#------------------------------------------------------------------------------ #$Date: 2019-06-12 11:35:43 +0300 (Wed, 12 Jun 2019) $ #$Revision: 215881 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/55/13/1551363.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_1551363 loop_ _publ_author_name 'Xiaoyan Wang' 'Linjiang Chen' 'Samantha Y. Chong' 'Marc A. Little' 'Yongzhen Wu' 'Wei-Hong Zhu' 'Rob Clowes' 'Yong Yan' 'Martijn A. Zwijnenburg' 'Reiner Sebastian Sprick' 'Andrew I. Cooper' _publ_section_title ; Sulfone-containing covalent organic frameworks for photocatalytic hydrogen evolution from water ; _journal_name_full 'Nature Chemistry' _journal_page_first 1180 _journal_page_last 1189 _journal_paper_doi 10.1038/s41557-018-0141-5 _journal_volume 10 _journal_year 2018 _chemical_formula_moiety 'C18 H12 N2 O4 S2' _chemical_formula_sum 'C18 H12 N2 O4 S2' _chemical_formula_weight 384.42 _space_group_crystal_system monoclinic _space_group_IT_number 14 _space_group_name_Hall '-P 2ybc' _space_group_name_H-M_alt 'P 1 21/c 1' _atom_sites_solution_hydrogens mixed _cell_angle_alpha 90 _cell_angle_beta 97.082(3) _cell_angle_gamma 90 _cell_formula_units_Z 2 _cell_length_a 5.8666(2) _cell_length_b 10.0313(3) _cell_length_c 13.5015(4) _cell_measurement_reflns_used 6289 _cell_measurement_temperature 100 _cell_measurement_theta_max 34.8814490923 _cell_measurement_theta_min 2.45808164136 _cell_volume 788.50(4) _computing_data_collection 'Diamond Light Source I19, UK, data collection software' _computing_molecular_graphics 'Olex2 (Dolomanov et al., 2009)' _computing_publication_material 'Olex2 (Dolomanov et al., 2009)' _computing_structure_refinement 'XL (Sheldrick, 2008)' _diffrn_ambient_temperature 100.0 _diffrn_detector 'Photon counting pixel array' _diffrn_detector_type PILATUS_2M_S_N_24_0107_Diamond _diffrn_measured_fraction_theta_full 0.987 _diffrn_measured_fraction_theta_max 0.985 _diffrn_measurement_device 'Fixed \c 3-circle diffractometer' _diffrn_measurement_device_type 'Fluid Film Devices' _diffrn_measurement_method 'shutterless scans' _diffrn_radiation_collimation '0.3 x 1.5 Double Pinhole' _diffrn_radiation_monochromator 'Silicon 111' _diffrn_radiation_probe x-ray _diffrn_radiation_type Synchrotron _diffrn_radiation_wavelength 0.6889 _diffrn_reflns_av_R_equivalents 0.0402 _diffrn_reflns_av_unetI/netI 0.0307 _diffrn_reflns_Laue_measured_fraction_full 0.987 _diffrn_reflns_Laue_measured_fraction_max 0.985 _diffrn_reflns_limit_h_max 7 _diffrn_reflns_limit_h_min -7 _diffrn_reflns_limit_k_max 11 _diffrn_reflns_limit_k_min -13 _diffrn_reflns_limit_l_max 17 _diffrn_reflns_limit_l_min -17 _diffrn_reflns_number 9602 _diffrn_reflns_point_group_measured_fraction_full 0.987 _diffrn_reflns_point_group_measured_fraction_max 0.985 _diffrn_reflns_theta_full 24.415 _diffrn_reflns_theta_max 26.572 _diffrn_reflns_theta_min 2.947 _diffrn_source Synchrotron _diffrn_source_type 'Undulator, I19, DLS, RAL' _exptl_absorpt_coefficient_mu 0.333 _exptl_absorpt_correction_T_max 1.0 _exptl_absorpt_correction_T_min 0.989088483908 _exptl_absorpt_correction_type empirical _exptl_absorpt_process_details ; CCP4 7.0.044: AIMLESS, version 0.5.32 : 29/03/17 Scaling & analysis of unmerged intensities, absorption correction using spherical harmonics ; _exptl_crystal_colour red _exptl_crystal_colour_primary red _exptl_crystal_density_diffrn 1.619 _exptl_crystal_description needle _exptl_crystal_F_000 396 _exptl_crystal_size_max 0.037 _exptl_crystal_size_mid 0.01 _exptl_crystal_size_min 0.005 _refine_diff_density_max 0.982 _refine_diff_density_min -0.624 _refine_diff_density_rms 0.085 _refine_ls_extinction_coef . _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.034 _refine_ls_hydrogen_treatment mixed _refine_ls_matrix_type full _refine_ls_number_parameters 114 _refine_ls_number_reflns 1776 _refine_ls_number_restraints 1 _refine_ls_restrained_S_all 1.034 _refine_ls_R_factor_all 0.0550 _refine_ls_R_factor_gt 0.0496 _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^)+(0.0710P)^2^+1.1610P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.1308 _refine_ls_wR_factor_ref 0.1353 _reflns_Friedel_coverage 0.000 _reflns_Friedel_fraction_full . _reflns_Friedel_fraction_max . _reflns_number_gt 1578 _reflns_number_total 1776 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file 41557_2018_141_MOESM17_ESM.cif _cod_data_source_block Fused_Sulfone_Diamine_100K _cod_database_code 1551363 _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. ; _olex2_refinement_description ; 1. Fixed Uiso At 1.2 times of: All C(H) groups 2. Restrained distances C6-N1 \\sim N1-C8 with sigma of 0.01 3.a Aromatic/amide H refined with riding coordinates: C2(H2), C6(H6), C8(H8), C9(H9) 3.b Fitted hexagon refined as free rotating group: C5(C6,C7,C8,C9,C4) ; _shelx_res_file ; xw_fused_sulfone_diamine_100k.res created by SHELXL-2014/7 TITL shelxt_a.res in P2(1)/c REM Old TITL shelxt in P21/c #14 REM SHELXT solution in P2(1)/c REM R1 0.082, Rweak 0.003, Alpha 0.023, Orientation as input REM Formula found by SHELXT: C9 N O2 Cl CELL 0.6889 5.8666 10.0313 13.5015 90 97.082 90 ZERR 2 0.0002 0.0003 0.0004 0 0.003 0 LATT 1 SYMM -X,0.5+Y,0.5-Z SFAC C H N O S DISP C 0.003 0.001 10.64 DISP H -0 0 0.67 DISP N 0.006 0.003 18.02 DISP O 0.01 0.006 29.59 DISP S 0.119 0.117 478.92 UNIT 36 24 4 8 4 EQIV $1 1+X,+Y,+Z EQIV $2 1-X,-Y,1-Z EQIV $3 1+X,0.5-Y,0.5+Z SADI 0.01 C6 N1 N1 C8 L.S. 50 PLAN 20 TEMP -173.15 HTAB N1 O1_$1 HTAB N1 O1_$2 HTAB N1 O2_$3 BOND $H LIST 6 fmap 2 acta SHEL 999 0.77 OMIT -1 0 4 REM REM REM WGHT 0.071000 1.161000 FVAR 0.78211 S1 5 0.237761 0.240915 0.439629 11.00000 0.02362 0.01732 = 0.01859 -0.00231 -0.00022 0.00190 O1 4 0.104375 0.121822 0.450219 11.00000 0.02893 0.01948 = 0.02766 -0.00351 -0.00006 -0.00058 O2 4 0.329118 0.257286 0.345731 11.00000 0.03126 0.02658 = 0.02049 -0.00123 0.00348 0.00453 N1 3 0.993090 0.139012 0.672024 11.00000 0.02793 0.02588 = 0.02535 -0.00497 -0.00373 0.00584 C1 1 -0.086218 0.614146 0.531629 11.00000 0.02522 0.01571 = 0.02038 -0.00102 0.00422 0.00136 C2 1 0.117631 0.569697 0.583585 11.00000 0.02541 0.01945 = 0.01916 -0.00178 0.00123 -0.00148 AFIX 43 H2 2 0.193290 0.617967 0.638632 11.00000 -1.20000 AFIX 0 C3 1 0.206723 0.450760 0.551344 11.00000 0.02281 0.01773 = 0.01938 -0.00021 0.00214 -0.00092 AFIX 66 C5 1 0.450248 0.262964 0.538694 11.00000 0.02207 0.02054 = 0.01889 0.00081 0.00116 -0.00125 C6 1 0.642196 0.183448 0.565044 11.00000 0.02541 0.01764 = 0.02369 -0.00160 0.00183 0.00257 AFIX 43 H6 2 0.664299 0.104932 0.528057 11.00000 -1.20000 AFIX 65 C7 1 0.801804 0.218812 0.645510 11.00000 0.02419 0.02035 = 0.02153 0.00291 0.00207 -0.00071 C8 1 0.769466 0.333693 0.699628 11.00000 0.02772 0.02279 = 0.01997 -0.00036 -0.00148 -0.00235 AFIX 43 H8 2 0.878552 0.357862 0.754624 11.00000 -1.20000 AFIX 65 C9 1 0.577519 0.413210 0.673280 11.00000 0.02845 0.01793 = 0.02184 -0.00247 0.00069 -0.00160 AFIX 43 H9 2 0.555418 0.491725 0.710268 11.00000 -1.20000 AFIX 65 C4 1 0.417908 0.377847 0.592813 11.00000 0.02299 0.01840 = 0.02045 0.00100 0.00314 0.00027 AFIX 0 H1A 2 1.112442 0.170924 0.707362 11.00000 0.04424 H1B 2 1.021001 0.073216 0.630721 11.00000 0.05630 HKLF 4 REM shelxt_a.res in P2(1)/c REM R1 = 0.0496 for 1578 Fo > 4sig(Fo) and 0.0550 for all 1776 data REM 114 parameters refined using 1 restraints END WGHT 0.0713 1.1135 REM Highest difference peak 0.982, deepest hole -0.624, 1-sigma level 0.085 Q1 1 0.5066 0.2538 0.5528 11.00000 0.05 0.98 Q2 1 0.6419 0.1556 0.5507 11.00000 0.05 0.74 Q3 1 0.3590 0.4053 0.5847 11.00000 0.05 0.72 Q4 1 0.3503 0.2464 0.4883 11.00000 0.05 0.71 Q5 1 0.8534 0.1964 0.6448 11.00000 0.05 0.61 Q6 1 0.7056 0.3543 0.6843 11.00000 0.05 0.55 Q7 1 -0.1312 0.6980 0.5443 11.00000 0.05 0.39 Q8 1 0.4867 0.4031 0.6388 11.00000 0.05 0.38 Q9 1 0.1528 0.4224 0.5183 11.00000 0.05 0.35 Q10 1 0.7627 0.2155 0.5970 11.00000 0.05 0.33 Q11 1 0.1061 0.1995 0.4248 11.00000 0.05 0.32 Q12 1 0.1509 0.5015 0.5744 11.00000 0.05 0.32 Q13 1 0.0265 0.5822 0.5578 11.00000 0.05 0.31 Q14 1 0.3159 0.2439 0.3940 11.00000 0.05 0.31 Q15 1 0.7341 0.2754 0.6796 11.00000 0.05 0.26 Q16 1 0.0001 0.1216 0.4129 11.00000 0.05 0.22 Q17 1 0.4858 0.2555 0.3778 11.00000 0.05 0.21 Q18 1 0.8154 0.3054 0.6568 11.00000 0.05 0.21 Q19 1 0.4593 0.1474 0.5439 11.00000 0.05 0.21 Q20 1 0.5927 -0.0182 0.5306 11.00000 0.05 0.20 ; _shelx_res_checksum 80956 _shelx_hkl_file ; 9 0 -3 -2.47 2.15 9 0 -4 35.25 3.28 9 0 -5 -2.01 2.27 9 0 -6 21.45 2.94 9 0 -7 -9.66 2.63 9 0 -8 11.81 2.85 -9 0 9 0.14 2.26 9 0 -9 -2.70 2.77 -9 0 10 0.96 2.23 9 0 -10 -2.25 2.93 -9 0 11 -1.48 2.09 9 0 -11 1.78 2.88 9 -1 -1 1.46 2.38 9 -1 -2 9.49 2.45 9 -1 -3 -1.34 2.23 9 1 -3 0.17 2.11 9 -1 -4 11.77 2.43 9 1 -4 14.42 2.54 9 1 -5 0.74 2.36 9 1 -6 -1.02 2.46 9 1 -7 -5.22 2.61 9 -1 -8 0.88 2.62 9 -1 -9 1.41 2.70 9 1 -9 2.63 2.87 -9 1 10 37.21 3.35 9 -1 -10 29.27 3.87 9 1 -10 32.62 3.74 9 -1 -11 0.47 2.99 9 1 -11 2.29 3.01 -9 -1 11 -1.43 2.09 9 -2 -1 5.12 2.52 9 -2 -2 2.64 2.45 9 -2 -4 11.86 2.53 9 2 -4 12.19 2.49 9 -2 -5 0.80 2.31 9 2 -7 1.04 2.65 9 2 -8 0.21 2.78 -9 -2 8 0.28 2.27 9 2 -9 5.17 2.91 -9 -2 9 3.40 2.31 9 2 -10 2.68 2.85 -9 -2 10 -6.36 2.12 -9 -2 11 -4.73 2.12 9 -3 -2 81.03 6.08 9 -3 -3 -4.42 2.72 9 -3 -4 2.53 2.65 9 -3 -5 20.00 3.01 9 3 -5 23.34 2.90 9 3 -6 16.63 2.96 9 3 -7 11.12 2.96 9 3 -8 4.13 2.84 9 3 -9 9.09 2.91 -9 -3 10 42.01 3.57 -9 -3 11 0.51 2.08 9 -4 -1 0.00 2.75 9 -4 -2 4.73 2.85 9 -4 -3 4.84 2.77 9 -4 -4 21.97 3.16 9 -4 -5 9.06 2.60 9 4 -6 55.55 4.72 9 4 -7 -0.46 2.84 9 4 -8 13.30 2.91 9 -5 -1 2.76 2.79 -9 -5 1 1.62 2.32 9 -5 -2 40.82 3.99 9 -5 -3 3.90 2.78 9 -5 -5 16.65 2.90 9 -5 -6 1.17 2.49 -9 -6 1 1.15 2.21 -9 -6 2 20.67 2.75 8 0 -1 0.68 2.10 8 0 -2 115.65 7.96 8 0 -3 0.74 2.04 8 0 -4 43.76 3.75 -8 0 6 13.19 2.42 8 0 -6 15.80 2.68 -8 0 7 0.07 2.21 8 0 -7 2.49 2.61 -8 0 8 64.46 4.84 8 0 -8 67.24 5.17 8 0 -9 0.56 2.79 -8 0 10 2.85 2.20 8 0 -10 2.16 2.96 -8 0 11 -4.46 2.21 8 0 -11 -5.27 3.02 -8 0 12 10.32 2.36 8 0 -12 8.94 3.07 -8 0 13 0.29 2.40 8 0 -13 0.91 3.07 -8 0 14 5.94 2.36 8 0 -14 6.94 2.99 8 -1 -1 13.65 2.44 8 1 -1 11.54 2.33 8 -1 -2 1.33 2.06 8 1 -2 0.43 2.02 8 -1 -3 6.41 2.25 8 -1 -4 42.72 3.85 8 1 -4 48.14 3.86 8 -1 -5 15.12 2.49 8 1 -5 13.99 2.59 8 -1 -6 8.04 2.44 8 1 -6 8.81 2.60 -8 -1 6 6.25 2.31 -8 1 7 3.12 2.19 8 1 -7 1.12 2.52 -8 -1 7 1.67 2.03 -8 1 8 34.96 3.18 8 -1 -8 26.85 3.45 8 1 -8 27.28 3.67 -8 -1 8 36.85 3.09 -8 1 9 9.67 2.22 8 -1 -9 11.11 3.14 8 1 -9 6.44 2.88 -8 -1 9 11.36 2.33 -8 1 10 31.43 3.07 8 -1 -10 34.86 3.79 8 1 -10 34.39 3.73 -8 -1 10 31.60 3.19 -8 1 11 22.96 2.68 8 -1 -11 20.52 3.38 -8 -1 11 18.78 2.66 -8 1 12 5.95 2.19 8 -1 -12 6.87 3.18 -8 1 13 15.76 2.52 8 -1 -13 20.98 3.30 8 1 -13 15.31 3.20 -8 1 14 3.48 2.19 8 -1 -14 2.63 2.88 8 1 -14 3.90 3.06 -8 -1 14 1.61 2.35 8 -2 -1 4.00 2.39 8 -2 -2 105.37 7.35 8 -2 -3 0.74 2.19 8 -2 -4 27.84 3.00 8 -2 -5 8.40 2.28 8 -2 -6 4.55 2.29 8 2 -6 1.18 2.38 8 -2 -7 5.48 2.54 8 2 -7 11.42 2.76 -8 -2 7 12.08 2.21 -8 2 8 41.36 3.70 8 -2 -8 39.03 3.93 -8 -2 8 48.13 3.63 -8 2 9 0.84 2.16 8 -2 -9 1.10 2.73 -8 -2 9 2.64 2.23 -8 2 10 41.42 3.59 8 2 -10 44.23 4.15 -8 -2 10 45.87 3.75 -8 2 11 1.16 2.36 8 2 -11 2.02 2.74 -8 -2 11 0.74 2.39 -8 2 12 47.89 3.90 8 -2 -12 39.46 4.40 8 2 -12 54.29 4.42 -8 -2 12 48.08 4.05 -8 2 13 10.94 2.37 8 -2 -13 14.96 3.18 8 2 -13 13.99 3.06 -8 -2 13 11.81 2.61 8 -2 -14 2.94 3.00 -8 -2 14 3.27 2.31 8 -3 -1 5.25 2.67 -8 -3 1 0.26 2.18 8 -3 -2 1.89 2.60 -8 -3 2 -1.49 2.15 -8 -3 6 70.48 5.20 8 -3 -7 4.69 2.53 8 3 -7 1.17 2.64 -8 -3 7 5.00 2.09 8 -3 -8 17.74 2.95 8 3 -8 20.34 3.04 -8 -3 8 19.94 2.63 -8 3 9 -3.33 2.16 8 -3 -9 0.20 2.67 8 3 -9 0.65 2.80 -8 3 10 1.58 2.10 8 -3 -10 -4.28 2.93 8 3 -10 0.32 2.70 -8 -3 10 -6.99 2.44 8 -3 -11 8.04 3.02 8 3 -11 4.53 2.76 -8 -3 11 4.43 2.42 -8 3 12 26.63 3.08 8 -3 -12 30.76 3.69 8 3 -12 24.33 3.47 -8 -3 12 33.64 3.21 -8 3 13 2.05 2.26 8 -3 -13 2.96 2.96 8 3 -13 5.10 2.76 -8 -3 13 4.01 2.35 8 -3 -14 59.24 4.67 -8 -3 14 48.81 4.26 8 -4 -2 22.81 3.22 -8 -4 2 26.79 2.86 8 -4 -3 1.07 2.50 8 -4 -4 -4.66 2.51 -8 -4 7 4.95 2.09 8 4 -8 5.96 2.83 -8 -4 8 9.14 2.31 8 4 -9 3.60 2.69 -8 -4 9 -3.85 2.26 -8 4 10 14.77 2.44 8 -4 -10 17.91 3.27 8 4 -10 11.41 2.88 -8 -4 10 14.51 2.66 -8 4 11 2.88 2.22 8 -4 -11 0.11 2.99 8 4 -11 4.25 2.63 -8 -4 11 2.85 2.42 -8 4 12 18.48 2.78 8 -4 -12 24.26 3.38 8 4 -12 21.93 3.17 -8 -4 12 23.69 2.87 8 -4 -13 0.12 2.87 8 -4 -14 0.65 2.83 8 -5 -1 -2.84 2.80 -8 -5 1 -2.15 2.29 8 -5 -2 25.34 3.20 -8 -5 2 23.50 2.81 8 -5 -3 57.95 4.68 -8 -5 3 56.80 4.54 8 -5 -4 40.45 3.77 8 -5 -5 0.51 2.36 8 5 -8 46.17 3.98 8 5 -9 0.05 2.37 8 5 -10 -0.43 2.51 -8 -5 10 2.62 2.43 -8 5 11 1.95 2.14 -8 -5 11 2.53 2.46 -8 -5 13 -2.47 2.33 8 -6 -1 22.13 3.35 -8 -6 1 31.33 3.05 8 -6 -2 31.02 3.53 -8 -6 2 33.11 3.23 8 -6 -3 1.71 2.40 -8 -6 3 2.27 2.19 8 -6 -4 5.97 2.44 -8 -6 4 8.83 2.33 8 -6 -5 20.21 2.86 8 6 -10 0.68 2.51 8 -7 -1 7.85 2.78 -8 -7 1 8.19 2.35 8 -7 -2 2.11 2.60 -8 -7 2 2.87 2.28 -8 -7 3 30.82 3.17 8 -7 -4 10.23 2.66 8 -7 -5 11.36 2.55 8 -7 -6 18.89 2.82 8 -7 -7 1.24 2.35 8 7 -9 6.73 2.48 -8 -8 1 -1.38 2.27 8 -8 -2 29.81 3.36 8 -8 -3 -2.03 2.51 -8 -8 3 0.37 2.21 8 -8 -4 33.02 3.57 -8 -8 4 38.56 3.48 8 -8 -5 12.87 2.62 8 -8 -6 5.24 2.39 8 -8 -7 15.04 2.79 7 0 -1 1.33 1.83 7 0 -4 97.51 6.77 7 0 -5 2.08 2.26 -7 0 6 415.51 26.84 7 0 -6 427.71 26.96 -7 0 7 0.37 2.10 7 0 -7 -2.93 2.42 -7 0 8 97.25 6.68 -7 0 9 2.05 2.24 7 0 -9 2.33 2.69 -7 0 10 95.28 6.44 7 0 -10 87.14 6.70 -7 0 11 -0.78 2.19 7 0 -11 0.00 2.78 -7 0 12 13.14 2.45 7 0 -12 12.99 3.06 -7 0 13 1.78 2.34 7 0 -13 3.25 2.86 7 0 -14 299.87 19.39 7 0 -15 -1.61 2.76 -7 0 16 83.28 5.99 7 0 -16 84.39 6.31 7 -1 -1 0.06 1.94 -7 -1 1 0.32 2.07 7 -1 -3 36.52 3.21 7 -1 -4 18.17 2.43 -7 -1 4 19.07 2.51 -7 1 5 40.36 3.35 7 -1 -5 33.94 3.34 -7 -1 5 38.93 3.33 -7 1 6 10.08 2.02 7 -1 -6 6.12 2.31 -7 1 7 2.24 1.96 7 -1 -7 3.10 2.48 7 1 -7 2.62 2.49 -7 1 8 6.06 2.18 7 -1 -8 7.26 2.55 7 1 -8 9.80 2.71 -7 -1 8 3.70 2.30 -7 1 9 16.33 2.46 7 -1 -9 10.68 2.96 7 1 -9 16.72 2.96 -7 -1 9 12.12 2.50 -7 1 10 52.60 4.65 7 -1 -10 67.91 5.20 7 1 -10 61.00 4.99 -7 -1 10 69.54 4.73 7 1 -11 32.89 3.66 -7 -1 11 34.79 3.25 7 -1 -12 0.43 2.99 7 1 -12 0.12 2.82 -7 -1 12 1.76 2.20 -7 1 13 11.16 2.35 7 -1 -13 6.18 3.10 7 1 -13 11.59 2.93 -7 -1 13 8.25 2.33 -7 1 14 14.82 2.51 7 -1 -14 12.08 3.02 7 1 -14 16.07 3.07 -7 -1 14 15.12 2.49 -7 1 15 0.26 2.21 7 -1 -15 1.17 2.79 7 1 -15 0.28 2.76 -7 -1 15 0.91 2.19 -7 1 16 2.18 2.25 7 -1 -16 2.83 2.92 7 1 -16 2.59 2.82 -7 -1 16 1.70 2.19 7 -2 -1 17.01 2.42 7 2 -1 13.69 2.23 7 -2 -2 12.70 2.26 7 -2 -3 16.45 2.40 7 -2 -4 240.09 15.76 -7 -2 4 248.21 15.88 -7 -2 5 -3.24 2.11 -7 2 6 137.30 9.26 7 -2 -6 134.18 9.24 -7 -2 6 141.66 9.18 -7 2 7 4.83 2.27 7 2 -7 8.01 2.62 -7 -2 7 5.71 2.17 -7 2 8 1.77 2.20 7 -2 -8 -5.23 2.58 7 2 -8 3.09 2.76 -7 -2 8 3.17 2.29 7 -2 -9 35.76 3.86 7 2 -9 43.00 3.90 -7 2 10 1.49 2.05 7 -2 -10 1.90 2.96 7 2 -10 1.12 2.65 -7 2 11 5.68 2.18 7 -2 -11 2.89 2.89 7 2 -11 3.00 2.57 -7 -2 11 5.47 2.26 -7 2 12 26.90 2.82 7 -2 -12 26.11 3.48 7 2 -12 23.29 3.27 -7 -2 12 21.98 2.90 -7 2 13 6.74 2.22 7 -2 -13 1.74 2.92 7 2 -13 3.50 2.72 -7 -2 13 5.85 2.33 -7 2 14 106.46 7.19 -7 -2 14 102.88 7.23 -7 2 15 1.09 2.25 7 2 -15 -3.36 2.77 -7 -2 15 -1.20 2.26 -7 2 16 16.52 2.66 7 -2 -16 20.99 3.22 7 2 -16 13.27 3.00 -7 -2 16 15.39 2.65 7 -3 -1 24.43 2.94 7 3 -1 19.65 2.61 -7 -3 1 27.25 2.85 7 -3 -2 12.35 2.33 7 -3 -2 10.06 2.48 -7 -3 2 15.05 2.47 7 -3 -3 1.07 2.11 -7 -3 3 3.23 2.06 7 -3 -4 39.41 3.45 7 -3 -5 69.48 5.23 -7 -3 5 73.06 5.16 7 -3 -6 10.48 2.42 -7 -3 6 9.04 2.31 -7 3 7 5.47 2.08 -7 3 8 45.37 3.85 7 -3 -8 45.80 4.12 7 3 -8 47.97 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6 6 -11 2.10 2.47 -6 -6 11 0.23 2.22 -6 6 12 1.01 2.27 6 -6 -12 3.53 2.90 6 6 -12 2.08 2.54 -6 -6 12 4.99 2.32 -6 6 13 3.03 2.16 6 -6 -13 2.01 2.90 6 6 -13 4.82 2.55 -6 -6 13 4.51 2.30 -6 6 14 -4.51 2.22 6 -6 -14 -7.56 2.91 6 6 -14 1.27 2.76 -6 -6 14 0.10 2.27 6 -6 -15 1.29 2.81 6 6 -15 0.77 2.68 -6 -6 15 0.78 2.30 -6 6 16 29.33 3.10 6 -6 -16 32.95 3.68 6 6 -16 27.83 3.40 -6 -6 16 30.96 3.14 6 -6 -17 0.89 2.85 -6 -6 17 3.53 2.30 6 -7 -1 31.87 3.29 -6 -7 1 32.94 3.08 6 -7 -2 15.22 2.54 -6 -7 2 19.51 2.52 6 -7 -3 1.98 2.22 -6 -7 3 1.59 2.19 6 -7 -4 106.96 7.41 -6 -7 4 101.07 7.13 -6 -7 6 187.79 12.77 -6 -7 6 191.73 12.28 -6 -7 7 1.78 2.02 6 -7 -8 16.09 3.15 -6 -7 8 27.98 2.69 -6 7 9 0.86 1.94 -6 -7 9 1.82 2.15 -6 7 10 4.88 2.07 6 -7 -10 4.38 2.75 6 7 -10 2.00 2.30 -6 -7 10 3.19 2.24 -6 7 11 0.43 2.11 6 -7 -11 1.58 2.76 6 7 -11 0.70 2.40 -6 7 12 39.22 3.63 6 -7 -12 42.63 4.01 6 7 -12 43.30 3.96 -6 -7 12 40.44 3.63 6 -7 -13 32.38 3.64 6 7 -13 28.65 3.38 -6 -7 13 30.70 3.16 -6 7 14 134.19 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799.50 52.13 -2 -3 5 866.26 52.20 -2 3 6 3881.58 240.95 -2 3 6 3575.97 240.80 2 -3 -6 3788.23 242.17 2 -3 -6 3974.58 241.07 2 -3 -6 4031.49 241.18 2 3 -6 3943.89 242.18 2 3 -6 4092.14 242.44 -2 -3 6 3723.78 240.98 -2 -3 6 3654.07 240.94 -2 -3 6 4071.29 241.02 -2 3 7 4.32 1.39 2 -3 -7 2.32 1.18 2 -3 -7 4.44 1.16 2 -3 -7 4.12 1.84 2 3 -7 2.98 1.22 2 3 -7 3.11 1.29 2 3 -7 2.74 1.68 -2 -3 7 2.23 1.07 -2 -3 7 4.42 1.19 -2 -3 7 5.87 1.46 -2 3 8 96.83 6.25 -2 3 8 104.35 6.36 2 -3 -8 95.61 6.25 2 -3 -8 93.00 6.26 2 -3 -8 93.61 6.50 2 3 -8 92.90 6.28 2 3 -8 98.98 6.32 2 3 -8 99.29 6.53 -2 -3 8 90.19 6.25 -2 -3 8 94.02 6.25 -2 -3 8 102.26 6.37 -2 3 9 13.20 1.63 2 -3 -9 14.07 1.57 2 -3 -9 14.71 1.69 2 -3 -9 11.02 2.19 2 3 -9 11.76 2.20 -2 -3 9 14.07 1.64 -2 -3 9 13.09 1.58 -2 -3 9 15.01 1.84 -2 3 10 480.20 31.46 -2 3 10 503.44 31.52 2 -3 -10 512.75 31.48 2 -3 -10 522.63 31.49 2 -3 -10 540.05 31.66 2 3 -10 496.32 31.52 2 3 -10 510.06 31.54 2 3 -10 521.72 31.70 -2 -3 10 473.01 31.45 -2 -3 10 462.34 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2.33 2 -3 -21 5.84 2.67 2 3 -21 3.80 2.88 -2 -3 21 3.55 2.15 -2 3 22 17.41 2.65 2 3 -22 22.10 3.45 -2 4 1 6.27 1.15 2 -4 -1 3.49 1.00 2 -4 -1 3.59 1.15 2 4 -1 2.32 1.32 -2 -4 1 3.48 1.07 -2 -4 1 4.32 1.47 -2 -4 1 4.21 0.84 -2 4 2 5.36 1.10 2 -4 -2 2.64 1.05 2 -4 -2 3.93 1.25 2 4 -2 3.33 1.42 -2 -4 2 3.98 1.16 -2 -4 2 4.22 1.36 -2 -4 2 4.85 1.03 -2 4 3 159.44 9.94 -2 4 3 160.92 10.05 2 -4 -3 158.74 9.92 -2 -4 3 149.53 9.96 -2 -4 3 159.36 10.00 -2 -4 3 149.17 9.96 -2 -4 3 154.41 10.00 -2 4 4 470.84 30.13 -2 4 4 487.75 30.25 2 -4 -4 477.45 30.11 2 -4 -4 481.21 30.21 -2 -4 4 476.52 30.16 -2 -4 4 476.14 30.16 -2 -4 4 483.23 30.23 -2 -4 4 482.81 30.39 -2 -4 4 483.14 30.12 -2 4 5 186.96 11.63 -2 4 5 185.94 11.68 2 -4 -5 188.45 11.61 2 -4 -5 184.88 11.71 -2 -4 5 177.35 11.62 -2 -4 5 176.41 11.62 -2 -4 5 174.18 11.71 -2 -4 5 191.48 11.99 -2 4 6 86.88 5.30 2 -4 -6 77.43 5.24 2 -4 -6 77.76 5.16 2 -4 -6 78.43 5.35 -2 -4 6 73.33 5.17 -2 -4 6 75.37 5.19 -2 -4 6 85.96 5.26 -2 4 7 65.31 4.29 2 -4 -7 62.95 4.31 2 -4 -7 64.10 4.31 2 4 -7 63.25 4.38 2 4 -7 62.87 4.38 -2 -4 7 65.34 4.40 -2 4 8 724.37 43.21 -2 4 8 652.55 43.17 2 4 -8 703.03 43.70 -2 -4 8 670.91 43.18 -2 -4 8 665.70 43.17 -2 -4 8 719.78 43.20 -2 4 9 0.54 1.44 -2 4 9 -3.56 1.68 2 -4 -9 0.33 1.41 2 -4 -9 2.03 1.42 2 -4 -9 0.12 1.96 2 4 -9 1.62 1.61 2 4 -9 -2.98 1.69 2 4 -9 -2.61 2.06 -2 -4 9 -1.06 1.33 -2 -4 9 0.29 1.41 -2 -4 9 1.89 1.70 -2 4 10 494.33 31.00 -2 4 10 492.87 31.04 2 -4 -10 512.80 31.01 2 -4 -10 497.14 31.00 2 -4 -10 532.60 31.20 2 4 -10 486.95 31.12 2 4 -10 465.03 31.11 2 4 -10 524.62 31.26 -2 -4 10 464.06 30.97 -2 -4 10 450.11 30.95 -2 -4 10 523.79 31.05 -2 4 11 28.48 2.46 -2 4 11 27.08 2.57 2 -4 -11 27.98 2.34 2 -4 -11 24.97 2.55 2 -4 -11 27.64 2.97 2 4 -11 24.16 2.49 2 4 -11 25.45 2.60 -2 -4 11 24.40 2.42 -2 -4 11 24.64 2.36 -2 -4 11 23.81 2.56 -2 4 12 15.14 2.00 -2 4 12 13.64 2.16 2 -4 -12 18.28 1.95 2 -4 -12 18.70 2.19 2 -4 -12 9.31 2.54 2 4 -12 14.47 2.13 2 4 -12 14.93 2.26 2 4 -12 15.32 2.81 -2 -4 12 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6863.67 452.52 0 -2 0 7407.40 447.12 0 -2 0 7127.61 446.79 0 -2 0 7035.01 447.81 0 2 1 60.38 3.81 0 2 1 54.62 3.80 0 -2 -1 59.49 3.80 0 -2 -1 57.49 3.82 0 -2 -1 53.64 3.74 0 2 -1 63.05 3.89 0 2 -1 54.63 3.74 0 2 -1 57.42 3.84 0 -2 1 61.70 3.87 0 -2 1 61.26 3.77 0 -2 1 58.70 3.84 0 2 2 286.79 18.04 0 2 2 267.88 18.00 0 -2 -2 288.30 18.04 0 -2 -2 279.71 18.06 0 -2 -2 272.25 17.98 0 2 -2 321.16 18.68 0 2 -2 307.39 18.58 0 2 -2 297.05 18.04 0 -2 2 307.75 18.14 0 -2 2 301.88 18.15 0 -2 2 293.27 18.28 0 -2 2 285.18 18.07 0 2 3 0.84 1.14 0 2 3 0.53 0.91 0 -2 -3 1.79 1.21 0 -2 -3 1.24 1.39 0 -2 -3 0.87 0.80 0 2 -3 1.60 1.15 0 2 -3 0.38 1.29 0 2 -3 2.33 1.05 0 -2 3 1.04 1.21 0 -2 3 2.05 1.20 0 -2 -4 169.15 11.12 0 -2 -4 171.60 11.02 0 2 -4 177.81 11.05 0 2 -4 177.70 11.06 0 2 -4 171.00 11.06 0 2 5 422.19 26.78 0 2 5 406.03 26.71 0 -2 -5 407.73 26.80 0 2 -5 445.53 26.84 0 2 -5 448.28 26.84 0 2 -5 429.66 26.83 0 -2 5 431.44 26.81 0 -2 5 427.41 26.80 0 -2 5 427.43 26.81 0 2 6 14.08 1.66 0 -2 -6 14.60 1.52 0 -2 -6 13.96 1.58 0 2 -6 14.57 1.66 0 2 -6 13.66 1.61 0 -2 6 14.30 1.47 0 -2 6 14.96 1.61 0 -2 6 12.85 1.72 0 2 7 9.92 1.59 0 2 7 9.81 1.39 0 -2 -7 9.60 1.42 0 -2 -7 11.54 1.59 0 -2 -7 9.55 1.91 0 2 -7 10.72 1.59 0 2 -7 10.17 1.61 0 -2 7 8.32 1.52 0 -2 7 10.18 1.50 0 -2 7 10.41 1.70 0 2 8 433.65 27.95 0 2 8 429.89 27.91 0 -2 -8 452.16 27.97 0 -2 -8 455.62 27.99 0 -2 -8 434.86 28.01 0 2 -8 452.70 28.00 0 2 -8 469.12 28.02 0 -2 8 422.12 27.97 0 -2 8 425.46 27.96 0 -2 8 471.98 28.00 0 2 9 76.69 5.33 0 -2 -9 80.83 5.40 0 -2 -9 86.25 5.47 0 -2 -9 82.77 5.55 0 2 -9 78.79 5.46 0 2 -9 81.45 5.45 0 2 -9 77.93 5.52 0 -2 9 79.79 5.42 0 2 10 846.75 53.21 0 2 10 853.59 51.81 0 2 10 807.84 51.75 0 -2 -10 856.48 51.87 0 2 -10 847.03 51.90 0 -2 10 771.39 51.75 0 -2 10 815.93 51.79 0 -2 10 829.01 51.82 0 2 11 7.96 1.90 0 2 11 7.07 1.77 0 -2 -11 9.39 1.73 0 -2 -11 9.13 1.82 0 -2 -11 6.80 2.19 0 2 -11 7.51 1.84 0 2 -11 8.41 1.86 0 2 -11 8.65 2.20 0 -2 11 6.16 1.72 0 -2 11 4.97 1.96 0 -2 11 7.99 1.86 0 2 12 23.90 2.60 0 2 12 27.57 2.45 0 -2 -12 27.30 2.50 0 -2 -12 26.19 2.55 0 -2 -12 25.20 2.86 0 2 -12 27.43 2.60 0 2 -12 25.13 2.59 0 2 -12 28.68 2.95 0 -2 12 20.81 2.42 0 -2 12 18.15 2.63 0 -2 12 21.31 2.51 0 2 13 27.92 2.97 0 2 13 29.77 2.80 0 -2 -13 35.77 3.00 0 -2 -13 32.68 2.95 0 -2 -13 27.55 3.08 0 2 -13 32.42 2.94 0 2 -13 30.19 2.91 0 2 -13 29.25 3.10 0 -2 13 29.62 2.82 0 2 14 167.62 10.59 0 -2 -14 169.48 10.58 0 -2 -14 176.18 10.58 0 -2 -14 171.48 10.64 0 2 -14 161.64 10.59 0 2 -14 153.95 10.55 0 2 -14 163.95 10.64 0 -2 14 149.13 10.48 0 -2 14 138.77 10.55 0 2 15 66.23 5.07 0 2 15 68.48 4.91 0 -2 -15 72.06 5.01 0 -2 -15 72.56 5.02 0 2 -15 69.57 5.02 0 2 -15 68.93 5.02 0 2 -15 61.23 5.13 0 -2 15 65.38 4.98 0 -2 15 66.68 5.04 0 2 16 57.09 4.41 0 -2 16 59.38 4.40 0 2 17 13.64 2.43 0 -2 -17 10.38 2.63 0 2 -17 12.18 2.94 0 -2 17 15.38 2.40 0 2 18 42.22 3.77 0 -2 -18 41.62 4.06 0 2 -18 49.90 4.15 0 -2 18 47.24 3.78 0 2 19 4.68 2.32 0 -2 -19 12.74 2.70 0 2 -19 9.97 2.87 0 -2 19 7.06 2.32 0 -2 -20 36.67 3.66 0 2 -20 37.68 3.73 0 -2 20 33.94 3.36 0 2 21 9.74 2.37 0 -2 -21 8.42 2.85 0 2 22 27.36 3.03 0 2 -22 30.27 3.50 0 3 0 0.95 1.30 0 -3 0 0.16 1.29 0 -3 0 -1.19 1.01 0 -3 0 -0.09 1.12 0 3 1 936.05 58.31 0 -3 -1 907.91 58.31 0 -3 -1 868.95 58.23 0 -3 -1 838.03 59.74 0 -3 -1 855.84 58.53 0 3 -1 1040.95 58.60 0 -3 1 1034.24 58.39 0 -3 1 958.69 58.33 0 -3 1 926.97 58.29 0 -3 -2 1186.45 72.50 0 -3 -2 1106.43 72.52 0 -3 2 1279.31 72.85 0 -3 2 1113.13 72.46 0 3 3 19.70 1.77 0 3 3 19.26 1.59 0 -3 -3 21.94 1.76 0 -3 -3 18.19 1.87 0 -3 3 21.40 1.93 0 -3 3 20.34 1.62 0 -3 3 19.63 1.85 0 3 4 197.51 12.20 0 3 4 169.21 12.11 0 -3 -4 186.57 12.23 0 3 -4 204.45 12.31 0 3 -4 216.05 12.37 0 3 -4 193.17 12.38 0 -3 4 194.72 12.22 0 -3 4 196.64 12.24 0 -3 4 195.95 12.24 0 3 5 50.22 3.45 0 3 5 57.05 3.35 0 -3 -5 51.45 3.51 0 -3 -5 46.03 3.46 0 -3 -5 47.11 3.60 0 3 -5 46.65 3.50 0 3 -5 50.35 3.57 0 -3 5 49.54 3.48 0 -3 5 50.12 3.52 0 -3 5 46.86 3.59 0 3 6 8.16 1.30 0 -3 -6 7.48 1.44 0 -3 -6 8.30 1.42 0 -3 -6 7.53 1.72 0 3 -6 6.43 1.48 0 3 -6 6.94 1.69 0 -3 6 7.55 1.41 0 -3 6 7.57 1.48 0 3 7 76.50 4.86 0 -3 -7 66.55 5.04 0 3 -7 73.00 5.00 0 -3 7 76.45 5.01 0 3 8 8.92 1.63 0 3 8 9.61 1.40 0 -3 -8 9.18 1.56 0 -3 -8 7.74 1.77 0 3 -8 9.16 1.81 0 3 -8 8.26 1.75 0 3 -8 8.22 1.80 0 -3 8 8.78 1.54 0 -3 8 8.49 1.70 0 -3 8 6.95 1.69 0 3 9 481.70 29.16 0 3 9 448.72 29.06 0 -3 -9 485.49 29.14 0 -3 -9 460.71 29.13 0 3 -9 467.97 29.19 0 3 -9 463.98 29.19 0 3 -9 457.28 29.16 0 -3 9 460.00 29.13 0 -3 9 436.20 29.11 0 -3 9 460.82 29.13 0 3 10 603.68 37.20 0 3 10 569.98 37.10 0 -3 -10 602.63 37.17 0 -3 -10 616.93 37.19 0 -3 -10 602.94 37.23 0 3 -10 607.50 37.27 0 3 -10 594.01 37.24 0 3 -10 584.69 37.24 0 -3 10 562.81 37.17 0 -3 10 566.75 37.16 0 -3 10 590.39 37.17 0 3 11 87.85 5.55 0 3 11 78.54 5.44 0 -3 -11 83.54 5.48 0 -3 -11 81.85 5.56 0 -3 -11 78.98 5.65 0 3 -11 82.82 5.63 0 3 -11 79.26 5.57 0 3 -11 85.06 5.69 0 -3 11 74.94 5.52 0 -3 11 71.76 5.55 0 -3 11 77.98 5.52 0 3 12 181.20 11.68 0 -3 -12 195.31 11.69 0 -3 -12 191.49 11.68 0 -3 -12 192.55 11.76 0 3 -12 180.71 11.71 0 3 -12 170.24 11.69 0 3 -12 191.77 11.76 0 -3 12 159.57 11.62 0 -3 12 170.09 11.68 0 -3 12 174.18 11.63 0 3 13 37.85 3.24 0 3 13 38.10 3.11 0 -3 -13 39.53 3.45 0 3 -13 34.75 3.25 0 3 -13 34.08 3.30 0 3 -13 35.57 3.39 0 -3 13 34.33 3.12 0 -3 13 35.30 3.30 0 -3 13 37.15 3.21 0 3 14 31.96 3.07 0 3 14 31.62 2.96 0 -3 -14 33.89 2.99 0 -3 -14 32.85 3.03 0 -3 -14 31.42 3.27 0 3 -14 33.21 3.10 0 3 -14 31.35 3.07 0 3 -14 29.31 3.32 0 -3 14 31.05 3.04 0 -3 14 31.28 3.27 0 -3 14 29.39 2.97 0 3 15 14.49 2.38 0 -3 -15 17.16 2.36 0 -3 -15 16.10 2.37 0 -3 -15 15.53 2.65 0 3 -15 15.88 2.56 0 3 -15 11.54 2.40 0 3 -15 16.19 2.87 0 -3 15 15.16 2.31 0 3 16 44.24 3.72 0 -3 -16 46.03 3.98 0 3 -16 49.48 4.24 0 3 17 106.48 6.96 0 -3 -17 105.13 7.11 0 3 -17 106.65 7.29 0 -3 17 92.42 6.91 0 3 -18 40.52 4.07 0 -3 18 42.69 3.64 0 3 19 11.54 2.39 0 -3 -19 10.64 2.75 0 3 -19 15.84 2.92 0 -3 19 12.80 2.40 0 3 20 134.38 9.24 0 -3 -20 142.60 9.36 0 3 -20 131.87 9.47 0 -3 20 146.72 9.28 0 3 21 2.14 2.24 0 -3 -21 2.35 2.63 0 3 -21 -7.56 2.76 0 -3 21 1.26 2.24 0 3 -22 44.31 4.21 0 4 0 4.36 1.46 0 -4 0 3.47 1.39 0 -4 0 3.49 1.25 0 4 1 134.08 8.54 0 -4 -1 137.01 8.52 0 -4 -1 129.62 8.48 0 -4 -1 128.85 8.53 0 4 -1 135.03 8.57 0 -4 1 136.30 8.54 0 -4 1 129.16 8.47 0 -4 1 136.03 8.53 0 4 2 163.97 9.80 0 4 -2 157.99 10.01 0 -4 2 145.18 9.70 0 -4 2 151.47 9.79 0 4 3 31.78 2.23 0 4 3 27.91 1.97 0 -4 -3 24.77 2.14 0 -4 -3 29.15 2.26 0 -4 3 25.04 2.18 0 -4 3 26.10 2.29 0 -4 3 24.25 2.28 0 -4 3 24.39 2.02 0 -4 3 27.47 2.23 0 4 4 71.63 4.49 0 4 4 64.81 4.37 0 -4 -4 66.20 4.46 0 -4 -4 66.62 4.53 0 -4 4 65.79 4.53 0 -4 4 70.33 4.55 0 -4 4 67.82 4.58 0 -4 4 62.24 4.50 0 4 5 189.12 11.24 0 4 5 157.63 11.14 0 -4 -5 179.99 11.23 0 -4 -5 184.52 11.28 0 4 -5 176.30 11.52 0 4 -5 177.95 11.50 0 4 -5 184.31 11.36 0 -4 5 170.64 11.25 0 -4 5 167.97 11.25 0 -4 5 186.22 11.27 0 -4 -6 54.04 3.86 0 -4 -6 51.00 3.86 0 -4 -6 60.25 3.97 0 4 -6 55.57 3.83 0 -4 6 55.02 3.88 0 4 7 78.50 5.22 0 4 7 81.62 5.08 0 -4 -7 79.33 5.25 0 -4 -7 79.98 5.22 0 -4 -7 75.12 5.29 0 4 -7 73.86 5.26 0 4 -7 79.93 5.30 0 4 -7 76.79 5.20 0 -4 7 72.44 5.20 0 -4 7 69.58 5.24 0 -4 7 80.08 5.23 0 4 8 36.77 2.87 0 4 8 35.33 2.69 0 -4 -8 38.40 2.90 0 -4 -8 37.83 2.91 0 -4 -8 40.21 3.08 0 4 -8 34.62 2.97 0 4 -8 32.66 3.06 0 4 -8 36.38 2.97 0 4 9 63.52 4.27 0 -4 -9 63.79 4.39 0 4 -9 59.20 4.34 0 -4 9 49.25 4.15 0 -4 9 58.15 4.27 0 -4 9 66.44 4.31 0 4 10 623.47 38.26 0 4 10 605.96 38.18 0 -4 -10 634.19 38.27 0 -4 -10 586.90 38.24 0 -4 -10 620.14 38.33 0 4 -10 615.90 38.36 0 4 -10 614.42 38.37 0 4 -10 592.59 38.28 0 -4 10 573.69 38.24 0 -4 10 584.57 38.24 0 -4 10 635.32 38.30 0 4 11 98.87 6.44 0 4 11 98.66 6.30 0 -4 -11 94.96 6.36 0 -4 -11 96.65 6.44 0 4 -11 88.74 6.45 0 4 -11 95.53 6.54 0 4 -11 98.06 6.54 0 -4 11 90.71 6.47 0 -4 11 88.98 6.42 0 -4 11 92.70 6.42 0 4 12 25.48 2.49 0 -4 -12 26.38 2.69 0 -4 -12 26.56 2.80 0 -4 -12 24.39 2.96 0 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519.30 30.50 0 -5 -1 453.06 30.46 0 -5 -1 481.01 30.43 0 -5 -1 481.96 30.50 0 5 -1 513.61 30.61 0 -5 1 473.81 30.47 0 -5 1 483.03 30.44 0 5 2 1154.23 70.67 0 -5 -2 1128.13 70.60 0 -5 -2 1061.54 71.41 0 5 -2 1193.07 71.56 0 -5 2 1111.87 70.65 0 -5 2 1083.87 70.57 0 -5 2 1174.12 70.67 0 5 3 8.49 1.60 0 -5 -3 9.86 1.49 0 -5 -3 12.32 1.55 0 -5 3 11.59 1.58 0 -5 3 10.84 1.61 0 -5 3 10.91 1.60 0 -5 3 10.08 1.27 0 -5 3 10.83 1.56 0 5 4 4.13 1.49 0 5 4 1.53 1.00 0 -5 -4 3.68 1.45 0 -5 -4 4.47 1.43 0 -5 4 3.15 1.50 0 -5 4 2.12 1.05 0 -5 4 3.45 1.47 0 5 5 175.69 12.05 0 -5 -5 199.51 12.18 0 -5 5 199.10 12.18 0 -5 5 189.71 12.18 0 -5 5 190.71 12.28 0 -5 5 196.42 12.16 0 5 6 6.95 1.60 0 5 6 7.93 1.35 0 -5 -6 8.97 1.65 0 -5 -6 8.06 1.71 0 5 -6 8.70 1.49 0 -5 6 7.56 1.67 0 -5 6 5.77 1.56 0 -5 6 10.83 1.74 0 5 7 12.23 1.74 0 -5 -7 13.79 1.80 0 -5 -7 14.12 1.82 0 -5 -7 12.62 1.92 0 5 -7 12.17 1.86 0 5 -7 10.13 1.88 0 5 -7 10.47 1.76 0 -5 7 13.47 1.92 0 5 8 148.33 9.39 0 5 8 153.34 9.28 0 -5 -8 148.35 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70.54 4.96 0 -6 4 72.95 4.99 0 -6 4 69.34 4.80 0 -6 4 71.87 4.89 0 6 5 88.86 5.69 0 -6 -5 87.64 5.74 0 -6 5 78.41 5.81 0 -6 5 85.89 5.75 0 6 6 32.53 2.71 0 6 6 33.72 2.41 0 -6 -6 31.87 2.71 0 6 -6 30.38 2.49 0 -6 6 29.88 2.68 0 -6 6 31.40 2.71 0 -6 6 31.48 2.71 0 6 7 258.33 15.46 0 6 7 232.50 15.33 0 -6 -7 245.51 15.40 0 -6 -7 248.32 15.47 0 -6 7 233.47 15.44 0 -6 7 234.97 15.44 0 -6 7 235.41 15.57 0 -6 7 249.92 15.46 0 6 8 238.41 14.47 0 6 8 226.93 14.38 0 -6 -8 237.68 14.64 0 -6 -8 232.23 14.43 0 -6 -8 235.02 14.50 0 6 -8 213.18 14.45 0 -6 8 213.19 14.47 0 -6 8 208.32 14.46 0 -6 8 219.20 14.68 0 -6 8 234.37 14.48 0 6 9 23.74 2.31 0 6 9 21.96 2.16 0 -6 -9 21.85 2.27 0 -6 -9 20.21 2.25 0 -6 -9 19.67 2.45 0 6 -9 16.94 2.53 0 -6 9 18.60 2.34 0 -6 9 20.19 2.50 0 -6 9 19.40 2.32 0 -6 9 24.57 2.44 0 6 10 445.26 30.31 0 -6 -10 527.21 30.58 0 -6 -10 503.23 30.44 0 -6 -10 503.66 30.47 0 6 -10 465.67 31.13 0 6 -10 481.74 31.15 0 6 -10 487.91 30.47 0 -6 10 462.25 30.43 0 -6 10 452.37 30.43 0 -6 10 501.69 30.47 0 6 11 5.05 1.95 0 6 11 4.68 1.85 0 -6 -11 6.22 2.12 0 6 -11 6.60 2.05 0 6 -11 5.60 2.17 0 6 -11 6.91 2.38 0 -6 11 6.82 2.02 0 -6 11 6.72 2.13 0 -6 11 8.56 2.17 0 6 12 3.80 2.18 0 -6 -12 6.00 1.95 0 -6 -12 4.69 2.21 0 -6 -12 3.16 2.14 0 6 -12 5.30 2.20 0 6 -12 4.46 2.24 0 6 -12 3.62 2.46 0 -6 12 5.41 2.18 0 -6 12 2.93 2.27 0 -6 12 2.60 2.24 0 6 13 6.05 2.26 0 6 13 1.44 1.99 0 -6 -13 1.67 1.85 0 -6 -13 1.97 2.13 0 -6 -13 2.51 2.22 0 6 -13 3.85 2.03 0 6 -13 1.38 2.25 0 6 -13 1.87 2.49 0 -6 13 1.10 2.19 0 -6 13 3.25 2.18 0 6 14 4.86 2.11 0 -6 -14 8.28 2.24 0 6 -14 6.10 2.70 0 -6 14 4.28 2.22 0 6 15 65.99 4.90 0 6 -15 71.00 5.19 0 -6 15 65.17 4.92 0 6 16 0.98 2.22 0 6 -16 -0.13 2.65 0 -6 16 0.79 2.13 0 -6 -17 1.21 2.48 0 6 -17 3.19 2.77 0 -6 17 2.11 2.23 0 -6 -18 28.79 3.07 0 6 -18 19.49 3.40 0 -6 18 23.69 2.80 0 -6 -19 16.78 2.85 0 -6 19 17.82 2.55 0 -6 -20 0.35 2.41 0 -6 20 1.93 2.24 0 -7 0 0.89 1.52 0 -7 0 -0.95 1.36 0 -7 0 -2.45 1.57 0 7 1 35.78 2.83 0 -7 -1 29.61 2.66 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0.36 1.84 0 -8 6 1.03 1.95 0 -8 -7 47.08 3.16 0 -8 -7 31.50 3.18 0 8 -7 31.76 2.95 0 -8 7 37.58 3.20 0 -8 7 38.82 3.24 0 -8 7 34.03 3.27 0 8 8 127.53 8.56 0 -8 -8 130.27 8.54 0 -8 -8 129.05 8.57 0 8 -8 122.55 8.49 0 -8 8 134.90 8.59 0 8 9 22.21 2.62 0 8 9 22.19 2.12 0 -8 -9 25.94 2.54 0 -8 -9 22.89 2.55 0 8 -9 18.08 2.59 0 -8 9 17.12 2.57 0 -8 9 18.61 2.75 0 -8 9 19.93 2.78 0 -8 9 20.52 2.60 0 8 10 250.84 15.20 0 8 10 219.10 15.02 0 -8 -10 252.44 15.24 0 -8 -10 255.74 15.14 0 -8 10 213.80 15.13 0 -8 10 216.61 15.14 0 -8 10 233.88 15.31 0 -8 10 246.39 15.14 0 8 11 39.97 3.38 0 -8 -11 49.32 3.60 0 -8 -11 46.67 3.62 0 -8 -11 51.64 3.74 0 8 -11 39.78 3.77 0 -8 11 42.94 3.79 0 -8 11 37.38 3.78 0 -8 11 39.53 3.92 0 -8 11 45.94 3.72 0 8 12 10.72 2.02 0 -8 -12 10.97 2.44 0 -8 12 13.58 2.35 0 -8 -13 1.77 2.25 0 8 -13 1.83 2.43 0 -8 13 1.46 2.06 0 -8 -14 4.89 2.39 0 8 -14 5.97 2.55 0 -8 14 3.43 2.08 0 -8 -15 56.98 4.49 0 -8 15 53.80 4.31 0 -8 -16 0.47 2.39 0 -8 16 0.69 2.16 0 -8 -17 5.80 2.61 0 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0.19 2.19 4 -5 11 0.27 2.37 -4 -5 -12 236.53 15.06 4 -5 12 230.26 15.08 -4 -5 -13 4.81 2.36 4 -5 13 3.08 2.37 -4 -5 -14 139.16 9.25 4 -5 14 136.48 9.16 -4 -5 -15 14.89 2.77 -4 -5 -16 0.33 2.41 4 -5 16 -2.00 2.36 -4 -5 -17 12.54 2.80 4 -5 17 15.23 2.53 -4 -5 -18 35.81 3.62 4 -5 18 36.35 3.38 4 6 0 53.93 3.62 4 -6 0 48.90 3.62 4 -6 0 51.31 3.69 4 -6 0 43.07 3.26 4 -6 0 49.92 3.91 4 6 1 53.94 3.98 -4 -6 -1 55.63 4.04 4 -6 1 55.15 4.00 4 -6 1 54.19 4.03 4 -6 1 54.24 3.73 4 -6 1 58.01 4.24 4 6 2 229.74 14.36 -4 -6 -2 228.91 14.28 -4 -6 -2 216.62 14.39 4 -6 2 232.06 14.39 4 -6 2 229.04 14.40 4 -6 2 218.96 14.23 4 -6 2 215.17 14.49 4 6 3 158.85 10.07 -4 -6 -3 161.88 9.98 -4 -6 -3 141.53 10.07 4 -6 3 155.31 10.11 4 -6 3 158.01 10.10 4 -6 3 151.18 10.22 4 6 4 0.93 1.87 -4 -6 -4 1.54 1.29 -4 -6 -4 1.38 1.35 -4 -6 -4 -4.93 2.05 4 -6 4 1.54 1.94 4 -6 4 2.95 1.91 4 -6 4 3.25 2.35 4 6 5 12.25 2.39 -4 -6 -5 16.38 1.80 -4 -6 -5 18.12 1.78 -4 -6 -5 12.92 2.30 4 -6 5 16.60 2.57 -4 -6 -6 154.60 9.91 -4 -6 -6 160.30 9.91 -4 -6 -6 145.47 10.02 4 -6 6 147.06 10.10 -4 -6 -7 0.34 2.00 4 -6 7 0.31 2.30 4 -6 8 49.37 4.10 -4 -6 -9 6.39 2.07 -4 -6 -11 9.66 2.26 4 -6 11 7.25 2.37 -4 -6 -12 3.50 2.25 4 -6 12 6.53 2.31 -4 -6 -13 0.52 2.48 4 -6 13 3.93 2.36 -4 -6 -14 44.74 3.70 4 -6 14 37.30 3.49 -4 -6 -15 9.22 2.57 4 -6 15 16.36 2.41 -4 -6 -16 97.55 6.62 4 -6 16 88.65 6.51 4 -6 17 -2.34 2.32 4 7 0 18.33 2.36 -4 -7 0 18.32 1.81 -4 -7 0 14.36 2.28 4 -7 0 20.92 2.34 4 -7 0 22.11 2.41 4 -7 0 20.28 2.55 4 7 1 24.80 2.42 -4 -7 -1 16.17 1.89 -4 -7 -1 19.37 2.42 4 -7 1 19.10 2.33 4 -7 1 19.97 2.39 4 7 2 39.89 3.34 -4 -7 -2 37.41 2.97 4 -7 2 40.27 3.37 4 -7 2 40.45 3.42 -4 -7 -3 4.96 1.48 4 -7 3 2.44 2.28 -4 -7 -4 46.53 3.36 -4 -7 -4 41.78 3.59 4 -7 4 45.51 3.91 -4 -7 -5 39.79 3.37 4 -7 5 38.57 3.56 -4 -7 -7 123.29 8.26 4 -7 7 125.30 8.39 -4 -7 -8 42.05 3.58 4 -7 8 46.45 3.83 -4 -7 -9 60.47 4.53 -4 -7 -10 -2.77 2.06 4 -7 10 0.17 2.26 -4 -7 -11 1.34 2.04 4 -7 12 17.80 2.73 -4 -7 -13 85.51 5.98 4 -7 13 83.94 6.06 -4 -7 -14 19.13 2.78 4 -7 14 23.12 2.87 -4 -7 -15 39.56 3.58 4 -7 15 37.60 3.42 -4 -7 -16 2.34 2.47 4 -7 16 4.14 2.34 -4 -8 0 119.97 7.94 -4 -8 0 120.28 8.12 4 -8 0 125.65 8.26 -4 -8 -1 5.87 2.04 4 -8 1 6.49 2.46 -4 -8 -2 180.82 12.02 4 -8 2 191.21 12.16 -4 -8 -4 29.75 2.94 4 -8 5 29.94 3.28 -4 -8 -6 81.18 5.66 4 -8 6 77.68 5.79 -4 -8 -7 0.02 1.90 4 -8 7 -0.79 2.33 -4 -8 -8 48.62 4.00 4 -8 8 55.53 4.25 -4 -8 -9 4.01 1.97 4 -8 9 7.38 2.42 -4 -8 -10 11.99 2.18 4 -8 10 9.79 2.45 -4 -8 -11 10.33 2.21 4 -8 11 9.22 2.50 -4 -8 -12 90.51 6.35 4 -8 12 93.62 6.50 -4 -8 -13 1.45 2.07 4 -8 14 109.53 7.54 -4 -8 -15 3.57 2.18 4 -8 15 4.34 2.30 -4 -9 0 29.15 2.95 4 -9 0 30.86 3.17 -4 -9 -1 4.99 2.18 4 -9 1 4.86 2.34 -4 -9 -2 22.49 2.63 4 -9 2 25.85 3.00 -4 -9 -3 36.28 3.31 4 -9 3 42.54 3.65 -4 -9 -4 140.12 9.35 4 -9 4 141.76 9.45 -4 -9 -5 1.90 2.14 4 -9 5 0.09 2.43 -4 -9 -6 3.21 2.16 4 -9 7 45.76 3.99 -4 -9 -8 103.54 7.04 4 -9 8 101.39 7.14 -4 -9 -9 38.57 3.39 4 -9 9 41.56 3.67 -4 -9 -10 10.20 2.26 4 -9 10 12.35 2.50 -4 -9 -11 3.66 2.10 4 -9 11 4.09 2.38 -4 -9 -12 25.25 2.93 4 -9 12 31.47 3.15 -4 -9 -13 0.28 2.07 4 -9 13 0.90 2.45 -4 -9 -14 26.00 2.76 4 -9 14 24.43 3.06 -4 -10 0 270.48 17.25 4 -10 0 267.50 17.34 -4 -10 -1 59.88 4.46 4 -10 1 58.18 4.65 4 -10 2 133.51 9.00 -4 -10 -3 11.02 2.16 4 -10 3 7.99 2.65 -4 -10 -4 3.12 2.13 4 -10 4 0.63 2.57 -4 -10 -5 4.91 2.18 4 -10 5 3.48 2.56 -4 -10 -6 29.12 3.11 4 -10 6 33.70 3.33 -4 -10 -7 11.88 2.28 4 -10 7 8.41 2.62 -4 -10 -8 48.54 3.92 4 -10 8 44.94 4.05 4 -10 10 39.23 3.60 -4 -10 -11 1.36 2.09 4 -10 11 -4.97 2.45 -4 -10 -12 15.16 2.42 4 -10 12 19.08 2.73 -4 -10 -13 3.14 2.07 4 -10 13 3.12 2.42 -4 -11 0 16.75 2.46 4 -11 0 14.42 2.81 4 -11 2 100.84 7.11 -4 -11 -3 72.90 5.39 4 -11 3 77.79 5.70 -4 -11 -4 175.94 11.68 4 -11 4 181.98 11.78 -4 -11 -5 10.26 2.32 4 -11 5 11.41 2.73 -4 -11 -6 27.15 3.03 4 -11 6 27.71 3.26 -4 -11 -7 91.95 6.30 4 -11 7 86.64 6.40 -4 -11 -8 13.76 2.49 4 -11 8 9.49 2.65 -4 -11 -9 33.41 3.24 4 -11 9 30.28 3.28 -4 -11 -10 43.77 3.56 4 -11 10 36.26 3.66 -4 -11 -11 11.12 2.35 -4 -12 0 55.70 4.70 4 -12 0 74.12 5.05 -4 -12 -1 1.15 2.12 4 -12 1 1.80 2.75 -4 -12 -2 3.36 2.37 4 -12 2 2.64 2.73 -4 -12 -3 25.53 2.92 4 -12 3 24.35 3.21 4 -12 5 22.65 3.08 -4 -12 -6 126.60 8.47 4 -12 6 124.59 8.57 -4 -12 -7 1.34 2.28 4 -12 7 3.03 2.50 -4 -12 -8 18.72 2.64 4 -12 8 14.67 2.69 -4 -12 -9 1.51 2.34 4 -12 9 0.81 2.38 -4 -12 -10 -0.50 2.33 4 -12 10 3.85 2.44 -4 -13 0 1.86 2.14 4 -13 0 1.67 2.85 -4 -13 -1 63.49 4.92 4 -13 1 68.12 5.17 -4 -13 -2 110.81 7.42 4 -13 2 104.90 7.52 -4 -13 -3 -1.15 2.16 4 -13 3 1.43 2.55 -4 -13 -4 81.88 5.78 4 -13 4 78.09 5.91 -4 -13 -5 15.22 2.60 4 -13 5 20.34 3.00 -4 -13 -6 10.28 2.44 4 -13 6 6.46 2.64 -4 -14 0 8.86 2.43 4 -14 0 6.90 2.79 -4 -14 -2 51.87 4.22 4 -14 2 53.87 4.57 -4 -14 -3 9.91 2.35 4 -14 3 3.65 2.68 -4 -14 -4 1.49 2.17 4 -14 4 0.62 2.56 -4 -14 -5 13.35 2.42 4 -14 5 12.11 2.80 -4 -15 0 26.69 2.90 4 -15 0 20.75 3.18 -4 -15 -1 1.89 2.25 4 -15 1 2.60 2.64 4 -15 2 10.92 2.81 -5 0 0 135.05 8.83 -5 0 -1 -2.43 1.67 5 0 2 3.14 1.68 5 0 3 -0.57 0.74 5 0 3 1.14 1.77 5 0 4 4.12 1.02 5 0 4 7.70 1.89 -5 0 -4 6.46 1.16 -5 0 -4 6.22 1.22 -5 0 -4 10.63 1.87 5 0 5 1.85 1.23 5 0 5 -0.37 1.85 -5 0 -5 -4.18 1.85 5 0 6 139.48 9.17 5 0 6 150.83 9.38 -5 0 -6 141.17 9.17 -5 0 -6 138.19 9.17 -5 0 -6 150.10 9.34 5 0 7 2.02 2.33 -5 0 -7 0.29 1.21 -5 0 -7 2.13 1.32 -5 0 -7 -1.96 1.82 5 0 8 145.40 9.82 -5 0 -8 152.74 9.77 -5 0 -9 -4.21 2.07 5 0 10 91.53 6.56 -5 0 -10 98.19 6.50 5 0 11 2.51 2.29 -5 0 -11 -3.50 2.09 5 0 12 2.01 2.39 -5 0 -12 1.51 2.14 -5 0 -13 -2.71 2.19 -5 -1 0 303.54 19.32 5 1 1 53.49 3.72 -5 -1 -1 45.89 3.64 -5 1 -1 48.64 3.64 5 -1 1 49.86 3.73 5 1 2 1386.14 84.82 -5 -1 -2 1312.16 84.32 -5 1 -2 1323.65 84.44 5 -1 2 1376.08 84.84 5 1 3 5.53 0.85 5 1 3 5.81 1.74 -5 -1 -3 6.34 0.96 -5 -1 -3 5.89 1.03 -5 -1 -3 5.26 1.76 -5 1 -3 2.33 1.58 5 -1 3 2.93 0.92 5 -1 3 4.87 0.95 5 -1 3 5.61 1.96 5 1 4 2.81 1.69 -5 -1 -4 5.00 1.12 -5 -1 -4 5.43 1.21 -5 -1 -4 5.96 1.91 -5 1 -4 5.63 1.57 5 1 5 0.78 1.20 5 1 5 -0.45 1.70 -5 1 -5 0.58 1.61 5 -1 5 0.65 1.23 5 -1 5 -1.99 1.35 5 -1 5 1.33 1.98 5 1 6 305.68 19.84 5 1 6 323.97 19.97 -5 -1 -6 329.09 19.87 -5 -1 -6 339.58 19.88 -5 -1 -6 310.29 19.98 -5 1 -6 304.02 19.92 -5 1 -6 308.32 19.94 -5 1 -6 319.23 19.93 5 -1 6 289.48 19.96 5 -1 6 300.27 19.85 5 -1 6 333.48 20.06 -5 -1 -7 1.34 1.25 -5 -1 -7 0.07 1.28 -5 -1 -7 1.69 1.90 -5 1 -7 -1.67 1.23 -5 1 -7 0.90 1.27 5 -1 7 2.12 2.46 5 1 8 49.86 3.99 -5 -1 -8 55.09 4.05 -5 1 -8 51.36 3.82 5 -1 8 50.75 4.17 5 1 9 21.79 2.57 -5 -1 -9 16.87 2.60 -5 1 -9 21.07 2.39 5 -1 9 23.52 2.74 5 1 10 169.87 11.16 -5 -1 -10 169.19 11.19 -5 1 -10 170.60 11.11 5 -1 10 177.20 11.25 5 1 11 2.56 2.29 -5 -1 -11 4.27 2.21 -5 1 -11 5.52 2.03 -5 -1 -12 2.76 2.25 -5 -1 -13 5.48 2.32 5 -1 13 3.57 2.17 -5 -1 -14 79.83 5.53 5 -1 14 71.02 5.49 -5 -1 -15 1.49 2.38 -5 -2 0 29.61 2.76 5 -2 0 33.78 2.83 5 2 1 1.90 1.56 -5 -2 -1 0.39 1.74 5 -2 1 1.78 0.55 5 -2 1 1.23 0.56 5 -2 1 0.81 0.51 5 -2 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59.51 4.42 -5 2 -8 56.68 4.07 5 -2 8 55.79 4.56 5 2 9 2.91 2.05 -5 -2 -9 0.67 2.12 -5 2 -9 -3.70 1.58 5 -2 9 3.92 2.38 -5 -2 -10 33.89 3.24 5 -2 10 34.72 3.35 5 -2 11 23.78 3.00 -5 -2 -12 32.50 3.24 5 -2 12 35.42 3.38 -5 -2 -14 12.52 2.59 5 -2 14 16.46 2.65 -5 -2 -15 4.29 2.41 5 -2 15 6.59 2.39 -5 -2 -16 5.39 2.45 5 -2 16 6.55 2.39 -5 -3 0 155.01 9.73 -5 -3 0 160.80 9.72 -5 -3 0 153.42 9.73 5 -3 0 156.14 9.75 5 -3 0 152.90 9.74 5 -3 0 137.80 9.72 5 -3 0 186.27 10.12 5 -3 0 181.19 10.50 5 3 1 1.38 0.77 5 3 1 2.12 1.59 -5 -3 -1 2.29 0.75 -5 -3 -1 1.13 0.78 -5 -3 -1 0.66 1.77 5 -3 1 0.26 0.91 5 -3 1 1.32 0.87 5 -3 1 0.86 0.70 5 -3 1 1.31 1.58 5 -3 1 0.65 2.11 5 3 2 1.18 0.98 5 3 2 0.48 1.53 -5 -3 -2 0.44 0.90 -5 -3 -2 1.10 0.95 -5 -3 -2 1.40 1.84 5 -3 2 0.76 1.08 5 -3 2 1.91 1.09 5 -3 2 0.14 2.13 5 3 3 -0.69 1.44 -5 -3 -3 -0.87 1.00 -5 -3 -3 0.45 1.06 -5 -3 -3 -2.93 1.94 5 -3 3 2.02 1.20 5 -3 3 0.42 1.21 5 -3 3 2.06 2.33 5 3 4 153.58 8.94 5 3 4 137.29 8.95 -5 -3 -4 141.56 9.17 5 -3 4 134.21 8.92 5 -3 4 126.74 8.93 5 -3 4 148.97 9.32 5 3 5 1.92 1.47 5 3 5 2.29 1.36 -5 -3 -5 3.71 1.19 -5 -3 -5 1.96 1.18 -5 -3 -5 2.73 1.88 5 -3 5 3.42 1.42 5 -3 5 2.98 1.58 5 -3 5 1.33 2.37 5 3 6 452.88 27.79 5 3 6 413.19 27.76 -5 -3 -6 470.82 27.79 -5 -3 -6 453.70 27.76 -5 -3 -6 416.41 27.87 5 -3 6 429.63 27.95 -5 -3 -7 3.84 2.20 5 -3 7 5.14 2.55 -5 -3 -8 220.65 14.23 5 -3 9 19.40 2.81 5 -3 10 11.27 2.66 -5 -3 -11 25.32 2.90 5 -3 11 26.60 3.09 -5 -3 -12 34.25 3.17 5 -3 12 28.83 3.27 -5 -3 -13 13.18 2.62 5 -3 13 17.74 2.70 -5 -3 -14 17.57 2.69 5 -3 14 13.51 2.51 -5 -3 -15 0.48 2.35 5 -3 15 -7.21 2.43 -5 -3 -16 212.18 13.32 5 -3 16 196.69 13.24 -5 -3 -17 -5.67 2.41 5 -3 17 2.97 2.31 -5 -4 0 23.87 1.92 -5 -4 0 26.33 1.91 -5 -4 0 30.21 2.57 5 -4 0 27.01 2.29 5 -4 0 26.53 2.73 5 4 1 160.07 10.58 -5 -4 -1 165.36 10.36 -5 -4 -1 162.10 10.36 -5 -4 -1 172.44 10.63 5 -4 1 161.76 10.41 5 -4 1 165.50 10.42 5 -4 1 157.84 10.48 5 4 2 291.30 16.64 5 4 2 236.11 16.62 -5 -4 -2 290.23 16.60 -5 -4 -2 277.00 16.59 5 -4 2 255.62 16.60 5 -4 2 265.73 16.62 5 -4 2 224.70 16.59 5 4 3 54.69 4.01 5 4 3 51.90 3.91 -5 -4 -3 58.05 3.92 -5 -4 -3 65.53 3.94 5 -4 3 62.16 4.02 5 -4 3 58.62 4.01 5 -4 3 58.58 4.58 5 4 4 562.01 34.33 -5 -4 -4 584.33 34.29 -5 -4 -4 574.02 34.28 -5 -4 -4 523.45 34.45 5 -4 4 501.41 34.30 5 -4 4 512.12 34.30 5 -4 4 552.38 34.58 5 4 5 8.24 1.74 -5 -4 -5 7.55 1.35 -5 -4 -5 8.33 1.26 -5 -4 -5 8.62 2.10 5 -4 5 4.84 2.48 -5 -4 -6 0.33 1.23 -5 -4 -6 2.08 1.12 -5 -4 -6 0.81 2.12 5 -4 6 0.80 2.49 -5 -4 -7 25.82 2.96 5 -4 7 27.15 3.20 -5 -4 -8 93.29 6.47 -5 -4 -9 7.41 2.24 5 -4 9 8.00 2.67 -5 -4 -10 268.13 17.24 5 -4 11 39.24 3.72 -5 -4 -12 293.37 19.75 5 -4 12 326.90 19.83 -5 -4 -13 9.15 2.56 5 -4 13 9.61 2.56 -5 -4 -14 9.07 2.58 5 -4 14 10.46 2.37 -5 -4 -15 46.09 3.74 5 -4 15 36.52 3.56 5 -4 16 11.98 2.60 -5 -4 -17 0.28 2.35 5 -4 17 2.21 2.32 5 5 0 188.44 10.95 -5 -5 0 175.04 10.85 5 -5 0 182.58 10.70 5 -5 0 182.94 10.71 5 -5 0 133.95 10.56 5 -5 0 178.83 11.04 5 5 1 44.53 3.09 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2.75 -7 -3 -10 1.89 2.45 7 -3 10 1.93 2.68 7 -3 11 31.29 3.47 -7 -4 0 74.57 5.33 7 -4 0 70.35 5.49 -7 -4 -1 -0.75 2.21 7 -4 1 -0.19 2.68 -7 -4 -2 10.37 2.24 7 -4 2 4.27 2.76 -7 -4 -4 25.49 2.70 7 -4 4 15.94 3.12 -7 -4 -5 42.23 3.64 7 -4 5 39.00 4.01 -7 -4 -6 12.32 2.51 7 -4 6 10.53 2.93 -7 -4 -7 1.35 2.42 7 -4 7 0.39 2.77 -7 -4 -8 71.35 5.20 7 -4 8 65.16 5.35 7 -4 9 0.64 2.77 -7 -4 -10 65.90 4.82 7 -4 10 55.13 4.89 -7 -4 -11 22.82 3.04 7 -4 11 24.33 3.22 -7 -4 -12 3.30 2.68 7 -4 12 2.61 2.67 -7 -5 0 0.73 2.19 7 -5 0 -4.11 2.58 -7 -5 -1 -4.20 2.19 7 -5 1 1.41 2.68 -7 -5 -2 -1.87 2.09 7 -5 2 0.86 2.68 -7 -5 -3 7.04 2.23 7 -5 3 3.79 2.69 -7 -5 -4 0.55 2.33 7 -5 4 7.15 2.74 -7 -5 -6 49.40 3.93 7 -5 6 40.96 4.20 -7 -5 -7 3.55 2.42 7 -5 7 -1.45 2.79 -7 -5 -8 9.53 2.54 7 -5 8 6.78 2.85 -7 -5 -9 5.97 2.56 7 -5 9 6.69 2.84 -7 -5 -10 0.50 2.50 7 -5 10 2.16 2.73 -7 -5 -11 32.57 3.50 -7 -5 -12 3.53 2.62 7 -5 12 -1.87 2.62 -7 -6 0 0.36 2.15 7 -6 0 -3.71 2.49 -7 -6 -1 36.49 3.39 7 -6 1 37.99 3.78 -7 -6 -2 17.28 2.50 7 -6 2 19.88 2.96 -7 -6 -3 14.69 2.41 7 -6 3 16.30 3.09 -7 -6 -4 99.32 6.95 7 -6 4 101.79 7.16 -7 -6 -5 73.80 5.67 7 -6 5 85.34 6.04 -7 -6 -6 48.19 3.92 7 -6 6 40.18 4.13 -7 -6 -8 14.72 2.65 7 -6 8 11.85 2.96 -7 -6 -9 1.85 2.59 7 -6 9 -0.75 2.74 -7 -6 -10 19.27 3.05 7 -6 10 26.69 3.27 -7 -6 -11 6.79 2.72 7 -6 11 6.59 2.73 -7 -7 0 94.21 6.58 7 -7 0 93.90 6.72 -7 -7 -2 7.90 2.27 7 -7 2 9.02 2.63 -7 -7 -3 9.04 2.26 7 -7 3 6.72 2.78 -7 -7 -4 41.12 3.60 7 -7 4 39.14 3.87 -7 -7 -5 18.78 2.77 7 -7 5 16.94 3.13 -7 -7 -6 208.57 12.86 7 -7 6 183.42 12.87 -7 -7 -7 0.70 2.37 7 -7 7 0.69 2.74 7 -7 8 86.63 6.35 -7 -7 -9 63.67 4.85 7 -7 9 58.38 4.96 -7 -7 -10 1.33 2.49 7 -7 10 1.44 2.62 -7 -8 0 0.93 2.16 7 -8 0 2.46 2.61 -7 -8 -1 71.14 5.37 7 -8 1 76.75 5.57 -7 -8 -2 34.14 3.16 7 -8 2 28.13 3.45 -7 -8 -4 146.58 10.13 7 -8 4 161.57 10.31 -7 -8 -5 35.19 3.47 7 -8 5 36.52 3.75 -7 -8 -6 65.28 4.84 7 -8 6 60.30 5.06 -7 -8 -7 18.92 2.73 7 -8 7 14.90 2.97 -7 -8 -8 3.28 2.45 7 -8 8 3.90 2.70 -7 -9 0 33.20 3.18 7 -9 0 29.72 3.35 -7 -9 -1 16.07 2.49 7 -9 1 19.94 2.95 -7 -9 -2 1.46 2.15 7 -9 2 -7.78 2.72 -7 -9 -3 0.73 2.21 7 -9 3 4.51 2.86 -7 -9 -4 27.90 2.93 7 -9 4 24.28 3.31 -7 -9 -6 66.49 4.90 7 -9 6 60.73 5.05 -7 -10 0 9.59 2.28 7 -10 0 7.37 2.66 -7 -10 -1 13.00 2.47 7 -10 1 12.14 2.86 -7 -10 -2 18.99 2.61 7 -10 2 16.06 2.96 -7 -10 -3 1.75 2.17 7 -10 3 0.29 2.71 -7 -10 -4 33.49 3.10 7 -10 4 24.34 3.43 8 0 0 19.74 2.62 8 0 1 1.81 2.18 8 0 2 8.04 2.25 -8 -1 -1 9.44 2.28 8 -1 1 7.82 2.40 -8 -1 -2 111.56 7.64 8 -1 2 108.65 7.57 -8 -1 -3 4.24 2.29 8 -1 3 1.44 2.38 -8 -1 -4 131.50 8.71 8 -1 4 124.99 8.77 -8 -2 0 13.98 2.47 8 -2 0 15.68 2.70 -8 -2 -1 4.06 2.35 8 -2 1 5.91 2.54 -8 -2 -2 5.61 2.37 -8 -2 -3 14.39 2.59 8 -2 3 18.26 3.00 -8 -2 -4 0.21 2.28 8 -2 4 2.77 2.74 -8 -2 -5 0.51 2.27 8 -2 5 0.09 2.84 8 -2 6 45.68 4.24 -8 -3 0 4.43 2.31 8 -3 0 5.74 2.70 -8 -3 -1 23.49 2.85 8 -3 1 19.29 3.19 -8 -3 -2 14.09 2.58 8 -3 2 14.01 2.90 -8 -3 -3 0.44 2.32 8 -3 3 1.10 2.80 -8 -3 -4 5.63 2.37 -8 -3 -5 9.83 2.46 8 -3 5 6.33 2.98 -8 -3 -6 0.84 2.30 8 -3 6 3.47 2.85 -8 -3 -7 2.35 2.25 8 -3 7 3.55 2.80 -8 -4 0 -3.82 2.42 8 -4 0 0.85 2.78 -8 -4 -1 16.36 2.64 8 -4 1 15.13 3.09 -8 -4 -2 12.00 2.53 8 -4 2 12.01 2.96 -8 -4 -3 2.24 2.33 8 -4 3 3.53 2.83 -8 -4 -4 17.96 2.80 8 -4 4 20.26 3.18 8 -4 5 4.42 2.99 -8 -4 -6 11.94 2.40 8 -4 6 9.27 2.98 -8 -4 -7 0.58 2.26 8 -4 7 2.27 2.79 -8 -4 -8 7.43 2.38 8 -4 8 11.94 2.90 8 -4 9 5.23 2.84 -8 -5 0 62.68 4.76 8 -5 0 58.51 4.96 -8 -5 -2 127.55 8.57 8 -5 2 125.21 8.79 -8 -5 -3 -2.56 2.24 8 -5 3 3.15 2.86 -8 -5 -4 32.09 3.18 8 -5 4 28.84 3.56 -8 -5 -5 32.49 3.09 8 -5 5 26.82 3.63 -8 -5 -6 32.45 3.00 8 -5 6 17.98 3.41 -8 -5 -7 10.54 2.43 -8 -5 -8 14.96 2.48 8 -5 8 8.65 2.92 -8 -5 -9 2.43 2.39 8 -5 9 1.06 2.75 -8 -6 0 -0.43 2.31 8 -6 0 -6.14 2.80 -8 -6 -1 0.71 2.28 8 -6 1 1.55 2.63 8 -6 2 15.29 2.96 -8 -6 -3 -1.30 2.36 -8 -6 -4 2.23 2.27 8 -6 4 2.38 2.88 -8 -6 -5 7.60 2.29 8 -6 5 3.81 2.88 -8 -6 -6 43.26 3.80 8 -6 6 41.20 4.09 -8 -6 -7 1.24 2.26 8 -6 7 0.85 2.75 -8 -7 0 77.23 5.39 8 -7 0 66.96 5.54 -8 -7 -1 17.37 2.59 8 -7 1 13.49 2.94 -8 -7 -2 73.78 5.26 8 -7 2 66.03 5.46 -8 -7 -3 3.07 2.31 8 -7 3 2.14 2.75 8 -7 4 51.91 4.56 -8 -7 -5 2.21 2.22 -8 -7 -6 44.49 3.80 -8 -8 0 2.83 2.37 8 -8 0 2.77 2.71 -8 -8 -1 -3.98 2.30 8 -8 1 2.08 2.67 -8 -8 -2 10.54 2.51 8 -8 2 10.81 2.84 -8 -8 -3 34.87 3.27 8 -8 3 31.02 3.60 9 -1 0 4.06 2.44 9 -2 0 22.82 3.04 9 -2 1 0.19 2.48 9 -2 2 15.20 2.99 9 -3 0 72.02 5.61 -9 -3 -1 -5.44 2.32 9 -3 1 0.00 2.67 -9 -3 -2 16.05 2.61 9 -3 2 16.36 3.15 9 -3 3 9.67 2.98 9 -4 0 2.17 2.87 -9 -4 -1 5.44 2.34 -9 -4 -2 16.72 2.69 9 -4 2 13.05 3.08 -9 -4 -3 21.53 2.87 9 -4 3 19.48 3.25 -9 -4 -4 21.08 2.83 9 -4 4 14.65 3.26 9 -4 5 -2.21 2.88 -9 -5 0 59.42 4.51 9 -5 0 49.34 4.69 -9 -5 -1 5.40 2.44 9 -5 1 1.01 2.79 9 -5 2 0.95 2.82 -9 -5 -3 9.17 2.51 -9 -5 -4 -2.03 2.35 -9 -6 0 31.05 3.29 0 0 0 0.00 0.00 ; _shelx_hkl_checksum 9878 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y-1/2, z-1/2' 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 S1 S 0.23776(9) 0.24091(5) 0.43963(4) 0.0201(2) Uani 1 1 d . . . . . O1 O 0.1044(3) 0.12182(17) 0.45022(12) 0.0257(4) Uani 1 1 d . . . . . O2 O 0.3291(3) 0.25729(16) 0.34573(13) 0.0261(4) Uani 1 1 d . . . . . N1 N 0.9931(4) 0.1390(2) 0.67202(16) 0.0270(5) Uani 1 1 d D . . . . C1 C -0.0862(4) 0.6141(2) 0.53163(16) 0.0203(4) Uani 1 1 d . . . . . C2 C 0.1176(4) 0.5697(2) 0.58358(16) 0.0215(5) Uani 1 1 d . . . . . H2 H 0.1933 0.6180 0.6386 0.026 Uiso 1 1 calc R . . . . C3 C 0.2067(4) 0.4508(2) 0.55134(16) 0.0200(4) Uani 1 1 d . . . . . C5 C 0.4502(2) 0.26296(13) 0.53869(9) 0.0206(5) Uani 1 1 d . . . . . C6 C 0.6422(2) 0.18345(12) 0.56504(10) 0.0223(5) Uani 1 1 d DG . . . . H6 H 0.6643 0.1049 0.5281 0.027 Uiso 1 1 calc R . . . . C7 C 0.8018(2) 0.21881(13) 0.64551(10) 0.0221(5) Uani 1 1 d G . . . . C8 C 0.7695(2) 0.33369(14) 0.69963(9) 0.0239(5) Uani 1 1 d DG . . . . H8 H 0.8786 0.3579 0.7546 0.029 Uiso 1 1 calc R . . . . C9 C 0.5775(2) 0.41321(12) 0.67328(10) 0.0229(5) Uani 1 1 d G . . . . H9 H 0.5554 0.4917 0.7103 0.028 Uiso 1 1 calc R . . . . C4 C 0.4179(2) 0.37785(13) 0.59281(10) 0.0206(5) Uani 1 1 d G . . . . H1A H 1.112(6) 0.171(4) 0.707(3) 0.044(9) Uiso 1 1 d . . . . . H1B H 1.021(6) 0.073(4) 0.631(3) 0.056(11) Uiso 1 1 d . . . . . 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 S1 0.0236(3) 0.0173(3) 0.0186(3) -0.00231(19) -0.0002(2) 0.0019(2) O1 0.0289(9) 0.0195(8) 0.0277(8) -0.0035(7) -0.0001(7) -0.0006(7) O2 0.0313(9) 0.0266(9) 0.0205(8) -0.0012(6) 0.0035(7) 0.0045(7) N1 0.0279(11) 0.0259(11) 0.0254(10) -0.0050(8) -0.0037(8) 0.0058(9) C1 0.0252(11) 0.0157(10) 0.0204(10) -0.0010(8) 0.0042(8) 0.0014(8) C2 0.0254(11) 0.0194(10) 0.0192(10) -0.0018(8) 0.0012(8) -0.0015(9) C3 0.0228(10) 0.0177(10) 0.0194(10) -0.0002(8) 0.0021(8) -0.0009(8) C5 0.0221(11) 0.0205(11) 0.0189(10) 0.0008(8) 0.0012(8) -0.0012(8) C6 0.0254(11) 0.0176(11) 0.0237(11) -0.0016(8) 0.0018(9) 0.0026(9) C7 0.0242(11) 0.0203(11) 0.0215(11) 0.0029(8) 0.0021(9) -0.0007(9) C8 0.0277(11) 0.0228(11) 0.0200(10) -0.0004(8) -0.0015(9) -0.0023(9) C9 0.0284(12) 0.0179(10) 0.0218(10) -0.0025(8) 0.0007(9) -0.0016(9) C4 0.0230(11) 0.0184(10) 0.0205(10) 0.0010(8) 0.0031(8) 0.0003(8) loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0030 0.0010 '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 0.0060 0.0030 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' O O 0.0100 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' S S 0.1190 0.1170 '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 O1 S1 O2 116.40(10) . . O1 S1 C1 111.36(11) . 3_566 O1 S1 C5 112.17(9) . . O2 S1 C1 110.44(10) . 3_566 O2 S1 C5 110.77(10) . . C5 S1 C1 93.39(9) . 3_566 C7 N1 H1A 120(2) . . C7 N1 H1B 118(2) . . H1A N1 H1B 115(3) . . C2 C1 S1 125.38(17) . 3_566 C2 C1 C3 124.9(2) . 3_566 C3 C1 S1 109.71(17) 3_566 3_566 C1 C2 H2 121.6 . . C1 C2 C3 116.8(2) . . C3 C2 H2 121.6 . . C1 C3 C4 112.66(18) 3_566 . C2 C3 C1 118.3(2) . 3_566 C2 C3 C4 129.08(19) . . C6 C5 S1 127.56(8) . . C6 C5 C4 120.0 . . C4 C5 S1 112.40(8) . . C5 C6 H6 120.0 . . C7 C6 C5 120.0 . . C7 C6 H6 120.0 . . N1 C7 C6 119.96(12) . . N1 C7 C8 120.04(12) . . C6 C7 C8 120.0 . . C7 C8 H8 120.0 . . C7 C8 C9 120.0 . . C9 C8 H8 120.0 . . C8 C9 H9 120.0 . . C4 C9 C8 120.0 . . C4 C9 H9 120.0 . . C5 C4 C3 111.79(12) . . C9 C4 C3 128.19(12) . . C9 C4 C5 120.0 . . loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 S1 O1 1.4448(18) . S1 O2 1.4453(18) . S1 C1 1.772(2) 3_566 S1 C5 1.7265(11) . N1 C7 1.389(2) . N1 H1A 0.86(4) . N1 H1B 0.89(4) . C1 S1 1.772(2) 3_566 C1 C2 1.384(3) . C1 C3 1.408(3) 3_566 C2 H2 0.9500 . C2 C3 1.394(3) . C3 C1 1.408(3) 3_566 C3 C4 1.487(2) . C5 C6 1.3900 . C5 C4 1.3900 . C6 H6 0.9500 . C6 C7 1.3900 . C7 C8 1.3900 . C8 H8 0.9500 . C8 C9 1.3900 . C9 H9 0.9500 . C9 C4 1.3900 . loop_ _geom_hbond_atom_site_label_D _geom_hbond_atom_site_label_H _geom_hbond_atom_site_label_A _geom_hbond_distance_DH _geom_hbond_distance_HA _geom_hbond_distance_DA _geom_hbond_angle_DHA _geom_hbond_site_symmetry_A N1 H1A O2 0.86(4) 2.24(4) 3.054(3) 157(3) 4_666 N1 H1B O1 0.89(4) 2.59(4) 3.147(3) 121(3) 1_655 N1 H1B O1 0.89(4) 2.32(4) 3.109(3) 148(3) 3_656