#------------------------------------------------------------------------------ #$Date: 2024-09-06 02:45:15 +0300 (Fri, 06 Sep 2024) $ #$Revision: 294465 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/57/21/1572139.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_1572139 loop_ _publ_author_name 'Zhang, Hao' 'Wen, Wei' 'Wang, Yu-Yang' 'Lu, Ze-Xi' 'Liu, Jin-Long' 'Wu, Zhu-Lian' 'Cai, Tian' 'Guo, Qi-Xiang' _publ_section_title ; Asymmetric bifunctionalization of allenes with aryl iodides and amino acids enabled by chiral aldehyde/palladium combined catalysis. ; _journal_issue 32 _journal_name_full 'Chemical science' _journal_page_first 12983 _journal_page_last 12988 _journal_paper_doi 10.1039/d4sc03398a _journal_volume 15 _journal_year 2024 _chemical_formula_sum 'C19 H19 N O2' _chemical_formula_weight 293.35 _space_group_crystal_system triclinic _space_group_IT_number 1 _space_group_name_Hall 'P 1' _space_group_name_H-M_alt 'P 1' _atom_sites_solution_hydrogens geom _audit_creation_method SHELXL-2014 _audit_update_record ; 2024-01-18 deposited with the CCDC. 2024-07-16 downloaded from the CCDC. ; _cell_angle_alpha 96.029(5) _cell_angle_beta 98.627(5) _cell_angle_gamma 92.934(5) _cell_formula_units_Z 2 _cell_length_a 5.9905(4) _cell_length_b 8.0684(5) _cell_length_c 16.5496(9) _cell_measurement_temperature 453(2) _cell_volume 784.65(8) _computing_structure_refinement 'SHELXL-2014 (Sheldrick, 2014)' _diffrn_ambient_temperature 453(2) _diffrn_measured_fraction_theta_full 0.999 _diffrn_measured_fraction_theta_max 0.976 _diffrn_radiation_type CuK\a _diffrn_radiation_wavelength 1.54184 _diffrn_reflns_av_R_equivalents 0.0752 _diffrn_reflns_av_unetI/netI 0.0546 _diffrn_reflns_Laue_measured_fraction_full 0.999 _diffrn_reflns_Laue_measured_fraction_max 0.976 _diffrn_reflns_limit_h_max 7 _diffrn_reflns_limit_h_min -7 _diffrn_reflns_limit_k_max 9 _diffrn_reflns_limit_k_min -7 _diffrn_reflns_limit_l_max 20 _diffrn_reflns_limit_l_min -20 _diffrn_reflns_number 14056 _diffrn_reflns_point_group_measured_fraction_full 0.793 _diffrn_reflns_point_group_measured_fraction_max 0.767 _diffrn_reflns_theta_full 67.684 _diffrn_reflns_theta_max 72.547 _diffrn_reflns_theta_min 5.443 _exptl_absorpt_coefficient_mu 0.638 _exptl_crystal_density_diffrn 1.242 _exptl_crystal_F_000 312 _exptl_crystal_size_max 0.410 _exptl_crystal_size_mid 0.390 _exptl_crystal_size_min 0.270 _refine_diff_density_max 0.474 _refine_diff_density_min -0.400 _refine_diff_density_rms 0.096 _refine_ls_abs_structure_details ; Flack x determined using 1453 quotients [(I+)-(I-)]/[(I+)+(I-)] (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259). ; _refine_ls_abs_structure_Flack -0.3(3) _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.070 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 399 _refine_ls_number_reflns 4770 _refine_ls_number_restraints 33 _refine_ls_restrained_S_all 1.079 _refine_ls_R_factor_all 0.0861 _refine_ls_R_factor_gt 0.0835 _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^)+(0.1612P)^2^+0.6616P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.2273 _refine_ls_wR_factor_ref 0.2314 _reflns_Friedel_coverage 0.571 _reflns_Friedel_fraction_full 0.587 _reflns_Friedel_fraction_max 0.558 _reflns_number_gt 4507 _reflns_number_total 4770 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file d4sc03398a2.cif _cod_data_source_block zh-a1409 _cod_depositor_comments 'Adding full bibliography for 1572139.cif.' _cod_database_code 1572139 _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 0.780 _shelx_estimated_absorpt_t_max 0.847 _shelxl_version_number 2014-1 _shelx_res_file ; TITL ZH-A1409 in P1 #1 REM reset to P1 #1 CELL 1.54184 5.990508 8.068353 16.549632 96.0286 98.6273 92.9344 ZERR 2 0.000386 0.00052 0.000897 0.0049 0.0049 0.0053 LATT -1 SFAC C H N O UNIT 38 38 2 4 ISOR 0.01 0.02 C14 ISOR 0.005 0.01 C1 O4 C29 ISOR 0.0025 0.005 O1 L.S. 40 PLAN 20 SIZE 0.41 0.39 0.27 TEMP 179.98(10) BOND fmap 2 acta REM REM REM WGHT 0.161200 0.661600 FVAR 9.15625 O1 4 0.764227 0.847526 0.686783 11.00000 0.03354 0.03486 = 0.04957 0.02912 0.00101 0.01558 O2 4 0.502281 0.816031 0.573453 11.00000 0.04610 0.01251 = 0.03395 0.01034 0.00810 0.01386 N1 3 0.585584 1.070338 0.637191 11.00000 0.02887 0.01861 = 0.02708 0.00874 -0.00496 0.01070 AFIX 43 H1 2 0.664431 1.151091 0.668448 11.00000 -1.20000 AFIX 0 C1 1 0.630840 0.910813 0.638240 11.00000 0.02740 0.01712 = 0.03169 0.01444 0.00804 0.01304 C2 1 0.380028 0.926676 0.522571 11.00000 0.04842 0.01292 = 0.02482 0.00398 0.00069 0.01260 AFIX 23 H2A 2 0.225011 0.882382 0.504227 11.00000 -1.20000 H2B 2 0.451577 0.940870 0.474682 11.00000 -1.20000 AFIX 0 C3 1 0.386730 1.093829 0.576997 11.00000 0.02415 0.01405 = 0.01875 0.00731 0.00343 0.01044 C4 1 0.181378 1.111061 0.618954 11.00000 0.03593 0.02712 = 0.03588 0.01666 0.01689 0.01284 AFIX 137 H4A 2 0.146111 1.008399 0.640309 11.00000 -1.50000 H4B 2 0.055322 1.135805 0.580028 11.00000 -1.50000 H4C 2 0.211806 1.199961 0.663270 11.00000 -1.50000 AFIX 0 C5 1 0.433767 1.247989 0.532263 11.00000 0.02390 0.01494 = 0.02425 0.01100 0.00614 0.00877 AFIX 23 H5A 2 0.462367 1.345813 0.572696 11.00000 -1.20000 H5B 2 0.570395 1.233164 0.508182 11.00000 -1.20000 AFIX 0 C6 1 0.245221 1.281008 0.465273 11.00000 0.02557 0.01241 = 0.02116 0.00829 0.00782 0.00716 C7 1 0.202242 1.151963 0.392361 11.00000 0.02429 0.01079 = 0.02107 0.00524 0.00700 0.00942 C8 1 0.359628 1.127024 0.339586 11.00000 0.02795 0.02257 = 0.02467 0.00791 0.01396 0.00948 AFIX 43 H8 2 0.493621 1.194474 0.348722 11.00000 -1.20000 AFIX 0 C9 1 0.320398 1.002756 0.273186 11.00000 0.04571 0.03300 = 0.03150 0.00814 0.01779 0.02481 AFIX 43 H9 2 0.427912 0.986956 0.238484 11.00000 -1.20000 AFIX 0 C10 1 0.118710 0.901777 0.258867 11.00000 0.05164 0.02673 = 0.02975 -0.00692 0.00044 0.01780 AFIX 43 H10 2 0.090325 0.818915 0.214401 11.00000 -1.20000 AFIX 0 C11 1 -0.037155 0.926274 0.311204 11.00000 0.03628 0.01956 = 0.04099 0.00471 -0.00322 0.00484 AFIX 43 H11 2 -0.170115 0.857727 0.302605 11.00000 -1.20000 AFIX 0 C12 1 0.000716 1.051113 0.376347 11.00000 0.02146 0.02296 = 0.02948 0.00703 0.00925 0.00852 AFIX 43 H12 2 -0.109207 1.068247 0.409943 11.00000 -1.20000 AFIX 0 C13 1 0.126102 1.415170 0.473694 11.00000 0.03614 0.01265 = 0.02082 0.00528 0.00568 0.01291 AFIX 43 H13 2 0.165939 1.485337 0.522616 11.00000 -1.20000 AFIX 0 C14 1 -0.062167 1.466192 0.414582 11.00000 0.03171 0.00775 = 0.02161 0.00578 0.00885 0.01007 C15 1 -0.070546 1.437664 0.329967 11.00000 0.02982 0.01868 = 0.02307 0.00651 0.01401 0.01359 AFIX 43 H15 2 0.046957 1.387123 0.308289 11.00000 -1.20000 AFIX 0 C16 1 -0.255282 1.484782 0.277333 11.00000 0.03963 0.01831 = 0.01868 0.00512 0.00806 0.01147 AFIX 43 H16 2 -0.261064 1.464339 0.220672 11.00000 -1.20000 AFIX 0 C17 1 -0.428517 1.561172 0.308811 11.00000 0.02933 0.01440 = 0.03502 0.00687 0.00599 0.00675 AFIX 43 H17 2 -0.552756 1.589970 0.273515 11.00000 -1.20000 AFIX 0 C18 1 -0.418111 1.594783 0.391991 11.00000 0.02699 0.01469 = 0.03831 0.00937 0.01871 0.01261 AFIX 43 H18 2 -0.534319 1.648286 0.413088 11.00000 -1.20000 AFIX 0 C19 1 -0.234841 1.549528 0.445384 11.00000 0.03537 0.01973 = 0.02140 0.00246 0.01341 0.01336 AFIX 43 H19 2 -0.227667 1.575053 0.501875 11.00000 -1.20000 AFIX 0 O3 4 0.690341 1.342292 0.759568 11.00000 0.03367 0.02465 = 0.05750 -0.00481 0.01118 -0.00707 O4 4 1.058810 1.354388 0.813943 11.00000 0.03237 0.00928 = 0.04201 0.01078 0.01083 0.00822 N2 3 0.916296 1.587521 0.778044 11.00000 0.01629 0.01163 = 0.03093 0.00575 0.00547 0.00817 AFIX 43 H2 2 0.813583 1.656282 0.767570 11.00000 -1.20000 AFIX 0 C20 1 0.873044 1.425539 0.781536 11.00000 0.02466 0.01579 = 0.02772 0.00089 0.01551 0.00653 C21 1 1.240805 1.486784 0.838731 11.00000 0.02495 0.01312 = 0.02671 0.00640 0.00457 0.00958 AFIX 23 H21A 2 1.381133 1.451300 0.822182 11.00000 -1.20000 H21B 2 1.265019 1.516384 0.897875 11.00000 -1.20000 AFIX 0 C22 1 1.158535 1.635144 0.794064 11.00000 0.01713 0.00995 = 0.02651 0.00861 0.00707 0.00434 C23 1 1.250571 1.633864 0.713102 11.00000 0.03489 0.02828 = 0.02853 0.00834 0.01821 0.01372 AFIX 137 H23A 2 1.224384 1.524001 0.683519 11.00000 -1.50000 H23B 2 1.410139 1.664328 0.724047 11.00000 -1.50000 H23C 2 1.175215 1.712457 0.680697 11.00000 -1.50000 AFIX 0 C24 1 1.212188 1.809045 0.844137 11.00000 0.02105 0.01252 = 0.02650 0.00505 0.01071 0.00487 AFIX 23 H24A 2 1.371196 1.818192 0.867794 11.00000 -1.20000 H24B 2 1.190293 1.892708 0.806179 11.00000 -1.20000 AFIX 0 C25 1 1.077898 1.851845 0.912242 11.00000 0.02077 0.00948 = 0.01767 0.00569 0.00938 0.00063 C26 1 1.102369 1.747134 0.980542 11.00000 0.01948 0.00831 = 0.02028 0.00446 0.00959 0.00868 C27 1 1.314541 1.743605 1.030917 11.00000 0.01847 0.01631 = 0.02232 0.00499 0.00401 0.00887 AFIX 43 H27 2 1.436295 1.813732 1.023655 11.00000 -1.20000 AFIX 0 C28 1 1.341153 1.636173 1.090868 11.00000 0.03573 0.02514 = 0.01878 0.00437 0.00837 0.02126 AFIX 43 H28 2 1.480318 1.635870 1.124417 11.00000 -1.20000 AFIX 0 C29 1 1.162339 1.528801 1.101490 11.00000 0.04245 0.01945 = 0.02912 0.01333 0.01233 0.01841 AFIX 43 H29 2 1.182334 1.455711 1.141453 11.00000 -1.20000 AFIX 0 C30 1 0.953257 1.530614 1.052324 11.00000 0.03918 0.01257 = 0.03041 0.00989 0.01832 0.00399 AFIX 43 H30 2 0.832911 1.458754 1.059239 11.00000 -1.20000 AFIX 0 C31 1 0.924666 1.640152 0.992810 11.00000 0.02603 0.01423 = 0.02746 0.00624 0.00943 0.00451 AFIX 43 H31 2 0.783791 1.641874 0.960558 11.00000 -1.20000 AFIX 0 C32 1 0.943360 1.980279 0.908043 11.00000 0.02994 0.01500 = 0.02222 0.00353 0.00977 0.00551 AFIX 43 H32 2 0.932244 2.031049 0.859811 11.00000 -1.20000 AFIX 0 C33 1 0.812138 2.050254 0.969879 11.00000 0.02763 0.00874 = 0.02182 0.00276 0.00961 0.00406 C34 1 0.872400 2.048719 1.054956 11.00000 0.01949 0.01549 = 0.02676 0.00371 0.00539 0.00956 AFIX 43 H34 2 1.005797 2.002314 1.074866 11.00000 -1.20000 AFIX 0 C35 1 0.739455 2.114073 1.109926 11.00000 0.03379 0.02121 = 0.02402 0.00611 0.00796 0.00945 AFIX 43 H35 2 0.783110 2.110557 1.166035 11.00000 -1.20000 AFIX 0 C36 1 0.540625 2.185089 1.081694 11.00000 0.03474 0.00753 = 0.04374 0.00292 0.01977 0.00711 AFIX 43 H36 2 0.448853 2.227707 1.118388 11.00000 -1.20000 AFIX 0 C37 1 0.480861 2.191509 0.997784 11.00000 0.02290 0.00880 = 0.04928 0.00497 0.00765 0.00717 AFIX 43 H37 2 0.348487 2.239676 0.978312 11.00000 -1.20000 AFIX 0 C38 1 0.613625 2.128144 0.943511 11.00000 0.03280 0.01130 = 0.02802 0.00458 0.00139 0.00547 AFIX 43 H38 2 0.571893 2.136645 0.887742 11.00000 -1.20000 AFIX 0 HKLF 4 REM ZH-A1409 in P1 #1 REM R1 = 0.0835 for 4507 Fo > 4sig(Fo) and 0.0861 for all 4770 data REM 399 parameters refined using 33 restraints END WGHT 0.1612 0.6616 REM Highest difference peak 0.474, deepest hole -0.400, 1-sigma level 0.096 Q1 1 0.4231 0.9606 0.5822 11.00000 0.05 0.43 Q2 1 1.0510 1.5962 0.9401 11.00000 0.05 0.42 Q3 1 1.1255 1.6367 1.0396 11.00000 0.05 0.40 Q4 1 -0.5543 1.6666 0.4372 11.00000 0.05 0.39 Q5 1 1.0434 1.4621 0.7721 11.00000 0.05 0.38 Q6 1 1.0865 1.9572 0.8599 11.00000 0.05 0.38 Q7 1 0.1179 1.3122 0.5188 11.00000 0.05 0.38 Q8 1 0.6753 1.0250 0.5808 11.00000 0.05 0.38 Q9 1 0.9580 1.3832 0.8765 11.00000 0.05 0.37 Q10 1 0.4850 1.0805 0.5182 11.00000 0.05 0.36 Q11 1 0.2711 1.3916 0.4254 11.00000 0.05 0.36 Q12 1 0.8454 1.6015 0.8378 11.00000 0.05 0.35 Q13 1 1.2225 1.7416 0.9263 11.00000 0.05 0.34 Q14 1 0.3150 1.0203 0.3846 11.00000 0.05 0.34 Q15 1 1.0225 1.3264 0.7455 11.00000 0.05 0.33 Q16 1 0.6196 0.9979 0.5759 11.00000 0.05 0.33 Q17 1 1.0822 1.7188 0.9218 11.00000 0.05 0.33 Q18 1 0.9318 1.8935 0.9585 11.00000 0.05 0.33 Q19 1 0.5436 0.7375 0.6384 11.00000 0.05 0.33 Q20 1 1.2316 1.3475 0.7779 11.00000 0.05 0.32 ; _shelx_res_checksum 33567 _shelx_hkl_file ; 0 0 2 54093.9 537.040 4 0 0 -2 54967.7 562.653 1 0 0 2 60899.2 424.155 41 0 0 2 61952.8 678.560 37 0 0 -2 58451.8 620.168 36 0 0 2 64016.3 527.552 40 0 0 2 58711.5 534.143 39 0 0 3 112255. 953.410 4 0 0 -3 103195. 956.200 1 0 0 -3 100880. 594.642 10 0 0 3 115210. 876.653 40 0 0 -3 117081. 1095.78 36 0 0 -3 93982.0 649.158 42 0 0 3 117070. 1156.48 37 0 0 3 120925. 754.703 41 0 0 3 109017. 909.541 39 0 0 4 126123. 1143.95 4 0 0 -4 124322. 759.601 10 0 0 -4 131216. 1329.12 1 0 0 -4 123730. 623.027 49 0 0 -4 136361. 1442.00 36 0 0 -4 127912. 857.347 42 0 0 4 138554. 1172.05 40 0 0 4 138102. 1531.35 37 0 0 4 132545. 966.184 41 0 0 -5 3374.54 141.368 10 0 0 5 3282.29 211.185 4 0 0 5 3293.49 249.009 6 0 0 -5 2908.54 228.857 1 0 0 -5 3435.62 168.189 3 0 0 -5 3151.27 114.560 49 0 0 -5 3505.92 165.338 42 0 0 5 3138.82 174.145 41 0 0 5 3014.08 198.711 40 0 0 5 2882.71 270.082 37 0 0 -5 2782.46 242.008 36 0 0 6 51894.9 925.723 5 0 0 6 47423.0 895.999 4 0 0 6 49738.0 1062.56 6 0 0 -6 58239.3 671.598 13 0 0 -6 55792.5 640.515 10 0 0 -6 46355.3 1048.72 1 0 0 -6 52614.4 732.741 3 0 0 -6 50815.3 525.931 49 0 0 -6 56631.6 790.665 50 0 0 6 64137.3 1332.86 47 0 0 6 47678.0 761.038 41 0 0 -6 61841.9 752.920 42 0 0 6 45936.1 880.544 40 0 0 -6 45369.5 1080.69 36 0 0 6 43195.9 1127.22 37 0 0 -7 18141.3 416.001 13 0 0 7 16155.4 578.494 4 0 0 -7 16932.9 454.736 3 0 0 -7 15620.2 701.808 1 0 0 7 15501.2 554.037 5 0 0 7 15138.8 635.131 6 0 0 7 18380.8 797.710 47 0 0 -7 15814.3 325.234 49 0 0 -7 16619.0 465.797 50 0 0 7 14636.7 550.908 40 0 0 -7 19813.5 486.537 42 0 0 7 13880.4 727.607 37 0 0 7 15092.1 491.889 41 0 0 -7 14348.4 675.918 36 0 0 8 3156.01 316.981 6 0 0 -8 3325.81 371.754 1 0 0 -8 3675.42 235.900 3 0 0 -8 3853.40 228.550 13 0 0 8 2958.31 263.568 5 0 0 8 3516.96 302.225 4 0 0 -8 3197.59 231.526 50 0 0 8 3688.80 397.621 47 0 0 8 2254.87 365.718 37 0 0 -8 4058.65 248.601 42 0 0 8 3043.25 257.703 41 0 0 8 3284.28 300.561 40 0 0 -8 2874.76 352.602 36 0 0 9 1380.84 201.175 5 0 0 9 1760.76 238.701 4 0 0 -9 2005.49 193.976 3 0 0 -9 1440.58 288.651 1 0 0 -9 1946.21 180.788 13 0 0 9 1436.51 238.486 6 0 0 -9 1599.34 181.500 50 0 0 9 1803.17 314.691 47 0 0 9 1351.41 192.826 41 0 0 9 1361.67 219.203 40 0 0 -9 2132.42 217.680 42 0 0 9 746.134 257.404 37 0 0 -9 1523.57 285.952 36 0 0 10 6477.33 533.081 6 0 0 -10 9185.63 455.477 3 0 0 10 7230.94 532.482 4 0 0 -10 7894.89 712.388 1 0 0 -10 8576.93 393.868 13 0 0 10 7995.91 714.723 47 0 0 -10 7529.50 446.489 50 0 0 10 4400.26 645.238 37 0 0 10 5678.93 482.297 40 0 0 -10 7901.06 707.691 36 0 0 -11 1940.53 395.818 1 0 0 -11 2290.68 252.998 3 0 0 11 1602.36 279.974 4 0 0 -11 1621.56 215.794 50 0 0 11 691.724 315.720 37 0 0 11 1148.05 241.946 40 0 0 -11 1870.32 388.260 36 0 0 12 308.196 149.059 4 0 0 -12 606.459 285.238 1 0 0 -12 349.109 111.711 3 0 0 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5 8026.29 902.036 33 0 6 5 8622.26 937.327 30 0 6 6 16290.7 1315.07 27 0 6 6 14186.2 1188.88 33 0 6 7 9372.36 987.652 27 0 6 7 8571.27 976.393 25 0 6 7 8251.34 904.624 33 0 6 8 5574.32 774.454 27 0 6 8 5818.82 812.956 25 0 6 8 5191.15 718.168 33 0 6 9 1172.90 324.432 27 0 6 9 1258.78 378.480 25 0 6 9 872.597 285.790 33 0 6 10 5184.10 688.782 27 0 6 10 5062.51 703.123 25 0 6 10 4193.83 610.942 33 0 6 11 8118.07 816.870 27 0 6 11 8403.45 874.956 25 0 6 11 6474.89 718.400 33 0 6 12 10664.1 884.245 27 0 6 12 8247.18 779.105 33 0 6 13 5096.56 551.252 27 0 6 13 3404.60 472.881 33 0 6 14 820.736 214.417 33 0 7 -15 2220.91 272.572 29 0 7 -14 9785.07 576.615 23 0 7 -14 9955.52 641.911 29 0 7 -13 4752.64 479.724 29 0 7 -13 5272.42 474.496 23 0 7 -12 3743.06 419.215 23 0 7 -11 14355.0 861.246 23 0 7 -11 18241.9 981.169 31 0 7 -10 4242.52 494.118 23 0 7 -10 5596.27 672.091 24 0 7 -10 5119.79 548.435 31 0 7 -9 30785.3 1563.26 24 0 7 -9 28451.7 1337.48 31 0 7 -8 3711.41 492.015 23 0 7 -8 4496.04 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15429.7 1090.12 24 1 8 -1 14926.2 1276.17 27 1 8 -1 16519.4 878.254 34 1 8 0 11745.6 930.994 24 1 8 0 10889.4 1048.26 27 1 8 1 6754.58 708.735 24 1 8 1 8193.14 620.057 34 1 8 2 4706.75 572.546 24 1 8 2 3340.50 553.469 27 1 8 2 4799.62 487.536 34 1 8 3 708.119 254.921 24 1 8 3 667.313 225.412 27 1 8 3 1248.67 312.860 31 1 8 3 838.710 209.481 34 1 8 4 5746.27 678.379 27 1 8 4 7154.79 701.725 24 1 8 5 5190.24 631.909 27 1 8 5 6403.19 648.872 24 1 8 6 1026.39 260.306 24 1 8 6 576.753 219.945 27 1 8 7 222.560 128.583 24 1 8 7 176.647 158.078 27 1 8 8 202.870 118.070 24 1 8 8 152.809 115.353 27 1 9 -10 374.133 114.064 23 1 9 -9 3720.70 348.249 23 1 9 -8 151.983 86.7757 23 1 9 -8-101.491 83.0662 31 1 9 -7 1944.85 286.167 24 1 9 -7 1808.15 274.087 23 1 9 -7 1692.01 353.150 27 1 9 -7 2002.65 275.193 31 1 9 -7 1367.33 201.087 34 1 9 -6 6355.49 529.830 24 1 9 -6 5456.27 648.382 27 1 9 -6 5738.77 491.126 23 1 9 -6 6829.70 534.862 31 1 9 -6 4875.45 388.023 34 1 9 -5 3922.73 566.438 27 1 9 -5 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6896.63 578.782 23 -2 9 -1 9566.61 670.090 24 -2 9 -1 7860.09 530.144 34 -2 9 -1 8855.11 589.744 31 -2 9 -2 2749.49 371.256 24 -2 9 -2 1633.35 307.298 23 -2 9 -2 2398.53 295.584 34 -2 9 -2 2522.89 326.956 31 -2 9 -3 6977.96 562.363 24 -2 9 -3 5935.56 531.079 23 -2 9 -3 6882.46 515.579 31 -2 9 -3 5511.14 428.794 34 -2 9 -4 421.930 142.346 23 -2 9 -4 573.432 174.134 24 -2 9 -4 326.208 120.332 34 -2 9 -4 465.236 139.067 31 -2 9 -5 1167.14 223.667 23 -2 9 -5 1654.86 274.934 24 -2 9 -5 1198.94 203.474 34 -2 9 -5 1487.85 232.921 31 -2 9 -6 5036.81 434.006 23 -2 9 -6 3996.52 337.765 34 -2 9 -6 5460.72 418.998 31 -2 9 -7 1785.62 240.840 23 -2 9 -7 1979.22 241.295 31 -2 9 -8 2312.61 256.461 23 -2 9 -8 2626.53 264.383 31 -2 8 9 1678.63 337.763 27 -2 8 9 1356.74 283.536 30 -2 8 8 1220.99 306.638 27 -2 8 8 754.504 240.938 30 -2 8 7 868.283 306.974 27 -2 8 7 880.140 247.968 30 -2 8 6 3856.88 583.743 27 -2 8 6 3063.19 522.816 30 -2 8 5 3516.21 584.335 27 -2 8 5 3187.78 530.206 30 -2 8 4 10197.4 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6 -1 8769.46 1004.87 20 2 6 -1 6664.81 732.784 18 2 6 0 16887.8 1410.61 27 2 6 0 16828.1 1346.86 20 2 6 0 15694.4 1084.73 18 2 6 0 20492.2 990.095 34 2 6 1 19947.3 1510.57 27 2 6 1 19556.6 1465.34 20 2 6 1 19522.2 1215.59 18 2 6 1 22114.8 1039.12 34 2 6 1 16105.1 1295.00 33 2 6 2 25093.7 1677.65 27 2 6 2 24381.8 1633.91 20 2 6 2 24357.1 1362.81 18 2 6 2 28329.8 1190.37 34 2 6 2 22377.9 1486.00 33 2 6 3 17135.9 1373.50 27 2 6 3 17881.8 1391.23 20 2 6 3 17152.1 1139.21 18 2 6 3 18637.4 974.405 34 2 6 3 17315.9 1277.80 33 2 6 4 15408.8 1081.53 18 2 6 4 14400.9 1232.12 27 2 6 4 15145.8 1266.72 20 2 6 4 15357.6 1194.02 33 2 6 5 9355.63 822.410 18 2 6 5 8629.72 921.766 27 2 6 5 9119.54 970.866 20 2 6 5 8563.68 888.914 33 2 6 6 3188.60 477.727 18 2 6 6 3585.43 608.511 20 2 6 6 3127.18 530.357 33 2 6 7 924.252 262.423 18 2 6 7 878.426 282.796 20 2 6 7 723.718 262.949 33 2 6 8 2867.37 432.006 18 2 6 8 2915.53 497.221 20 2 6 8 2874.31 488.056 33 2 6 9 3136.19 442.416 18 2 6 9 3756.74 554.897 20 2 6 9 3364.51 484.970 33 2 6 10 947.445 221.712 18 2 6 10 1321.88 321.192 20 2 6 10 948.127 246.496 33 2 6 11 692.793 184.868 18 2 6 11 1245.85 288.019 20 2 6 11 1151.68 237.092 33 2 6 12 5419.34 469.603 24 2 6 12 5213.94 496.347 20 2 6 12 4195.27 408.811 33 2 7 -14 1416.95 220.681 23 2 7 -14 1355.70 196.470 19 -2 -7 14 816.280 230.329 53 2 7 -13 1612.45 223.305 19 2 7 -13 2026.11 285.739 23 -2 -7 13 1491.06 321.672 53 2 7 -12 747.810 187.557 23 -2 -7 12 464.098 223.931 53 2 7 -11 480.557 173.930 23 2 7 -10 518.041 221.056 23 2 7 -9 8270.73 696.847 23 2 7 -9 9686.45 874.596 31 2 7 -8 9593.44 1122.15 27 2 7 -8 12720.4 881.146 23 2 7 -8 8923.33 613.002 34 2 7 -8 12927.1 993.161 31 2 7 -7 2294.23 589.555 27 2 7 -7 3717.88 505.151 23 2 7 -7 2628.08 347.697 34 2 7 -7 3674.30 563.532 31 2 7 -6 1429.73 323.341 23 2 7 -6 421.123 306.484 27 2 7 -6 1314.40 336.612 31 2 7 -6 783.615 199.312 34 2 7 -5 2289.44 586.724 27 2 7 -5 1985.80 435.127 20 2 7 -5 2774.07 442.403 23 2 7 -5 2371.51 341.003 34 2 7 -5 2593.93 473.960 31 2 7 -4 10568.7 967.976 24 2 7 -4 8607.31 1018.19 27 2 7 -4 8883.24 905.653 20 2 7 -4 9215.07 650.805 34 2 7 -4 11372.5 922.514 31 2 7 -3 5154.29 807.459 27 2 7 -3 5806.85 800.959 20 2 7 -3 4481.39 491.650 34 2 7 -2 24598.9 1462.93 24 2 7 -2 28052.7 1777.03 27 2 7 -2 28323.9 1640.72 20 2 7 -2 28137.7 1140.02 34 2 7 -1 30490.1 1631.11 24 2 7 -1 31092.5 1863.18 27 2 7 -1 33839.2 1823.46 20 2 7 0 760.594 305.591 24 2 7 0 401.890 290.749 27 2 7 0 828.127 376.764 20 2 7 1 524.089 250.332 18 2 7 1 431.143 209.847 24 2 7 1 601.422 269.087 27 2 7 1 212.131 158.542 20 2 7 1 850.838 213.817 34 2 7 2 7251.84 789.421 24 2 7 2 7278.39 867.868 27 2 7 2 7090.97 824.393 20 2 7 2 7136.13 737.281 18 2 7 2 9036.69 664.153 34 2 7 3 1593.14 368.076 27 2 7 3 2226.21 410.774 18 2 7 3 1900.47 385.109 24 2 7 3 1950.99 448.816 20 2 7 3 2439.33 354.078 34 2 7 4 5324.42 632.376 24 2 7 4 4594.72 632.377 27 2 7 4 4775.85 649.929 20 2 7 4 5680.22 621.703 18 2 7 5 2710.94 437.263 24 2 7 5 2519.73 457.895 20 2 7 5 1863.48 393.375 27 2 7 5 2752.74 426.711 18 2 7 5 2604.72 466.754 33 2 7 6 356.830 165.767 18 2 7 6 435.222 186.226 24 2 7 6 352.629 205.947 27 2 7 6 652.306 263.479 20 2 7 6 439.117 216.164 33 2 7 7 3570.36 473.154 24 2 7 7 3411.33 492.461 20 2 7 7 3288.41 440.492 18 2 7 7 3443.70 478.328 33 2 7 8 1364.62 266.578 18 2 7 8 1454.40 299.525 24 2 7 8 1228.40 290.523 20 2 7 8 1344.96 295.083 33 2 7 9 987.547 236.812 24 2 7 9 789.208 217.141 20 2 7 10 3447.97 367.018 24 2 8 -12 710.054 155.134 23 2 8 -11 668.714 159.337 23 2 8 -10 5865.13 490.607 23 2 8 -9 842.493 197.292 23 2 8 -9 946.698 215.940 31 2 8 -8 626.964 169.836 23 2 8 -8 298.379 199.059 27 2 8 -8 408.571 136.987 34 2 8 -8 725.882 208.022 31 2 8 -7 2173.98 492.755 27 2 8 -7 1983.38 323.045 23 2 8 -7 1659.92 257.827 34 2 8 -7 2717.35 418.680 31 2 8 -6 562.979 174.377 23 2 8 -6 394.007 274.456 27 2 8 -6 680.150 240.024 31 2 8 -6 572.584 169.036 34 2 8 -5 777.442 238.036 24 2 8 -5 725.729 320.825 27 2 8 -5 1025.82 270.423 31 2 8 -5 1097.85 228.666 34 2 8 -4 11541.9 874.502 24 2 8 -4 9093.61 904.603 27 2 8 -4 11021.2 651.835 34 2 8 -3 4061.17 536.999 24 2 8 -3 4801.72 678.356 27 2 8 -3 6790.53 526.175 34 2 8 -3 6771.76 657.590 31 2 8 -2 3535.51 504.555 24 2 8 -2 4624.07 661.492 27 2 8 -2 4219.91 419.354 34 2 8 -2 4902.96 554.667 31 2 8 -1 10774.7 849.009 24 2 8 -1 9199.83 887.049 27 2 8 -1 10707.4 658.198 34 2 8 -1 12519.4 876.030 31 2 8 0 3513.94 496.202 24 2 8 0 3145.85 533.629 27 2 8 0 4975.06 459.696 34 2 8 0 5526.39 608.828 31 2 8 1 4728.23 554.606 24 2 8 1 4842.23 447.622 34 2 8 1 5832.19 606.388 31 2 8 2 4165.01 512.797 24 2 8 2 3115.65 498.003 27 2 8 2 4760.42 442.422 34 2 8 2 5823.20 593.144 31 2 8 3 703.469 238.619 27 2 8 3 1007.51 257.310 24 2 8 3 1033.66 258.168 31 2 8 4 158.391 139.285 27 2 8 4 17.9478 83.7822 24 2 8 5 1515.09 281.024 24 2 8 5 1310.61 285.935 27 2 8 6 1492.07 260.035 24 2 8 7 184.462 93.7986 24 2 9 -7 358.632 123.558 31 2 9 -6 968.324 268.722 27 2 9 -6 825.878 147.673 34 2 9 -6 1242.07 224.391 31 2 9 -5 4370.41 506.462 27 2 9 -5 3682.30 308.664 34 2 9 -4 5150.84 431.147 24 2 9 -4 5023.43 542.525 27 2 9 -4 6020.84 403.601 34 2 9 -3 1513.74 332.372 27 2 9 -3 2023.37 245.889 34 2 9 -3 2413.36 352.950 31 2 9 -2 2257.05 299.914 24 2 9 -2 2212.60 355.284 27 2 9 -2 2395.15 262.695 34 2 9 -1 2249.12 307.228 24 2 9 -1 2459.87 268.656 34 2 9 0 104.941 83.3531 24 2 9 0-34.0032 113.325 27 2 9 0 9.49218 49.2835 34 2 9 1 686.124 157.544 24 2 9 1 412.347 171.207 27 2 9 1 442.169 108.921 34 2 9 2 1254.14 207.508 24 -3 9 -3 3213.24 336.251 23 -3 9 -4 523.215 136.824 23 -3 9 -5 5895.25 411.430 23 -3 8 8 118.026 78.7517 30 -3 8 7 505.643 195.133 30 -3 8 6 5531.64 633.817 30 -3 8 5 695.007 227.863 30 -3 8 4 6993.30 750.305 30 -3 8 3 1353.71 273.388 34 -3 8 3 1441.67 361.834 30 -3 8 2 1331.92 414.911 32 -3 8 2 1255.08 261.775 34 -3 8 2 941.881 308.348 30 -3 8 1 1833.31 349.885 23 -3 8 1 5344.85 789.026 21 -3 8 1 2601.74 492.213 30 -3 8 1 3243.10 392.012 34 -3 8 1 4952.36 754.386 32 -3 8 0 7266.42 659.758 23 -3 8 0 8481.11 865.033 30 -3 8 -1 1957.96 360.087 23 -3 8 -1 4833.87 737.042 21 -3 8 -1 3446.34 592.160 30 -3 8 -1 3346.20 378.874 34 -3 8 -1 3367.58 407.446 31 -3 8 -2 11129.1 775.487 23 -3 8 -2 15720.7 1247.37 21 -3 8 -2 14474.5 859.766 24 -3 8 -2 12461.0 710.551 34 -3 8 -2 13321.2 766.964 31 -3 8 -3 2912.66 395.589 23 -3 8 -3 4001.51 633.037 21 -3 8 -3 3313.58 422.241 24 -3 8 -3 3233.82 369.531 34 -3 8 -3 3399.75 385.699 31 -3 8 -4 6857.26 571.078 23 -3 8 -4 6396.56 511.602 34 -3 8 -4 7332.98 554.044 31 -3 8 -5 1491.49 372.505 21 -3 8 -5 1045.47 228.544 23 -3 8 -5 1256.03 226.982 31 -3 8 -6 1380.06 249.281 23 -3 8 -6 1650.22 251.517 31 -3 8 -7 1180.61 219.308 23 -3 8 -8 1478.11 238.638 23 -3 8 -9 946.338 175.667 23 -3 7 11 4092.09 514.179 27 -3 7 11 4229.10 507.751 30 -3 7 10 415.533 182.573 27 -3 7 10 688.908 240.246 30 -3 7 9 2680.88 474.074 27 -3 7 9 2974.92 489.756 30 -3 7 8 2004.48 411.028 27 -3 7 8 2134.95 433.722 30 -3 7 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4183.35 793.591 21 -3 7 -2 2663.25 574.044 30 -3 7 -2 3367.11 418.717 34 -3 7 -2 3404.79 435.498 31 -3 7 -3 6049.13 602.140 23 -3 7 -3 6987.74 920.955 21 -3 7 -3 6727.75 640.402 24 -3 7 -3 4361.68 710.739 30 -3 7 -3 5952.54 546.138 34 -3 7 -3 7007.68 598.316 31 -3 7 -4 24774.8 1194.08 23 -3 7 -4 27854.7 1277.51 24 -3 7 -4 24495.7 1073.12 34 -3 7 -4 26627.3 1139.47 31 -3 7 -5 5231.92 540.372 23 -3 7 -5 6902.87 906.848 21 -3 7 -5 5242.76 501.133 34 -3 7 -5 5445.08 516.333 31 -3 7 -6 1253.98 420.344 21 -3 7 -6 838.289 218.424 23 -3 7 -6 788.365 210.518 34 -3 7 -6 852.228 209.276 31 -3 7 -7 2154.74 483.245 21 -3 7 -7 1670.72 291.813 23 -3 7 -7 2054.71 315.601 31 -3 7 -8 3424.52 400.226 23 -3 7 -8 3580.41 399.278 31 -3 7 -8 2857.81 394.090 29 -3 7 -9 845.511 198.647 23 -3 7 -9 719.506 209.408 29 -3 7 -10 2571.80 339.989 29 -3 7 -11 4371.17 406.011 29 -3 7 -12 2403.09 268.781 29 -3 6 14 3574.12 441.454 27 -3 6 13 7570.67 734.611 27 -3 6 13 7231.65 684.134 30 -3 6 12 116.360 258.042 28 -3 6 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10324.7 860.391 23 -3 6 0 10395.8 1217.87 21 -3 6 0 10438.5 1187.52 32 -3 6 0 10010.3 1094.14 30 -3 6 0 11957.9 767.229 34 -3 6 0 10883.2 775.364 31 -3 6 -1 1556.15 519.816 21 -3 6 -1 2068.44 413.961 23 -3 6 -1 1690.39 481.584 32 -3 6 -1 3789.06 459.830 34 -3 6 -1 4535.97 532.329 31 -3 6 -1 1767.06 521.163 30 -3 6 -2 57952.9 1900.06 24 -3 6 -2 57263.8 1912.47 23 -3 6 -2 46743.6 2568.60 21 -3 6 -2 51739.1 2605.57 32 -3 6 -2 59298.6 1771.57 31 -3 6 -2 43344.5 2267.59 30 -3 6 -2 56166.2 1672.67 34 -3 6 -3 30041.8 1381.16 24 -3 6 -3 30160.4 1372.70 23 -3 6 -3 25635.0 1892.95 21 -3 6 -3 28986.2 1961.59 32 -3 6 -3 29760.0 1232.56 34 -3 6 -3 30911.0 1273.25 31 -3 6 -4 33383.4 1430.52 23 -3 6 -4 29715.7 2030.47 21 -3 6 -4 33301.6 1449.95 24 -3 6 -4 31440.6 1272.61 34 -3 6 -4 34735.9 1346.60 31 -3 6 -5 5576.09 588.371 23 -3 6 -5 4694.64 802.476 21 -3 6 -5 5468.05 605.402 24 -3 6 -5 5123.97 527.366 34 -3 6 -5 5062.92 517.587 31 -3 6 -6 10638.2 786.076 23 -3 6 -6 11441.1 1249.07 21 -3 6 -6 9080.79 694.247 34 -3 6 -6 10939.2 748.974 31 -3 6 -6 8376.95 768.909 29 -3 6 -7 6344.70 589.900 23 -3 6 -7 7464.31 992.689 21 -3 6 -7 6452.92 573.563 31 -3 6 -7 5345.69 594.080 29 -3 6 -8 4587.75 495.867 23 -3 6 -8 5714.74 828.969 21 -3 6 -8 4330.56 511.317 29 -3 6 -8 4950.19 512.844 31 -3 6 -9 11804.7 752.505 23 -3 6 -9 10794.4 773.595 29 -3 6 -10 603.088 202.334 29 -3 6 -11 5968.57 528.279 29 -3 6 -12 189.225 119.926 29 -3 6 -13 428.585 136.081 29 -3 6 -14 3629.78 307.584 29 -3 5 15 2232.10 413.402 27 -3 5 15 2093.00 366.553 30 -3 5 14 6174.91 729.930 27 -3 5 14 6650.52 703.670 30 -3 5 13 185.511 219.167 28 -3 5 13 407.015 247.848 27 -3 5 13 175.020 156.189 25 -3 5 13 213.013 138.017 30 -3 5 12 15588.4 1237.50 27 -3 5 12 11581.3 1068.16 25 -3 5 12 13602.6 1121.39 30 -3 5 11 7648.07 892.382 27 -3 5 11 6586.40 808.452 30 -3 5 10 22123.1 1527.17 27 -3 5 10 19812.6 1426.23 30 -3 5 9 2883.89 806.181 28 -3 5 9 4540.73 682.800 27 -3 5 9 2194.15 690.867 32 -3 5 9 3928.95 667.887 30 -3 5 8 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480.091 40 4 -3 0 5208.38 568.591 39 -4 3 -1 3084.19 558.545 17 4 -3 1 2730.73 484.429 7 -4 3 -1 2857.32 514.295 15 4 -3 1 2179.74 385.603 44 -4 3 -1 1821.00 474.261 43 4 -3 1 2915.95 382.817 40 -4 3 -1 2426.00 628.592 32 4 -3 1 2851.28 408.589 39 -4 3 -2 2270.81 626.976 21 4 -3 2 1942.01 417.550 7 4 -3 2 1875.85 372.345 44 -4 3 -2 3533.23 473.346 29 -4 3 -3 1032.14 434.684 21 -4 3 -3 1929.12 348.334 29 -4 3 -3 1925.68 345.448 23 -4 3 -4 3864.06 792.429 21 -4 3 -4 5753.69 597.001 29 -4 3 -5 3864.40 761.797 21 -4 3 -5 4552.37 533.595 29 -4 3 -6 4556.41 853.849 21 -4 3 -6 4500.50 518.824 29 -4 3 -7 17559.5 1608.04 21 -4 3 -7 15501.2 956.880 29 -4 3 -8 14168.4 1464.21 21 -4 3 -8 12255.5 964.696 22 -4 3 -8 13124.9 867.687 29 -4 3 -9 2168.02 580.811 21 -4 3 -9 1676.53 368.364 22 -4 3 -9 1135.30 312.559 52 -4 3 -9 1824.53 320.511 29 -4 3 -10 860.644 374.074 21 -4 3 -10 617.819 198.029 29 -4 3 -10 750.974 245.269 22 -4 3 -10 76.2583 122.756 52 -4 3 -11 4074.17 691.441 21 4 -3 11 2855.38 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24117.6 1157.84 39 -4 2 0 3801.01 615.923 17 4 -2 0 3552.27 532.527 7 4 -2 0 3729.52 554.900 16 -4 2 0 3356.65 545.329 15 -4 2 0 2986.32 635.803 43 4 -2 0 2943.51 411.539 44 4 -2 0 3707.81 465.662 39 -4 2 -1 6883.33 783.270 17 4 -2 1 5702.18 662.097 7 4 -2 1 5589.90 660.736 16 -4 2 -1 5601.74 694.865 15 4 -2 1 4984.67 564.086 44 -4 2 -1 5302.01 813.362 43 4 -2 1 5179.72 474.545 40 4 -2 1 5807.59 561.257 39 -4 2 -2 13512.5 1110.66 17 4 -2 2 11749.2 978.247 7 4 -2 2 10559.4 921.205 16 -4 2 -2 11937.2 1036.76 15 4 -2 2 9353.82 770.086 44 -4 2 -2 11758.5 1204.84 43 4 -2 2 13895.5 782.595 40 4 -2 2 14157.8 862.501 39 -4 2 -3 14213.0 1157.03 17 4 -2 3 8516.50 838.985 16 4 -2 3 10504.3 933.612 7 -4 2 -3 10533.4 976.571 15 4 -2 3 9010.87 798.094 44 -4 2 -3 11308.6 1191.52 43 4 -2 3 14308.9 786.835 40 4 -2 3 13694.2 859.576 39 -4 2 -3 12531.8 763.489 38 -4 2 -4 3512.03 419.922 38 -4 2 -4 4642.87 539.122 29 -4 2 -5 889.525 256.444 29 -4 2 -5 393.182 220.111 52 -4 2 -6 2432.33 446.385 22 -4 2 -6 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4654.15 755.218 56 4 2 4 3612.04 519.986 35 4 2 5 2324.86 393.518 18 -4 -2 -5 2333.28 566.440 56 4 2 5 1782.67 366.527 35 4 2 6 1768.29 334.856 18 -4 -2 -6 1622.65 488.305 56 4 2 6 1455.05 323.450 35 4 2 7 5227.87 579.019 18 -4 -2 -7 4677.70 754.969 56 4 2 7 4047.12 532.572 35 4 2 8 15791.9 977.724 18 -4 -2 -8 13946.3 1253.66 56 4 2 8 12216.0 903.837 35 4 2 9 1963.98 350.666 18 -4 -2 -9 1719.55 457.504 56 4 2 9 1634.73 327.884 35 4 2 10 2430.28 352.008 18 -4 -2 -10 2031.30 482.688 56 4 2 10 1694.93 320.304 35 4 2 11 2510.03 341.518 18 -4 -2 -11 2419.83 463.264 56 4 2 11 1724.81 311.454 35 4 2 12 810.899 180.329 18 -4 -2 -12 664.062 251.071 56 4 2 12 603.387 166.955 35 4 2 13 309.917 113.160 18 -4 -2 -13 449.667 194.040 56 4 2 13 258.369 104.102 35 4 3 -17 1582.58 207.493 19 -4 -3 17 2055.13 425.127 55 4 3 -17 2093.79 271.485 54 4 3 -16 1498.88 228.698 19 -4 -3 16 1507.15 402.771 55 4 3 -16 1915.59 287.101 54 -4 -3 16 748.701 283.649 53 4 3 -15 3318.81 343.120 19 -4 -3 15 2599.22 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511.505 55 4 3 -6 814.598 232.068 35 4 3 -5 17715.3 1410.69 20 4 3 -5 14951.7 777.108 19 -4 -3 5 16417.6 1787.86 55 4 3 -5 15908.7 1018.05 35 4 3 -4 399.070 160.928 19 4 3 -4 650.123 359.014 20 -4 -3 4 355.911 346.507 56 -4 -3 4 216.289 324.066 55 4 3 -4 417.141 204.104 35 4 3 -3 1485.60 431.079 20 -4 -3 3 770.872 291.438 56 -4 -3 3 798.984 407.780 55 4 3 -3 1104.02 269.144 35 4 3 -2 1926.98 493.732 20 -4 -3 2 1995.09 552.494 56 4 3 -2 1799.38 347.623 35 4 3 -1 6718.93 863.750 20 -4 -3 1 5481.17 894.043 56 4 3 -1 5586.08 612.927 35 4 3 0 13722.4 1238.72 20 -4 -3 0 12290.3 1312.52 56 4 3 0 11270.2 879.156 35 4 3 1 16981.9 1103.63 18 4 3 1 20134.0 1498.66 20 -4 -3 -1 20342.2 1670.67 56 4 3 1 17850.3 1117.02 35 4 3 2 10010.2 1046.10 20 4 3 2 9756.17 844.073 18 -4 -3 -2 10591.9 1196.56 56 4 3 2 9145.03 801.910 35 4 3 3 1407.41 419.428 20 4 3 3 1191.13 304.475 18 -4 -3 -3 1040.65 409.401 56 4 3 3 1262.38 311.992 35 4 3 4 35335.4 1919.39 20 4 3 4 35995.2 1586.90 18 -4 -3 -4 33929.5 2082.35 56 4 3 4 30692.4 1459.90 35 4 3 5 6475.27 806.133 20 4 3 5 6986.56 695.437 18 -4 -3 -5 5839.23 857.872 56 4 3 5 5631.07 626.668 35 4 3 6 4902.24 679.950 20 4 3 6 5769.00 610.249 18 -4 -3 -6 5943.35 847.108 56 4 3 6 4474.32 544.407 35 4 3 7 13196.8 1090.01 20 4 3 7 13844.5 917.166 18 -4 -3 -7 12820.6 1186.55 56 4 3 7 11819.9 863.695 35 4 3 8 1061.85 308.632 20 4 3 8 810.382 223.121 18 -4 -3 -8 934.463 360.663 56 4 3 8 780.005 236.093 35 4 3 9 1767.76 366.726 20 4 3 9 1911.44 314.994 18 -4 -3 -9 1427.26 396.358 56 4 3 9 1665.75 309.680 35 4 3 10 1111.74 266.459 20 4 3 10 1211.99 231.199 18 -4 -3 -10 934.742 282.427 56 4 3 10 1010.49 232.102 35 4 3 11 1376.13 231.013 18 4 3 11 910.770 227.112 20 -4 -3 -11 931.153 269.753 56 -4 -3 -12 86.6611 99.5057 56 4 3 12 77.4397 64.5614 18 -4 -3 -13-37.7301 82.7270 56 4 3 13 63.7241 48.7099 18 4 4 -17 1557.01 183.283 19 -4 -4 17 1541.04 318.758 55 -4 -4 17 793.869 223.393 53 4 4 -16 496.003 135.205 19 -4 -4 16 732.974 263.221 55 4 4 -15 1189.27 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493.454 203.003 18 -4 -5 -2 748.022 322.087 56 4 5 2 643.217 208.769 35 4 5 3 1277.70 349.703 20 4 5 3 1431.85 319.264 18 -4 -5 -3 1414.08 441.429 56 4 5 3 1515.18 307.882 35 4 5 4 438.556 208.990 20 -4 -5 -4 416.022 239.486 56 4 5 4 559.031 188.034 18 4 5 5 3438.21 436.469 18 4 5 5 2652.40 445.496 20 -4 -5 -5 3168.50 567.916 56 4 5 6 2026.52 333.431 18 4 5 6 1687.62 340.470 20 -4 -5 -6 1666.85 392.062 56 4 5 7 5973.46 510.208 18 4 5 7 5345.44 563.977 20 -4 -5 -7 5435.93 655.951 56 4 5 8 170.301 127.155 20 -4 -5 -8 446.989 241.954 56 4 5 8 166.003 99.2389 18 4 5 9 1289.23 209.462 18 4 5 9 1119.16 225.201 20 -4 -5 -9 1187.07 274.007 56 4 5 10 1243.93 184.074 18 4 6 -14 2861.63 269.949 23 -4 -6 14 2698.95 368.531 53 4 6 -13 142.806 76.3779 19 -4 -6 13 248.441 168.125 55 -4 -6 13 199.013 154.050 53 4 6 -12 1913.98 230.770 19 -4 -6 12 1327.34 351.276 55 4 6 -11 11535.8 825.393 20 -4 -6 11 6900.14 800.081 55 4 6 -10 7746.69 705.267 20 4 6 -10 8307.23 606.932 35 4 6 -9 2024.48 383.515 20 -4 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1939.13 356.073 18 -4 -6 -1 1299.53 443.133 55 4 6 1 2440.53 313.047 34 4 6 2 1845.21 334.789 18 4 6 2 1712.28 345.632 20 -4 -6 -2 1038.60 391.595 55 4 6 2 2243.48 289.668 34 4 6 3 139.561 139.242 20 -4 -6 -3 2.13779 135.357 55 4 6 3 19.4219 84.4858 18 4 6 4 653.714 205.727 20 4 6 4 558.620 171.973 18 4 6 5 2244.98 346.043 20 4 6 5 2245.72 320.215 18 4 6 6 507.690 171.284 20 4 6 6 471.654 146.293 18 4 6 7 1303.01 230.609 20 4 6 7 1613.97 223.994 18 4 7 -11 444.448 122.773 23 4 7 -10 419.333 128.913 23 4 7 -10 737.621 197.284 20 4 7 -9 3344.98 406.074 20 4 7 -9 2319.41 290.128 23 4 7 -8 528.587 181.734 20 4 7 -8 328.654 103.804 34 4 7 -7 739.727 221.901 20 4 7 -7 817.733 188.422 35 4 7 -7 487.135 114.384 34 4 7 -6 1034.22 257.916 20 -4 -7 6 755.967 287.018 55 4 7 -6 1037.94 234.930 31 4 7 -6 993.555 183.341 34 4 7 -6 1386.66 246.061 35 4 7 -5 1882.63 350.980 20 -4 -7 5 1097.39 346.363 55 4 7 -5 1729.40 232.860 34 4 7 -5 1642.44 302.623 31 4 7 -4 4163.03 499.937 20 -4 -7 4 3917.47 619.435 55 4 7 -4 4237.54 354.753 34 4 7 -3 2206.91 414.891 20 4 7 -3 2029.71 393.305 27 4 7 -3 2459.66 278.363 34 4 7 -2 3027.10 429.414 20 -4 -7 2 2791.88 503.783 55 4 7 -2 3494.50 323.600 34 4 7 -1 1829.18 350.618 20 4 7 -1 2177.90 259.959 34 4 7 0 1862.56 328.895 20 -4 -7 0 1257.30 346.353 55 4 7 0 2017.94 251.772 34 4 7 1 3728.94 441.994 20 4 7 1 3738.52 325.543 34 4 7 2 294.822 137.883 20 -4 -7 -2 145.501 130.964 55 4 7 3 954.298 180.731 24 4 7 3 1188.27 230.477 20 4 7 4 110.096 78.9734 20 4 8 -5 2354.00 210.927 34 4 8 -4 1341.42 163.532 34 4 8 -3 858.572 134.636 34 4 8 -2 3615.89 321.419 31 -5 7 5 296.764 202.967 32 -5 7 4 5722.84 696.968 32 -5 7 3 1940.45 417.162 32 -5 7 2 4997.31 647.217 21 -5 7 2 4765.76 634.617 32 -5 7 1 3862.20 559.879 21 -5 7 1 3900.29 574.457 32 -5 7 0 1010.87 301.077 21 -5 7 0 1127.84 340.073 32 -5 7 -1 4560.88 575.657 21 -5 7 -1 5187.35 646.383 32 -5 7 -2 4625.38 560.797 21 -5 7 -2 5369.07 628.808 32 -5 7 -3 3770.78 497.408 21 -5 7 -3 3077.13 459.583 32 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225.000 30 -5 5 10 583.304 404.445 28 -5 5 10 517.324 181.122 30 -5 5 9 282.972 350.459 28 -5 5 8 793.862 398.132 28 -5 5 8 843.052 345.102 32 -5 5 7 1018.54 454.877 28 -5 5 7 725.406 371.662 32 -5 5 6 13577.1 1468.06 28 -5 5 6 11963.7 1288.93 32 -5 5 5 12233.4 1365.33 28 -5 5 5 11119.5 1225.78 21 -5 5 5 9948.84 1171.72 32 -5 5 4 919.614 361.795 21 -5 5 4 776.518 360.568 28 -5 5 4 810.884 361.497 32 -5 5 3 2063.12 523.640 21 -5 5 3 1871.94 521.659 28 -5 5 3 1751.54 474.286 32 -5 5 2 4660.70 835.202 28 -5 5 2 4843.90 831.461 21 -5 5 2 3277.60 657.653 32 -5 5 1 26533.8 1923.83 28 -5 5 1 26966.9 1881.36 21 -5 5 1 21903.0 1670.16 32 -5 5 0 2879.13 633.430 21 -5 5 0 2255.90 549.973 32 -5 5 -1 3679.30 747.531 28 -5 5 -1 3290.23 663.692 21 -5 5 -1 3106.38 642.662 32 -5 5 -2 2005.90 500.459 21 -5 5 -2 2111.36 555.043 28 -5 5 -2 1302.66 281.372 29 -5 5 -2 2022.55 520.602 32 -5 5 -3 3248.66 609.407 21 -5 5 -3 2645.18 384.896 29 -5 5 -3 3669.82 681.529 32 -5 5 -4 2193.53 485.430 21 -5 5 -4 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140.621 35 -6 1 -8 1019.87 274.993 32 -6 1 -9 798.541 221.329 32 -6 0 14 627.283 223.760 26 6 0 -14 1551.61 202.119 54 6 0 -13 1511.46 185.763 19 -6 0 13 1477.12 364.950 26 6 0 -13 1662.94 233.350 54 6 0 -12 80.7902 57.7246 19 -6 0 12 221.529 203.010 26 6 0 -12 108.767 97.8664 54 6 0 -11 652.444 167.839 19 -6 0 11 990.765 345.223 26 -6 0 10 2964.18 563.321 26 6 0 -10 2391.18 285.359 19 6 0 -9 494.253 148.308 19 -6 0 9 835.636 358.844 26 6 0 -8 132.557 57.4108 19 -6 0 8 178.431 215.777 26 -6 0 7 2867.40 620.292 26 6 0 -7 2417.83 315.442 19 -6 0 6 2563.86 571.386 28 -6 0 6 812.449 429.037 26 -6 0 5 3200.00 690.838 28 -6 0 4 25305.6 1837.41 28 -6 0 3 20702.5 1653.84 28 -6 0 3 14934.5 1285.48 56 -6 0 2 18659.8 1575.88 28 -6 0 2 12595.3 1155.78 56 -6 0 1 2457.94 637.888 28 6 0 -1 1443.50 310.220 35 -6 0 1 1768.58 329.540 29 -6 0 0 4739.84 702.521 56 6 0 0 4487.89 513.560 35 -6 0 0 5897.14 549.992 29 -6 0 -1 1183.45 379.832 56 6 0 1 1152.87 254.516 35 -6 0 -1 1208.80 376.902 32 -6 0 -1 1615.44 292.533 29 -6 0 -2 3.26541 80.3397 29 -6 0 -2 240.757 230.065 56 6 0 2-34.0646 118.325 35 -6 0 -3 1605.63 387.187 56 6 0 3 1390.74 276.431 35 -6 0 -3 2163.19 322.861 29 -6 0 -4 3437.19 521.426 56 6 0 4 3377.12 415.249 35 -6 0 -4 4553.56 450.266 29 -6 0 -5 1243.51 327.304 56 6 0 5 1128.26 236.087 35 -6 0 -5 1558.33 254.464 29 6 0 6 1119.98 221.017 35 -6 0 -6 1323.17 223.834 29 6 0 7 220.752 89.0847 35 6 0 8 763.605 151.568 35 6 1 -14 2573.12 256.578 54 6 1 -13 2210.39 230.205 19 -6 -1 13 1814.69 388.002 26 6 1 -13 2298.22 267.688 54 6 1 -12 1210.45 185.253 19 -6 -1 12 1002.22 334.597 26 6 1 -11 2210.51 272.183 19 -6 -1 11 2068.68 472.994 26 6 1 -10 1303.74 208.789 19 -6 -1 10 1006.18 337.753 26 -6 -1 9 3296.95 626.958 26 6 1 -9 3520.04 348.819 19 -6 -1 8 2216.09 532.453 26 6 1 -8 1936.34 261.908 19 -6 -1 7 8079.24 973.534 26 6 1 -7 7502.05 511.935 19 -6 -1 6 14145.5 1364.26 26 6 1 -6 12701.4 667.140 19 6 1 -5 629.613 206.438 35 -6 -1 4 4093.02 684.211 56 6 1 -4 403.927 205.176 35 -6 -1 3 13046.7 1151.76 56 6 1 -3 7916.63 674.586 35 -6 -1 2 16620.4 1296.07 56 6 1 -2 12858.5 854.503 35 -6 -1 1 3143.83 610.146 56 6 1 -1 2083.10 355.682 35 -6 -1 0 221.470 218.651 28 -6 -1 0 545.871 303.072 56 6 1 0 156.655 122.308 35 -6 -1 -1 3607.88 606.293 56 6 1 1 2901.27 386.529 35 -6 -1 -2 1180.03 337.495 56 6 1 2 963.732 220.817 35 -6 -1 -3 1139.38 332.128 56 6 1 3 890.163 208.852 35 -6 -1 -4 1246.96 310.564 56 6 1 4 1206.91 233.215 35 -6 -1 -5 14.7818 112.553 56 6 1 5 338.943 131.718 35 -6 -1 -6 55.2500 109.591 56 6 1 6 38.8903 63.1343 35 -6 -1 -7 612.780 193.902 56 6 1 7 478.554 126.350 35 6 1 8 127.362 70.8197 35 6 2 -13 2987.23 248.925 19 6 2 -13 2452.49 262.918 54 6 2 -12 1150.06 171.967 19 -6 -2 12 827.359 268.363 26 -6 -2 12 627.090 223.000 55 6 2 -12 991.482 186.374 54 6 2 -11 1195.73 182.153 19 -6 -2 11 1552.00 391.680 26 -6 -2 11 710.567 282.427 55 6 2 -10 2140.34 250.304 19 -6 -2 10 1974.42 456.365 26 6 2 -9 1005.36 184.634 19 -6 -2 9 1008.09 356.719 26 -6 -2 9 813.226 323.579 55 6 2 -9 886.587 203.667 35 6 2 -8 1227.82 204.269 19 -6 -2 8 967.241 342.342 26 -6 -2 8 883.384 367.336 55 6 2 -8 1137.25 250.398 35 6 2 -7 1992.66 262.560 19 -6 -2 7 1592.64 472.152 26 -6 -2 7 1632.92 463.934 55 6 2 -7 2054.53 326.185 35 -6 -2 6 7092.84 952.231 26 6 2 -6 7219.95 484.372 19 -6 -2 6 6232.59 893.730 55 6 2 -6 7211.38 610.265 35 6 2 -5 2324.42 281.052 19 -6 -2 5 2692.16 573.509 55 6 2 -5 2280.70 357.226 35 6 2 -4 8609.75 525.225 19 -6 -2 4 11145.9 1005.74 56 -6 -2 4 11894.2 1189.75 55 6 2 -4 9931.43 714.713 35 6 2 -3 3793.25 358.403 19 6 2 -3 4305.50 475.751 35 -6 -2 2 2686.30 533.105 56 6 2 -2 1713.61 297.138 35 -6 -2 1 7543.13 824.223 56 -6 -2 1 7215.67 913.284 55 6 2 -1 6525.18 568.396 35 -6 -2 0 1474.43 376.382 56 -6 -2 0 1138.95 385.951 55 6 2 0 1289.93 264.209 35 -6 -2 -1 2795.40 486.390 56 -6 -2 -1 1560.66 439.750 55 6 2 1 2539.65 343.626 35 -6 -2 -2 248.571 174.704 56 6 2 2 301.815 114.995 35 -6 -2 -3 867.638 272.800 56 6 2 3 770.795 193.083 35 -6 -2 -4 910.924 245.109 56 6 2 4 836.307 176.986 35 -6 -2 -5 822.479 233.449 56 6 2 5 689.505 157.951 35 -6 -2 -6 178.519 106.642 56 6 2 6 257.144 101.109 35 -6 -2 -7 1483.02 248.522 56 6 2 7 1517.10 192.143 35 6 3 -12 6577.29 353.543 19 -6 -3 12 3306.02 473.672 55 -6 -3 11 1463.02 363.292 55 6 3 -11 1304.27 194.656 54 6 3 -10 206.011 86.2083 19 -6 -3 10-5.24682 143.403 55 6 3 -10 163.893 108.058 35 6 3 -9 6.93592 62.4287 19 -6 -3 9 302.052 202.024 26 -6 -3 9 146.876 184.525 55 6 3 -9 81.4995 79.8478 35 6 3 -8 1287.71 202.068 19 -6 -3 8 1049.20 329.822 26 -6 -3 8 1175.80 397.721 55 6 3 -8 1508.53 267.122 35 6 3 -7 1317.18 204.354 19 -6 -3 7 1146.25 337.474 26 -6 -3 7 758.696 312.387 55 6 3 -7 1135.01 229.979 35 6 3 -6 325.370 113.040 19 -6 -3 6 332.385 208.186 26 -6 -3 6 385.647 238.667 55 6 3 -6 325.974 141.647 35 -6 -3 5 2906.81 609.908 26 6 3 -5 3147.48 306.913 19 -6 -3 5 3245.58 604.689 55 6 3 -5 2455.31 349.729 35 -6 -3 4 10317.3 917.855 56 6 3 -4 9970.61 660.183 35 -6 -3 3 3003.74 503.615 56 6 3 -3 2151.34 322.794 35 -6 -3 2 3037.90 496.155 56 -6 -3 2 4339.51 675.249 55 6 3 -2 2981.35 364.222 35 -6 -3 1 2462.30 472.474 56 -6 -3 1 2371.07 522.117 55 6 3 -1 2008.18 299.493 35 -6 -3 0 456.234 204.740 56 -6 -3 0 820.284 315.152 55 6 3 0 633.962 169.026 35 -6 -3 -1 862.404 275.097 56 -6 -3 -1 575.299 269.770 55 6 3 1 623.376 160.093 35 -6 -3 -2 303.644 178.761 56 -6 -3 -2 384.400 209.660 55 6 3 2 493.102 140.474 35 -6 -3 -3 892.587 241.336 56 -6 -3 -3 304.147 177.486 55 6 3 3 999.261 183.340 35 -6 -3 -4 670.228 178.846 56 -6 -3 -4 262.269 156.112 55 6 3 4 733.372 152.046 35 -6 -3 -5 106.437 89.3262 56 6 3 5 280.133 95.0322 35 -6 -3 -6 501.930 145.281 56 6 3 6 624.510 121.896 35 6 4 -10 557.925 103.550 19 6 4 -10 730.349 147.959 35 6 4 -9 2602.83 229.722 19 6 4 -9 2680.26 282.553 35 6 4 -8 1270.08 167.338 19 6 4 -8 1075.38 219.417 20 -6 -4 8 1088.50 320.817 55 6 4 -8 1297.56 209.134 35 6 4 -7 3729.45 405.021 20 -6 -4 7 3433.32 557.128 55 6 4 -7 4580.06 392.810 35 6 4 -6 541.318 192.586 20 -6 -4 6 580.596 272.296 55 6 4 -6 768.962 181.045 35 6 4 -5 633.047 192.456 20 -6 -4 5 797.395 272.329 55 6 4 -5 537.620 153.395 35 -6 -4 4 1492.37 367.555 55 6 4 -4 1328.85 215.512 35 -6 -4 3 603.834 238.787 56 6 4 -3 547.812 146.666 35 -6 -4 2 1482.82 306.939 56 -6 -4 2 2254.59 434.579 55 6 4 -2 1710.13 240.543 35 -6 -4 1 1478.20 319.867 56 -6 -4 1 1817.86 395.277 55 6 4 -1 1773.87 242.207 35 -6 -4 0 2917.61 412.478 56 6 4 0 3747.02 343.660 35 -6 -4 -1 119.848 96.6379 56 -6 -4 -1 317.746 175.683 55 6 4 1 245.567 92.9336 35 -6 -4 -2 74.1045 101.544 56 -6 -4 -2 219.170 136.596 55 6 4 2 171.170 81.4363 35 -6 -4 -3 1135.69 224.556 56 6 4 3 1556.49 196.764 35 -6 -5 7 497.807 184.659 55 6 5 -7 598.644 118.466 35 -6 -5 6 522.426 196.235 55 6 5 -6 836.574 144.411 35 6 5 -6 501.037 96.3966 34 -6 -5 5 1112.40 275.306 55 6 5 -5 1511.99 197.202 35 6 5 -5 1216.21 149.928 34 -6 -5 4 1448.27 318.220 55 6 5 -4 1167.79 170.515 35 -6 -5 3 360.392 184.181 55 6 5 -3 332.885 104.664 35 6 5 -3 431.543 95.6480 34 6 5 -2 679.288 131.695 35 6 5 -2 728.384 120.000 34 6 5 -1 1079.60 158.820 35 6 5 -1 1099.13 141.372 34 -7 3 5 952.743 272.703 28 -7 3 4 5377.08 581.015 28 -7 3 3 2380.95 406.430 28 -7 3 2 3774.34 482.963 28 -7 3 1 773.879 253.136 28 -7 3 0 4113.04 494.853 28 -7 3 -1 4335.02 496.740 28 -7 2 6 6558.13 678.605 28 7 -2 -6 3637.54 262.386 19 -7 2 5 488.209 226.189 28 7 -2 -5 89.0662 52.6781 19 -7 2 4 5846.29 657.691 28 -7 2 3 2730.03 457.621 28 -7 2 2 2199.33 407.383 28 -7 2 1 2915.33 476.851 28 -7 2 0 4678.17 566.301 28 -7 2 -1 974.734 261.506 28 -7 2 -2 500.734 178.848 28 -7 2 -3 1026.83 236.236 28 7 -1 -8 206.515 69.3582 19 -7 1 8 333.596 181.115 26 -7 1 7 2429.78 434.153 26 7 -1 -7 2212.86 204.619 19 -7 1 6 1457.49 324.493 28 -7 1 6 1319.58 315.429 26 7 -1 -6 901.719 141.499 19 -7 1 5 5285.81 601.240 28 -7 1 5 4055.58 524.956 26 -7 1 4 2109.31 390.770 28 -7 1 4 2132.83 410.322 26 -7 1 3 6484.04 682.699 28 -7 1 3 4960.84 583.575 26 -7 1 2 1979.40 438.072 28 -7 1 2 1325.29 311.263 26 -7 1 1 3836.44 522.601 28 -7 1 1 2085.85 378.005 26 -7 1 0 1418.88 326.661 28 -7 1 0 348.974 166.510 26 -7 1 -1 295.676 154.683 28 -7 1 -2 410.522 173.041 28 -7 1 -3 773.208 218.774 28 7 0 -9 218.920 78.4947 19 -7 0 9 467.145 187.282 26 -7 0 8 6407.97 657.281 26 7 0 -8 6995.94 353.764 19 -7 0 7 2991.33 457.411 26 7 0 -7 2908.18 237.647 19 -7 0 6 2090.65 379.163 26 7 0 -6 1940.77 196.507 19 -7 0 5 1820.93 352.115 26 7 0 -5 1054.53 149.972 19 -7 0 4 3166.50 453.598 26 7 0 -4 2214.86 216.137 19 7 0 -3 284.862 86.3267 19 -7 0 3 1486.07 323.425 26 -7 0 2 2761.06 434.632 26 -7 0 1 1115.54 289.010 28 -7 0 0 2666.81 398.015 28 -7 0 -1 1576.99 302.557 28 -7 -1 8 1368.30 330.641 26 7 1 -8 1964.67 183.642 19 7 1 -7 414.428 92.7259 19 -7 -1 7 554.614 206.849 26 7 1 -6 341.204 90.4869 19 -7 -1 6 648.906 228.301 26 -7 -1 5 6862.50 618.090 26 7 1 -5 5888.47 335.599 19 -7 -1 4 3110.45 419.173 26 7 1 -4 1702.48 188.975 19 -7 -1 3 5182.88 537.075 26 7 1 -3 4270.96 287.578 19 -7 -1 2 3496.34 476.813 26 7 1 -2 2215.26 207.251 19 7 1 -1 1638.41 169.712 19 7 1 -1 1387.90 179.899 35 -7 -2 6 2394.49 333.823 26 -7 -2 5 2400.91 334.737 26 -7 -2 4 3254.04 383.725 26 -7 -2 3 1952.33 311.567 26 -7 -2 2 1742.36 294.952 26 -7 -2 1 101.435 68.1522 26 0 0 0 0.00 0.00 0 TITL ZH-A1409 in P-1 REM P-1 (#2 in standard setting) CELL 1.54184 5.990508 8.068353 16.549632 96.0286 98.6273 92.9344 ZERR 3.00 0.000386 0.000520 0.000897 0.0049 0.0049 0.0053 LATT 1 SFAC C H N O UNIT 33.00 30.00 3.00 3.00 TREF HKLF 4 END ; _shelx_hkl_checksum 61660 loop_ _space_group_symop_operation_xyz 'x, y, 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 0.7642(8) 0.8475(7) 0.6868(3) 0.0377(12) Uani 1 1 d . U . . . O2 O 0.5023(8) 0.8160(5) 0.5735(3) 0.0297(10) Uani 1 1 d . . . . . N1 N 0.5856(9) 1.0703(7) 0.6372(3) 0.0251(11) Uani 1 1 d . . . . . H1 H 0.6644 1.1511 0.6684 0.030 Uiso 1 1 calc R U . . . C1 C 0.6308(10) 0.9108(8) 0.6382(4) 0.0238(12) Uani 1 1 d . U . . . C2 C 0.3800(12) 0.9267(8) 0.5226(4) 0.0287(14) Uani 1 1 d . . . . . H2A H 0.2250 0.8824 0.5042 0.034 Uiso 1 1 calc R U . . . H2B H 0.4516 0.9409 0.4747 0.034 Uiso 1 1 calc R U . . . C3 C 0.3867(9) 1.0938(7) 0.5770(3) 0.0183(11) Uani 1 1 d . . . . . C4 C 0.1814(11) 1.1111(9) 0.6190(4) 0.0305(14) Uani 1 1 d . . . . . H4A H 0.1461 1.0084 0.6403 0.046 Uiso 1 1 calc R U . . . H4B H 0.0553 1.1358 0.5800 0.046 Uiso 1 1 calc R U . . . H4C H 0.2118 1.2000 0.6633 0.046 Uiso 1 1 calc R U . . . C5 C 0.4338(10) 1.2480(7) 0.5323(3) 0.0199(11) Uani 1 1 d . . . . . H5A H 0.4624 1.3458 0.5727 0.024 Uiso 1 1 calc R U . . . H5B H 0.5704 1.2332 0.5082 0.024 Uiso 1 1 calc R U . . . C6 C 0.2452(9) 1.2810(7) 0.4653(3) 0.0186(11) Uani 1 1 d . . . . . C7 C 0.2022(9) 1.1520(7) 0.3924(3) 0.0178(11) Uani 1 1 d . . . . . C8 C 0.3596(10) 1.1270(8) 0.3396(3) 0.0234(12) Uani 1 1 d . . . . . H8 H 0.4936 1.1945 0.3487 0.028 Uiso 1 1 calc R U . . . C9 C 0.3204(13) 1.0028(9) 0.2732(4) 0.0344(16) Uani 1 1 d . . . . . H9 H 0.4279 0.9870 0.2385 0.041 Uiso 1 1 calc R U . . . C10 C 0.1187(13) 0.9018(9) 0.2589(4) 0.0368(16) Uani 1 1 d . . . . . H10 H 0.0903 0.8189 0.2144 0.044 Uiso 1 1 calc R U . . . C11 C -0.0372(12) 0.9263(9) 0.3112(4) 0.0330(15) Uani 1 1 d . . . . . H11 H -0.1701 0.8577 0.3026 0.040 Uiso 1 1 calc R U . . . C12 C 0.0007(10) 1.0511(8) 0.3763(4) 0.0236(12) Uani 1 1 d . . . . . H12 H -0.1092 1.0682 0.4099 0.028 Uiso 1 1 calc R U . . . C13 C 0.1261(10) 1.4152(7) 0.4737(3) 0.0224(12) Uani 1 1 d . . . . . H13 H 0.1659 1.4853 0.5226 0.027 Uiso 1 1 calc R U . . . C14 C -0.0622(10) 1.4662(7) 0.4146(3) 0.0193(11) Uani 1 1 d . U . . . C15 C -0.0705(10) 1.4377(8) 0.3300(3) 0.0221(12) Uani 1 1 d . . . . . H15 H 0.0470 1.3871 0.3083 0.027 Uiso 1 1 calc R U . . . C16 C -0.2553(11) 1.4848(8) 0.2773(3) 0.0246(13) Uani 1 1 d . . . . . H16 H -0.2611 1.4643 0.2207 0.030 Uiso 1 1 calc R U . . . C17 C -0.4285(11) 1.5612(8) 0.3088(4) 0.0257(13) Uani 1 1 d . . . . . H17 H -0.5528 1.5900 0.2735 0.031 Uiso 1 1 calc R U . . . C18 C -0.4181(11) 1.5948(8) 0.3920(4) 0.0244(12) Uani 1 1 d . . . . . H18 H -0.5343 1.6483 0.4131 0.029 Uiso 1 1 calc R U . . . C19 C -0.2348(11) 1.5495(8) 0.4454(3) 0.0242(12) Uani 1 1 d . . . . . H19 H -0.2277 1.5751 0.5019 0.029 Uiso 1 1 calc R U . . . O3 O 0.6903(8) 1.3423(6) 0.7596(3) 0.0392(12) Uani 1 1 d . . . . . O4 O 1.0588(7) 1.3544(5) 0.8139(3) 0.0266(9) Uani 1 1 d . U . . . N2 N 0.9163(8) 1.5875(6) 0.7780(3) 0.0189(10) Uani 1 1 d . . . . . H2 H 0.8136 1.6563 0.7676 0.023 Uiso 1 1 calc R U . . . C20 C 0.8730(10) 1.4255(8) 0.7815(4) 0.0215(12) Uani 1 1 d . . . . . C21 C 1.2408(10) 1.4868(7) 0.8387(4) 0.0210(11) Uani 1 1 d . . . . . H21A H 1.3811 1.4513 0.8222 0.025 Uiso 1 1 calc R U . . . H21B H 1.2650 1.5164 0.8979 0.025 Uiso 1 1 calc R U . . . C22 C 1.1585(9) 1.6351(7) 0.7941(3) 0.0169(11) Uani 1 1 d . . . . . C23 C 1.2506(11) 1.6339(9) 0.7131(4) 0.0284(14) Uani 1 1 d . . . . . H23A H 1.2244 1.5240 0.6835 0.043 Uiso 1 1 calc R U . . . H23B H 1.4101 1.6643 0.7240 0.043 Uiso 1 1 calc R U . . . H23C H 1.1752 1.7125 0.6807 0.043 Uiso 1 1 calc R U . . . C24 C 1.2122(9) 1.8090(7) 0.8441(3) 0.0190(11) Uani 1 1 d . . . . . H24A H 1.3712 1.8182 0.8678 0.023 Uiso 1 1 calc R U . . . H24B H 1.1903 1.8927 0.8062 0.023 Uiso 1 1 calc R U . . . C25 C 1.0779(9) 1.8518(7) 0.9122(3) 0.0150(11) Uani 1 1 d . . . . . C26 C 1.1024(9) 1.7471(7) 0.9805(3) 0.0149(10) Uani 1 1 d . . . . . C27 C 1.3145(9) 1.7436(7) 1.0309(3) 0.0185(11) Uani 1 1 d . . . . . H27 H 1.4363 1.8137 1.0237 0.022 Uiso 1 1 calc R U . . . C28 C 1.3412(11) 1.6362(8) 1.0909(3) 0.0253(13) Uani 1 1 d . . . . . H28 H 1.4803 1.6359 1.1244 0.030 Uiso 1 1 calc R U . . . C29 C 1.1623(11) 1.5288(8) 1.1015(4) 0.0283(13) Uani 1 1 d . U . . . H29 H 1.1823 1.4557 1.1415 0.034 Uiso 1 1 calc R U . . . C30 C 0.9533(11) 1.5306(8) 1.0523(4) 0.0254(13) Uani 1 1 d . . . . . H30 H 0.8329 1.4588 1.0592 0.031 Uiso 1 1 calc R U . . . C31 C 0.9247(10) 1.6402(7) 0.9928(3) 0.0216(12) Uani 1 1 d . . . . . H31 H 0.7838 1.6419 0.9606 0.026 Uiso 1 1 calc R U . . . C32 C 0.9434(10) 1.9803(7) 0.9080(3) 0.0216(12) Uani 1 1 d . . . . . H32 H 0.9322 2.0310 0.8598 0.026 Uiso 1 1 calc R U . . . C33 C 0.8121(10) 2.0503(7) 0.9699(3) 0.0186(11) Uani 1 1 d . . . . . C34 C 0.8724(10) 2.0487(7) 1.0550(3) 0.0200(11) Uani 1 1 d . . . . . H34 H 1.0058 2.0023 1.0749 0.024 Uiso 1 1 calc R U . . . C35 C 0.7395(10) 2.1141(8) 1.1099(4) 0.0255(13) Uani 1 1 d . . . . . H35 H 0.7831 2.1106 1.1660 0.031 Uiso 1 1 calc R U . . . C36 C 0.5406(11) 2.1851(7) 1.0817(4) 0.0271(13) Uani 1 1 d . . . . . H36 H 0.4489 2.2277 1.1184 0.032 Uiso 1 1 calc R U . . . C37 C 0.4809(10) 2.1915(8) 0.9978(4) 0.0265(13) Uani 1 1 d . . . . . H37 H 0.3485 2.2397 0.9783 0.032 Uiso 1 1 calc R U . . . C38 C 0.6136(11) 2.1281(8) 0.9435(4) 0.0241(12) Uani 1 1 d . . . . . H38 H 0.5719 2.1366 0.8877 0.029 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 0.034(2) 0.035(3) 0.050(2) 0.029(2) 0.0010(19) 0.016(2) O2 0.046(3) 0.013(2) 0.034(2) 0.0103(17) 0.0081(19) 0.0139(19) N1 0.029(3) 0.019(3) 0.027(2) 0.009(2) -0.0050(19) 0.011(2) C1 0.027(3) 0.017(3) 0.032(3) 0.014(2) 0.008(2) 0.013(2) C2 0.048(4) 0.013(3) 0.025(3) 0.004(2) 0.001(3) 0.013(3) C3 0.024(3) 0.014(3) 0.019(2) 0.007(2) 0.003(2) 0.010(2) C4 0.036(3) 0.027(4) 0.036(3) 0.017(3) 0.017(3) 0.013(3) C5 0.024(3) 0.015(3) 0.024(3) 0.011(2) 0.006(2) 0.009(2) C6 0.026(3) 0.012(3) 0.021(2) 0.008(2) 0.008(2) 0.007(2) C7 0.024(3) 0.011(3) 0.021(2) 0.005(2) 0.007(2) 0.009(2) C8 0.028(3) 0.023(3) 0.025(3) 0.008(2) 0.014(2) 0.009(2) C9 0.046(4) 0.033(4) 0.032(3) 0.008(3) 0.018(3) 0.025(3) C10 0.052(4) 0.027(4) 0.030(3) -0.007(3) 0.000(3) 0.018(3) C11 0.036(4) 0.020(3) 0.041(4) 0.005(3) -0.003(3) 0.005(3) C12 0.021(3) 0.023(3) 0.029(3) 0.007(2) 0.009(2) 0.009(2) C13 0.036(3) 0.013(3) 0.021(2) 0.005(2) 0.006(2) 0.013(2) C14 0.032(3) 0.008(3) 0.022(2) 0.006(2) 0.009(2) 0.010(2) C15 0.030(3) 0.019(3) 0.023(3) 0.007(2) 0.014(2) 0.014(2) C16 0.040(3) 0.018(3) 0.019(2) 0.005(2) 0.008(2) 0.011(3) C17 0.029(3) 0.014(3) 0.035(3) 0.007(2) 0.006(2) 0.007(2) C18 0.027(3) 0.015(3) 0.038(3) 0.009(2) 0.019(2) 0.013(2) C19 0.035(3) 0.020(3) 0.021(3) 0.002(2) 0.013(2) 0.013(3) O3 0.034(3) 0.025(3) 0.058(3) -0.005(2) 0.011(2) -0.007(2) O4 0.032(2) 0.0093(19) 0.042(2) 0.0108(17) 0.0108(17) 0.0082(16) N2 0.016(2) 0.012(2) 0.031(2) 0.0057(19) 0.0055(18) 0.0082(18) C20 0.025(3) 0.016(3) 0.028(3) 0.001(2) 0.016(2) 0.007(2) C21 0.025(3) 0.013(3) 0.027(3) 0.006(2) 0.005(2) 0.010(2) C22 0.017(2) 0.010(3) 0.027(3) 0.009(2) 0.0071(19) 0.004(2) C23 0.035(3) 0.028(4) 0.029(3) 0.008(3) 0.018(2) 0.014(3) C24 0.021(3) 0.013(3) 0.026(3) 0.005(2) 0.011(2) 0.005(2) C25 0.021(2) 0.009(3) 0.018(2) 0.006(2) 0.0094(19) 0.001(2) C26 0.019(2) 0.008(3) 0.020(2) 0.004(2) 0.0096(19) 0.009(2) C27 0.018(3) 0.016(3) 0.022(2) 0.005(2) 0.0040(19) 0.009(2) C28 0.036(3) 0.025(3) 0.019(2) 0.004(2) 0.008(2) 0.021(3) C29 0.042(3) 0.019(3) 0.029(3) 0.013(2) 0.012(2) 0.018(3) C30 0.039(3) 0.013(3) 0.030(3) 0.010(2) 0.018(2) 0.004(2) C31 0.026(3) 0.014(3) 0.027(3) 0.006(2) 0.009(2) 0.005(2) C32 0.030(3) 0.015(3) 0.022(2) 0.004(2) 0.010(2) 0.006(2) C33 0.028(3) 0.009(3) 0.022(2) 0.003(2) 0.010(2) 0.004(2) C34 0.019(3) 0.015(3) 0.027(3) 0.004(2) 0.005(2) 0.010(2) C35 0.034(3) 0.021(3) 0.024(3) 0.006(2) 0.008(2) 0.009(3) C36 0.035(3) 0.008(3) 0.044(3) 0.003(2) 0.020(3) 0.007(2) C37 0.023(3) 0.009(3) 0.049(4) 0.005(2) 0.008(2) 0.007(2) C38 0.033(3) 0.011(3) 0.028(3) 0.005(2) 0.001(2) 0.005(2) loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle_publ_flag C1 O2 C2 108.1(5) . . ? C1 N1 C3 112.8(5) . . ? O1 C1 N1 129.2(6) . . ? O1 C1 O2 120.8(6) . . ? N1 C1 O2 110.0(5) . . ? O2 C2 C3 105.8(4) . . ? N1 C3 C4 110.1(5) . . ? N1 C3 C2 98.1(5) . . ? C4 C3 C2 112.9(5) . . ? N1 C3 C5 109.7(5) . . ? C4 C3 C5 111.6(5) . . ? C2 C3 C5 113.6(4) . . ? C6 C5 C3 115.0(5) . . ? C13 C6 C7 123.8(5) . . ? C13 C6 C5 121.0(5) . . ? C7 C6 C5 115.2(5) . . ? C8 C7 C12 118.3(5) . . ? C8 C7 C6 121.6(5) . . ? C12 C7 C6 120.1(5) . . ? C7 C8 C9 121.1(6) . . ? C8 C9 C10 119.7(6) . . ? C11 C10 C9 119.3(6) . . ? C10 C11 C12 120.9(6) . . ? C11 C12 C7 120.7(6) . . ? C6 C13 C14 127.9(5) . . ? C15 C14 C19 118.7(5) . . ? C15 C14 C13 122.7(5) . . ? C19 C14 C13 118.5(5) . . ? C14 C15 C16 120.1(5) . . ? C17 C16 C15 120.4(5) . . ? C18 C17 C16 120.0(6) . . ? C17 C18 C19 120.5(6) . . ? C18 C19 C14 120.3(5) . . ? C20 O4 C21 107.7(4) . . ? C20 N2 C22 112.1(5) . . ? O3 C20 N2 127.8(6) . . ? O3 C20 O4 121.0(6) . . ? N2 C20 O4 111.3(5) . . ? O4 C21 C22 104.9(4) . . ? N2 C22 C23 109.9(5) . . ? N2 C22 C21 99.1(4) . . ? C23 C22 C21 110.1(5) . . ? N2 C22 C24 112.1(5) . . ? C23 C22 C24 109.7(5) . . ? C21 C22 C24 115.6(5) . . ? C25 C24 C22 117.2(4) . . ? C32 C25 C26 123.8(5) . . ? C32 C25 C24 119.4(5) . . ? C26 C25 C24 116.8(5) . . ? C31 C26 C27 118.4(5) . . ? C31 C26 C25 121.2(5) . . ? C27 C26 C25 120.2(5) . . ? C28 C27 C26 120.1(5) . . ? C27 C28 C29 120.6(6) . . ? C28 C29 C30 119.9(5) . . ? C31 C30 C29 119.7(5) . . ? C26 C31 C30 121.3(6) . . ? C25 C32 C33 128.2(5) . . ? C34 C33 C38 116.6(5) . . ? C34 C33 C32 124.6(5) . . ? C38 C33 C32 118.8(5) . . ? C35 C34 C33 121.8(5) . . ? C34 C35 C36 120.1(5) . . ? C35 C36 C37 118.9(6) . . ? C38 C37 C36 120.9(6) . . ? C37 C38 C33 121.6(5) . . ? loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag O1 C1 1.217(7) . ? O2 C1 1.359(8) . ? O2 C2 1.443(7) . ? N1 C1 1.330(8) . ? N1 C3 1.468(7) . ? C2 C3 1.536(8) . ? C3 C4 1.506(8) . ? C3 C5 1.547(7) . ? C5 C6 1.514(7) . ? C6 C13 1.333(8) . ? C6 C7 1.491(8) . ? C7 C8 1.386(7) . ? C7 C12 1.396(8) . ? C8 C9 1.391(9) . ? C9 C10 1.397(11) . ? C10 C11 1.374(10) . ? C11 C12 1.380(9) . ? C13 C14 1.483(8) . ? C14 C15 1.388(7) . ? C14 C19 1.393(8) . ? C15 C16 1.397(8) . ? C16 C17 1.374(9) . ? C17 C18 1.366(9) . ? C18 C19 1.392(9) . ? O3 C20 1.239(8) . ? O4 C20 1.344(7) . ? O4 C21 1.467(7) . ? N2 C20 1.328(8) . ? N2 C22 1.459(7) . ? C21 C22 1.536(8) . ? C22 C23 1.523(7) . ? C22 C24 1.545(8) . ? C24 C25 1.502(7) . ? C25 C32 1.346(8) . ? C25 C26 1.475(7) . ? C26 C31 1.388(8) . ? C26 C27 1.415(7) . ? C27 C28 1.381(8) . ? C28 C29 1.386(9) . ? C29 C30 1.389(9) . ? C30 C31 1.389(8) . ? C32 C33 1.466(7) . ? C33 C34 1.402(7) . ? C33 C38 1.406(9) . ? C34 C35 1.378(8) . ? C35 C36 1.387(9) . ? C36 C37 1.388(10) . ? C37 C38 1.364(9) . ?