.5(4) . . . . C4 N1 C1 C2 -13.8(4) . . . . C5 N1 C1 C10 -58.9(5) . . . . C4 N1 C1 C10 105.8(4) . . . . C3 O1 C2 C1 101.2(4) . . . . N1 C1 C2 O1 -57.5(4) . . . . C10 C1 C2 O1 -177.9(4) . . . . N1 C1 C2 C3 8.2(5) . . . . C10 C1 C2 C3 -112.2(4) . . . . C1 C2 C3 O1 -106.0(4) . . . . O1 C2 C3 C4 105.3(4) . . . . C1 C2 C3 C4 -0.7(6) . . . . C2 O1 C3 C4 -100.4(4) . . . . C5 N1 C4 C3 178.3(4) . . . . C1 N1 C4 C3 13.4(5) . . . . C5 N1 C4 C17 -61.1(5) . . . . C1 N1 C4 C17 134.0(4) . . . . C2 C3 C4 N1 -7.3(5) . . . . O1 C3 C4 N1 56.8(5) . . . . C2 C3 C4 C17 -127.3(5) . . . . O1 C3 C4 C17 -63.2(5) . . . . C6 O3 C5 O2 -7.1(6) . . . . C6 O3 C5 N1 173.3(3) . . . . C4 N1 C5 O2 -4.9(6) . . . . C1 N1 C5 O2 158.9(4) . . . . C4 N1 C5 O3 174.6(3) . . . . C1 N1 C5 O3 -21.6(5) . . . . C5 O3 C6 C7 -65.4(5) . . . . C5 O3 C6 C9 176.8(4) . . . . C5 O3 C6 C8 58.7(5) . . . . N1 C1 C10 C15 148.6(4) . . . . C2 C1 C10 C15 -98.1(4) . . . . N1 C1 C10 C11 -31.3(5) . . . . C2 C1 C10 C11 82.0(5) . . . . C15 C10 C11 C12 0.8(6) . . . . C1 C10 C11 C12 -179.3(4) . . . . C10 C11 C12 C13 -0.9(7) . . . . C16 O4 C13 C14 15.4(7) . . . . C16 O4 C13 C12 -165.8(5) . . . . C11 C12 C13 O4 -178.1(4) . . . . C11 C12 C13 C14 0.8(7) . . . . O4 C13 C14 C15 178.2(4) . . . . C12 C13 C14 C15 -0.6(7) . . . . C11 C10 C15 C14 -0.5(6) . . . . C1 C10 C15 C14 179.6(4) . . . . C13 C14 C15 C10 0.4(7) . . . . N1 C4 C17 O5 177.4(3) . . . . C3 C4 C17 O5 -68.6(5) . . . .