#------------------------------------------------------------------------------ #$Date: 2019-11-17 15:15:56 +0200 (Sun, 17 Nov 2019) $ #$Revision: 230794 $ #$URL: file:///home/coder/svn-repositories/cod/cif/7/15/60/7156023.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_7156023 loop_ _publ_author_name 'Samanta, Sadhanendu' 'Mondal, Susmita' 'Hajra, Alakananda' _publ_section_title ; A convergent synthesis of vinyloxyimidazopyridine via Cu(i)-catalyzed three-component coupling. ; _journal_issue 7 _journal_name_full 'Organic & biomolecular chemistry' _journal_page_first 1088 _journal_page_last 1092 _journal_paper_doi 10.1039/c7ob02883k _journal_volume 16 _journal_year 2018 _chemical_formula_moiety 'C18 H16 N2 O3' _chemical_formula_sum 'C18 H16 N2 O3' _chemical_formula_weight 308.33 _chemical_name_common vbchem162_0m_a _space_group_crystal_system triclinic _space_group_IT_number 2 _space_group_name_Hall '-P 1' _space_group_name_H-M_alt 'P -1' _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _atom_sites_solution_hydrogens geom _audit_creation_method SHELXL-2014/7 _cell_angle_alpha 98.745(2) _cell_angle_beta 102.654(2) _cell_angle_gamma 102.432(2) _cell_formula_units_Z 2 _cell_length_a 8.2376(4) _cell_length_b 8.7359(4) _cell_length_c 11.8649(6) _cell_measurement_reflns_used 2996 _cell_measurement_temperature 296(2) _cell_measurement_theta_max 28.614 _cell_measurement_theta_min 2.441 _cell_volume 795.58(7) _computing_structure_refinement 'SHELXL-2014/7 (Sheldrick, 2014)' _diffrn_ambient_temperature 296(2) _diffrn_measured_fraction_theta_full 0.999 _diffrn_measured_fraction_theta_max 0.995 _diffrn_measurement_device_type char _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0650 _diffrn_reflns_av_unetI/netI 0.0419 _diffrn_reflns_Laue_measured_fraction_full 0.999 _diffrn_reflns_Laue_measured_fraction_max 0.995 _diffrn_reflns_limit_h_max 11 _diffrn_reflns_limit_h_min -11 _diffrn_reflns_limit_k_max 11 _diffrn_reflns_limit_k_min -11 _diffrn_reflns_limit_l_max 15 _diffrn_reflns_limit_l_min -15 _diffrn_reflns_number 24863 _diffrn_reflns_point_group_measured_fraction_full 0.999 _diffrn_reflns_point_group_measured_fraction_max 0.995 _diffrn_reflns_theta_full 25.242 _diffrn_reflns_theta_max 28.614 _diffrn_reflns_theta_min 2.441 _exptl_absorpt_coefficient_mu 0.089 _exptl_crystal_density_diffrn 1.287 _exptl_crystal_description vbchem162_0m_a _exptl_crystal_F_000 324 _refine_diff_density_max 0.298 _refine_diff_density_min -0.433 _refine_diff_density_rms 0.076 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.158 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 210 _refine_ls_number_reflns 4065 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 1.158 _refine_ls_R_factor_all 0.0913 _refine_ls_R_factor_gt 0.0670 _refine_ls_shift/su_max 0.013 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.1000P)^2^+0.2595P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.1789 _refine_ls_wR_factor_ref 0.2103 _reflns_Friedel_coverage 0.000 _reflns_number_gt 2996 _reflns_number_total 4065 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file c7ob02883k4.cif _cod_data_source_block vbchem162_0m_a _cod_depositor_comments 'Adding full bibliography for 7156023--7156024.cif.' _cod_database_code 7156023 _shelx_shelxl_version_number 2014/7 _shelx_space_group_comment ; The symmetry employed for this shelxl refinement is uniquely defined by the following loop, which should always be used as a source of symmetry information in preference to the above space-group names. They are only intended as comments. ; _shelx_res_file ; vbchem162_0m_a.res created by SHELXL-2014/7 TITL vbchem162_0m_a.res in P-1 CELL 0.71073 8.2376 8.7359 11.8649 98.745 102.654 102.432 ZERR 2.000 0.0004 0.0004 0.0006 0.002 0.002 0.002 LATT 1 SFAC C H N O UNIT 36 32 4 6 REM Old TITL vbchem162_0m in P-1 REM SHELXT solution in P-1 REM R1 0.166, Rweak 0.003, Alpha 0.026, Orientation as input REM Formula found by SHELXT: C18 N2 O3 L.S. 10 ACTA BOND $H FMAP 2 PLAN 20 TEMP 23.000 WGHT 0.100000 0.259540 FVAR 0.85791 O1 4 0.258316 0.186530 0.295325 11.00000 0.03833 0.04355 = 0.04792 -0.00179 -0.00095 0.00710 O2 4 -0.239082 0.053163 0.067089 11.00000 0.04155 0.06056 = 0.04975 0.00550 -0.00094 0.01228 O3 4 -0.012960 -0.040628 0.133730 11.00000 0.05116 0.04501 = 0.08433 0.00900 -0.00790 0.01002 N2 3 0.630432 0.333388 0.543862 11.00000 0.03547 0.03818 = 0.03834 0.01287 0.00835 0.01070 N1 3 0.369430 0.160992 0.489247 11.00000 0.03994 0.03048 = 0.04852 0.00861 0.01462 0.00737 C8 1 0.637462 0.434559 0.360531 11.00000 0.03642 0.03174 = 0.03758 0.00983 0.00779 0.00920 C17 1 -0.079182 0.068664 0.133430 11.00000 0.03582 0.04929 = 0.04094 0.01535 0.00557 0.00737 C7 1 0.549542 0.338013 0.429761 11.00000 0.03519 0.03061 = 0.03735 0.00811 0.00704 0.00809 C14 1 0.388352 0.234390 0.397432 11.00000 0.03752 0.03369 = 0.04057 0.00425 0.00534 0.00729 C6 1 0.521726 0.226137 0.578173 11.00000 0.03934 0.03385 = 0.04388 0.01158 0.01422 0.01348 C9 1 0.805924 0.526259 0.408985 11.00000 0.03857 0.05044 = 0.04218 0.01138 0.00586 0.00501 AFIX 43 H9 2 0.860397 0.526802 0.486537 11.00000 -1.20000 AFIX 0 C16 1 -0.004698 0.232237 0.202361 11.00000 0.04753 0.04722 = 0.04951 0.01130 0.00343 0.01623 AFIX 43 H16 2 -0.070349 0.305747 0.191786 11.00000 -1.20000 AFIX 0 C15 1 0.148719 0.283991 0.278606 11.00000 0.04625 0.03700 = 0.04359 0.00738 0.00702 0.00734 AFIX 43 H15 2 0.183139 0.388867 0.321900 11.00000 -1.20000 AFIX 0 C2 1 0.538903 0.170079 0.684559 11.00000 0.05603 0.05100 = 0.05179 0.02376 0.02539 0.02509 C5 1 0.236664 0.041767 0.498444 11.00000 0.04671 0.03698 = 0.07180 0.00930 0.02368 0.00546 AFIX 43 H5 2 0.137007 0.000781 0.437050 11.00000 -1.20000 AFIX 0 C10 1 0.894368 0.616237 0.345481 11.00000 0.04172 0.05386 = 0.06022 0.01837 0.01235 0.00199 AFIX 43 H10 2 1.006970 0.676723 0.380280 11.00000 -1.20000 AFIX 0 C13 1 0.561470 0.436674 0.244513 11.00000 0.04808 0.06567 = 0.04630 0.02270 -0.00180 -0.00118 AFIX 43 H13 2 0.449094 0.376205 0.208850 11.00000 -1.20000 AFIX 0 C18 1 -0.322981 -0.101415 -0.007425 11.00000 0.04562 0.06691 = 0.05987 -0.00036 -0.00049 0.00439 AFIX 137 H18A 2 -0.260348 -0.123581 -0.064671 11.00000 -1.50000 H18B 2 -0.438196 -0.102750 -0.047303 11.00000 -1.50000 H18C 2 -0.326650 -0.181552 0.039740 11.00000 -1.50000 AFIX 0 C3 1 0.405792 0.050404 0.691830 11.00000 0.07216 0.05515 = 0.06915 0.03187 0.04073 0.02645 AFIX 43 H3 2 0.415278 0.010238 0.760549 11.00000 -1.20000 AFIX 0 C4 1 0.255269 -0.013843 0.598979 11.00000 0.06311 0.04745 = 0.08299 0.02302 0.03875 0.01104 AFIX 43 H4 2 0.167970 -0.095369 0.607161 11.00000 -1.20000 AFIX 0 C11 1 0.816637 0.616895 0.230740 11.00000 0.05883 0.05730 = 0.06616 0.03342 0.01981 0.01118 AFIX 43 H11 2 0.875879 0.677207 0.187215 11.00000 -1.20000 AFIX 0 C12 1 0.650831 0.527538 0.181459 11.00000 0.06488 0.08833 = 0.05455 0.03982 0.00275 0.00626 AFIX 43 H12 2 0.597280 0.528036 0.103937 11.00000 -1.20000 AFIX 0 C1 1 0.700092 0.242021 0.781406 11.00000 0.06485 0.09138 = 0.05492 0.03756 0.01326 0.02621 AFIX 137 H1A 2 0.685542 0.207187 0.852337 11.00000 -1.50000 H1B 2 0.724156 0.356779 0.795014 11.00000 -1.50000 H1C 2 0.794176 0.208334 0.759110 11.00000 -1.50000 AFIX 0 HKLF 4 REM vbchem162_0m_a.res in P-1 REM R1 = 0.0670 for 2996 Fo > 4sig(Fo) and 0.0913 for all 4065 data REM 210 parameters refined using 0 restraints END WGHT 0.0969 0.4375 REM Highest difference peak 0.298, deepest hole -0.433, 1-sigma level 0.076 Q1 1 0.7484 0.4379 0.3651 11.00000 0.05 0.30 Q2 1 -0.4413 -0.1235 0.0034 11.00000 0.05 0.27 Q3 1 0.4280 0.3276 0.4238 11.00000 0.05 0.27 Q4 1 0.7478 0.1135 0.7796 11.00000 0.05 0.26 Q5 1 0.7037 0.5139 0.4010 11.00000 0.05 0.24 Q6 1 -0.3473 -0.0705 -0.0978 11.00000 0.05 0.23 Q7 1 -0.6225 -0.2435 -0.0638 11.00000 0.05 0.23 Q8 1 0.7934 0.3214 0.7451 11.00000 0.05 0.22 Q9 1 0.7392 0.3238 0.5398 11.00000 0.05 0.22 Q10 1 -0.2560 -0.1810 -0.0219 11.00000 0.05 0.22 Q11 1 0.4909 0.2445 0.3984 11.00000 0.05 0.22 Q12 1 -0.0377 -0.0234 0.2014 11.00000 0.05 0.21 Q13 1 0.6606 0.3690 0.8404 11.00000 0.05 0.21 Q14 1 0.7203 0.6014 0.2212 11.00000 0.05 0.21 Q15 1 0.2386 0.3965 0.3047 11.00000 0.05 0.21 Q16 1 0.7058 0.2376 0.5227 11.00000 0.05 0.21 Q17 1 0.0322 0.2413 0.2663 11.00000 0.05 0.20 Q18 1 -0.0342 0.1606 0.1663 11.00000 0.05 0.20 Q19 1 0.3903 0.4965 0.2783 11.00000 0.05 0.20 Q20 1 -0.1044 0.2646 0.2197 11.00000 0.05 0.20 ; _shelx_res_checksum 79067 _shelx_hkl_file ; 2 0 0 176.58 13.30 2 0 0 185.58 13.40 2 0 0 164.18 13.20 2 0 0 183.78 13.20 2 0 0 182.68 13.30 2 0 0 178.78 13.20 2 0 0 172.08 13.30 2 0 0 187.78 13.20 2 0 0 157.88 13.30 -3 0 0 191.88 14.10 -3 0 0 171.48 14.10 -3 0 0 200.58 14.00 -3 0 0 175.48 14.00 -3 0 0 199.38 14.20 3 0 0 198.08 14.20 3 0 0 166.48 14.10 3 0 0 192.68 14.00 3 0 0 182.78 14.10 3 0 0 180.38 14.10 3 0 0 186.68 14.00 3 0 0 198.68 14.00 3 0 0 175.78 14.00 3 0 0 191.18 14.10 -4 0 0 17.20 1.70 -4 0 0 16.60 1.40 -4 0 0 16.40 1.50 -4 0 0 17.40 1.40 -4 0 0 14.20 1.60 4 0 0 17.60 1.70 4 0 0 15.80 1.50 4 0 0 16.30 1.50 4 0 0 18.40 1.40 4 0 0 16.30 1.60 4 0 0 16.70 1.40 4 0 0 17.30 1.40 4 0 0 15.70 1.40 4 0 0 12.60 1.60 -5 0 0 149.88 11.70 -5 0 0 133.69 11.80 -5 0 0 160.78 11.60 -5 0 0 157.18 11.90 -5 0 0 156.38 11.60 5 0 0 159.28 11.60 5 0 0 144.69 11.70 5 0 0 156.58 11.90 5 0 0 156.68 11.80 5 0 0 150.48 11.60 5 0 0 147.79 11.80 5 0 0 150.78 11.80 5 0 0 161.58 11.70 5 0 0 158.38 11.60 -6 0 0 2.20 0.60 -6 0 0 2.60 0.50 -6 0 0 3.00 0.70 -6 0 0 2.50 0.80 -6 0 0 2.90 0.50 -6 0 0 3.10 0.80 6 0 0 2.20 0.50 6 0 0 1.70 0.70 6 0 0 2.40 0.60 6 0 0 2.50 0.50 6 0 0 2.50 0.60 6 0 0 1.80 0.90 6 0 0 2.50 0.70 6 0 0 1.80 0.70 6 0 0 1.70 0.80 -7 0 0 4.10 0.90 -7 0 0 7.20 0.90 -7 0 0 4.50 1.20 7 0 0 3.80 1.00 7 0 0 5.50 1.30 7 0 0 5.60 0.80 7 0 0 3.60 0.90 7 0 0 6.70 1.20 7 0 0 4.40 0.90 -8 0 0 44.60 4.10 -8 0 0 39.60 4.10 -8 0 0 41.80 3.90 8 0 0 45.70 3.80 8 0 0 48.00 4.30 8 0 0 43.40 4.10 8 0 0 44.00 4.00 -9 0 0 2.40 1.20 -9 0 0 3.00 0.90 -9 0 0 1.70 1.00 9 0 0 4.40 1.10 9 0 0 3.30 1.30 9 0 0 2.40 1.00 9 0 0 3.10 0.90 -10 0 0 3.40 1.30 -10 0 0 3.50 1.10 -10 0 0 3.50 1.10 10 0 0 2.50 1.10 10 0 0 4.50 1.80 10 0 0 3.20 1.40 10 -1 0 0.40 1.00 10 -1 0 -0.30 0.90 -10 1 0 -0.40 0.90 -10 1 0 -0.70 0.90 9 -1 0 0.40 0.70 9 -1 0 1.20 1.00 9 -1 0 0.00 0.90 9 -1 0 -0.70 0.80 -9 1 0 -1.60 0.80 -9 1 0 0.80 0.70 -9 1 0 0.50 0.70 -9 1 0 -0.20 0.80 8 -1 0 102.79 8.20 8 -1 0 107.09 7.90 8 -1 0 98.59 8.20 8 -1 0 108.09 8.00 8 -1 0 102.19 8.10 -8 1 0 86.49 8.00 -8 1 0 100.69 7.90 -8 1 0 102.39 7.90 -8 1 0 98.99 8.10 -8 1 0 92.29 8.00 7 -1 0 30.00 2.80 7 -1 0 28.90 2.60 7 -1 0 28.60 2.80 7 -1 0 30.70 2.70 7 -1 0 30.30 2.40 7 -1 0 29.00 2.70 7 -1 0 30.70 3.50 7 -1 0 27.80 2.60 7 -1 0 27.40 2.80 -7 1 0 30.20 2.40 -7 1 0 28.20 2.70 -7 1 0 25.50 2.70 -7 1 0 26.10 2.50 -7 1 0 29.60 2.50 -7 1 0 29.20 2.60 -7 1 0 30.00 3.10 -7 1 0 26.30 2.70 6 -1 0 13.80 1.50 6 -1 0 13.30 1.90 6 -1 0 12.60 1.30 6 -1 0 12.10 1.60 6 -1 0 14.10 1.20 6 -1 0 13.40 1.50 6 -1 0 14.00 1.60 6 -1 0 11.10 1.50 6 -1 0 13.30 1.30 -6 1 0 14.00 1.20 -6 1 0 13.40 1.50 -6 1 0 13.70 1.60 -6 1 0 12.80 1.30 -6 1 0 10.10 1.40 -6 1 0 12.80 1.50 -6 1 0 13.80 1.80 5 -1 0 151.88 11.20 5 -1 0 138.59 11.00 5 -1 0 152.78 10.70 5 -1 0 131.59 10.90 5 -1 0 151.78 10.90 5 -1 0 138.59 10.80 5 -1 0 147.09 10.90 5 -1 0 136.79 10.80 5 -1 0 142.49 10.90 -5 1 0 157.58 10.70 -5 1 0 135.39 10.90 -5 1 0 147.69 11.20 -5 1 0 147.69 10.90 -5 1 0 128.09 10.90 -5 1 0 126.29 10.80 4 -1 0 907.91 64.69 4 -1 0 822.92 64.49 4 -1 0 941.21 64.39 4 -1 0 788.12 64.49 4 -1 0 837.72 64.39 4 -1 0 927.91 64.39 4 -1 0 850.81 64.49 4 -1 0 794.92 64.39 4 -1 0 871.01 64.39 -4 1 0 881.61 64.39 -4 1 0 803.92 64.39 -4 1 0 802.02 64.49 -4 1 0 897.71 64.69 -4 1 0 932.21 64.49 3 -1 0 92.79 6.40 3 -1 0 81.69 6.50 3 -1 0 84.59 6.50 3 -1 0 84.29 6.50 3 -1 0 92.79 6.70 3 -1 0 75.39 6.50 3 -1 0 85.99 6.50 3 -1 0 78.19 6.60 3 -1 0 92.29 6.50 -3 1 0 91.49 6.50 -3 1 0 89.29 6.70 -3 1 0 79.49 6.50 -3 1 0 76.59 6.50 2 -1 0 57.59 4.40 2 -1 0 56.39 4.40 2 -1 0 50.39 4.40 2 -1 0 52.89 4.40 2 -1 0 64.19 4.30 2 -1 0 55.39 4.40 2 -1 0 58.49 4.40 2 -1 0 62.69 4.60 -2 1 0 57.69 4.50 1 -1 0 494.15 37.20 1 -1 0 481.25 37.10 0 1 0 532.85 40.10 -1 -1 0 22.60 1.60 1 1 0 15.50 1.60 -2 -1 0 481.75 36.50 -2 -1 0 457.95 36.50 2 1 0 457.95 36.60 2 1 0 471.55 36.60 2 1 0 473.05 36.60 2 1 0 517.95 36.50 2 1 0 482.35 36.50 2 1 0 559.74 36.60 2 1 0 490.15 36.50 -3 -1 0 449.16 34.20 -3 -1 0 484.65 34.10 -3 -1 0 488.05 34.20 3 1 0 424.56 34.20 3 1 0 477.65 34.20 3 1 0 460.05 34.10 3 1 0 423.56 34.10 3 1 0 452.65 34.20 3 1 0 432.86 34.10 3 1 0 437.96 34.30 3 1 0 484.95 34.10 -4 -1 0 599.54 41.60 -4 -1 0 549.25 41.80 -4 -1 0 479.05 41.60 -4 -1 0 503.15 41.80 -4 -1 0 579.54 41.60 4 1 0 532.05 41.80 4 1 0 596.64 41.60 4 1 0 606.74 41.70 4 1 0 534.15 41.60 4 1 0 571.64 41.80 4 1 0 540.95 41.90 4 1 0 542.85 41.70 4 1 0 561.34 41.80 4 1 0 593.04 41.60 -5 -1 0 61.49 5.70 -5 -1 0 74.19 5.50 -5 -1 0 72.09 5.70 -5 -1 0 74.69 5.40 -5 -1 0 68.69 5.60 -5 -1 0 63.49 5.50 5 1 0 67.99 5.80 5 1 0 67.99 5.60 5 1 0 71.39 5.50 5 1 0 74.19 5.40 5 1 0 71.49 5.70 5 1 0 69.09 5.70 5 1 0 77.89 5.50 5 1 0 72.89 5.70 5 1 0 72.09 5.50 -6 -1 0 134.39 10.90 -6 -1 0 144.59 10.70 -6 -1 0 127.69 11.00 6 1 0 140.59 10.70 6 1 0 134.09 11.00 6 1 0 140.89 10.80 6 1 0 146.99 11.00 6 1 0 136.69 11.10 6 1 0 157.08 10.80 -7 -1 0 42.00 3.30 -7 -1 0 41.40 3.60 -7 -1 0 35.40 3.70 7 1 0 37.30 3.80 7 1 0 43.80 3.50 7 1 0 39.80 3.70 7 1 0 40.50 3.70 -8 -1 0 0.00 0.60 -8 -1 0 0.90 0.80 -8 -1 0 -0.50 1.00 8 1 0 -0.10 0.80 8 1 0 0.90 1.00 8 1 0 -0.20 0.70 8 1 0 0.60 0.80 -9 -1 0 0.80 0.80 -9 -1 0 0.10 0.90 -9 -1 0 -0.40 0.80 9 1 0 -0.20 0.80 9 1 0 -0.60 1.00 9 1 0 1.30 0.90 9 1 0 0.30 0.80 -10 -1 0 1.10 1.10 -10 -1 0 1.00 1.00 -10 -1 0 1.90 1.00 10 1 0 0.80 1.20 10 1 0 1.70 1.00 10 1 0 1.10 1.10 10 -2 0 -1.10 1.00 -10 2 0 -0.50 0.90 -10 2 0 0.40 1.30 9 -2 0 50.69 4.80 9 -2 0 52.49 4.70 9 -2 0 58.69 4.60 9 -2 0 61.19 4.80 -9 2 0 45.40 4.60 -9 2 0 52.29 4.70 -9 2 0 51.79 4.50 -9 2 0 55.29 4.50 8 -2 0 0.60 0.90 8 -2 0 0.20 0.60 8 -2 0 -1.00 0.70 8 -2 0 0.00 0.70 8 -2 0 0.80 0.90 -8 2 0 0.10 0.70 -8 2 0 0.20 0.70 -8 2 0 0.10 0.60 -8 2 0 -0.10 0.70 -8 2 0 0.60 0.80 -8 2 0 0.10 0.80 7 -2 0 45.80 3.70 7 -2 0 40.00 3.50 7 -2 0 43.70 3.90 7 -2 0 44.50 3.60 7 -2 0 43.20 3.40 7 -2 0 39.30 3.80 7 -2 0 44.60 3.70 7 -2 0 45.50 3.80 7 -2 0 47.00 4.30 -7 2 0 45.20 3.80 -7 2 0 45.70 3.40 -7 2 0 40.70 3.60 -7 2 0 40.20 3.50 -7 2 0 45.80 4.20 -7 2 0 39.50 3.70 -7 2 0 40.80 3.60 -7 2 0 42.10 3.60 6 -2 0 -0.40 0.40 6 -2 0 0.00 0.30 6 -2 0 -0.60 0.50 6 -2 0 -0.40 0.50 6 -2 0 0.00 0.80 6 -2 0 0.20 0.70 6 -2 0 0.00 0.40 6 -2 0 0.20 0.40 6 -2 0 -0.40 0.50 -6 2 0 -0.10 0.40 -6 2 0 -0.20 0.70 -6 2 0 0.10 0.40 -6 2 0 0.20 0.30 -6 2 0 -0.20 0.50 -6 2 0 0.10 0.50 5 -2 0 44.20 3.50 5 -2 0 41.10 3.50 5 -2 0 40.10 3.70 5 -2 0 39.30 3.50 5 -2 0 43.60 3.60 5 -2 0 46.60 4.00 5 -2 0 45.80 3.40 5 -2 0 45.20 3.50 -5 2 0 44.30 3.40 -5 2 0 50.39 3.50 -5 2 0 41.60 3.50 -5 2 0 40.00 3.50 -5 2 0 43.90 3.90 -5 2 0 40.10 3.50 4 -2 0 85.49 6.60 4 -2 0 90.69 6.90 4 -2 0 97.59 6.50 4 -2 0 73.69 6.50 4 -2 0 84.39 6.50 4 -2 0 78.59 6.60 4 -2 0 84.39 6.50 4 -2 0 84.79 6.50 4 -2 0 91.89 6.40 -4 2 0 77.39 6.50 -4 2 0 90.99 6.90 -4 2 0 83.39 6.50 -4 2 0 78.69 6.50 -4 2 0 84.19 6.50 3 -2 0 75.59 5.80 3 -2 0 83.69 6.00 3 -2 0 75.29 5.90 3 -2 0 85.99 6.20 3 -2 0 66.19 5.90 3 -2 0 80.49 5.90 3 -2 0 78.49 5.90 3 -2 0 78.99 5.90 -3 2 0 74.39 5.90 -3 2 0 67.49 5.80 -3 2 0 76.79 5.90 -3 2 0 80.19 6.20 -3 2 0 76.89 5.80 2 -2 0 4294.17 351.06 2 -2 0 5258.47 352.56 2 -2 0 4516.85 351.46 2 -2 0 5295.97 354.76 2 -2 0 4057.49 350.36 2 -2 0 4578.84 350.86 -2 2 0 4535.25 350.86 -2 2 0 5073.99 352.46 1 -2 0 632.64 47.40 1 -2 0 648.34 47.70 -1 2 0 568.84 47.60 -1 2 0 689.93 47.40 0 -2 0 134.09 9.90 0 -2 0 128.99 9.90 0 2 0 137.29 10.00 0 2 0 127.09 9.90 0 2 0 131.19 9.90 -1 -2 0 20.60 1.50 -1 -2 0 19.90 1.60 1 2 0 18.50 1.50 1 2 0 14.90 1.50 1 2 0 16.40 1.50 1 2 0 17.40 1.50 1 2 0 21.30 1.40 -2 -2 0 1051.79 75.89 -2 -2 0 1061.29 76.19 -2 -2 0 1031.70 75.99 2 2 0 985.40 76.09 2 2 0 993.10 75.99 2 2 0 944.71 75.99 2 2 0 1048.70 76.39 -3 -2 0 23.10 1.80 -3 -2 0 21.10 1.80 -3 -2 0 19.50 1.90 3 2 0 18.70 1.90 3 2 0 19.50 1.90 3 2 0 23.20 1.80 3 2 0 25.20 1.80 3 2 0 18.80 2.00 -4 -2 0 -0.20 0.40 -4 -2 0 0.70 0.30 -4 -2 0 -0.10 0.30 4 2 0 0.50 0.30 4 2 0 -0.10 0.40 4 2 0 -0.20 0.30 4 2 0 0.20 0.30 4 2 0 -0.30 0.50 4 2 0 -0.10 0.40 -5 -2 0 44.70 3.90 -5 -2 0 51.59 3.70 -5 -2 0 42.80 4.00 -5 -2 0 47.50 3.70 5 2 0 41.30 3.90 5 2 0 45.20 3.80 5 2 0 47.80 4.00 5 2 0 43.10 4.10 5 2 0 53.39 3.80 -6 -2 0 67.89 5.50 -6 -2 0 74.09 5.30 -6 -2 0 58.09 5.60 6 2 0 62.39 5.50 6 2 0 62.99 5.70 6 2 0 67.79 5.30 6 2 0 68.49 5.50 -7 -2 0 3.60 0.80 -7 -2 0 4.10 1.00 -7 -2 0 2.50 1.10 7 2 0 3.50 1.00 7 2 0 3.90 0.90 7 2 0 4.30 1.10 7 2 0 3.10 1.30 -8 -2 0 12.60 1.80 -8 -2 0 8.70 1.70 -8 -2 0 11.10 1.30 8 2 0 7.90 1.50 8 2 0 9.50 1.80 8 2 0 9.80 1.80 8 2 0 11.40 1.60 -9 -2 0 0.10 1.00 -9 -2 0 1.20 1.00 9 2 0 0.10 0.90 9 2 0 1.30 1.00 9 2 0 0.00 1.10 10 -3 0 2.00 1.00 -10 3 0 0.50 1.10 -10 3 0 2.00 0.90 9 -3 0 -0.70 1.00 9 -3 0 -0.30 0.90 9 -3 0 -0.30 0.80 9 -3 0 -0.50 0.80 -9 3 0 -0.70 0.70 -9 3 0 1.70 0.90 -9 3 0 0.90 0.80 -9 3 0 -0.50 0.80 8 -3 0 -1.20 0.60 8 -3 0 -1.90 0.80 8 -3 0 -0.80 0.60 8 -3 0 -0.40 0.70 8 -3 0 1.00 1.10 8 -3 0 -0.20 0.90 -8 3 0 -0.30 0.60 -8 3 0 0.50 1.00 -8 3 0 -0.70 0.70 -8 3 0 -1.10 0.60 -8 3 0 -1.70 0.80 7 -3 0 119.89 9.70 7 -3 0 107.99 9.40 7 -3 0 123.19 9.20 7 -3 0 125.69 10.10 7 -3 0 124.99 9.40 7 -3 0 118.39 9.50 7 -3 0 123.89 9.50 7 -3 0 123.69 9.50 -7 3 0 123.59 9.30 -7 3 0 123.19 10.00 -7 3 0 117.79 9.40 -7 3 0 130.79 9.20 -7 3 0 118.29 9.50 -7 3 0 113.09 9.40 6 -3 0 52.39 4.70 6 -3 0 57.59 4.50 6 -3 0 56.39 4.50 6 -3 0 61.49 4.40 6 -3 0 47.50 4.40 6 -3 0 51.99 4.50 6 -3 0 57.79 4.40 6 -3 0 56.49 4.30 6 -3 0 58.29 5.10 -6 3 0 58.59 4.40 -6 3 0 48.10 4.40 -6 3 0 56.59 5.00 -6 3 0 55.49 4.40 -6 3 0 52.69 4.50 -6 3 0 52.89 4.40 5 -3 0 2.20 0.50 5 -3 0 2.30 0.40 5 -3 0 1.40 0.50 5 -3 0 2.20 0.60 5 -3 0 1.90 0.50 5 -3 0 2.60 0.50 5 -3 0 1.50 0.70 5 -3 0 2.50 0.40 5 -3 0 1.80 1.00 -5 3 0 2.10 0.50 -5 3 0 2.50 0.50 -5 3 0 1.80 0.50 -5 3 0 1.20 0.90 -5 3 0 1.90 0.40 -5 3 0 3.00 0.50 4 -3 0 11.00 1.10 4 -3 0 11.10 1.40 4 -3 0 13.40 1.30 4 -3 0 13.50 1.20 4 -3 0 13.30 1.80 4 -3 0 12.80 1.20 4 -3 0 13.60 1.20 4 -3 0 10.80 1.30 4 -3 0 14.30 1.10 -4 3 0 11.80 1.20 -4 3 0 12.10 1.70 -4 3 0 11.60 1.10 -4 3 0 13.80 1.20 -4 3 0 11.30 1.10 3 -3 0 59.69 4.50 3 -3 0 59.39 4.10 3 -3 0 49.30 4.00 3 -3 0 45.90 4.20 3 -3 0 48.30 4.20 3 -3 0 52.09 4.10 -3 3 0 49.99 4.00 -3 3 0 50.49 4.10 -3 3 0 56.09 4.00 -3 3 0 53.49 4.50 2 -3 0 8.40 0.80 2 -3 0 8.70 1.00 2 -3 0 8.20 1.00 2 -3 0 8.70 0.90 -2 3 0 9.60 0.80 -2 3 0 9.70 1.30 -2 3 0 8.20 0.90 -2 3 0 9.80 0.80 1 -3 0 645.24 47.60 1 -3 0 594.74 47.50 1 -3 0 571.34 47.60 1 -3 0 653.23 47.70 1 -3 0 626.94 47.50 -1 3 0 674.63 47.70 -1 3 0 695.03 47.80 -1 3 0 599.24 47.50 -1 3 0 668.53 47.80 0 -3 0 50.29 3.90 0 -3 0 48.50 4.00 0 -3 0 52.29 3.90 0 3 0 51.09 4.10 0 3 0 50.49 3.90 0 3 0 48.80 3.90 0 3 0 55.29 4.00 0 3 0 49.20 3.90 -1 -3 0 331.27 23.00 -1 -3 0 295.17 23.00 -1 -3 0 291.57 23.00 1 3 0 290.87 23.00 1 3 0 298.07 23.00 1 3 0 326.67 22.90 1 3 0 311.57 22.90 1 3 0 301.87 23.00 -2 -3 0 4.80 0.80 -2 -3 0 6.20 0.70 -2 -3 0 5.00 0.70 2 3 0 6.40 0.60 2 3 0 4.40 0.70 2 3 0 4.30 0.80 2 3 0 4.60 0.80 2 3 0 4.80 0.70 -3 -3 0 4.90 0.60 -3 -3 0 3.50 0.70 -3 -3 0 4.30 0.60 3 3 0 3.50 0.70 3 3 0 3.30 0.70 3 3 0 3.80 0.80 3 3 0 5.50 0.60 3 3 0 3.70 0.60 -4 -3 0 -0.30 0.50 -4 -3 0 0.30 0.30 -4 -3 0 0.40 0.40 4 3 0 0.10 0.40 4 3 0 0.70 0.30 4 3 0 0.30 0.50 4 3 0 -0.10 0.50 4 3 0 0.40 0.60 -5 -3 0 13.50 1.90 -5 -3 0 13.70 1.50 -5 -3 0 15.20 1.80 5 3 0 12.00 2.00 5 3 0 15.50 1.80 5 3 0 14.80 1.50 5 3 0 14.80 1.80 -6 -3 0 1.70 0.60 -6 -3 0 2.80 1.10 -6 -3 0 2.20 0.90 6 3 0 2.20 0.90 6 3 0 2.00 0.70 6 3 0 1.50 1.10 6 3 0 2.00 0.80 -7 -3 0 10.70 1.70 -7 -3 0 7.80 1.60 -7 -3 0 11.60 1.30 7 3 0 12.10 1.80 7 3 0 10.50 1.80 7 3 0 11.70 1.50 7 3 0 8.00 1.70 -8 -3 0 1.80 0.70 -8 -3 0 1.40 1.10 -8 -3 0 2.00 1.00 8 3 0 2.80 1.30 8 3 0 2.20 1.00 8 3 0 1.70 0.80 8 3 0 2.00 1.00 -9 -3 0 4.30 1.50 -9 -3 0 6.40 1.40 9 3 0 6.20 1.40 9 3 0 6.20 1.70 9 3 0 5.30 1.40 10 -4 0 27.40 2.80 10 -4 0 23.70 2.90 10 -4 0 25.30 4.00 -10 4 0 26.30 2.70 -10 4 0 26.60 2.90 -10 4 0 19.50 2.70 9 -4 0 -0.20 1.30 9 -4 0 0.10 1.00 9 -4 0 0.80 0.80 -9 4 0 -1.70 0.80 -9 4 0 3.10 1.40 -9 4 0 3.70 1.10 -9 4 0 0.50 0.70 8 -4 0 31.20 3.10 8 -4 0 35.30 3.30 8 -4 0 37.30 3.10 8 -4 0 36.00 3.20 8 -4 0 36.40 3.60 -8 4 0 28.00 3.30 -8 4 0 31.20 3.20 -8 4 0 35.20 3.10 -8 4 0 33.20 3.10 -8 4 0 37.00 3.80 7 -4 0 118.99 9.90 7 -4 0 130.49 9.60 7 -4 0 120.39 10.30 7 -4 0 104.69 9.50 7 -4 0 125.99 9.40 7 -4 0 130.69 9.60 7 -4 0 128.59 9.50 -7 4 0 119.39 9.50 -7 4 0 122.59 10.10 -7 4 0 114.99 9.50 -7 4 0 128.09 9.50 6 -4 0 18.80 2.60 6 -4 0 15.80 1.80 6 -4 0 19.50 1.70 6 -4 0 18.20 1.90 6 -4 0 16.00 2.10 6 -4 0 17.30 1.50 -6 4 0 19.60 1.70 -6 4 0 16.20 1.80 -6 4 0 16.20 1.70 -6 4 0 18.70 2.40 5 -4 0 11.60 1.00 5 -4 0 9.80 1.20 5 -4 0 9.90 1.90 5 -4 0 8.40 1.30 5 -4 0 9.50 1.50 5 -4 0 11.50 1.20 -5 4 0 12.30 1.10 -5 4 0 8.80 1.20 -5 4 0 9.10 1.80 -5 4 0 11.50 1.20 4 -4 0 57.19 4.50 4 -4 0 51.49 4.80 4 -4 0 60.19 4.70 4 -4 0 57.09 4.90 -4 4 0 59.39 4.70 -4 4 0 56.29 5.20 -4 4 0 62.79 4.60 -4 4 0 68.79 4.60 3 -4 0 213.58 17.10 3 -4 0 217.68 17.20 3 -4 0 224.98 17.00 3 -4 0 212.08 16.90 -3 4 0 250.37 17.00 -3 4 0 221.88 17.40 -3 4 0 244.08 16.90 -3 4 0 215.38 17.00 2 -4 0 12.50 1.40 2 -4 0 14.30 1.10 2 -4 0 11.60 1.40 2 -4 0 12.40 1.20 2 -4 0 12.40 1.20 -2 4 0 14.50 1.20 -2 4 0 15.60 1.20 -2 4 0 12.80 1.60 -2 4 0 12.00 1.20 1 -4 0 81.19 6.00 1 -4 0 72.39 6.10 1 -4 0 80.39 6.00 1 -4 0 78.29 5.90 1 -4 0 70.09 6.10 -1 4 0 83.69 6.00 -1 4 0 78.99 6.00 -1 4 0 77.19 6.30 -1 4 0 88.89 6.00 -1 4 0 70.49 5.90 0 -4 0 139.89 12.20 0 -4 0 155.18 12.30 0 -4 0 166.68 12.20 0 -4 0 167.28 12.20 0 4 0 166.98 12.20 0 4 0 163.18 12.40 0 4 0 172.98 12.20 0 4 0 157.98 12.10 0 4 0 160.38 12.20 -1 -4 0 321.57 25.80 -1 -4 0 333.77 25.80 -1 -4 0 353.76 25.70 1 4 0 371.66 25.60 1 4 0 349.07 25.70 1 4 0 334.97 25.80 1 4 0 330.97 25.80 -2 -4 0 -0.90 0.40 -2 -4 0 -0.10 0.30 -2 -4 0 0.00 0.40 2 4 0 -0.30 0.40 2 4 0 -0.60 0.40 2 4 0 -0.10 0.50 2 4 0 0.30 0.40 2 4 0 0.10 0.20 -3 -4 0 9.50 1.30 -3 -4 0 9.90 1.20 -3 -4 0 11.10 1.20 3 4 0 10.00 1.30 3 4 0 11.20 1.40 3 4 0 9.70 1.40 3 4 0 13.60 1.10 3 4 0 11.30 1.20 -4 -4 0 124.59 10.10 -4 -4 0 129.79 9.90 -4 -4 0 125.09 10.00 -4 -4 0 127.29 9.90 4 4 0 128.99 10.10 4 4 0 126.99 10.10 4 4 0 133.79 10.20 4 4 0 130.89 9.90 -5 -4 0 27.80 2.60 -5 -4 0 26.40 2.80 -5 -4 0 27.60 2.90 5 4 0 27.30 2.80 5 4 0 31.30 2.60 5 4 0 25.90 2.80 5 4 0 29.00 3.10 -6 -4 0 18.10 2.40 -6 -4 0 20.50 2.00 -6 -4 0 19.30 2.30 6 4 0 21.00 2.10 6 4 0 19.60 2.40 6 4 0 20.80 2.40 6 4 0 17.30 2.60 -7 -4 0 9.70 1.60 -7 -4 0 12.20 2.10 -7 -4 0 11.30 1.40 7 4 0 9.80 1.90 7 4 0 11.10 1.70 7 4 0 13.70 2.00 7 4 0 11.70 2.00 -8 -4 0 0.70 1.00 -8 -4 0 1.10 0.80 -8 -4 0 0.10 1.10 8 4 0 0.90 1.00 8 4 0 0.40 0.90 8 4 0 1.50 1.30 10 -5 0 1.80 1.00 10 -5 0 1.80 1.50 10 -5 0 -0.10 1.10 -10 5 0 3.70 1.20 -10 5 0 1.80 0.90 -10 5 0 0.20 1.00 9 -5 0 -1.20 0.90 9 -5 0 -1.60 1.00 9 -5 0 -0.20 1.30 9 -5 0 0.10 0.80 -9 5 0 0.20 0.80 -9 5 0 1.60 1.00 -9 5 0 1.60 1.30 -9 5 0 -1.70 0.80 8 -5 0 57.39 5.00 8 -5 0 59.99 4.70 8 -5 0 50.49 4.80 8 -5 0 54.99 5.20 -8 5 0 51.29 4.80 -8 5 0 57.29 5.50 -8 5 0 60.29 4.70 7 -5 0 18.40 2.40 7 -5 0 15.50 1.70 7 -5 0 14.20 1.90 7 -5 0 16.20 2.00 -7 5 0 13.90 1.80 -7 5 0 15.20 1.70 -7 5 0 17.10 2.60 -7 5 0 14.80 1.70 6 -5 0 1.20 0.60 6 -5 0 1.30 0.90 6 -5 0 0.70 0.70 6 -5 0 1.00 0.40 6 -5 0 0.40 0.50 -6 5 0 1.10 0.60 -6 5 0 0.70 0.50 -6 5 0 0.30 1.10 -6 5 0 0.50 0.50 5 -5 0 -0.70 0.40 5 -5 0 -0.50 0.60 5 -5 0 -0.60 0.60 5 -5 0 -0.60 0.30 -5 5 0 -0.70 0.90 -5 5 0 -0.20 0.40 -5 5 0 -0.20 0.40 -5 5 0 -0.30 0.30 4 -5 0 5.10 0.70 4 -5 0 4.60 0.90 4 -5 0 4.40 0.90 4 -5 0 4.40 0.70 -4 5 0 3.00 1.20 -4 5 0 6.00 0.80 -4 5 0 6.40 0.70 -4 5 0 4.00 0.70 3 -5 0 71.09 6.10 3 -5 0 69.69 6.00 3 -5 0 72.69 5.70 3 -5 0 72.59 5.80 -3 5 0 87.79 5.80 -3 5 0 81.19 5.80 -3 5 0 73.89 6.30 -3 5 0 68.59 5.80 2 -5 0 12.90 1.20 2 -5 0 13.10 1.10 2 -5 0 14.00 1.50 2 -5 0 12.70 1.40 2 -5 0 11.40 1.20 -2 5 0 10.90 1.30 -2 5 0 9.90 1.20 -2 5 0 15.00 1.30 -2 5 0 13.30 1.70 -2 5 0 13.70 1.10 1 -5 0 43.80 3.80 1 -5 0 48.90 3.70 1 -5 0 44.20 3.90 1 -5 0 48.70 3.60 -1 5 0 51.09 3.70 -1 5 0 46.00 3.70 -1 5 0 45.30 3.60 -1 5 0 43.40 3.70 -1 5 0 46.80 4.00 0 -5 0 169.08 12.30 0 -5 0 169.48 12.30 0 -5 0 140.09 12.20 0 -5 0 156.88 12.40 0 5 0 170.98 12.30 0 5 0 160.28 12.20 0 5 0 159.08 12.20 0 5 0 163.08 12.50 0 5 0 165.28 12.30 -1 -5 0 1.50 0.50 -1 -5 0 1.10 0.60 -1 -5 0 1.50 0.50 -1 -5 0 1.50 0.40 1 5 0 1.50 0.30 1 5 0 1.00 0.50 1 5 0 2.00 0.60 1 5 0 0.70 0.50 1 5 0 0.50 0.40 -2 -5 0 5.60 1.00 -2 -5 0 5.30 0.90 -2 -5 0 5.60 0.80 2 5 0 5.30 0.90 2 5 0 4.60 0.80 2 5 0 4.90 0.90 -3 -5 0 10.20 1.50 -3 -5 0 10.90 1.40 -3 -5 0 10.10 1.40 3 5 0 12.10 1.70 3 5 0 12.50 1.60 3 5 0 14.30 1.40 -4 -5 0 112.09 9.40 -4 -5 0 114.59 9.30 -4 -5 0 118.89 9.10 4 5 0 113.29 9.30 4 5 0 123.39 9.50 4 5 0 122.09 9.10 -5 -5 0 3.10 1.00 -5 -5 0 2.70 0.80 -5 -5 0 3.00 1.10 5 5 0 1.90 1.10 5 5 0 2.00 0.90 -6 -5 0 21.20 2.10 -6 -5 0 17.10 2.60 -6 -5 0 22.50 2.40 6 5 0 23.60 2.20 6 5 0 21.10 2.80 6 5 0 19.80 2.50 -7 -5 0 1.20 1.20 -7 -5 0 1.10 1.00 -7 -5 0 1.10 0.70 7 5 0 1.70 1.00 7 5 0 -0.40 1.10 7 5 0 0.80 0.80 -8 -5 0 1.30 1.20 -8 -5 0 2.40 0.80 -8 -5 0 3.20 1.50 8 5 0 3.40 1.30 8 5 0 5.00 1.70 10 -6 0 7.10 1.60 10 -6 0 5.70 1.30 10 -6 0 7.10 2.00 -10 6 0 5.40 1.40 -10 6 0 7.50 1.60 -10 6 0 5.90 1.20 9 -6 0 -0.70 1.40 9 -6 0 -0.70 0.90 9 -6 0 -1.40 0.90 -9 6 0 1.20 1.20 -9 6 0 -1.50 0.80 -9 6 0 -1.40 0.80 8 -6 0 14.00 2.50 8 -6 0 13.80 2.00 8 -6 0 11.50 1.90 -8 6 0 11.80 1.90 -8 6 0 11.80 1.70 -8 6 0 14.70 2.70 7 -6 0 16.50 2.20 7 -6 0 18.60 2.70 7 -6 0 20.70 2.20 -7 6 0 19.20 3.00 -7 6 0 19.20 2.10 -7 6 0 19.90 2.00 6 -6 0 1.00 1.00 6 -6 0 1.40 0.70 6 -6 0 2.00 0.50 6 -6 0 -0.50 1.00 -6 6 0 1.50 0.70 -6 6 0 0.70 0.60 -6 6 0 0.90 0.50 -6 6 0 -0.90 1.30 5 -6 0 5.80 1.30 5 -6 0 9.60 1.00 5 -6 0 6.70 1.40 5 -6 0 9.90 1.30 -5 6 0 10.50 1.20 -5 6 0 9.40 1.10 -5 6 0 6.10 1.80 -5 6 0 10.30 1.30 4 -6 0 0.80 0.70 4 -6 0 0.60 0.40 4 -6 0 0.50 0.50 4 -6 0 0.60 0.80 -4 6 0 -0.10 1.10 -4 6 0 1.60 0.50 -4 6 0 0.80 0.50 -4 6 0 1.60 0.50 3 -6 0 3.70 0.60 3 -6 0 3.60 0.90 3 -6 0 3.40 0.90 3 -6 0 3.00 0.60 -3 6 0 3.80 0.60 -3 6 0 5.00 0.80 -3 6 0 4.10 1.10 -3 6 0 3.50 0.60 2 -6 0 33.60 2.70 2 -6 0 36.40 2.80 2 -6 0 33.00 3.10 2 -6 0 31.70 3.00 -2 6 0 38.80 2.90 -2 6 0 31.90 2.80 -2 6 0 34.20 3.30 -2 6 0 33.80 2.90 1 -6 0 38.70 2.90 1 -6 0 32.10 3.10 1 -6 0 36.00 2.80 1 -6 0 30.90 2.90 -1 6 0 38.30 2.90 -1 6 0 31.50 2.80 -1 6 0 33.00 2.90 -1 6 0 34.60 3.20 0 -6 0 0.90 0.40 0 -6 0 0.70 0.50 0 -6 0 0.40 0.60 0 -6 0 1.00 0.60 0 6 0 1.90 0.60 0 6 0 0.70 0.60 0 6 0 0.80 0.40 0 6 0 0.70 0.60 0 6 0 0.30 0.70 -1 -6 0 34.20 3.30 -1 -6 0 36.10 3.20 -1 -6 0 34.20 3.10 1 6 0 37.30 3.10 1 6 0 43.30 3.30 1 6 0 34.70 3.20 1 6 0 38.20 2.90 1 6 0 34.60 3.20 -2 -6 0 1.10 0.80 -2 -6 0 1.10 0.70 -2 -6 0 0.20 0.60 2 6 0 2.20 0.60 2 6 0 2.40 0.80 2 6 0 2.00 0.70 -3 -6 0 5.40 1.10 -3 -6 0 7.90 1.30 -3 -6 0 3.80 1.40 -3 -6 0 3.60 1.00 3 6 0 8.90 1.10 3 6 0 6.30 1.20 3 6 0 6.50 1.30 -4 -6 0 2.40 0.80 -4 -6 0 2.70 1.00 -4 -6 0 1.60 1.00 4 6 0 1.30 1.00 4 6 0 2.20 1.10 4 6 0 2.40 0.70 -5 -6 0 -0.80 0.70 -5 -6 0 -0.40 0.90 -5 -6 0 0.10 0.60 5 6 0 -0.50 0.80 5 6 0 -0.30 0.60 5 6 0 -0.80 0.90 -6 -6 0 4.00 0.90 -6 -6 0 3.90 1.30 -6 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24.90 2.60 -3 7 0 31.90 2.50 -3 7 0 25.20 3.00 -3 7 0 23.10 2.30 -3 7 0 27.00 2.40 2 -7 0 2.20 1.00 2 -7 0 2.80 0.90 2 -7 0 3.60 0.70 -2 7 0 3.90 0.80 -2 7 0 2.50 1.20 -2 7 0 3.90 0.80 -2 7 0 2.80 0.70 1 -7 0 2.70 0.90 1 -7 0 2.60 0.70 1 -7 0 2.10 0.90 1 -7 0 2.70 0.70 -1 7 0 1.50 0.70 -1 7 0 1.70 0.60 -1 7 0 1.80 0.70 -1 7 0 2.00 0.90 0 -7 0 42.30 4.00 0 -7 0 51.89 3.90 0 -7 0 48.30 3.90 0 7 0 45.70 3.60 0 7 0 43.00 3.90 0 7 0 41.80 3.80 0 7 0 49.00 4.10 -1 -7 0 -0.70 0.60 -1 -7 0 -0.20 0.60 -1 -7 0 -1.40 0.70 1 7 0 0.70 0.70 1 7 0 -1.00 0.70 1 7 0 0.10 0.60 -2 -7 0 7.50 1.30 -2 -7 0 7.10 1.30 -2 -7 0 7.10 1.30 -2 -7 0 6.80 1.20 2 7 0 9.40 1.60 2 7 0 8.90 1.30 2 7 0 10.30 1.50 -3 -7 0 20.40 2.60 -3 -7 0 19.60 2.40 -3 -7 0 22.00 2.30 3 7 0 19.90 2.50 3 7 0 23.60 2.60 3 7 0 24.50 2.20 -4 -7 0 13.20 1.80 -4 -7 0 16.20 2.20 -4 -7 0 14.90 2.00 4 7 0 15.70 2.20 4 7 0 15.10 1.80 4 7 0 15.30 2.20 -5 -7 0 1.50 1.20 -5 -7 0 0.80 1.00 -5 -7 0 0.10 0.80 5 7 0 1.70 1.20 5 7 0 1.10 1.10 5 7 0 2.00 0.80 -6 -7 0 0.10 1.00 -6 -7 0 -1.00 1.00 -6 -7 0 1.10 0.80 6 7 0 0.50 0.90 6 7 0 1.00 1.20 6 7 0 0.90 1.10 9 -8 0 4.30 1.90 9 -8 0 3.80 1.30 9 -8 0 3.60 1.40 -9 8 0 1.40 1.00 -9 8 0 4.00 1.20 -9 8 0 3.20 1.50 8 -8 0 2.80 1.10 8 -8 0 1.20 1.30 8 -8 0 1.50 1.50 -8 8 0 1.90 1.20 -8 8 0 1.10 0.90 -8 8 0 3.30 1.00 7 -8 0 3.30 1.50 7 -8 0 2.40 1.50 7 -8 0 4.10 1.10 -7 8 0 3.20 0.90 -7 8 0 1.70 0.90 6 -8 0 16.20 2.60 6 -8 0 17.10 1.70 6 -8 0 13.60 2.40 6 -8 0 19.20 2.10 -6 8 0 15.00 1.90 -6 8 0 16.40 3.00 -6 8 0 16.60 2.00 5 -8 0 1.60 0.80 5 -8 0 1.10 1.10 5 -8 0 1.00 1.00 5 -8 0 1.50 0.60 -5 8 0 2.00 0.80 -5 8 0 2.20 0.80 -5 8 0 1.10 1.40 4 -8 0 0.90 1.10 4 -8 0 2.10 0.70 4 -8 0 1.50 0.80 4 -8 0 2.10 1.00 -4 8 0 1.40 0.70 -4 8 0 1.60 0.70 -4 8 0 1.50 0.70 -4 8 0 1.60 1.40 3 -8 0 10.80 1.70 3 -8 0 8.70 1.70 3 -8 0 11.20 1.50 -3 8 0 11.90 1.60 -3 8 0 9.50 1.50 -3 8 0 12.30 1.50 -3 8 0 10.20 2.20 2 -8 0 0.30 1.00 2 -8 0 0.20 0.70 2 -8 0 0.90 0.70 -2 8 0 0.70 0.70 -2 8 0 -0.10 0.70 -2 8 0 -0.30 0.50 -2 8 0 0.20 1.00 1 -8 0 38.10 3.10 1 -8 0 33.90 3.40 -1 8 0 31.90 3.00 -1 8 0 37.40 3.10 -1 8 0 33.70 3.50 -1 8 0 32.90 2.90 0 -8 0 28.60 2.70 0 -8 0 25.90 2.90 0 8 0 27.10 2.60 0 8 0 31.20 2.90 -1 -8 0 -0.90 0.70 -1 -8 0 0.00 0.80 -1 -8 0 -0.90 0.70 1 8 0 -0.40 0.80 1 8 0 -0.50 0.60 -2 -8 0 -0.20 0.80 -2 -8 0 -0.70 0.80 2 8 0 1.60 1.00 2 8 0 1.10 0.70 -3 -8 0 22.00 2.60 -3 -8 0 23.10 2.50 3 8 0 24.50 3.00 3 8 0 24.30 2.50 3 8 0 25.10 2.80 -4 -8 0 -0.10 0.80 -4 -8 0 1.60 1.10 -4 -8 0 -0.50 0.90 4 8 0 0.40 0.70 4 8 0 0.30 1.10 4 8 0 0.70 1.00 -5 -8 0 -0.10 0.90 -5 -8 0 0.70 1.10 -5 -8 0 1.80 1.20 5 8 0 1.20 0.80 5 8 0 1.50 1.20 5 8 0 1.20 1.10 8 -9 0 0.40 1.40 8 -9 0 0.50 1.40 8 -9 0 0.50 1.10 -8 9 0 2.50 1.20 -8 9 0 -1.60 0.90 -8 9 0 0.80 0.90 7 -9 0 0.60 1.30 7 -9 0 0.20 1.30 7 -9 0 1.00 1.00 -7 9 0 0.50 0.90 -7 9 0 2.00 1.20 -7 9 0 -1.50 0.80 6 -9 0 51.69 4.80 6 -9 0 49.40 4.20 6 -9 0 47.00 4.70 -6 9 0 44.40 4.10 -6 9 0 43.70 4.10 5 -9 0 4.70 0.90 5 -9 0 5.10 1.50 5 -9 0 4.40 1.40 -5 9 0 3.80 1.00 -5 9 0 3.70 1.10 -5 9 0 6.80 1.80 4 -9 0 0.40 0.80 4 -9 0 1.50 1.00 4 -9 0 0.70 1.20 -4 9 0 1.50 1.40 -4 9 0 -0.40 0.90 -4 9 0 0.20 0.80 3 -9 0 53.29 4.80 3 -9 0 45.10 4.30 3 -9 0 54.79 4.20 -3 9 0 50.19 4.70 -3 9 0 51.29 4.90 -3 9 0 42.90 4.20 -3 9 0 44.70 4.00 2 -9 0 6.30 1.20 2 -9 0 7.20 1.50 -2 9 0 6.70 1.50 -2 9 0 5.10 1.20 -2 9 0 9.50 1.40 -2 9 0 4.90 0.90 1 -9 0 21.50 2.30 1 -9 0 17.20 2.60 -1 9 0 19.90 2.20 -1 9 0 25.30 2.40 0 -9 0 0.60 1.00 0 -9 0 0.50 0.80 0 9 0 2.30 1.00 0 9 0 1.00 0.80 -1 -9 0 47.70 4.80 -1 -9 0 51.59 4.60 1 9 0 51.99 4.40 1 9 0 59.99 4.90 -2 -9 0 7.10 1.30 -2 -9 0 6.70 1.30 2 9 0 11.20 2.00 -3 -9 0 0.10 0.90 -3 -9 0 0.00 1.00 3 9 0 1.30 1.10 3 9 0 1.10 0.80 -4 -9 0 -0.90 1.10 -4 -9 0 -0.60 0.90 4 9 0 0.00 0.90 4 9 0 1.60 1.10 7 -10 0 0.80 1.60 7 -10 0 0.90 1.60 -7 10 0 0.80 1.10 -7 10 0 -2.00 1.00 -7 10 0 2.40 1.30 6 -10 0 0.10 1.40 6 -10 0 1.10 1.30 -6 10 0 1.80 1.20 -6 10 0 -1.60 1.20 -6 10 0 0.40 0.90 5 -10 0 3.00 1.50 5 -10 0 4.10 1.40 5 -10 0 1.10 1.00 -5 10 0 0.60 1.10 -5 10 0 3.90 1.20 -5 10 0 1.90 0.90 4 -10 0 3.60 1.50 4 -10 0 3.70 1.20 4 -10 0 2.00 1.00 -4 10 0 3.90 1.10 -4 10 0 0.40 0.90 -4 10 0 -0.60 1.00 3 -10 0 7.60 1.30 3 -10 0 7.60 1.80 -3 10 0 4.70 1.00 -3 10 0 7.70 1.80 -3 10 0 4.80 1.20 2 -10 0 1.00 1.30 2 -10 0 0.20 0.90 -2 10 0 -0.20 0.90 1 -10 0 2.00 1.10 1 -10 0 3.30 1.40 -1 10 0 3.50 1.00 0 -10 0 36.00 3.30 0 -10 0 29.00 3.50 0 10 0 32.60 3.00 -1 -10 0 47.00 4.50 1 10 0 47.50 4.20 1 10 0 53.89 4.60 2 10 0 16.90 2.20 2 10 0 19.70 2.80 -6 11 0 -3.00 1.40 5 -11 0 0.60 1.00 5 -11 0 3.30 1.60 5 -11 0 2.80 1.50 -5 11 0 1.30 1.00 -5 11 0 -2.00 1.20 4 -11 0 5.10 1.70 4 -11 0 1.30 1.10 -4 11 0 1.90 1.20 -4 11 0 1.40 1.00 3 -11 0 -0.20 1.40 3 -11 0 -2.60 1.00 -3 11 0 -0.70 1.00 2 -11 0 2.30 1.20 2 -11 0 3.50 1.70 -2 11 0 3.40 1.10 1 -11 0 10.20 1.80 1 -11 0 9.80 2.00 -1 11 0 14.30 1.80 0 11 0 11.80 1.80 1 11 -1 5.80 1.30 -1 -11 1 2.10 1.50 0 11 -1 4.50 1.10 0 -11 1 3.20 1.30 1 -11 1 10.80 1.90 1 -11 1 11.90 2.20 -2 11 -1 2.40 1.00 2 -11 1 -0.80 1.10 2 -11 1 1.30 1.40 -3 11 -1 2.30 1.10 -3 11 -1 0.60 0.90 3 -11 1 1.10 1.20 3 -11 1 3.90 1.60 -4 11 -1 -0.30 0.90 -4 11 -1 0.00 1.20 4 -11 1 0.60 1.10 4 -11 1 2.80 1.50 -5 11 -1 7.10 1.60 -5 11 -1 0.60 1.30 -5 11 -1 3.30 1.10 5 -11 1 5.70 1.70 5 -11 1 7.50 1.90 5 -11 1 4.60 1.20 -6 11 -1 -1.30 1.00 -6 11 -1 0.90 1.20 6 -11 1 0.90 1.40 6 -11 1 2.30 1.90 3 10 -1 2.00 1.20 3 10 -1 1.50 0.90 -3 -10 1 -0.30 1.10 -3 -10 1 -0.20 1.00 2 10 -1 3.00 1.20 2 10 -1 2.10 0.90 -2 -10 1 0.40 1.10 1 10 -1 49.10 4.50 1 10 -1 46.80 4.20 -1 -10 1 51.69 4.50 0 10 -1 22.60 2.30 0 -10 1 16.80 2.40 0 -10 1 14.50 2.50 -1 10 -1 17.50 2.10 1 -10 1 14.90 2.20 1 -10 1 14.20 2.40 -2 10 -1 -0.30 0.80 2 -10 1 0.10 1.10 2 -10 1 -0.90 0.90 -3 10 -1 2.40 0.90 -3 10 -1 4.10 1.40 -3 10 -1 1.70 1.10 3 -10 1 3.70 1.20 3 -10 1 4.40 1.50 -4 10 -1 7.20 1.40 -4 10 -1 4.90 1.30 -4 10 -1 5.50 1.20 4 -10 1 8.10 1.60 4 -10 1 7.60 1.30 4 -10 1 9.60 1.90 -5 10 -1 5.00 1.50 -5 10 -1 2.30 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3.00 1.40 10 -5 3 0.90 1.60 10 -5 3 1.60 1.70 9 4 -3 1.50 1.20 9 4 -3 1.20 0.90 9 4 -3 0.40 1.50 -9 -4 3 0.50 1.30 -9 -4 3 0.20 1.10 8 4 -3 2.50 0.90 8 4 -3 2.10 1.20 8 4 -3 1.80 1.40 -8 -4 3 2.30 1.20 -8 -4 3 2.20 1.20 7 4 -3 4.10 1.00 7 4 -3 4.90 1.20 7 4 -3 4.00 1.50 -7 -4 3 5.10 1.30 -7 -4 3 3.90 1.30 6 4 -3 135.09 10.50 6 4 -3 132.69 10.80 6 4 -3 141.09 11.00 -6 -4 3 133.89 10.80 -6 -4 3 132.79 10.70 -6 -4 3 135.09 10.40 5 4 -3 161.78 11.20 5 4 -3 154.18 11.60 5 4 -3 135.49 11.20 5 4 -3 142.89 11.40 -5 -4 3 141.79 11.50 -5 -4 3 138.79 11.30 -5 -4 3 143.29 11.10 4 4 -3 21.40 2.30 4 4 -3 23.70 1.90 4 4 -3 21.60 2.20 4 4 -3 19.80 2.00 -4 -4 3 22.10 2.00 -4 -4 3 19.70 2.30 -4 -4 3 20.90 2.10 3 4 -3 387.66 26.70 3 4 -3 346.97 26.90 3 4 -3 348.57 26.90 3 4 -3 351.26 26.80 -3 -4 3 343.47 26.90 -3 -4 3 361.56 26.80 -3 -4 3 349.77 26.90 2 4 -3 1.20 0.60 2 4 -3 2.20 0.40 2 4 -3 1.90 0.60 2 4 -3 1.60 0.40 -2 -4 3 1.70 0.60 -2 -4 3 1.50 0.40 -2 -4 3 2.10 0.50 -2 -4 3 0.70 0.60 1 4 -3 840.12 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22.50 2.80 3 -6 5 25.40 2.10 3 -6 5 24.40 2.50 3 -6 5 27.20 2.10 -4 6 -5 4.30 0.90 -4 6 -5 4.40 1.10 -4 6 -5 3.90 1.40 -4 6 -5 2.60 0.90 4 -6 5 4.70 1.20 4 -6 5 3.30 1.40 4 -6 5 5.40 0.70 4 -6 5 4.20 1.20 4 -6 5 5.00 0.80 -5 6 -5 -0.70 1.00 -5 6 -5 0.20 1.30 -5 6 -5 -0.80 1.10 -5 6 -5 -2.20 1.00 5 -6 5 -1.60 1.20 5 -6 5 -1.90 1.10 5 -6 5 -0.30 0.60 5 -6 5 0.20 0.60 5 -6 5 -0.30 1.20 -6 6 -5 65.39 5.10 -6 6 -5 56.69 5.40 -6 6 -5 52.69 5.80 6 -6 5 66.99 5.40 6 -6 5 69.19 5.70 6 -6 5 54.89 4.80 6 -6 5 54.79 5.90 -7 6 -5 1.80 1.10 -7 6 -5 2.90 1.20 -7 6 -5 1.20 1.30 7 -6 5 0.90 0.80 7 -6 5 2.40 1.60 7 -6 5 1.70 1.30 -8 6 -5 1.30 1.50 -8 6 -5 -0.30 1.20 -8 6 -5 2.80 1.30 8 -6 5 1.10 1.40 8 -6 5 2.20 1.70 8 -6 5 0.90 0.70 -9 6 -5 2.00 1.60 -9 6 -5 3.60 1.50 9 -6 5 1.90 1.90 9 -6 5 0.30 1.50 9 -6 5 1.00 0.70 8 5 -5 2.50 1.10 8 5 -5 4.10 1.80 8 5 -5 3.30 1.40 -8 -5 5 3.80 1.40 -8 -5 5 2.10 1.50 7 5 -5 6.80 1.90 7 5 -5 6.50 1.50 7 5 -5 5.20 1.20 -7 -5 5 7.10 1.80 -7 -5 5 5.90 1.40 6 5 -5 6.90 1.20 6 5 -5 7.40 1.70 6 5 -5 10.00 1.40 6 5 -5 7.80 1.50 -6 -5 5 6.90 1.60 -6 -5 5 6.40 1.30 5 5 -5 94.99 7.70 5 5 -5 92.89 7.20 5 5 -5 91.89 7.50 5 5 -5 84.89 7.20 -5 -5 5 91.69 7.40 -5 -5 5 92.49 7.20 -5 -5 5 90.79 7.60 4 5 -5 -0.70 0.70 4 5 -5 0.10 0.50 4 5 -5 0.00 0.60 4 5 -5 -1.80 0.80 -4 -5 5 -1.50 0.70 -4 -5 5 -0.80 0.80 3 5 -5 1.30 0.80 3 5 -5 2.20 0.60 3 5 -5 2.00 0.50 3 5 -5 1.20 0.70 -3 -5 5 0.40 0.80 -3 -5 5 1.00 0.80 -3 -5 5 1.60 0.60 2 5 -5 4.90 0.70 2 5 -5 3.40 0.80 2 5 -5 3.10 0.60 2 5 -5 4.40 0.70 -2 -5 5 2.20 0.70 -2 -5 5 3.50 0.80 -2 -5 5 3.60 0.70 1 5 -5 4.90 0.80 1 5 -5 3.70 0.80 1 5 -5 4.90 0.70 1 5 -5 5.70 0.80 1 5 -5 5.10 0.90 -1 -5 5 5.30 0.80 -1 -5 5 4.50 0.90 -1 -5 5 5.00 0.80 -1 -5 5 4.20 0.70 -1 -5 5 4.80 0.80 0 5 -5 0.70 0.50 0 5 -5 0.70 0.60 0 5 -5 -0.10 0.50 0 5 -5 0.30 0.40 0 5 -5 0.80 0.40 0 -5 5 2.10 0.60 0 -5 5 0.80 0.60 0 -5 5 1.10 0.50 0 -5 5 0.70 0.40 0 -5 5 0.80 0.50 -1 5 -5 103.89 7.80 -1 5 -5 104.19 7.80 -1 5 -5 84.89 8.20 -1 5 -5 102.59 8.00 1 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12.20 2.00 -8 5 -5 9.80 1.80 8 -5 5 6.80 1.10 8 -5 5 10.70 2.10 8 -5 5 6.80 1.60 -9 5 -5 1.60 0.70 -9 5 -5 2.00 1.60 -9 5 -5 3.30 1.40 9 -5 5 2.60 0.80 9 -5 5 3.50 2.10 9 -5 5 0.30 1.40 9 4 -5 2.00 1.30 9 4 -5 2.20 1.70 9 4 -5 2.40 1.00 -9 -4 5 1.80 1.50 -9 -4 5 0.50 1.20 -9 -4 5 2.10 1.30 8 4 -5 31.30 3.60 8 4 -5 23.90 2.80 8 4 -5 26.70 3.20 -8 -4 5 27.30 3.30 -8 -4 5 27.90 3.20 -8 -4 5 27.40 3.20 7 4 -5 25.70 3.00 7 4 -5 25.40 2.70 7 4 -5 27.50 3.30 7 4 -5 28.30 2.50 -7 -4 5 23.90 3.10 -7 -4 5 24.10 2.80 6 4 -5 0.20 1.00 6 4 -5 1.10 0.60 6 4 -5 1.10 1.20 6 4 -5 0.60 0.70 -6 -4 5 0.00 0.80 -6 -4 5 -1.10 1.00 5 4 -5 23.90 2.30 5 4 -5 26.20 2.20 5 4 -5 21.50 2.70 5 4 -5 25.20 2.60 -5 -4 5 22.70 2.20 -5 -4 5 23.10 2.70 -5 -4 5 20.90 2.50 4 4 -5 22.40 2.20 4 4 -5 25.80 2.10 4 4 -5 24.70 2.50 4 4 -5 24.00 2.60 -4 -4 5 23.20 2.40 -4 -4 5 23.70 2.50 -4 -4 5 24.70 2.10 3 4 -5 27.30 2.30 3 4 -5 27.90 2.60 3 4 -5 26.70 2.20 3 4 -5 26.70 2.30 -3 -4 5 26.40 2.40 -3 -4 5 25.40 2.30 -3 -4 5 24.90 2.50 2 4 -5 -0.30 0.30 2 4 -5 0.00 0.30 2 4 -5 -0.30 0.40 2 4 -5 0.30 0.30 -2 -4 5 0.30 0.40 -2 -4 5 -0.10 0.30 -2 -4 5 -0.30 0.50 -2 -4 5 -0.30 0.30 -2 -4 5 0.30 0.50 1 4 -5 7.00 0.80 1 4 -5 4.10 0.60 1 4 -5 4.50 0.90 1 4 -5 4.70 0.70 1 4 -5 6.30 0.80 -1 -4 5 5.00 0.80 -1 -4 5 5.90 0.90 -1 -4 5 5.30 0.80 -1 -4 5 4.20 0.90 -1 -4 5 5.30 0.80 0 4 -5 297.37 20.80 0 4 -5 305.07 20.70 0 4 -5 286.97 20.70 0 4 -5 236.18 21.00 0 4 -5 266.87 20.70 0 -4 5 238.68 21.00 0 -4 5 291.07 20.80 0 -4 5 273.37 20.80 0 -4 5 291.17 20.70 0 -4 5 271.27 20.70 -1 4 -5 0.00 0.60 -1 4 -5 0.80 0.50 -1 4 -5 0.90 0.40 1 -4 5 0.10 0.60 1 -4 5 -0.30 0.50 1 -4 5 0.70 0.30 1 -4 5 0.70 0.40 1 -4 5 0.20 0.50 1 -4 5 1.10 0.40 -2 4 -5 11.70 1.10 -2 4 -5 12.10 1.20 -2 4 -5 8.20 1.60 -2 4 -5 9.00 1.30 2 -4 5 11.00 1.00 2 -4 5 8.00 1.50 2 -4 5 9.60 1.30 2 -4 5 10.30 1.10 2 -4 5 11.80 1.50 2 -4 5 11.50 1.00 -3 4 -5 0.40 0.50 -3 4 -5 0.90 0.50 -3 4 -5 0.40 0.60 -3 4 -5 0.50 0.70 3 -4 5 1.00 0.30 3 -4 5 0.00 0.40 3 -4 5 -0.20 0.60 3 -4 5 0.10 0.40 3 -4 5 1.30 0.70 3 -4 5 0.70 0.60 -4 4 -5 351.26 23.80 -4 4 -5 288.47 24.00 -4 4 -5 294.17 24.50 -4 4 -5 321.47 24.10 -4 4 -5 332.77 23.90 4 -4 5 289.27 24.50 4 -4 5 299.57 23.80 4 -4 5 363.76 24.30 4 -4 5 300.97 23.90 4 -4 5 330.37 24.10 -5 4 -5 6.20 1.40 -5 4 -5 8.80 1.80 -5 4 -5 11.00 1.60 -5 4 -5 10.60 1.60 5 -4 5 7.50 1.80 5 -4 5 12.20 1.30 5 -4 5 10.60 1.20 5 -4 5 9.20 1.60 5 -4 5 11.50 1.70 -6 4 -5 43.20 3.90 -6 4 -5 36.60 4.40 -6 4 -5 52.29 3.80 -6 4 -5 45.80 4.20 6 -4 5 37.40 3.70 6 -4 5 37.30 4.50 6 -4 5 48.90 4.00 6 -4 5 53.29 4.40 6 -4 5 41.90 3.60 -7 4 -5 47.60 5.20 -7 4 -5 60.59 4.80 -7 4 -5 62.69 4.90 7 -4 5 57.79 4.70 7 -4 5 47.70 4.30 7 -4 5 49.50 4.50 7 -4 5 45.80 5.20 -8 4 -5 3.60 1.40 -8 4 -5 3.90 1.20 -8 4 -5 2.80 0.70 8 -4 5 2.70 0.70 8 -4 5 3.20 1.60 8 -4 5 1.30 1.10 -9 4 -5 -0.50 1.00 -9 4 -5 -0.20 1.30 -9 4 -5 -0.10 0.70 9 -4 5 -1.50 1.00 9 -4 5 -0.50 0.50 9 -4 5 -2.40 1.70 9 3 -5 1.20 1.20 9 3 -5 1.30 0.90 9 3 -5 3.50 1.70 -9 -3 5 1.90 1.40 -9 -3 5 1.70 1.20 -9 -3 5 1.80 1.20 8 3 -5 12.00 2.10 8 3 -5 9.80 1.80 8 3 -5 10.00 1.70 8 3 -5 14.80 1.80 -8 -3 5 8.30 1.60 -8 -3 5 9.80 1.80 -8 -3 5 10.40 1.90 7 3 -5 4.00 1.00 7 3 -5 4.40 1.30 7 3 -5 8.10 1.30 7 3 -5 5.80 1.60 -7 -3 5 4.60 1.20 -7 -3 5 5.20 1.20 -7 -3 5 4.20 1.30 6 3 -5 2.80 1.10 6 3 -5 2.50 0.70 6 3 -5 1.60 1.20 -6 -3 5 0.80 1.10 -6 -3 5 3.30 1.00 -6 -3 5 3.00 1.00 5 3 -5 38.80 3.70 5 3 -5 38.20 3.40 5 3 -5 42.30 3.30 5 3 -5 41.20 3.70 -5 -3 5 39.40 3.50 -5 -3 5 42.20 3.30 -5 -3 5 36.50 3.60 4 3 -5 59.39 4.90 4 3 -5 64.39 4.90 4 3 -5 58.19 4.60 4 3 -5 57.59 4.60 4 3 -5 50.99 4.60 -4 -3 5 57.59 4.80 -4 -3 5 58.29 4.50 -4 -3 5 57.99 4.70 3 3 -5 174.18 12.90 3 3 -5 176.78 13.00 3 3 -5 172.18 12.90 3 3 -5 170.28 12.90 -3 -3 5 174.68 12.80 -3 -3 5 149.29 12.80 -3 -3 5 176.78 13.00 -3 -3 5 166.58 13.00 2 3 -5 -0.50 0.30 2 3 -5 -0.20 0.20 2 3 -5 -0.10 0.30 2 3 -5 -0.70 0.40 2 3 -5 0.00 0.30 -2 -3 5 -0.70 0.50 -2 -3 5 0.10 0.20 -2 -3 5 0.00 0.30 -2 -3 5 -0.20 0.40 -2 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4 -3 5 166.38 11.80 4 -3 5 145.89 11.50 4 -3 5 141.99 11.60 -5 3 -5 2.20 0.90 -5 3 -5 1.70 0.80 -5 3 -5 4.00 0.80 -5 3 -5 2.80 1.10 5 -3 5 2.70 0.70 5 -3 5 1.70 0.60 5 -3 5 2.40 0.90 5 -3 5 3.20 0.60 5 -3 5 2.80 1.20 5 -3 5 2.60 1.10 -6 3 -5 86.39 8.10 -6 3 -5 103.99 7.70 -6 3 -5 116.19 7.90 6 -3 5 83.89 7.50 6 -3 5 82.69 8.10 6 -3 5 106.59 7.70 6 -3 5 90.49 7.40 -7 3 -5 65.09 6.50 -7 3 -5 83.39 6.00 -7 3 -5 69.49 5.60 -7 3 -5 84.49 6.10 7 -3 5 62.19 5.60 7 -3 5 64.99 6.50 7 -3 5 78.89 6.00 7 -3 5 63.09 5.80 -8 3 -5 0.00 0.90 -8 3 -5 0.20 0.50 -8 3 -5 0.80 0.80 -8 3 -5 1.80 1.20 -8 3 -5 -0.70 1.10 8 -3 5 0.90 1.20 8 -3 5 -0.40 0.90 8 -3 5 0.80 0.70 8 -3 5 0.10 0.50 8 -3 5 -0.90 1.30 -9 3 -5 2.30 0.70 -9 3 -5 2.90 1.20 -9 3 -5 2.50 1.20 9 -3 5 2.70 0.70 9 -3 5 1.10 1.20 10 2 -5 13.50 2.70 10 2 -5 17.70 2.80 10 2 -5 18.60 2.50 -10 -2 5 17.20 2.60 -10 -2 5 12.90 2.40 -10 -2 5 17.40 2.70 9 2 -5 4.00 1.10 9 2 -5 3.30 1.40 9 2 -5 4.90 1.60 9 2 -5 2.90 1.60 -9 -2 5 4.00 1.40 -9 -2 5 4.10 1.50 -9 -2 5 3.50 1.30 8 2 -5 5.90 1.10 8 2 -5 5.80 1.10 8 2 -5 7.40 1.70 8 2 -5 5.80 1.40 -8 -2 5 6.50 1.30 -8 -2 5 4.90 1.40 -8 -2 5 6.40 1.40 7 2 -5 54.29 4.40 7 2 -5 48.30 4.40 7 2 -5 53.99 4.90 7 2 -5 52.79 4.80 -7 -2 5 55.49 4.70 -7 -2 5 50.89 4.70 -7 -2 5 49.50 4.50 6 2 -5 172.68 13.30 6 2 -5 163.08 13.10 6 2 -5 174.28 13.10 6 2 -5 178.78 13.50 -6 -2 5 165.68 13.30 -6 -2 5 171.48 13.20 -6 -2 5 169.38 13.30 5 2 -5 10.60 1.30 5 2 -5 13.30 1.40 5 2 -5 14.10 1.70 5 2 -5 11.90 1.40 5 2 -5 13.10 1.80 -5 -2 5 15.10 1.70 -5 -2 5 12.30 1.50 -5 -2 5 14.80 1.80 4 2 -5 0.20 0.40 4 2 -5 -0.10 0.50 4 2 -5 0.20 0.40 4 2 -5 0.10 0.30 -4 -2 5 0.00 0.30 -4 -2 5 -0.40 0.60 -4 -2 5 0.20 0.40 -4 -2 5 0.70 0.60 -4 -2 5 0.80 0.50 3 2 -5 23.50 2.00 3 2 -5 26.10 2.10 3 2 -5 24.70 2.20 3 2 -5 24.90 2.10 -3 -2 5 25.20 2.20 -3 -2 5 20.50 2.20 -3 -2 5 24.00 2.10 -3 -2 5 25.80 2.00 2 2 -5 1214.98 84.39 2 2 -5 1089.09 83.69 2 2 -5 1146.19 84.09 2 2 -5 1109.79 83.69 -2 -2 5 1059.79 83.79 -2 -2 5 1085.89 83.69 -2 -2 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0.90 1.80 3 5 -14 2.40 1.20 3 5 -14 3.50 1.20 -3 -5 14 1.60 1.70 -3 -5 14 4.40 1.60 2 5 -14 7.10 1.40 2 5 -14 7.10 1.60 -2 -5 14 11.90 1.90 -2 -5 14 8.30 1.90 1 5 -14 -1.00 1.30 1 5 -14 -0.10 1.00 -1 -5 14 -0.80 1.20 0 5 -14 1.00 1.00 0 5 -14 1.50 1.70 0 -5 14 1.60 1.20 -1 5 -14 20.90 3.20 1 -5 14 26.20 2.90 1 -5 14 19.90 2.60 -2 5 -14 0.80 1.40 -2 5 -14 -0.70 1.70 2 -5 14 -1.60 1.50 2 -5 14 1.10 1.10 2 -5 14 -0.10 1.30 6 4 -14 4.60 1.80 -6 -4 14 0.70 1.70 -6 -4 14 -1.30 2.00 5 4 -14 3.50 1.10 -5 -4 14 4.00 2.20 -5 -4 14 3.40 1.80 4 4 -14 0.90 0.90 4 4 -14 0.20 1.00 -4 -4 14 -0.40 1.40 -4 -4 14 -0.60 1.80 3 4 -14 2.10 1.20 3 4 -14 2.70 1.00 -3 -4 14 3.00 1.40 -3 -4 14 2.60 1.60 2 4 -14 5.50 1.20 2 4 -14 6.40 1.50 -2 -4 14 4.40 1.40 -2 -4 14 2.90 1.60 1 4 -14 0.00 1.40 1 4 -14 0.20 1.00 -1 -4 14 0.50 1.20 -1 -4 14 -0.20 1.10 0 4 -14 8.50 1.90 0 4 -14 9.00 1.40 0 -4 14 8.40 1.50 0 -4 14 10.40 1.70 -1 4 -14 -0.70 1.60 -1 4 -14 -0.30 1.30 1 -4 14 1.10 1.00 1 -4 14 1.90 1.00 -2 4 -14 -0.90 1.60 -2 4 -14 -0.10 1.30 2 -4 14 -0.10 1.00 2 -4 14 -1.00 1.00 6 3 -14 7.40 1.40 -6 -3 14 7.10 1.80 -6 -3 14 7.80 2.30 5 3 -14 9.70 1.80 5 3 -14 11.20 1.80 -5 -3 14 10.30 2.30 -5 -3 14 10.60 1.80 4 3 -14 5.30 1.30 4 3 -14 6.00 1.20 -4 -3 14 9.40 1.60 -4 -3 14 7.80 2.00 3 3 -14 0.50 0.90 3 3 -14 -0.60 1.00 -3 -3 14 -2.80 1.30 2 3 -14 -0.90 1.20 2 3 -14 1.70 0.90 -2 -3 14 1.10 1.30 -2 -3 14 1.00 1.10 1 3 -14 0.60 0.80 1 3 -14 -1.50 1.20 -1 -3 14 -0.50 1.00 -1 -3 14 -0.20 1.10 0 3 -14 5.10 1.30 0 3 -14 5.40 1.70 0 -3 14 4.00 1.30 0 -3 14 4.70 1.20 -1 3 -14 -1.20 1.50 -1 3 -14 -1.00 1.20 -1 3 -14 -0.10 0.70 1 -3 14 0.00 0.90 1 -3 14 0.00 0.90 1 -3 14 0.30 0.90 -2 3 -14 1.20 1.70 -2 3 -14 3.10 1.60 -2 3 -14 1.90 0.80 2 -3 14 2.30 1.00 2 -3 14 4.10 1.10 2 -3 14 1.40 1.00 -3 3 -14 2.10 1.60 -3 3 -14 2.20 0.90 -3 3 -14 1.90 1.90 3 -3 14 1.90 1.90 3 -3 14 3.80 1.10 -7 -2 14 1.60 2.50 6 2 -14 3.30 1.10 6 2 -14 2.90 1.00 -6 -2 14 3.40 2.00 5 2 -14 1.70 1.00 5 2 -14 1.90 0.90 -5 -2 14 0.50 1.60 -5 -2 14 0.70 1.40 4 2 -14 -0.20 0.90 4 2 -14 0.50 0.80 -4 -2 14 -2.60 1.40 -4 -2 14 0.00 1.20 3 2 -14 0.10 0.80 3 2 -14 -0.20 1.00 -3 -2 14 -1.40 1.50 -3 -2 14 -0.20 1.10 2 2 -14 2.20 1.30 2 2 -14 4.40 1.00 -2 -2 14 3.20 1.10 -2 -2 14 1.20 1.40 -2 -2 14 2.50 1.40 1 2 -14 1.20 1.30 -1 -2 14 2.50 1.00 -1 -2 14 2.90 1.20 0 2 -14 6.30 1.40 0 2 -14 6.30 1.70 0 -2 14 6.70 1.50 0 -2 14 5.70 1.30 -1 2 -14 -1.60 1.30 -1 2 -14 -0.70 1.40 1 -2 14 1.40 1.30 1 -2 14 0.50 0.90 1 -2 14 0.80 1.00 -2 2 -14 24.20 2.50 -2 2 -14 30.10 3.40 -2 2 -14 28.40 3.40 2 -2 14 24.30 2.70 2 -2 14 20.50 2.60 2 -2 14 27.70 2.60 3 -2 14 2.60 1.10 7 1 -14 1.10 0.90 -7 -1 14 -4.30 2.00 6 1 -14 4.80 1.20 6 1 -14 4.80 1.30 -6 -1 14 6.00 2.00 5 1 -14 0.60 0.80 5 1 -14 0.80 1.10 -5 -1 14 -2.00 1.50 4 1 -14 10.30 1.60 4 1 -14 6.90 1.50 -4 -1 14 9.10 1.70 -4 -1 14 9.60 1.90 3 1 -14 0.20 1.10 3 1 -14 1.20 0.70 -3 -1 14 0.30 1.00 -3 -1 14 -1.60 1.40 -3 -1 14 -0.10 1.40 2 1 -14 3.40 1.30 -2 -1 14 3.80 1.10 -2 -1 14 4.90 1.50 1 1 -14 -0.70 0.80 1 1 -14 -1.30 1.10 -1 -1 14 0.00 0.80 -1 -1 14 -0.40 1.00 0 1 -14 -0.50 1.00 0 1 -14 -0.80 1.20 0 -1 14 -1.00 0.90 0 -1 14 -0.40 0.90 -1 1 -14 0.40 1.30 -1 1 -14 -1.70 1.30 1 -1 14 1.30 0.90 1 -1 14 0.90 0.90 -2 1 -14 -0.30 0.70 -2 1 -14 -1.10 1.40 -2 1 -14 -0.50 1.40 2 -1 14 1.70 0.90 2 -1 14 2.30 1.00 2 -1 14 0.70 0.90 7 0 -14 2.00 1.00 7 0 -14 1.80 1.00 -7 0 14 -0.60 1.40 -7 0 14 -1.40 1.80 6 0 -14 0.60 0.90 6 0 -14 1.20 1.00 -6 0 14 -3.50 1.60 5 0 -14 0.60 1.00 5 0 -14 1.40 0.80 -5 0 14 -2.70 1.50 4 0 -14 15.40 1.90 4 0 -14 12.60 2.20 -4 0 14 20.30 2.60 3 0 -14 3.80 1.30 -3 0 14 6.00 1.50 2 0 -14 0.60 1.10 -2 0 14 0.20 1.10 -2 0 14 0.60 0.80 1 0 -14 6.90 1.60 1 0 -14 7.70 1.40 -1 0 14 7.80 1.40 -1 0 14 6.50 1.20 0 0 -14 15.80 2.30 0 0 -14 17.90 2.50 0 0 14 14.90 2.10 0 0 14 12.90 1.90 -1 0 -14 -0.40 1.40 -1 0 -14 -1.40 1.20 1 0 14 0.60 0.80 1 0 14 1.30 1.10 -2 0 -14 3.00 0.90 -2 0 -14 3.70 1.60 -2 0 -14 5.00 1.50 2 0 14 4.40 1.00 2 0 14 4.20 1.20 2 0 14 3.60 1.00 7 -1 -14 2.00 1.10 7 -1 -14 2.20 1.00 -7 1 14 -0.90 1.50 -7 1 14 -1.50 1.80 6 -1 -14 1.50 0.80 6 -1 -14 1.10 1.00 -6 1 14 -2.00 1.50 -6 1 14 -1.60 1.20 5 -1 -14 4.60 1.00 5 -1 -14 4.10 1.30 -5 1 14 4.00 1.80 -5 1 14 3.10 1.60 4 -1 -14 1.50 1.10 -4 1 14 1.00 1.30 3 -1 -14 1.10 1.10 -3 1 14 1.00 1.20 2 -1 -14 0.60 0.80 2 -1 -14 0.20 1.10 -2 1 14 0.60 1.10 1 -1 -14 2.10 1.20 1 -1 -14 1.50 1.00 -1 1 14 1.60 1.10 -1 1 14 0.90 0.90 0 -1 -14 11.80 2.10 0 -1 -14 8.20 1.60 0 1 14 6.20 1.20 0 1 14 7.90 1.40 -1 -1 -14 1.30 1.20 -1 -1 -14 0.70 1.20 1 1 14 1.70 1.00 1 1 14 1.20 0.80 6 -2 -14 5.00 1.10 6 -2 -14 5.50 1.40 -6 2 14 6.40 1.80 -6 2 14 4.40 1.50 5 -2 -14 2.00 1.10 -5 2 14 1.30 1.40 -5 2 14 -0.40 1.20 4 -2 -14 5.60 1.50 -4 2 14 5.40 1.40 -4 2 14 9.30 1.60 3 -2 -14 0.80 1.00 3 -2 -14 1.70 1.10 -3 2 14 0.90 1.20 2 -2 -14 0.50 1.00 2 -2 -14 0.00 0.90 -2 2 14 0.40 1.00 1 -2 -14 2.90 1.10 1 -2 -14 1.40 1.10 -1 2 14 1.30 1.00 0 -2 -14 0.70 1.10 0 -2 -14 -0.70 1.00 0 2 14 1.30 0.90 6 -3 -14 2.80 1.50 -6 3 14 1.20 1.50 -6 3 14 0.00 1.40 5 -3 -14 3.70 1.30 -5 3 14 -1.30 1.20 -5 3 14 1.50 1.40 4 -3 -14 4.50 1.30 -4 3 14 6.80 1.60 -4 3 14 3.00 1.30 3 -3 -14 2.10 1.10 3 -3 -14 2.30 1.00 -3 3 14 -0.80 1.20 -3 3 14 1.70 1.20 2 -3 -14 2.90 1.10 2 -3 -14 1.50 1.00 -2 3 14 3.00 1.30 1 -3 -14 1.00 1.00 1 -3 -14 0.70 1.10 -1 3 14 1.50 1.00 -4 4 14 0.00 1.30 -4 4 14 3.10 1.30 -3 4 14 2.90 1.40 -3 4 14 5.10 1.30 3 5 -15 -0.30 1.00 3 5 -15 -0.20 1.10 -3 -5 15 -1.70 1.60 2 5 -15 -1.30 1.10 2 5 -15 -1.20 1.30 -2 -5 15 -1.40 1.50 1 5 -15 0.40 1.10 1 5 -15 0.70 1.50 -1 -5 15 -0.40 1.40 0 5 -15 19.20 3.20 0 5 -15 18.20 2.60 0 -5 15 19.80 3.00 4 4 -15 1.00 1.10 4 4 -15 1.20 0.90 -4 -4 15 -0.30 1.50 -4 -4 15 -2.80 1.70 3 4 -15 0.80 1.00 3 4 -15 -0.10 1.10 -3 -4 15 -3.30 1.50 -3 -4 15 -1.80 1.40 2 4 -15 0.80 1.10 2 4 -15 -0.80 1.20 -2 -4 15 -0.50 1.30 -2 -4 15 -3.10 1.60 1 4 -15 8.90 1.60 1 4 -15 8.60 2.00 -1 -4 15 10.00 1.70 -1 -4 15 9.70 1.80 0 4 -15 8.60 2.00 0 -4 15 9.30 1.60 -1 4 -15 5.50 2.40 -1 4 -15 5.20 2.10 1 -4 15 6.40 1.50 5 3 -15 1.30 0.90 5 3 -15 2.80 1.10 -5 -3 15 -3.40 2.00 -5 -3 15 -2.50 1.40 4 3 -15 5.70 1.30 4 3 -15 6.20 1.50 -4 -3 15 6.20 2.00 -4 -3 15 5.50 1.80 3 3 -15 6.90 1.30 3 3 -15 8.40 1.70 -3 -3 15 11.10 1.90 -3 -3 15 10.30 2.10 2 3 -15 2.80 1.00 2 3 -15 1.50 1.40 -2 -3 15 2.70 1.50 -2 -3 15 1.50 1.40 1 3 -15 2.10 1.50 -1 -3 15 3.50 1.40 -1 -3 15 3.70 1.30 0 3 -15 2.20 1.80 0 -3 15 2.80 1.20 0 -3 15 4.20 1.50 -1 3 -15 2.40 1.80 -1 3 -15 0.00 1.40 1 -3 15 2.10 1.20 1 -3 15 -0.40 1.10 5 2 -15 0.20 0.80 5 2 -15 1.40 1.00 -5 -2 15 -1.60 1.80 4 2 -15 5.60 1.40 4 2 -15 5.40 1.20 -4 -2 15 5.50 1.90 -4 -2 15 6.90 1.70 3 2 -15 -0.40 1.10 3 2 -15 1.30 0.80 -3 -2 15 -1.30 1.20 2 2 -15 4.40 1.60 -2 -2 15 5.30 1.50 -2 -2 15 5.60 1.40 1 2 -15 1.80 1.60 -1 -2 15 2.20 1.30 -1 -2 15 2.60 1.20 0 2 -15 1.30 1.70 0 2 -15 0.00 1.10 0 -2 15 0.20 1.10 0 -2 15 1.30 1.00 -1 2 -15 -1.30 1.30 -1 2 -15 -0.60 1.60 1 -2 15 -1.10 1.00 1 -2 15 1.70 1.20 -6 -1 15 8.70 2.80 5 1 -15 0.70 0.80 5 1 -15 0.40 1.00 -5 -1 15 -3.10 1.60 4 1 -15 0.60 0.80 4 1 -15 -0.10 1.20 -4 -1 15 -2.60 1.50 3 1 -15 0.50 1.20 -3 -1 15 -0.80 1.30 -3 -1 15 -0.40 1.00 2 1 -15 2.10 1.30 -2 -1 15 1.00 1.00 -2 -1 15 1.30 1.50 1 1 -15 0.80 1.30 -1 -1 15 0.10 1.30 -1 -1 15 0.30 1.00 0 1 -15 10.60 2.10 0 1 -15 10.10 1.90 0 -1 15 11.80 2.00 0 -1 15 9.20 1.60 -1 1 -15 2.90 1.70 -1 1 -15 2.40 1.40 1 -1 15 4.80 1.20 1 -1 15 4.00 1.10 5 0 -15 0.20 1.00 5 0 -15 1.30 0.90 -5 0 15 -2.40 1.60 4 0 -15 0.20 1.00 -4 0 15 -1.40 1.40 3 0 -15 1.10 1.10 -3 0 15 -0.10 1.30 2 0 -15 0.80 1.20 -2 0 15 1.60 1.20 1 0 -15 17.60 2.70 1 0 -15 18.40 2.60 -1 0 15 16.30 2.20 -1 0 15 19.50 2.70 0 0 -15 0.90 1.30 0 0 -15 1.90 1.50 0 0 15 1.90 1.20 0 0 15 1.30 0.90 5 -1 -15 4.90 1.40 -5 1 15 5.80 1.80 4 -1 -15 1.60 1.20 -4 1 15 0.60 1.40 3 -1 -15 2.30 1.20 -3 1 15 2.40 1.40 2 -1 -15 0.10 1.00 2 -1 -15 0.80 1.10 -2 1 15 -0.80 1.10 1 -1 -15 2.30 1.10 1 -1 -15 3.20 1.30 -1 1 15 3.00 1.20 4 -2 -15 4.00 1.50 -4 2 15 3.70 1.70 3 -2 -15 0.40 1.10 -3 2 15 -0.20 1.20 2 -2 -15 2.90 1.20 -2 2 15 3.00 1.40 _computing_structure_solution 'SHELXT 2014/4 (Sheldrick, 2014)' ; _shelx_hkl_checksum 30158 loop_ _space_group_symop_operation_xyz 'x, y, z' '-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 O1 O 0.25832(17) 0.18653(16) 0.29532(12) 0.0471(4) Uani 1 1 d . . O2 O -0.23908(18) 0.05316(19) 0.06709(13) 0.0535(4) Uani 1 1 d . . O3 O -0.0130(2) -0.04063(19) 0.13373(17) 0.0652(5) Uani 1 1 d . . N2 N 0.63043(18) 0.33339(18) 0.54386(13) 0.0368(4) Uani 1 1 d . . N1 N 0.3694(2) 0.16099(17) 0.48925(15) 0.0394(4) Uani 1 1 d . . C8 C 0.6375(2) 0.4346(2) 0.36053(15) 0.0352(4) Uani 1 1 d . . C17 C -0.0792(2) 0.0687(2) 0.13343(17) 0.0427(4) Uani 1 1 d . . C7 C 0.5495(2) 0.3380(2) 0.42976(15) 0.0347(4) Uani 1 1 d . . C14 C 0.3884(2) 0.2344(2) 0.39743(16) 0.0387(4) Uani 1 1 d . . C6 C 0.5217(2) 0.2261(2) 0.57817(16) 0.0374(4) Uani 1 1 d . . C9 C 0.8059(2) 0.5263(2) 0.40899(18) 0.0453(5) Uani 1 1 d . . H9 H 0.8604 0.5268 0.4865 0.054 Uiso 1 1 calc R U C16 C -0.0047(3) 0.2322(3) 0.20236(19) 0.0488(5) Uani 1 1 d . . H16 H -0.0703 0.3057 0.1918 0.059 Uiso 1 1 calc R U C15 C 0.1487(2) 0.2840(2) 0.27861(17) 0.0437(4) Uani 1 1 d . . H15 H 0.1831 0.3889 0.3219 0.052 Uiso 1 1 calc R U C2 C 0.5389(3) 0.1701(3) 0.68456(19) 0.0479(5) Uani 1 1 d . . C5 C 0.2367(3) 0.0418(2) 0.4984(2) 0.0516(5) Uani 1 1 d . . H5 H 0.1370 0.0008 0.4370 0.062 Uiso 1 1 calc R U C10 C 0.8944(3) 0.6162(3) 0.3455(2) 0.0530(5) Uani 1 1 d . . H10 H 1.0070 0.6767 0.3803 0.064 Uiso 1 1 calc R U C13 C 0.5615(3) 0.4367(3) 0.2445(2) 0.0569(6) Uani 1 1 d . . H13 H 0.4491 0.3762 0.2088 0.068 Uiso 1 1 calc R U C18 C -0.3230(3) -0.1014(3) -0.0074(2) 0.0629(6) Uani 1 1 d . . H18A H -0.2603 -0.1236 -0.0647 0.094 Uiso 1 1 calc R U H18B H -0.4382 -0.1027 -0.0473 0.094 Uiso 1 1 calc R U H18C H -0.3266 -0.1816 0.0397 0.094 Uiso 1 1 calc R U C3 C 0.4058(3) 0.0504(3) 0.6918(2) 0.0582(6) Uani 1 1 d . . H3 H 0.4153 0.0102 0.7605 0.070 Uiso 1 1 calc R U C4 C 0.2553(3) -0.0138(3) 0.5990(2) 0.0608(6) Uani 1 1 d . . H4 H 0.1680 -0.0954 0.6072 0.073 Uiso 1 1 calc R U C11 C 0.8166(3) 0.6169(3) 0.2307(2) 0.0585(6) Uani 1 1 d . . H11 H 0.8759 0.6772 0.1872 0.070 Uiso 1 1 calc R U C12 C 0.6508(3) 0.5275(4) 0.1815(2) 0.0707(8) Uani 1 1 d . . H12 H 0.5973 0.5280 0.1039 0.085 Uiso 1 1 calc R U C1 C 0.7001(3) 0.2420(4) 0.7814(2) 0.0673(7) Uani 1 1 d . . H1A H 0.6855 0.2072 0.8523 0.101 Uiso 1 1 calc R U H1B H 0.7242 0.3568 0.7950 0.101 Uiso 1 1 calc R U H1C H 0.7942 0.2083 0.7591 0.101 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 0.0383(7) 0.0435(8) 0.0479(8) -0.0018(6) -0.0010(6) 0.0071(5) O2 0.0416(7) 0.0606(9) 0.0497(8) 0.0055(7) -0.0009(6) 0.0123(6) O3 0.0512(9) 0.0450(9) 0.0843(12) 0.0090(8) -0.0079(8) 0.0100(7) N2 0.0355(7) 0.0382(8) 0.0383(8) 0.0129(6) 0.0084(6) 0.0107(6) N1 0.0399(8) 0.0305(7) 0.0485(9) 0.0086(6) 0.0146(7) 0.0074(6) C8 0.0364(8) 0.0317(8) 0.0376(9) 0.0098(7) 0.0078(7) 0.0092(6) C17 0.0358(9) 0.0493(11) 0.0409(10) 0.0154(8) 0.0056(7) 0.0074(7) C7 0.0352(8) 0.0306(8) 0.0374(9) 0.0081(7) 0.0070(7) 0.0081(6) C14 0.0375(9) 0.0337(9) 0.0406(9) 0.0042(7) 0.0053(7) 0.0073(7) C6 0.0393(9) 0.0338(8) 0.0439(10) 0.0116(7) 0.0142(7) 0.0135(7) C9 0.0386(9) 0.0504(11) 0.0422(10) 0.0114(8) 0.0059(7) 0.0050(8) C16 0.0475(10) 0.0472(11) 0.0495(11) 0.0113(9) 0.0034(8) 0.0162(8) C15 0.0463(10) 0.0370(9) 0.0436(10) 0.0074(8) 0.0070(8) 0.0073(7) C2 0.0560(12) 0.0510(11) 0.0518(11) 0.0238(9) 0.0254(9) 0.0251(9) C5 0.0467(11) 0.0370(10) 0.0718(14) 0.0093(9) 0.0237(10) 0.0055(8) C10 0.0417(10) 0.0539(12) 0.0602(13) 0.0184(10) 0.0124(9) 0.0020(9) C13 0.0481(11) 0.0657(14) 0.0463(12) 0.0227(10) -0.0018(9) -0.0012(10) C18 0.0456(11) 0.0669(15) 0.0599(14) -0.0004(11) -0.0005(10) 0.0044(10) C3 0.0722(15) 0.0551(13) 0.0692(15) 0.0319(11) 0.0407(12) 0.0265(11) C4 0.0631(14) 0.0475(12) 0.0830(17) 0.0230(11) 0.0387(13) 0.0110(10) C11 0.0588(13) 0.0573(13) 0.0662(14) 0.0334(11) 0.0198(11) 0.0112(10) C12 0.0649(15) 0.0883(19) 0.0546(14) 0.0398(13) 0.0028(11) 0.0063(13) C1 0.0648(15) 0.0914(19) 0.0549(14) 0.0376(13) 0.0133(11) 0.0262(13) 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 C14 O1 C15 116.03(14) C17 O2 C18 115.59(17) C6 N2 C7 106.48(15) C14 N1 C5 130.49(18) C14 N1 C6 106.06(14) C5 N1 C6 123.39(18) C13 C8 C9 117.17(18) C13 C8 C7 122.63(17) C9 C8 C7 120.18(16) O3 C17 O2 122.53(19) O3 C17 C16 126.83(17) O2 C17 C16 110.64(17) C14 C7 N2 108.93(16) C14 C7 C8 129.47(17) N2 C7 C8 121.51(15) N1 C14 O1 118.11(16) N1 C14 C7 107.77(16) O1 C14 C7 133.94(18) N2 C6 N1 110.73(16) N2 C6 C2 130.86(18) N1 C6 C2 118.40(17) C10 C9 C8 121.83(19) C10 C9 H9 119.1 C8 C9 H9 119.1 C15 C16 C17 125.14(18) C15 C16 H16 117.4 C17 C16 H16 117.4 C16 C15 O1 121.53(18) C16 C15 H15 119.2 O1 C15 H15 119.2 C3 C2 C6 117.4(2) C3 C2 C1 123.9(2) C6 C2 C1 118.7(2) C4 C5 N1 118.0(2) C4 C5 H5 121.0 N1 C5 H5 121.0 C9 C10 C11 120.1(2) C9 C10 H10 120.0 C11 C10 H10 120.0 C12 C13 C8 120.7(2) C12 C13 H13 119.7 C8 C13 H13 119.7 O2 C18 H18A 109.5 O2 C18 H18B 109.5 H18A C18 H18B 109.5 O2 C18 H18C 109.5 H18A C18 H18C 109.5 H18B C18 H18C 109.5 C2 C3 C4 122.3(2) C2 C3 H3 118.8 C4 C3 H3 118.8 C5 C4 C3 120.5(2) C5 C4 H4 119.7 C3 C4 H4 119.7 C12 C11 C10 119.0(2) C12 C11 H11 120.5 C10 C11 H11 120.5 C11 C12 C13 121.3(2) C11 C12 H12 119.4 C13 C12 H12 119.4 C2 C1 H1A 109.5 C2 C1 H1B 109.5 H1A C1 H1B 109.5 C2 C1 H1C 109.5 H1A C1 H1C 109.5 H1B C1 H1C 109.5 loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance O1 C14 1.369(2) O1 C15 1.372(2) O2 C17 1.345(2) O2 C18 1.432(3) O3 C17 1.197(3) N2 C6 1.327(2) N2 C7 1.383(2) N1 C14 1.366(2) N1 C5 1.374(2) N1 C6 1.393(2) C8 C13 1.386(3) C8 C9 1.389(2) C8 C7 1.456(2) C17 C16 1.461(3) C7 C14 1.372(2) C6 C2 1.412(3) C9 C10 1.375(3) C9 H9 0.9300 C16 C15 1.322(3) C16 H16 0.9300 C15 H15 0.9300 C2 C3 1.370(3) C2 C1 1.494(3) C5 C4 1.346(4) C5 H5 0.9300 C10 C11 1.373(3) C10 H10 0.9300 C13 C12 1.379(3) C13 H13 0.9300 C18 H18A 0.9600 C18 H18B 0.9600 C18 H18C 0.9600 C3 C4 1.407(4) C3 H3 0.9300 C4 H4 0.9300 C11 C12 1.367(3) C11 H11 0.9300 C12 H12 0.9300 C1 H1A 0.9600 C1 H1B 0.9600 C1 H1C 0.9600