#------------------------------------------------------------------------------ #$Date: 2017-11-03 05:39:29 +0200 (Fri, 03 Nov 2017) $ #$Revision: 202532 $ #$URL: file:///home/coder/svn-repositories/cod/cif/7/22/94/7229484.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_7229484 loop_ _publ_author_name 'Takeda, Takashi' 'Noro, Shin-ichiro' 'Nakamura, Takayoshi' 'Suzuki, Yasutaka' 'Kawamata, Jun' 'Akutagawa, Tomoyuki' _publ_section_title ; Selective MeCN/EtCN sorption and preferential inclusion of substituted benzenes in a cage structure with arylsulfonamide-armed anthraquinones ; _journal_name_full CrystEngComm _journal_paper_doi 10.1039/C7CE01752A _journal_year 2017 _chemical_formula_moiety 'C30 H25 N3 O6 S2' _chemical_formula_sum 'C30 H25 N3 O6 S2' _chemical_formula_weight 587.66 _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 _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _audit_update_record ; 2017-05-15 deposited with the CCDC. 2017-11-02 downloaded from the CCDC. ; _cell_angle_alpha 86.7619(9) _cell_angle_beta 79.0870(8) _cell_angle_gamma 86.3097(11) _cell_formula_units_Z 2 _cell_length_a 8.70878(16) _cell_length_b 12.5376(2) _cell_length_c 12.6766(2) _cell_measurement_reflns_used 8375 _cell_measurement_temperature 100 _cell_measurement_theta_max 68.20 _cell_measurement_theta_min 3.54 _cell_volume 1354.89(4) _computing_cell_refinement 'RAPID AUTO' _computing_data_collection 'RAPID AUTO (Rigaku, ????)' _computing_data_reduction 'RAPID AUTO' _computing_molecular_graphics 'CrystalStructure 4.1' _computing_publication_material 'CrystalStructure 4.1 (Rigaku, 2014)' _computing_structure_refinement 'SHELXL2013 (Sheldrick, 2008)' _computing_structure_solution 'SIR2011 (Burla, et al., 2012)' _diffrn_ambient_temperature 100 _diffrn_detector_area_resol_mean 10.000 _diffrn_measured_fraction_theta_full 0.981 _diffrn_measured_fraction_theta_max 0.980 _diffrn_measurement_device_type 'Rigaku R-AXIS RAPID' _diffrn_measurement_method \w _diffrn_radiation_type 'Cu K\a' _diffrn_radiation_wavelength 1.54187 _diffrn_reflns_av_R_equivalents 0.0744 _diffrn_reflns_Laue_measured_fraction_full 0.981 _diffrn_reflns_Laue_measured_fraction_max 0.980 _diffrn_reflns_limit_h_max 10 _diffrn_reflns_limit_h_min -10 _diffrn_reflns_limit_k_max 15 _diffrn_reflns_limit_k_min -14 _diffrn_reflns_limit_l_max 15 _diffrn_reflns_limit_l_min -14 _diffrn_reflns_number 14710 _diffrn_reflns_point_group_measured_fraction_full 0.981 _diffrn_reflns_point_group_measured_fraction_max 0.980 _diffrn_reflns_theta_full 67.687 _diffrn_reflns_theta_max 68.202 _diffrn_reflns_theta_min 3.536 _diffrn_standards_number 0 _exptl_absorpt_coefficient_mu 2.214 _exptl_absorpt_correction_T_max 0.895 _exptl_absorpt_correction_T_min 0.884 _exptl_absorpt_correction_type numerical _exptl_absorpt_process_details 'NUMABS (Rigaku, 1999)' _exptl_crystal_colour unknown _exptl_crystal_density_diffrn 1.440 _exptl_crystal_density_method 'not measured' _exptl_crystal_description unknown _exptl_crystal_F_000 612.00 _exptl_crystal_recrystallization_method 'Re-crystallisation from solvent' _exptl_crystal_size_max 0.200 _exptl_crystal_size_mid 0.150 _exptl_crystal_size_min 0.050 _refine_diff_density_max 0.49 _refine_diff_density_min -0.59 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.104 _refine_ls_hydrogen_treatment constr _refine_ls_number_parameters 390 _refine_ls_number_reflns 4849 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0661 _refine_ls_R_factor_gt 0.0514 _refine_ls_shift/su_max 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w = 1/[\s^2^(Fo^2^)+(0.0869P)^2^+0.2295P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.1429 _refine_ls_wR_factor_ref 0.1506 _reflns_number_gt 3950 _reflns_number_total 4849 _reflns_threshold_expression F^2^>2.0\s(F^2^) _cod_data_source_file c7ce01752a2.cif _cod_data_source_block 150911TT _cod_database_code 7229484 _shelxl_res_file ; shelxl.res created by SHELXL-2014/7 TITL 150911TT CELL 1.54187 8.70878 12.53759 12.67664 86.76190 79.08700 86.30970 ZERR 2 0.00016 0.00023 0.00023 0.00090 0.00080 0.00110 LATT 1 SFAC C H O N S UNIT 60 50 12 6 4 L.S. 10 FMAP 2 PLAN -21 WPDB -2 HTAB BOND $H CONF LIST 4 TEMP -173.0 ACTA SIZE 0.200 0.150 0.050 WGHT 0.086900 0.229500 FVAR 1.12405 S1 5 0.449549 -0.238040 0.287555 11.00000 0.02158 0.02170 = 0.02261 0.00150 -0.00478 0.00211 S2 5 0.268376 0.350216 0.146672 11.00000 0.02321 0.01819 = 0.02621 -0.00340 -0.00184 0.00005 O1 3 0.371466 0.034564 0.125134 11.00000 0.02977 0.02149 = 0.02462 -0.00223 -0.00874 0.00111 O2 3 0.098560 -0.081986 -0.194015 11.00000 0.04914 0.02871 = 0.03094 -0.00414 -0.01875 -0.00036 O3 3 0.363253 0.337877 0.227479 11.00000 0.02682 0.02718 = 0.03329 -0.00789 -0.00748 -0.00040 O4 3 0.299956 0.431313 0.062463 11.00000 0.03093 0.01937 = 0.03496 0.00060 0.00347 -0.00259 O5 3 0.539892 -0.335285 0.258513 11.00000 0.02454 0.02248 = 0.03033 0.00204 -0.00225 0.00577 O6 3 0.501338 -0.168211 0.357714 11.00000 0.02793 0.02946 = 0.02824 -0.00034 -0.00884 0.00031 N2 4 0.284723 0.232508 0.095346 11.00000 0.02724 0.01694 = 0.02247 -0.00200 -0.00497 0.00132 H2 2 0.325552 0.181734 0.130756 11.00000 0.03505 N32 4 0.438612 -0.162494 0.178792 11.00000 0.02554 0.01771 = 0.02258 0.00038 -0.00314 -0.00002 H32 2 0.436471 -0.102445 0.190492 11.00000 0.03798 N34 4 0.271285 0.079578 0.377981 11.00000 0.04683 0.04008 = 0.05051 -0.00998 -0.00936 0.00603 C1 1 0.225197 0.089149 -0.009813 11.00000 0.01818 0.02233 = 0.01786 -0.00025 0.00163 -0.00110 C3 1 0.158235 0.058355 -0.095635 11.00000 0.02119 0.02250 = 0.01929 -0.00008 0.00094 -0.00076 C4 1 0.369869 -0.188966 0.092984 11.00000 0.01837 0.02218 = 0.01810 0.00019 0.00186 -0.00001 C5 1 0.237439 -0.137438 -0.055619 11.00000 0.02271 0.02211 = 0.01888 -0.00017 0.00099 -0.00114 C6 1 0.305794 -0.322098 -0.020228 11.00000 0.03248 0.01946 = 0.02426 -0.00210 -0.00012 -0.00297 AFIX 43 H6 2 0.307347 -0.394901 -0.037695 11.00000 -1.20000 AFIX 0 C7 1 0.146631 0.273473 -0.053491 11.00000 0.02961 0.02082 = 0.02371 0.00163 0.00060 0.00233 AFIX 43 H7 2 0.140303 0.347281 -0.038897 11.00000 -1.20000 AFIX 0 C8 1 0.059890 -0.399591 0.388597 11.00000 0.02744 0.02705 = 0.02160 -0.00057 -0.00664 -0.00231 AFIX 43 H8 2 0.030679 -0.471620 0.392473 11.00000 -1.20000 AFIX 0 C9 1 0.145945 -0.188251 0.378542 11.00000 0.03055 0.02317 = 0.01935 -0.00016 -0.00549 0.00238 AFIX 43 H9 2 0.175754 -0.116380 0.375011 11.00000 -1.20000 AFIX 0 C10 1 0.255788 -0.270969 0.341197 11.00000 0.02208 0.02352 = 0.01537 0.00090 -0.00226 0.00118 C11 1 0.218993 0.199352 0.011182 11.00000 0.01962 0.02251 = 0.01916 -0.00009 0.00251 -0.00025 C12 1 0.302586 -0.106967 0.030840 11.00000 0.01894 0.02095 = 0.01850 -0.00103 0.00134 -0.00109 C13 1 0.084809 0.241080 -0.137530 11.00000 0.03344 0.02537 = 0.02324 0.00476 -0.00400 0.00406 AFIX 43 H13 2 0.038231 0.292817 -0.181211 11.00000 -1.20000 AFIX 0 C14 1 0.089613 0.133445 -0.159408 11.00000 0.02606 0.02947 = 0.01960 -0.00039 -0.00280 -0.00024 AFIX 43 H14 2 0.046273 0.111514 -0.217531 11.00000 -1.20000 AFIX 0 C15 1 0.369599 -0.295835 0.065767 11.00000 0.02404 0.02066 = 0.02351 0.00084 0.00071 0.00148 AFIX 43 H15 2 0.414000 -0.350856 0.107173 11.00000 -1.20000 AFIX 0 C16 1 0.160255 -0.055951 -0.121814 11.00000 0.02430 0.02470 = 0.02098 -0.00151 -0.00198 -0.00119 C17 1 0.239462 -0.243526 -0.081427 11.00000 0.03013 0.02370 = 0.02081 -0.00332 -0.00283 -0.00253 AFIX 43 H17 2 0.195697 -0.262170 -0.140618 11.00000 -1.20000 AFIX 0 C18 1 -0.235013 0.400665 0.319895 11.00000 0.02259 0.02377 = 0.02242 -0.00652 -0.00528 -0.00026 C19 1 0.014272 0.299621 0.296446 11.00000 0.02666 0.02149 = 0.02429 -0.00065 -0.00850 -0.00070 AFIX 43 H19 2 0.078951 0.241442 0.317487 11.00000 -1.20000 AFIX 0 C20 1 -0.006730 -0.213443 0.420637 11.00000 0.02533 0.02937 = 0.02125 -0.00078 -0.00507 0.00534 AFIX 43 H20 2 -0.082216 -0.158071 0.445757 11.00000 -1.20000 AFIX 0 C21 1 0.070861 0.368378 0.210413 11.00000 0.02226 0.02005 = 0.02127 -0.00643 -0.00391 -0.00075 C22 1 0.213634 -0.375799 0.344825 11.00000 0.02786 0.02705 = 0.01933 -0.00155 -0.00629 0.00272 AFIX 43 H22 2 0.288502 -0.430829 0.317835 11.00000 -1.20000 AFIX 0 C23 1 -0.176462 0.468290 0.232482 11.00000 0.02692 0.02078 = 0.02462 -0.00425 -0.00658 0.00402 AFIX 43 H23 2 -0.241647 0.525725 0.210564 11.00000 -1.20000 AFIX 0 C24 1 -0.137539 0.316868 0.351196 11.00000 0.02604 0.02527 = 0.01975 0.00015 -0.00621 -0.00195 AFIX 43 H24 2 -0.176228 0.270891 0.411181 11.00000 -1.20000 AFIX 0 C25 1 -0.217052 -0.345471 0.474112 11.00000 0.02584 0.03887 = 0.02610 -0.00290 -0.00571 0.00018 AFIX 33 H25A 2 -0.278498 -0.279637 0.496519 11.00000 -1.20000 H25B 2 -0.263189 -0.378596 0.420104 11.00000 -1.20000 H25C 2 -0.217452 -0.395222 0.536621 11.00000 -1.20000 AFIX 0 C26 1 -0.051662 -0.319369 0.426770 11.00000 0.02655 0.03089 = 0.01650 0.00031 -0.00769 -0.00191 C27 1 -0.023629 0.452525 0.177056 11.00000 0.02990 0.02032 = 0.02212 -0.00262 -0.00565 -0.00037 AFIX 43 H27 2 0.015799 0.498514 0.117260 11.00000 -1.20000 AFIX 0 C28 1 -0.400701 0.416965 0.380529 11.00000 0.02417 0.03050 = 0.02724 -0.00281 -0.00370 0.00119 AFIX 33 H28A 2 -0.420711 0.362122 0.438935 11.00000 -1.20000 H28B 2 -0.415116 0.487998 0.410633 11.00000 -1.20000 H28C 2 -0.473943 0.411367 0.331418 11.00000 -1.20000 AFIX 0 C29 1 0.400559 0.088964 0.377433 11.00000 0.04844 0.02552 = 0.02904 -0.00706 -0.00264 0.00021 C31 1 0.566310 0.100522 0.377290 11.00000 0.04756 0.05284 = 0.04536 -0.00920 0.00094 -0.01668 H31A 2 0.597307 0.162042 0.321860 11.00000 0.11407 H31B 2 0.611427 0.032311 0.361329 11.00000 0.10710 H31C 2 0.582007 0.130663 0.450906 11.00000 0.05392 C33 1 0.303057 0.007102 0.053820 11.00000 0.01787 0.02169 = 0.01595 -0.00057 0.00255 0.00119 HKLF 4 REM 150911TT REM R1 = 0.0514 for 3950 Fo > 4sig(Fo) and 0.0661 for all 4849 data REM 390 parameters refined using 0 restraints END WGHT 0.0869 0.2295 REM Instructions for potential hydrogen bonds HTAB N2 O1 HTAB N32 O1 HTAB C7 O4 HTAB C9 N34 HTAB C15 O5 EQIV $1 -x+1, -y, -z+1 HTAB C31 O6_$1 REM Highest difference peak 0.490, deepest hole -0.591, 1-sigma level 0.088 Q1 1 -0.2368 -0.3235 0.5438 11.00000 0.05 0.49 Q2 1 0.2786 0.2874 0.1173 11.00000 0.05 0.49 Q3 1 -0.2704 -0.3121 0.4347 11.00000 0.05 0.47 Q4 1 -0.2258 -0.4282 0.4614 11.00000 0.05 0.47 Q5 1 -0.4734 0.3634 0.3537 11.00000 0.05 0.40 Q6 1 -0.4109 0.4070 0.4721 11.00000 0.05 0.38 Q7 1 -0.4435 0.4838 0.3606 11.00000 0.05 0.34 Q8 1 0.4699 -0.1145 0.3467 11.00000 0.05 0.31 Q9 1 0.1558 0.0010 -0.1025 11.00000 0.05 0.30 Q10 1 0.2038 0.0059 0.2206 11.00000 0.05 0.30 Q11 1 0.3468 -0.2626 0.3108 11.00000 0.05 0.29 Q12 1 0.1289 0.3953 0.1655 11.00000 0.05 0.29 Q13 1 -0.3007 0.4123 0.3437 11.00000 0.05 0.28 Q14 1 0.3870 0.3981 0.1805 11.00000 0.05 0.28 Q15 1 0.3027 -0.0487 0.0354 11.00000 0.05 0.28 Q16 1 0.3607 0.3603 0.2630 11.00000 0.05 0.28 Q17 1 0.1454 0.2972 0.1240 11.00000 0.05 0.27 Q18 1 0.1695 0.3176 -0.0557 11.00000 0.05 0.26 Q19 1 0.4978 -0.3791 0.2368 11.00000 0.05 0.26 Q20 1 0.4996 -0.1351 0.3946 11.00000 0.05 0.26 Q21 1 0.3645 -0.2393 0.0828 11.00000 0.05 0.26 ; _shelxl_hkl_file ; 0 0 1 6753.19 380.01 0 0 1 6511.23 370.89 0 0 1 6645.19 378.26 0 0 1 6381.04 365.23 0 0 1 6814.13 389.27 0 0 -1 6421.17 363.88 0 0 -1 6573.69 373.29 0 0 -1 6482.66 361.31 0 0 -1 6404.79 363.12 0 0 -1 6304.89 358.55 0 0 2 235.12 11.81 0 0 2 236.55 12.21 0 0 2 248.76 11.72 0 0 2 230.05 14.46 0 0 -2 222.33 11.17 0 0 -2 217.08 10.69 0 0 -2 216.71 11.19 0 0 -2 249.64 9.61 0 0 3 2687.42 146.88 0 0 3 2827.11 151.47 0 0 3 2775.40 150.39 0 0 3 2720.92 144.02 0 0 3 2770.22 147.16 0 0 -3 2895.34 142.79 0 0 -3 2648.50 140.55 0 0 -3 2600.47 139.81 0 0 4 7328.09 473.52 0 0 4 7493.56 476.54 0 0 4 7684.54 494.49 0 0 4 7660.26 485.86 0 0 4 7470.88 479.51 0 0 -4 7258.01 452.69 0 0 -4 7114.17 442.56 0 0 -4 7357.52 459.88 0 0 -4 6307.27 380.73 0 0 5 280.16 19.12 0 0 5 304.16 16.81 0 0 5 294.25 19.31 0 0 5 304.86 17.86 0 0 5 272.61 18.38 0 0 -5 279.47 15.58 0 0 -5 279.08 16.83 0 0 -5 292.49 17.51 0 0 6 47.20 7.99 0 0 6 28.23 7.04 0 0 6 32.86 8.04 0 0 6 34.92 5.16 0 0 -6 26.86 6.42 0 0 -6 0.54 7.44 0 0 -6 33.34 5.85 0 0 -6 28.36 6.35 0 0 7 162.60 15.61 0 0 7 176.06 11.59 0 0 7 182.05 16.16 0 0 7 180.24 17.28 0 0 -7 160.72 14.04 0 0 -7 154.70 10.46 0 0 -7 178.73 13.45 0 0 8 130.61 14.68 0 0 8 113.91 15.68 0 0 8 121.72 9.61 0 0 8 120.12 13.99 0 0 -8 104.07 8.50 0 0 -8 122.89 11.54 0 0 -8 112.44 12.89 0 0 9 431.57 32.86 0 0 9 448.24 36.89 0 0 -9 423.49 30.88 0 0 10 56.00 13.00 0 0 10 51.20 15.64 0 0 -10 47.04 11.67 0 0 11 43.38 14.41 0 0 11 36.72 12.58 0 0 -11 26.35 10.32 0 0 12 187.13 26.01 0 0 12 185.33 22.99 0 0 -12 146.21 16.37 0 0 13 79.50 25.91 0 0 13 84.81 14.95 0 0 -13 51.10 9.54 0 0 14 396.95 30.63 0 0 14 373.35 35.75 0 0 -14 153.36 15.16 0 1 -14 24.10 6.51 0 -1 14 42.28 10.52 0 -1 14 41.81 13.12 0 1 -13 81.73 12.85 0 -1 13 96.81 19.89 0 -1 13 110.45 17.00 0 1 -12 752.38 54.35 0 -1 12 839.22 62.40 0 -1 12 837.66 67.90 0 1 -11 366.29 34.66 0 -1 11 416.96 37.25 0 -1 11 434.49 41.38 0 1 -10 1175.31 80.32 0 -1 10 1311.45 94.84 0 -1 10 1286.49 89.07 0 1 -9 38.67 10.21 0 -1 9 48.45 12.82 0 -1 9 45.44 11.59 0 1 -8 29.15 3.98 0 1 -8 30.35 8.75 0 1 -8 32.01 7.77 0 -1 8 37.74 9.17 0 -1 8 30.52 9.02 0 -1 8 33.88 10.36 0 1 -7 -0.87 3.55 0 1 -7 -0.62 3.23 0 1 -7 1.10 1.46 0 -1 7 -0.09 3.76 0 -1 7 1.01 2.85 0 -1 7 0.48 4.23 0 -1 7 0.02 3.13 0 -1 7 2.88 3.73 0 1 -6 581.12 34.39 0 1 -6 556.71 27.33 0 1 -6 617.79 35.02 0 1 -6 508.47 23.27 0 -1 6 670.99 36.45 0 -1 6 567.82 35.68 0 -1 6 618.28 31.26 0 -1 6 636.96 37.47 0 -1 6 585.48 37.09 0 1 -5 227.38 10.21 0 1 -5 210.82 15.42 0 1 -5 203.51 20.41 0 -1 5 217.34 17.01 0 -1 5 238.94 15.24 0 -1 5 218.86 14.95 0 -1 5 228.83 16.55 0 -1 5 208.86 16.55 0 1 -4 2422.84 133.17 0 1 -4 2801.13 144.47 0 1 -4 2484.79 136.52 0 -1 4 2624.49 136.73 0 -1 4 2501.27 136.22 0 -1 4 2535.33 142.25 0 -1 4 2371.70 134.02 0 -1 4 2610.11 139.10 0 1 -3 20.87 5.97 0 1 -3 17.12 6.47 0 -1 3 1.08 5.89 0 -1 3 17.57 6.64 0 -1 3 16.61 5.61 0 -1 3 29.29 5.08 0 -1 3 21.74 6.66 0 -1 3 17.78 3.71 0 1 -210619.67 696.28 0 1 -210872.86 719.34 0 1 -210115.46 667.32 0 1 -210605.91 704.24 0 -1 210054.69 646.62 0 -1 210497.08 686.66 0 -1 210465.32 693.14 0 -1 210229.60 679.04 0 1 -1 1235.50 55.14 0 1 -1 1235.34 55.08 0 1 -1 1181.41 50.97 0 1 -1 1246.15 55.54 0 -1 1 1211.86 51.97 0 -1 1 1230.10 54.73 0 -1 1 1275.79 57.91 0 -1 1 1143.09 46.25 0 -1 1 1232.78 55.65 0 1 0 44.23 1.48 0 1 0 44.83 2.84 0 1 0 45.23 2.41 0 1 0 43.44 3.18 0 1 0 45.79 3.64 0 -1 0 48.78 1.98 0 -1 0 42.17 2.54 0 -1 0 42.82 3.52 0 -1 0 42.98 3.83 0 -1 0 40.89 2.90 0 1 1 3843.34 202.98 0 1 1 4013.56 213.60 0 1 1 4059.83 214.54 0 -1 -1 3941.48 207.99 0 -1 -1 3819.76 190.02 0 -1 -1 4029.01 208.55 0 -1 -1 3798.79 188.64 0 -1 -1 4022.83 213.03 0 1 2 145.94 9.64 0 1 2 154.60 8.57 0 1 2 159.47 10.39 0 -1 -2 148.61 10.38 0 -1 -2 150.03 8.24 0 -1 -2 146.22 7.01 0 -1 -2 140.31 8.93 0 -1 -2 162.60 7.61 0 1 3 130.84 11.27 0 1 3 133.49 9.82 0 1 3 124.94 11.27 0 -1 -3 128.30 16.61 0 -1 -3 126.04 8.45 0 -1 -3 122.91 10.42 0 -1 -3 122.93 8.93 0 -1 -3 132.62 8.93 0 1 4 1092.51 56.21 0 1 4 1022.27 54.36 0 -1 -4 989.46 51.67 0 -1 -4 1004.55 49.24 0 -1 -4 954.75 46.65 0 -1 -4 1009.27 50.97 0 -1 -4 1012.82 49.11 0 1 5 678.29 36.10 0 1 5 636.36 35.62 0 1 5 642.77 36.42 0 -1 -5 628.32 33.78 0 -1 -5 622.88 36.82 0 -1 -5 632.71 32.10 0 -1 -5 618.77 33.76 0 1 6 275.80 19.93 0 1 6 262.88 18.52 0 1 6 289.08 17.40 0 1 6 272.72 20.24 0 -1 -6 258.30 16.17 0 -1 -6 258.63 16.58 0 -1 -6 271.83 16.10 0 1 7 77.49 10.53 0 1 7 75.90 11.91 0 1 7 70.20 9.51 0 1 7 76.07 7.86 0 -1 -7 67.46 8.42 0 -1 -7 69.49 7.58 0 -1 -7 72.15 7.59 0 1 8 990.62 63.10 0 1 8 846.44 58.97 0 1 8 1006.35 56.47 0 1 8 896.73 56.93 0 -1 -8 834.94 50.39 0 -1 -8 826.52 47.21 0 -1 -8 955.37 53.48 0 1 9 43.84 9.90 0 1 9 45.71 12.46 0 -1 -9 38.17 8.50 0 -1 -9 39.42 5.98 0 1 10 3.59 8.07 0 1 10 3.93 6.03 0 -1 -10 4.48 5.43 0 1 11 155.32 19.80 0 1 11 147.52 24.19 0 -1 -11 110.87 15.52 0 1 12 27.36 10.82 0 1 12 26.58 12.59 0 -1 -12 14.68 6.10 0 1 13 180.37 20.71 0 1 13 175.67 23.81 0 -1 -13 91.36 10.70 0 1 14 274.82 28.73 0 1 14 282.94 23.68 0 2 -14 329.85 25.46 0 -2 14 2107.77 164.49 0 -2 14 2185.48 140.53 0 2 -13 1.00 4.49 0 -2 13 3.85 7.38 0 -2 13 6.43 8.74 0 2 -12 5.09 6.67 0 -2 12 4.68 7.56 0 -2 12 2.77 9.25 0 2 -11 36.04 13.54 0 -2 11 41.23 13.36 0 -2 11 45.13 14.50 0 2 -10 91.34 17.14 0 -2 10 101.12 17.40 0 -2 10 100.94 18.93 0 2 -9 6.75 7.04 0 -2 9 12.44 9.25 0 -2 9 11.00 8.42 0 2 -8 0.16 3.51 0 -2 8 1.79 5.89 0 -2 8 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1755.30 115.83 2 -6 -3 796.37 49.92 2 -6 -3 768.26 50.90 2 -6 -3 641.89 36.04 2 -6 -3 828.35 46.13 -2 6 3 810.40 59.76 -2 6 3 777.76 43.92 2 -6 -2 9.92 5.53 2 -6 -2 6.49 4.43 2 -6 -2 5.14 2.45 2 -6 -2 7.78 4.72 -2 6 2 2.04 5.58 -2 6 2 0.02 5.51 -2 6 2 8.17 4.39 -2 6 2 9.49 34.61 2 -6 -1 613.96 36.60 2 -6 -1 617.75 38.41 2 -6 -1 681.15 37.51 2 -6 -1 555.22 29.16 -2 6 1 727.79 43.59 -2 6 1 674.04 34.77 -2 6 1 444.13 33.68 -2 6 1 461.09 83.46 2 -6 0 64.14 6.21 2 -6 0 79.57 13.80 2 -6 0 73.72 9.55 2 -6 0 86.18 8.42 2 -6 0 70.17 5.17 -2 6 0 87.42 12.33 -2 6 0 81.15 12.07 -2 6 0 4.81 45.82 -2 6 0 80.14 6.73 2 -6 1 1934.60 113.66 2 -6 1 1905.12 109.42 2 -6 1 2038.90 116.75 2 -6 1 1838.89 104.05 2 -6 1 1934.22 101.65 -2 6 -1 2231.82 134.56 -2 6 -1 2171.64 132.80 -2 6 -1 2078.00 114.39 2 -6 2 87.38 10.53 2 -6 2 71.07 10.40 2 -6 2 74.84 8.25 2 -6 2 81.78 7.55 2 -6 2 77.45 8.64 -2 6 -2 71.70 6.19 -2 6 -2 97.04 12.81 -2 6 -2 91.34 11.18 -2 6 -2 -3.15 59.03 -2 6 -2 86.38 7.28 2 -6 3 525.82 34.15 2 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8.66 -2 5 13 46.18 9.58 -2 5 12 76.43 13.08 -2 5 11 491.73 39.08 2 -5 -10 114.90 13.50 -2 5 10 153.83 19.28 2 -5 -9 473.61 35.05 -2 5 9 570.43 43.10 2 -5 -8 8.83 6.22 2 -5 -8 4.37 5.69 -2 5 8 2.17 5.25 2 -5 -7 42.81 8.46 2 -5 -7 45.61 9.95 -2 5 7 32.32 8.52 -2 5 7 25.06 7.78 2 -5 -6 501.80 32.25 2 -5 -6 499.86 35.65 -2 5 6 476.33 31.25 -2 5 6 455.31 31.64 2 -5 -5 967.82 52.02 2 -5 -5 1119.97 64.03 2 -5 -5 1151.11 70.37 -2 5 5 1089.68 63.89 -2 5 5 1011.85 62.09 -2 5 5 1259.33 74.78 -2 5 5 1119.69 68.17 2 -5 -4 505.18 30.34 2 -5 -4 523.07 34.20 2 -5 -4 446.53 23.62 -2 5 4 576.21 40.35 -2 5 4 548.84 35.47 -2 5 4 513.70 30.32 2 -5 -3 2154.79 123.32 2 -5 -3 2379.57 132.23 2 -5 -3 2301.45 137.16 2 -5 -3 1946.79 104.83 -2 5 3 2469.20 147.25 -2 5 3 2240.03 128.61 -2 5 3 2501.59 153.54 2 -5 -2 2145.11 123.41 2 -5 -2 2257.11 133.02 2 -5 -2 2184.15 108.98 2 -5 -2 2371.94 131.49 -2 5 2 2422.68 138.83 -2 5 2 1776.49 114.27 -2 5 2 2333.01 126.28 2 -5 -1 316.03 21.91 2 -5 -1 300.11 20.26 2 -5 -1 326.04 19.71 2 -5 -1 322.13 14.34 -2 5 1 322.20 16.89 -2 5 1 230.68 20.42 -2 5 1 319.45 50.89 -2 5 1 356.64 24.21 2 -5 0 20.63 6.28 2 -5 0 30.57 6.37 2 -5 0 24.54 3.62 2 -5 0 28.23 5.82 -2 5 0 21.63 8.22 -2 5 0 24.07 7.79 -2 5 0 2.41 22.97 -2 5 0 26.54 3.68 2 -5 1 1399.37 80.37 2 -5 1 1487.06 82.54 2 -5 1 1562.23 79.37 2 -5 1 1556.20 82.08 -2 5 -1 1412.02 72.87 -2 5 -1 1547.80 89.10 -2 5 -1 1552.88 79.10 -2 5 -1 1710.11 97.42 2 -5 2 848.97 49.78 2 -5 2 837.01 45.81 2 -5 2 823.29 44.77 2 -5 2 900.87 46.63 2 -5 2 928.94 48.62 -2 5 -2 842.99 44.07 -2 5 -2 943.67 54.09 -2 5 -2 999.09 58.68 -2 5 -2 940.44 47.68 2 -5 3 813.41 44.50 2 -5 3 713.51 38.78 2 -5 3 806.90 42.00 2 -5 3 712.23 41.49 2 -5 3 717.51 43.46 -2 5 -3 793.64 41.40 -2 5 -3 742.60 40.54 -2 5 -3 891.69 53.21 -2 5 -3 792.12 44.99 2 -5 4 4.01 3.24 2 -5 4 -0.20 2.78 2 -5 4 0.06 2.24 2 -5 4 0.96 2.23 2 -5 4 0.61 3.67 -2 5 -4 0.54 4.48 -2 5 -4 2.30 3.00 -2 5 -4 1.76 2.81 -2 5 -4 7.91 21.02 2 -5 5 447.98 31.75 2 -5 5 532.03 31.57 2 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70.75 2 -4 -7 1150.79 72.11 -2 4 7 1199.13 75.96 -2 4 7 1035.05 65.65 -2 4 7 982.83 62.48 2 -4 -6 120.24 12.34 2 -4 -6 121.87 13.27 -2 4 6 141.12 15.19 -2 4 6 124.11 15.74 -2 4 6 107.37 12.31 -2 4 6 120.22 12.92 -2 4 6 132.07 11.81 2 -4 -5 1572.32 88.13 2 -4 -5 1386.33 71.01 2 -4 -5 1378.65 73.69 2 -4 -5 1472.34 75.41 2 -4 -5 1585.43 93.28 -2 4 5 1547.09 92.59 -2 4 5 1767.81 104.17 -2 4 5 1545.09 90.71 -2 4 5 1740.10 99.25 2 -4 -4 1334.23 73.56 2 -4 -4 1276.75 62.85 2 -4 -4 1343.32 77.33 2 -4 -4 1146.99 58.54 -2 4 4 1479.11 85.25 -2 4 4 1358.99 75.51 -2 4 4 1484.56 83.28 -2 4 4 1408.69 81.68 2 -4 -3 53.26 7.49 2 -4 -3 51.02 8.57 2 -4 -3 50.80 5.46 -2 4 3 65.63 11.55 -2 4 3 53.68 8.27 -2 4 3 64.39 9.46 2 -4 -2 3545.71 213.72 2 -4 -2 3726.75 214.41 2 -4 -2 3704.98 202.73 2 -4 -2 3481.67 206.19 -2 4 2 3633.20 217.32 -2 4 2 3859.95 226.22 -2 4 2 2689.43 168.03 -2 4 2 3676.26 204.86 2 -4 -1 1081.33 59.05 2 -4 -1 1063.37 59.19 2 -4 -1 1127.67 58.32 2 -4 -1 1136.44 53.12 -2 4 1 1170.13 65.17 -2 4 1 944.06 56.91 -2 4 1 1178.65 57.29 -2 4 1 1516.87 103.02 2 -4 0 14.38 5.28 2 -4 0 14.04 5.49 2 -4 0 13.23 4.64 2 -4 0 13.79 2.80 -2 4 0 18.41 6.46 -2 4 0 18.69 6.58 -2 4 0 7.24 15.01 -2 4 0 15.66 2.73 2 -4 1 1905.96 107.33 2 -4 1 1961.95 107.56 2 -4 1 2069.57 109.84 2 -4 1 2124.33 109.19 -2 4 -1 1937.48 102.13 -2 4 -1 2148.56 120.78 -2 4 -1 2075.84 105.24 -2 4 -1 2196.82 124.13 2 -4 2 768.46 38.87 2 -4 2 711.06 38.02 2 -4 2 742.66 38.08 2 -4 2 677.81 39.63 -2 4 -2 695.26 36.05 -2 4 -2 783.62 44.95 -2 4 -2 715.93 39.48 -2 4 -2 694.20 33.37 2 -4 3 4163.36 244.64 2 -4 3 4056.54 237.23 2 -4 3 3593.02 221.13 2 -4 3 3985.91 246.77 -2 4 -3 3647.25 216.48 -2 4 -3 3589.92 208.72 -2 4 -3 3891.89 231.58 -2 4 -3 3991.41 229.98 -2 4 -3 4339.08 262.26 2 -4 4 8192.81 569.65 2 -4 4 8129.18 566.28 2 -4 4 9052.13 613.40 2 -4 4 8736.56 590.35 -2 4 -4 8695.73 580.88 -2 4 -4 8023.93 541.77 -2 4 -4 8884.34 603.97 -2 4 -4 7278.24 485.06 2 -4 5 52.35 7.90 2 -4 5 29.93 8.24 2 -4 5 33.12 5.10 2 -4 5 31.35 7.30 -2 4 -5 43.67 11.92 -2 4 -5 27.39 6.59 -2 4 -5 27.36 4.20 -2 4 -5 29.84 3.93 -2 4 -5 1.68 21.23 2 -4 6 124.49 14.01 2 -4 6 124.54 14.22 2 -4 6 158.76 14.83 2 -4 6 136.68 10.41 -2 4 -6 162.11 15.02 -2 4 -6 130.31 13.39 2 -4 7 956.99 62.40 2 -4 7 981.04 65.89 2 -4 7 1045.72 59.64 -2 4 -7 838.75 44.86 -2 4 -7 965.83 58.76 2 -4 8 679.55 50.83 2 -4 8 697.34 48.54 -2 4 -8 676.25 45.75 2 -4 9 1322.11 94.94 2 -4 9 1263.27 86.12 -2 4 -9 1273.41 84.67 2 -4 10 136.60 21.21 2 -4 10 132.94 18.72 -2 4 -10 150.12 20.35 2 -4 11 2.28 7.21 2 -4 11 2.15 6.39 -2 4 -11 134.84 19.22 2 -4 12 10.76 10.06 2 -4 12 12.37 8.56 -2 4 -12 25.13 10.10 2 -4 13 7.97 6.85 2 -4 13 7.94 8.85 -2 4 -13 8.03 6.98 2 -4 14 29.54 10.32 2 -4 14 32.24 7.16 -2 4 -14 72.49 12.65 -2 3 13 102.73 13.34 -2 3 13 45.15 8.75 -2 3 12 7.44 6.06 -2 3 12 16.58 8.45 -2 3 11 11.68 9.23 -2 3 11 10.69 6.76 -2 3 10 320.39 37.69 -2 3 10 265.86 25.61 2 -3 -9 233.07 18.12 -2 3 9 306.58 26.98 -2 3 9 241.99 23.07 2 -3 -8 36.75 7.24 -2 3 8 43.03 10.47 -2 3 8 36.56 8.64 2 -3 -7 24.37 4.46 2 -3 -7 14.76 5.15 2 -3 -7 18.79 6.46 2 -3 -7 22.42 5.90 -2 3 7 22.08 6.05 -2 3 7 20.20 5.08 -2 3 7 18.29 5.96 -2 3 7 15.52 7.66 2 -3 -6 755.94 40.45 2 -3 -6 737.36 42.55 2 -3 -6 661.77 36.22 2 -3 -6 702.05 42.48 -2 3 6 805.55 48.50 -2 3 6 732.81 43.10 -2 3 6 675.33 42.05 -2 3 6 707.96 43.98 -2 3 6 781.75 43.93 2 -3 -5 23.77 3.87 2 -3 -5 25.39 5.89 2 -3 -5 22.20 3.53 2 -3 -5 -1.83 21.80 2 -3 -5 22.24 6.29 -2 3 5 21.67 4.72 -2 3 5 23.18 5.74 -2 3 5 30.92 5.25 -2 3 5 25.53 6.96 -2 3 5 25.91 10.26 2 -3 -4 2111.18 112.28 2 -3 -4 2022.05 113.16 2 -3 -4 2068.03 118.85 -2 3 4 1947.43 107.84 -2 3 4 2212.83 121.87 -2 3 4 2176.77 123.50 -2 3 4 2098.62 120.05 -2 3 4 1952.80 104.03 2 -3 -3 35.35 6.41 2 -3 -3 36.05 6.65 2 -3 -3 36.67 5.89 2 -3 -3 -0.65 10.19 -2 3 3 33.62 6.77 -2 3 3 43.79 6.29 -2 3 3 35.11 4.05 -2 3 3 35.35 7.51 -2 3 3 37.94 7.63 2 -3 -2 387.06 18.55 2 -3 -2 391.92 23.72 2 -3 -2 371.54 21.99 -2 3 2 392.23 24.29 -2 3 2 374.58 18.03 -2 3 2 421.56 26.47 2 -3 -1 1191.29 63.12 2 -3 -1 1212.61 64.75 2 -3 -1 1229.53 62.22 2 -3 -1 1263.61 60.50 -2 3 1 1230.14 68.28 -2 3 1 1274.11 68.41 -2 3 1 1238.54 57.67 2 -3 0 9720.96 636.72 2 -3 0 9280.56 622.25 2 -3 0 8811.05 593.07 2 -3 0 9620.87 637.69 -2 3 0 9428.87 633.52 -2 3 010002.07 688.67 -2 3 0 9886.38 681.30 -2 3 013736.40 978.17 -2 3 0 9374.40 611.93 2 -3 1 69.46 6.24 2 -3 1 59.58 7.61 2 -3 1 63.87 7.16 2 -3 1 59.26 8.10 -2 3 -1 68.56 8.14 -2 3 -1 64.91 6.48 -2 3 -1 50.06 16.02 -2 3 -1 70.46 4.30 -2 3 -1 67.36 9.39 2 -3 2 445.15 23.18 2 -3 2 413.43 22.09 2 -3 2 392.61 23.66 -2 3 -2 440.32 23.65 -2 3 -2 407.46 22.22 -2 3 -2 427.52 19.49 -2 3 -2 393.06 20.83 -2 3 -2 442.14 26.24 2 -3 3 3665.93 214.62 2 -3 3 4078.59 234.21 2 -3 3 3598.89 216.20 2 -3 3 3771.51 216.82 -2 3 -3 3985.60 235.18 -2 3 -3 3536.40 206.57 -2 3 -3 3858.59 219.96 -2 3 -3 3521.13 201.58 2 -3 4 3558.91 205.07 2 -3 4 3015.98 181.47 2 -3 4 3056.70 180.23 2 -3 4 3394.81 193.37 -2 3 -4 3032.44 177.01 -2 3 -4 3422.81 199.12 -2 3 -4 3212.33 177.53 -2 3 -4 2918.57 165.09 2 -3 5 621.99 44.74 2 -3 5 641.09 38.15 2 -3 5 687.61 37.18 2 -3 5 750.73 44.01 -2 3 -5 589.77 31.01 -2 3 -5 610.80 35.88 -2 3 -5 620.66 28.98 -2 3 -5 705.82 39.83 -2 3 -5 714.58 49.21 2 -3 6 2489.97 154.03 2 -3 6 2376.67 147.65 2 -3 6 3022.89 174.85 2 -3 6 2630.02 152.72 -2 3 -6 2438.13 145.87 -2 3 -6 2894.06 168.60 -2 3 -6 2293.01 130.17 2 -3 7 874.53 52.21 2 -3 7 662.34 44.59 2 -3 7 735.30 48.53 2 -3 7 746.17 43.33 -2 3 -7 630.14 34.24 -2 3 -7 687.46 42.26 2 -3 8 10.01 7.75 2 -3 8 21.97 7.35 2 -3 8 12.16 4.74 -2 3 -8 13.33 7.08 -2 3 -8 12.85 3.57 2 -3 9 255.75 24.08 2 -3 9 261.63 26.38 -2 3 -9 250.58 23.26 2 -3 10 384.78 33.25 2 -3 10 389.10 36.65 -2 3 -10 371.70 32.27 2 -3 11 636.29 55.28 2 -3 11 594.75 46.21 -2 3 -11 1025.75 74.59 2 -3 12 703.27 58.98 2 -3 12 686.90 51.38 -2 3 -12 1311.75 106.31 2 -3 13 34.27 13.38 2 -3 13 35.04 9.95 -2 3 -13 29.70 9.77 2 -3 14 210.28 24.59 2 -3 14 204.71 17.04 -2 3 -14 227.02 22.92 -2 2 14 325.28 24.51 -2 2 13 1.79 4.64 -2 2 13 -0.15 3.24 -2 2 12 928.42 76.09 -2 2 12 1450.52 94.76 -2 2 11 30.23 11.34 -2 2 11 19.51 8.79 2 -2 -10 1087.59 76.42 -2 2 10 1471.06 100.31 -2 2 10 1272.47 90.29 2 -2 -9 71.73 13.58 -2 2 9 73.11 13.07 -2 2 9 88.93 14.41 2 -2 -8 30.22 5.68 2 -2 -8 36.66 7.52 -2 2 8 42.72 9.02 -2 2 8 37.66 10.49 2 -2 -7 0.70 2.72 2 -2 -7 1.04 2.81 2 -2 -7 2.82 3.10 2 -2 -7 0.85 15.75 -2 2 7 -0.22 4.69 -2 2 7 1.05 2.34 -2 2 7 1.86 3.75 -2 2 7 2.85 3.23 -2 2 7 2.45 3.12 2 -2 -6 388.37 22.29 2 -2 -6 415.86 23.75 2 -2 -6 394.43 24.10 2 -2 -6 414.24 25.36 -2 2 6 467.88 30.38 -2 2 6 432.28 24.52 -2 2 6 439.32 28.30 -2 2 6 500.94 36.59 -2 2 6 418.96 25.70 2 -2 -5 14.85 3.85 2 -2 -5 14.74 4.92 2 -2 -5 14.85 3.66 2 -2 -5 8.13 16.11 2 -2 -5 13.00 4.63 -2 2 5 17.88 6.27 -2 2 5 11.15 5.26 -2 2 5 13.16 3.81 -2 2 5 13.05 4.78 -2 2 5 22.05 4.11 2 -2 -4 28.89 4.52 2 -2 -4 28.85 5.50 2 -2 -4 24.35 5.65 2 -2 -4 0.62 14.80 -2 2 4 36.00 6.95 -2 2 4 26.02 4.73 -2 2 4 36.78 4.89 -2 2 4 30.57 6.81 -2 2 4 25.80 4.65 -2 2 4 29.00 4.38 2 -2 -3 423.55 21.88 2 -2 -3 400.24 22.69 2 -2 -3 406.95 23.13 -2 2 3 409.87 24.11 -2 2 3 419.48 24.93 -2 2 3 438.46 22.69 -2 2 3 390.15 20.31 -2 2 3 393.89 18.97 -2 2 3 392.28 19.01 2 -2 -2 876.70 45.51 2 -2 -2 962.76 47.30 2 -2 -2 1045.39 52.52 -2 2 2 899.74 40.69 -2 2 2 883.53 46.40 -2 2 2 947.60 50.73 -2 2 2 882.01 43.01 2 -2 -1 2937.84 161.06 2 -2 -1 2912.71 155.09 2 -2 -1 2710.57 148.32 -2 2 1 2893.27 159.11 -2 2 1 2693.32 133.86 -2 2 1 2747.79 147.12 -2 2 1 3047.78 169.35 2 -2 0 26.13 5.38 2 -2 0 29.53 5.85 2 -2 0 29.71 5.35 2 -2 0 33.13 5.04 -2 2 0 29.08 5.12 -2 2 0 33.84 6.68 -2 2 0 29.18 5.91 -2 2 0 28.20 1.20 2 -2 1 851.46 43.92 2 -2 1 953.48 47.07 2 -2 1 978.94 47.81 -2 2 -1 910.75 45.24 -2 2 -1 865.39 42.50 -2 2 -1 877.16 44.88 -2 2 -1 971.67 49.40 2 -2 2 3200.93 174.38 2 -2 2 3054.45 167.29 2 -2 2 2796.35 156.13 -2 2 -2 2907.02 156.41 -2 2 -2 3013.01 164.55 -2 2 -2 3014.15 160.40 -2 2 -2 2418.56 131.39 -2 2 -2 3195.42 174.59 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77.90 10.24 4 -7 6 99.41 14.47 4 -7 6 90.11 11.93 -4 7 -6 96.70 12.34 4 -7 7 686.13 47.51 4 -7 7 798.49 54.65 -4 7 -7 774.24 53.18 4 -7 8 14.59 8.04 -4 7 -8 16.93 7.57 4 -7 9 156.39 17.88 -4 7 -9 147.15 17.03 4 -7 10 17.43 7.67 -4 7 -10 15.15 7.55 4 -7 11 20.07 6.94 -4 7 -11 16.20 7.05 4 -7 12 -0.43 2.61 -4 7 -12 2.33 4.09 -4 6 11 108.93 13.73 -4 6 10 441.60 33.55 4 -6 -9 136.28 14.79 -4 6 9 269.09 25.98 4 -6 -8 355.99 27.10 4 -6 -8 276.03 25.19 -4 6 8 231.96 25.33 4 -6 -7 473.04 34.57 4 -6 -7 432.25 42.38 -4 6 7 436.32 39.66 4 -6 -6 16.49 12.94 4 -6 -6 23.35 9.19 -4 6 6 15.35 9.56 4 -6 -5 230.65 22.93 4 -6 -5 251.27 21.81 -4 6 5 245.63 28.02 4 -6 -4 129.25 16.86 4 -6 -4 122.67 14.76 -4 6 4 130.06 31.41 4 -6 -3 2642.24 183.47 4 -6 -3 2569.17 161.59 -4 6 3 2461.26 168.81 4 -6 -2 12.09 6.93 4 -6 -2 4.92 5.65 -4 6 2 1.92 6.55 4 -6 -1 765.18 51.08 4 -6 -1 734.56 46.41 -4 6 1 737.51 53.16 4 -6 0 221.67 19.64 4 -6 0 213.89 17.81 -4 6 0 182.85 12.42 -4 6 0 212.62 21.04 4 -6 1 134.38 14.78 4 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8.92 -4 5 7 5.75 7.51 4 -5 -6 950.49 60.41 4 -5 -6 894.92 61.83 -4 5 6 901.69 67.20 4 -5 -5 1991.84 130.61 4 -5 -5 2088.72 129.82 -4 5 5 2031.37 141.01 4 -5 -4 1.77 6.41 4 -5 -4 13.74 5.70 -4 5 4 0.11 4.05 4 -5 -3 1997.16 126.16 4 -5 -3 2012.15 121.70 -4 5 3 1952.05 128.95 4 -5 -2 413.30 29.77 4 -5 -2 386.72 21.72 4 -5 -2 393.25 26.24 -4 5 2 377.67 31.05 -4 5 2 353.05 19.90 4 -5 -1 5.85 3.99 4 -5 -1 1.38 3.87 4 -5 -1 3.50 4.63 4 -5 -1 -0.36 4.10 -4 5 1 0.63 3.77 -4 5 1 0.97 3.41 -4 5 1 -0.80 3.97 -4 5 1 0.09 1.65 4 -5 0 514.93 32.20 4 -5 0 566.24 31.52 4 -5 0 542.39 36.22 4 -5 0 594.85 35.76 -4 5 0 496.79 28.47 -4 5 0 599.24 38.52 -4 5 0 578.25 39.69 -4 5 0 524.41 37.29 4 -5 1 2.10 4.93 4 -5 1 5.29 4.25 4 -5 1 3.90 3.23 4 -5 1 3.26 4.44 -4 5 -1 7.17 3.31 -4 5 -1 2.38 5.18 -4 5 -1 2.96 5.24 -4 5 -1 1.22 5.12 4 -5 2 685.84 42.37 4 -5 2 598.71 38.44 4 -5 2 723.40 43.14 4 -5 2 596.15 36.92 -4 5 -2 616.14 36.40 -4 5 -2 659.73 41.85 -4 5 -2 733.72 44.95 -4 5 -2 584.94 38.49 4 -5 3 108.26 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319.33 23.77 4 -4 3 314.04 21.73 -4 4 -3 268.18 18.20 -4 4 -3 264.15 18.58 -4 4 -3 318.78 21.36 -4 4 -3 288.03 19.11 -4 4 -3 246.85 17.30 4 -4 4 0.30 1.97 4 -4 4 0.34 3.18 4 -4 4 -0.87 2.62 -4 4 -4 1.16 3.69 -4 4 -4 1.13 3.50 -4 4 -4 1.48 2.51 -4 4 -4 2.11 3.39 -4 4 -4 2.71 2.26 4 -4 5 303.61 29.48 4 -4 5 243.92 18.80 4 -4 5 294.36 21.97 -4 4 -5 250.15 19.78 -4 4 -5 285.80 20.17 -4 4 -5 242.77 17.42 4 -4 6 966.08 59.20 -4 4 -6 995.50 62.32 -4 4 -6 929.21 54.76 4 -4 7 2.14 4.14 -4 4 -7 1.00 7.54 -4 4 -7 23.14 5.73 4 -4 8 847.64 55.17 -4 4 -8 910.81 61.72 -4 4 -8 874.99 53.09 4 -4 9 204.67 19.02 -4 4 -9 220.87 22.99 -4 4 -9 201.49 16.14 4 -4 10 68.97 11.16 -4 4 -10 75.39 14.30 -4 4 -10 56.94 7.95 4 -4 11 198.68 22.88 4 -4 11 306.95 23.46 -4 4 -11 333.59 30.13 4 -4 12 95.73 11.11 4 -4 12 62.13 12.85 -4 4 -12 111.36 15.77 -4 4 -13 689.25 47.97 -4 4 -14 79.28 10.32 -4 3 12 7.20 6.62 -4 3 11 4.91 6.90 -4 3 10 1377.10 94.72 -4 3 9 36.10 11.81 -4 3 8 69.55 13.38 -4 3 8 45.52 11.96 4 -3 -7 40.32 9.71 4 -3 -7 64.98 10.40 -4 3 7 56.23 12.54 4 -3 -6 273.40 20.87 4 -3 -6 246.61 17.42 4 -3 -6 245.45 19.31 -4 3 6 275.40 26.49 4 -3 -5 16.45 5.34 4 -3 -5 15.32 5.68 -4 3 5 11.17 12.30 -4 3 5 12.95 4.51 4 -3 -4 448.65 29.19 4 -3 -4 474.29 28.31 4 -3 -4 450.61 28.21 -4 3 4 489.62 32.17 -4 3 4 449.10 34.45 -4 3 4 424.25 25.91 4 -3 -3 221.54 15.51 4 -3 -3 238.24 17.34 4 -3 -3 232.91 19.39 4 -3 -3 3.71 40.98 -4 3 3 241.43 23.42 -4 3 3 232.58 21.24 -4 3 3 210.74 14.46 4 -3 -2 1469.84 82.93 4 -3 -2 1513.23 87.26 4 -3 -2 1627.36 89.96 -4 3 2 1535.28 96.28 -4 3 2 1629.53 93.47 -4 3 2 1466.01 81.87 4 -3 -1 811.63 49.62 4 -3 -1 834.74 48.32 4 -3 -1 899.70 48.98 -4 3 1 850.23 47.83 -4 3 1 755.51 47.64 -4 3 1 790.38 43.46 4 -3 0 425.26 24.32 4 -3 0 440.63 27.07 4 -3 0 482.92 27.14 -4 3 0 427.95 25.29 -4 3 0 492.26 28.68 -4 3 0 416.02 28.06 4 -3 1 2669.80 157.55 4 -3 1 2437.63 141.99 4 -3 1 2928.28 168.75 4 -3 1 2870.53 165.02 -4 3 -1 2581.36 149.84 -4 3 -1 2793.35 165.70 -4 3 -1 2285.07 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10.96 10.44 -8 0 6 5.73 8.96 8 0 -5 180.89 17.66 -8 0 5 168.37 24.99 8 0 -4 738.69 50.33 -8 0 4 630.14 60.53 -8 0 3 122.73 19.82 -8 0 3 24.26 12.23 -8 0 2 247.46 32.87 -8 0 2 271.30 26.44 -8 0 1 118.82 19.17 -8 0 1 47.02 13.11 -8 0 0 67.17 14.60 -8 0 0 20.38 10.84 -8 0 -1 536.96 31.22 -8 0 -1 27.46 13.97 8 0 2 50.06 14.05 -8 0 -2 113.12 16.22 -8 0 -2 79.55 15.04 8 0 3 149.52 14.94 -8 0 -3 174.98 20.15 8 0 4 484.09 35.50 -8 0 -4 439.91 35.22 8 0 5 23.92 8.30 -8 0 -5 23.75 16.07 -8 0 -6 108.45 15.75 -8 0 -6 93.80 11.94 -8 0 -7 301.41 26.41 -8 0 -7 285.98 23.00 -8 0 -8 1.12 5.58 -8 0 -8 4.50 4.79 -8 0 -9 2.87 4.40 -8 0 -9 -0.18 4.09 -8 0 -10 26.77 7.49 -8 0 -10 27.99 7.38 -8 0 -11 0.99 3.29 -8 0 -11 1.90 3.51 8 1 -7 4.57 7.99 -8 -1 7 0.54 4.51 8 1 -6 3.90 8.40 -8 -1 6 46.33 15.49 8 1 -5 346.44 27.30 -8 -1 5 359.14 38.11 8 1 -4 27.71 9.20 -8 -1 4 317.24 36.73 -8 -1 3 107.11 22.32 -8 -1 3 111.63 17.78 -8 -1 2 90.71 17.17 -8 -1 2 5.53 11.56 -8 -1 1 126.18 22.05 -8 -1 1 128.60 17.48 -8 -1 0 68.97 16.68 -8 -1 0 82.77 14.38 -8 -1 -1 715.90 58.12 -8 -1 -1 897.43 60.55 -8 -1 -2 156.06 20.45 -8 -1 -2 220.05 21.56 8 1 3 270.47 20.80 -8 -1 -3 324.24 28.31 8 1 4 248.92 20.57 -8 -1 -4 271.09 24.89 -8 -1 -5 466.84 32.12 -8 -1 -5 516.43 38.06 -8 -1 -6 72.31 18.93 -8 -1 -6 62.55 9.56 -8 -1 -7 343.45 27.85 -8 -1 -7 327.02 24.61 -8 -1 -8 40.67 9.68 -8 -1 -8 46.20 8.99 -8 -1 -9 292.65 23.36 -8 -1 -9 308.14 23.28 -8 -1 -10 97.43 11.55 -8 -1 -10 118.53 12.57 -8 -1 -11 2.39 3.62 -8 -1 -11 0.01 4.29 8 2 -7 3021.48 197.06 -8 -2 7 2744.03 184.19 8 2 -6 1310.66 87.13 -8 -2 6 1205.31 86.07 8 2 -5 478.10 33.93 -8 -2 5 419.57 41.33 8 2 -4 182.65 19.22 -8 -2 4 160.46 24.45 -8 -2 3 168.52 25.14 -8 -2 3 170.55 21.23 -8 -2 2 32.83 14.23 -8 -2 2 30.32 11.66 -8 -2 1 12.98 11.91 -8 -2 1 20.34 10.04 -8 -2 0 1.91 14.24 -8 -2 0 9.89 7.68 -8 -2 -1 330.31 32.52 -8 -2 -1 400.82 31.99 -8 -2 -2 42.09 11.45 -8 -2 -2 65.24 12.10 -8 -2 -3 46.41 11.16 8 2 4 191.91 16.39 -8 -2 -4 250.99 23.19 -8 -2 -5 1166.49 72.90 -8 -2 -5 1297.60 82.85 -8 -2 -6 55.04 8.62 -8 -2 -6 61.25 10.97 -8 -2 -7 461.41 31.60 -8 -2 -7 458.60 33.00 -8 -2 -8 32.71 7.49 -8 -2 -8 28.23 11.69 -8 -2 -9 110.75 10.67 -8 -2 -9 27.43 7.88 -8 -2 -10 16.33 5.02 -8 -2 -10 -0.01 3.93 -8 -2 -11 158.21 11.66 -8 -2 -11 54.27 7.00 8 3 -7 383.33 31.46 -8 -3 7 331.68 28.96 8 3 -6 2.32 6.32 -8 -3 6 3.36 10.79 8 3 -5 394.27 29.47 -8 -3 5 368.11 35.83 8 3 -4 14.74 7.74 -8 -3 4 17.83 11.84 8 3 -3 3.27 5.54 -8 -3 3 -0.50 6.38 -8 -3 2 52.07 15.98 -8 -3 2 54.04 13.51 -8 -3 1 101.75 19.31 -8 -3 1 109.40 17.08 -8 -3 0 208.58 25.30 -8 -3 0 238.22 31.42 -8 -3 -1 20.57 9.97 -8 -3 -1 24.43 9.02 -8 -3 -2 371.85 33.90 -8 -3 -2 494.11 35.24 -8 -3 -3 295.12 24.59 -8 -3 -4 345.53 26.84 -8 -3 -5 0.41 2.47 -8 -3 -5 1.09 3.69 -8 -3 -6 23.73 5.90 -8 -3 -6 30.29 7.52 -8 -3 -7 121.99 12.21 -8 -3 -7 120.07 12.83 -8 -3 -8 27.40 6.58 -8 -3 -8 21.95 6.24 -8 -3 -9 314.87 21.30 -8 -3 -9 192.10 16.78 -8 -3 -10 0.67 3.17 -8 -3 -11 6.02 4.30 8 4 -6 0.39 4.04 -8 -4 6 1.98 5.80 8 4 -5 2.71 5.56 -8 -4 5 1.34 6.53 8 4 -4 27.86 8.11 -8 -4 4 32.51 12.89 8 4 -3 146.45 16.04 -8 -4 3 144.36 22.71 8 4 -2 1.03 4.30 -8 -4 2 43.07 14.86 -8 -4 1 35.43 12.93 -8 -4 1 29.11 10.43 -8 -4 0 128.49 19.94 -8 -4 0 135.26 17.29 -8 -4 -1 13.60 8.85 -8 -4 -1 13.89 11.70 -8 -4 -2 213.64 22.92 -8 -4 -2 273.22 22.06 -8 -4 -3 41.52 8.97 -8 -4 -4 96.64 11.88 -8 -4 -5 0.72 3.31 -8 -4 -6 140.94 12.48 -8 -4 -6 153.67 14.01 -8 -4 -7 37.67 6.81 -8 -4 -8 516.88 33.48 -8 -4 -9 218.98 16.73 -8 -4 -10 99.95 10.31 -8 -4 -11 65.74 7.83 8 5 -6 26.60 7.59 -8 -5 6 27.68 9.57 8 5 -5 175.34 16.51 -8 -5 5 164.08 21.01 8 5 -4 38.93 8.87 -8 -5 4 69.58 16.33 8 5 -3 208.02 18.61 -8 -5 3 202.12 26.04 8 5 -2 3.17 4.56 -8 -5 2 1.26 6.97 8 5 -1 1.16 3.85 -8 -5 1 29.60 12.76 -8 -5 0 98.59 17.46 -8 -5 0 96.13 13.37 -8 -5 -1 47.39 12.60 -8 -5 -1 50.91 10.08 -8 -5 -2 105.65 15.67 -8 -5 -2 128.90 14.15 -8 -5 -3 202.29 17.19 -8 -5 -4 989.27 61.09 -8 -5 -7 488.90 30.19 -8 -5 -8 306.95 21.49 -8 -5 -9 413.29 26.56 -8 -5 -10 44.13 6.48 -8 -5 -11 499.01 28.83 8 6 -5 170.86 14.07 -8 -6 5 180.19 20.46 8 6 -4 38.79 7.43 -8 -6 4 40.88 13.17 8 6 -3 -0.05 2.29 -8 -6 3 7.51 9.26 8 6 -2 15.40 5.62 -8 -6 2 20.66 11.60 8 6 -1 142.61 13.35 -8 -6 1 154.19 21.87 8 6 0 17.28 5.61 -8 -6 0 25.57 11.29 -8 -6 -1 219.25 23.23 -8 -6 -1 189.82 17.08 -8 -6 -2 11.05 7.18 -8 -6 -8 6.20 3.15 -8 -6 -9 339.98 22.77 -8 -6 -10 109.24 9.08 -8 -7 4 37.49 27.04 -8 -7 3 135.96 40.84 -8 -7 2 227.49 62.53 -8 -7 1 269.91 63.66 -8 -7 0 144.23 44.38 -8 -7 -1 16.65 18.05 -8 -7 -2 219.28 31.86 -8 -8 3 0.41 11.03 -8 -8 2 214.73 44.97 -8 -8 1 7.13 18.44 -8 -8 0 119.21 33.80 -8 -8 -1 42.79 21.29 -8 -8 -2 71.19 19.94 -8 -9 2 456.83 134.83 -8 -9 1 11.08 17.87 -8 -9 0 247.01 89.90 -8 -9 -1 252.90 62.27 -8 -9 -2 801.95 93.12 -8 -10 0 6.21 23.80 -8 -10 -1 271.30 56.47 -9 6 1 52.76 11.00 -9 6 0 11.14 5.72 9 -6 1 167.32 15.64 9 -6 2 3.53 7.24 9 -6 3 403.17 29.15 9 -6 4 207.80 18.44 9 -6 5 35.18 8.26 -9 5 2 75.78 13.99 -9 5 1 45.96 11.16 -9 5 0 29.68 8.97 9 -5 1 44.98 12.75 -9 5 -1 8.13 5.14 9 -5 2 451.88 32.87 -9 5 -2 413.11 26.73 9 -5 3 2.52 4.74 -9 5 -3 0.07 2.16 9 -5 4 117.47 14.20 -9 5 -4 97.70 10.93 9 -5 5 19.35 12.37 -9 5 -5 23.82 6.44 -9 5 -6 1.51 3.38 9 -5 7 245.82 20.28 -9 5 -7 216.94 16.75 -9 4 3 13.62 8.22 9 -4 -2 134.44 12.38 -9 4 2 173.21 21.63 -9 4 1 117.60 18.96 -9 4 1 155.17 13.21 -9 4 0 296.08 40.26 -9 4 0 678.81 39.06 9 -4 1 3.67 4.21 -9 4 -1 -0.34 1.85 -9 4 -1 0.30 1.74 9 -4 2 28.94 7.76 -9 4 -2 34.25 7.93 9 -4 3 1.01 4.09 -9 4 -3 0.76 3.69 9 -4 4 66.56 11.30 -9 4 -4 66.79 10.53 9 -4 5 50.59 10.41 -9 4 -5 42.14 9.12 9 -4 6 428.20 32.71 -9 4 -6 2.47 4.51 9 -4 7 745.74 50.06 -9 4 -7 601.15 39.04 9 -4 8 182.40 19.01 -9 4 -8 17.22 6.11 -9 3 4 53.57 12.29 9 -3 -3 437.62 28.67 -9 3 3 477.49 41.99 -9 3 2 94.56 17.37 -9 3 2 113.00 11.96 -9 3 1 160.62 21.77 -9 3 1 215.82 18.04 -9 3 0 1.50 5.64 -9 3 0 4.79 7.65 9 -3 1 57.08 9.07 -9 3 -1 23.82 10.72 -9 3 -1 86.20 11.09 9 -3 2 316.83 25.29 -9 3 -2 364.35 28.46 9 -3 3 20.70 7.42 -9 3 -3 19.49 12.73 9 -3 4 130.86 14.92 -9 3 -4 133.83 15.52 9 -3 5 79.41 12.84 -9 3 -5 1.36 4.58 9 -3 6 116.34 14.42 -9 3 -6 113.56 14.29 9 -3 7 565.68 39.10 -9 3 -7 536.20 36.67 9 -3 8 431.41 32.00 -9 3 -8 223.90 18.87 9 -2 -4 115.70 10.98 -9 2 4 115.66 17.24 9 -2 -3 35.74 7.74 -9 2 3 35.37 12.13 -9 2 2 -1.89 4.60 -9 2 2 0.62 3.41 -9 2 1 151.78 21.95 -9 2 1 199.78 19.01 -9 2 0 304.80 31.89 -9 2 0 484.28 33.33 -9 2 -1 137.48 19.82 -9 2 -1 289.16 22.71 9 -2 2 452.57 34.36 -9 2 -2 610.95 43.35 9 -2 3 1.50 4.19 -9 2 -3 0.53 6.82 9 -2 4 56.46 10.39 -9 2 -4 4.42 6.29 9 -2 5 30.14 8.82 -9 2 -5 32.07 9.78 9 -2 6 138.08 22.53 -9 2 -6 134.43 16.41 9 -2 7 169.35 16.65 -9 2 -7 167.94 17.56 9 -2 8 172.29 16.09 -9 2 -8 160.32 15.95 9 -2 9 718.61 44.06 -9 2 -9 685.90 42.33 9 -1 -5 145.46 17.83 -9 1 5 163.96 20.42 9 -1 -4 8.26 5.27 -9 1 4 6.84 13.57 9 -1 -3 442.19 31.26 -9 1 3 403.72 37.19 -9 1 2 3.06 7.39 -9 1 2 4.42 5.86 -9 1 1 461.61 41.31 -9 1 1 579.41 41.23 -9 1 0 1.96 7.31 -9 1 0 10.65 6.82 -9 1 -1 87.44 15.99 -9 1 -1 175.05 17.66 -9 1 -2 39.51 10.96 9 -1 3 450.38 31.27 -9 1 -3 17.54 13.99 9 -1 4 483.04 34.84 -9 1 -4 550.33 41.05 9 -1 5 1193.86 75.80 -9 1 -5 1325.51 86.50 9 -1 6 513.75 35.70 -9 1 -6 523.19 38.17 9 -1 7 250.32 20.94 -9 1 -7 239.36 21.74 9 -1 8 50.83 9.22 -9 1 -8 51.78 9.74 9 -1 9 9.46 5.53 -9 1 -9 7.13 5.18 9 0 -5 337.61 30.22 -9 0 5 322.98 29.67 9 0 -4 412.37 28.63 -9 0 4 368.94 35.29 9 0 -3 95.36 12.71 -9 0 3 91.58 18.21 -9 0 2 39.99 13.14 -9 0 2 46.13 11.35 -9 0 1 -3.79 5.04 -9 0 1 3.35 4.38 -9 0 0 8.45 8.08 -9 0 0 14.52 12.73 -9 0 -1 191.33 32.46 -9 0 -1 227.47 21.85 -9 0 -2 74.68 13.45 -9 0 -3 465.41 35.58 9 0 4 1628.60 107.75 -9 0 -4 1918.77 125.03 9 0 5 57.88 9.09 -9 0 -5 61.69 12.62 9 0 6 565.79 38.34 -9 0 -6 583.78 41.30 9 0 7 479.65 33.36 -9 0 -7 460.28 33.07 9 0 8 506.64 34.27 -9 0 -8 465.99 31.98 9 0 9 219.75 17.84 -9 0 -9 194.21 15.95 9 0 10 128.16 11.90 -9 0 -10 107.06 9.87 9 1 -5 0.84 5.97 -9 -1 5 164.84 21.34 9 1 -4 2.88 4.71 -9 -1 4 233.64 29.18 9 1 -3 53.31 10.26 -9 -1 3 65.52 17.24 -9 -1 2 68.89 16.21 -9 -1 2 77.40 13.91 -9 -1 1 58.29 15.21 -9 -1 1 79.01 14.13 -9 -1 0 51.70 14.31 -9 -1 0 80.61 14.59 -9 -1 -1 245.23 26.99 -9 -1 -1 370.39 28.96 -9 -1 -2 98.39 14.67 -9 -1 -3 64.22 12.37 -9 -1 -4 43.03 16.51 9 1 5 67.95 9.14 -9 -1 -5 76.43 12.65 9 1 6 189.62 16.61 -9 -1 -6 213.36 19.69 9 1 7 21.23 6.65 -9 -1 -7 21.97 7.34 9 1 8 68.86 10.05 -9 -1 -8 68.29 9.72 9 1 9 6.13 4.83 -9 -1 -9 0.44 2.67 9 1 10 2.25 3.55 -9 -1 -10 0.65 1.75 9 2 -5 2.85 6.97 -9 -2 5 2.57 9.16 9 2 -4 388.21 26.93 -9 -2 4 343.58 32.18 9 2 -3 85.61 12.20 -9 -2 3 69.39 15.43 9 2 -2 -1.96 4.74 -9 -2 2 70.24 15.60 -9 -2 1 6.83 9.16 -9 -2 1 16.37 8.49 -9 -2 0 28.64 11.76 -9 -2 0 51.55 11.98 -9 -2 -1 0.94 8.34 -9 -2 -1 28.41 8.04 -9 -2 -2 0.45 4.09 -9 -2 -3 130.92 15.64 -9 -2 -4 10.78 6.79 -9 -2 -5 137.21 21.26 9 2 6 10.54 4.78 -9 -2 -6 21.47 7.12 9 2 7 7.25 4.55 -9 -2 -7 7.08 5.08 9 2 8 421.42 28.40 -9 -2 -8 368.83 24.92 9 2 9 141.43 12.78 -9 -2 -9 100.55 9.52 9 2 10 227.62 16.40 9 3 -4 284.57 30.13 -9 -3 4 257.14 24.97 9 3 -3 0.20 3.01 -9 -3 3 1.42 5.82 9 3 -2 5.41 5.38 -9 -3 2 4.72 7.43 -9 -3 1 84.76 15.82 -9 -3 1 95.30 14.69 -9 -3 0 589.12 47.44 -9 -3 0 690.93 48.26 -9 -3 -1 281.63 35.44 -9 -3 -1 371.98 29.84 -9 -3 -2 4.86 5.59 -9 -3 -3 330.87 25.60 -9 -3 -4 156.29 15.65 -9 -3 -5 72.10 10.31 -9 -3 -6 103.79 11.33 9 3 7 426.32 28.91 -9 -3 -7 442.39 29.15 9 3 8 287.02 20.20 -9 -3 -8 217.25 16.35 9 3 9 143.11 11.93 9 4 -4 13.39 6.75 -9 -4 4 5.69 6.91 9 4 -3 55.10 8.72 -9 -4 3 53.72 12.96 9 4 -2 470.01 31.51 -9 -4 2 415.49 35.73 9 4 -1 218.69 18.85 -9 -4 1 186.79 21.76 -9 -4 0 94.97 15.49 -9 -4 0 104.74 14.20 -9 -4 -1 276.75 26.98 -9 -4 -1 365.09 27.78 -9 -4 -2 14.46 7.11 -9 -4 -3 220.66 24.74 -9 -4 -4 167.72 14.84 -9 -4 -5 126.70 12.09 -9 -4 -6 0.11 1.92 -9 -4 -7 25.52 4.76 9 5 -3 21.13 6.12 -9 -5 3 12.11 8.47 9 5 -2 34.89 6.53 -9 -5 2 39.19 11.47 9 5 -1 0.82 2.89 -9 -5 1 -1.91 5.65 9 5 0 77.53 9.44 -9 -5 0 166.20 19.29 -9 -5 -1 49.19 10.58 -9 -5 -1 55.52 9.33 -9 -5 -2 383.64 26.07 -9 -5 -3 0.12 2.37 -9 -5 -4 305.19 21.02 -9 -6 3 55.90 25.67 -9 -6 2 329.44 55.36 -9 -6 1 153.85 40.07 -9 -6 0 132.64 29.31 -9 -6 -1 39.10 16.75 -9 -6 -2 1.74 6.09 -9 -7 1 27.31 19.36 -9 -7 0 31.85 17.38 -9 -7 -1 45.74 15.84 -9 -7 -2 193.82 38.73 -10 3 -1 0.48 2.78 -10 3 -2 294.21 21.25 -10 3 -3 143.54 13.00 -10 3 -4 157.45 13.82 -10 2 0 720.19 43.92 -10 2 -1 49.57 9.24 -10 2 -2 250.44 26.44 -10 2 -3 40.34 8.27 -10 2 -4 3.51 4.59 -10 2 -5 228.28 18.07 -10 2 -6 8.33 5.12 10 -1 -1 37.48 7.84 -10 1 1 31.09 8.00 -10 1 0 18.41 7.87 -10 1 0 91.66 10.40 -10 1 -1 6.69 6.01 -10 1 -2 30.32 13.70 -10 1 -3 9.14 6.13 -10 1 -4 995.83 60.88 -10 1 -5 497.07 33.23 -10 1 -6 22.93 7.00 10 0 -1 32.10 7.56 -10 0 1 99.41 12.49 -10 0 0 66.59 13.16 -10 0 0 213.02 17.20 -10 0 -1 210.14 19.82 -10 0 -2 306.75 25.17 -10 0 -3 196.20 18.31 -10 0 -4 0.34 3.54 -10 0 -5 75.95 10.80 -10 0 -6 69.58 9.64 -10 0 -7 50.80 7.65 10 1 -1 408.22 27.44 -10 -1 1 275.44 29.91 -10 -1 0 115.68 21.96 -10 -1 0 258.67 20.63 -10 -1 -1 23.13 6.96 -10 -1 -1 122.79 12.28 -10 -1 -2 195.63 19.05 -10 -1 -3 11.04 6.44 -10 -1 -4 179.41 16.38 -10 -1 -5 9.27 5.49 -10 -1 -6 186.78 15.05 -10 -1 -7 20.92 5.28 10 2 -1 8.55 5.14 -10 -2 1 18.93 7.03 -10 -2 0 18.73 7.48 -10 -2 0 51.05 8.99 -10 -2 -1 28.26 5.94 -10 -2 -1 143.23 12.28 -10 -2 -2 138.03 15.51 -10 -2 -3 224.96 19.39 -10 -2 -4 64.88 9.34 -10 -2 -5 31.03 6.69 -10 -2 -6 53.13 7.33 -10 -2 -7 49.20 5.72 10 3 -1 338.37 21.85 -10 -3 1 255.74 20.71 10 3 0 1.01 2.93 -10 -3 0 3.33 3.57 -10 -3 -1 433.15 29.91 -10 -3 -2 26.41 7.34 -10 -3 -3 17.01 6.25 -10 -3 -4 19.00 5.95 -10 -3 -5 83.39 9.33 -10 -3 -6 32.63 5.27 10 4 0 0.81 2.07 10 4 1 -0.47 1.97 -10 -4 -3 117.98 10.66 -10 -4 -4 14.96 4.21 ; loop_ _symmetry_equiv_pos_site_id _space_group_symop_operation_xyz 1 +X,+Y,+Z 2 -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_multiplicity _atom_site_calc_flag _atom_site_refinement_flags S1 S 0.44955(6) -0.23804(5) 0.28756(4) 0.02212(19) Uani 1 2 d . S2 S 0.26838(6) 0.35022(5) 0.14667(4) 0.02286(19) Uani 1 2 d . O1 O 0.37147(19) 0.03456(13) 0.12513(12) 0.0249(4) Uani 1 2 d . O2 O 0.0986(2) -0.08199(15) -0.19401(13) 0.0348(4) Uani 1 2 d . O3 O 0.36325(19) 0.33788(14) 0.22748(13) 0.0286(4) Uani 1 2 d . O4 O 0.29996(19) 0.43131(13) 0.06246(13) 0.0297(4) Uani 1 2 d . O5 O 0.53989(18) -0.33528(13) 0.25851(12) 0.0266(4) Uani 1 2 d . O6 O 0.50134(19) -0.16821(14) 0.35771(12) 0.0282(4) Uani 1 2 d . N2 N 0.2847(2) 0.23251(16) 0.09535(15) 0.0222(4) Uani 1 2 d . N32 N 0.4386(2) -0.16249(18) 0.17879(15) 0.0222(5) Uani 1 2 d . N34 N 0.2713(3) 0.0796(2) 0.3780(2) 0.0458(6) Uani 1 2 d . C1 C 0.2252(3) 0.08915(19) -0.00981(16) 0.0201(5) Uani 1 2 d . C3 C 0.1582(3) 0.0583(2) -0.09564(17) 0.0217(5) Uani 1 2 d . C4 C 0.3699(3) -0.18897(19) 0.09298(16) 0.0203(5) Uani 1 2 d . C5 C 0.2374(3) -0.13744(19) -0.05562(17) 0.0219(5) Uani 1 2 d . C6 C 0.3058(3) -0.3221(2) -0.02023(18) 0.0260(5) Uani 1 2 d . C7 C 0.1466(3) 0.2735(2) -0.05349(18) 0.0257(5) Uani 1 2 d . C8 C 0.0599(3) -0.3996(2) 0.38860(17) 0.0251(5) Uani 1 2 d . C9 C 0.1460(3) -0.1883(2) 0.37854(17) 0.0244(5) Uani 1 2 d . C10 C 0.2558(3) -0.27097(19) 0.34120(16) 0.0207(5) Uani 1 2 d . C11 C 0.2190(3) 0.19935(19) 0.01118(17) 0.0213(5) Uani 1 2 d . C12 C 0.3026(3) -0.10697(19) 0.03084(16) 0.0201(5) Uani 1 2 d . C13 C 0.0848(3) 0.2411(2) -0.13753(18) 0.0280(6) Uani 1 2 d . C14 C 0.0896(3) 0.1334(2) -0.15941(18) 0.0253(5) Uani 1 2 d . C15 C 0.3696(3) -0.29584(19) 0.06577(17) 0.0236(5) Uani 1 2 d . C16 C 0.1603(3) -0.0560(2) -0.12181(17) 0.0236(5) Uani 1 2 d . C17 C 0.2395(3) -0.2435(2) -0.08143(18) 0.0250(5) Uani 1 2 d . C18 C -0.2350(3) 0.40066(19) 0.31989(17) 0.0226(5) Uani 1 2 d . C19 C 0.0143(3) 0.2996(2) 0.29645(17) 0.0237(5) Uani 1 2 d . C20 C -0.0067(3) -0.2134(2) 0.42064(17) 0.0255(5) Uani 1 2 d . C21 C 0.0709(3) 0.36838(19) 0.21041(17) 0.0210(5) Uani 1 2 d . C22 C 0.2136(3) -0.3758(2) 0.34483(17) 0.0247(5) Uani 1 2 d . C23 C -0.1765(3) 0.46829(19) 0.23248(17) 0.0240(5) Uani 1 2 d . C24 C -0.1375(3) 0.31687(19) 0.35120(17) 0.0235(5) Uani 1 2 d . C25 C -0.2170(3) -0.3455(2) 0.47411(19) 0.0302(6) Uani 1 2 d . C26 C -0.0517(3) -0.3194(2) 0.42677(17) 0.0242(5) Uani 1 2 d . C27 C -0.0236(3) 0.45253(19) 0.17706(18) 0.0240(5) Uani 1 2 d . C28 C -0.4007(3) 0.4170(2) 0.38053(18) 0.0275(6) Uani 1 2 d . C29 C 0.4006(4) 0.0890(2) 0.3774(2) 0.0348(6) Uani 1 2 d . C31 C 0.5663(4) 0.1005(3) 0.3773(3) 0.0490(8) Uani 1 2 d . C33 C 0.3031(3) 0.00710(19) 0.05382(16) 0.0194(5) Uani 1 2 d . H6 H 0.30735 -0.3949 -0.0377 0.0312 Uiso 1 2 calc R H7 H 0.1403 0.34728 -0.0389 0.0308 Uiso 1 2 calc R H8 H 0.03068 -0.47162 0.39247 0.0301 Uiso 1 2 calc R H9 H 0.17575 -0.11638 0.37501 0.0293 Uiso 1 2 calc R H13 H 0.03823 0.29282 -0.18121 0.0336 Uiso 1 2 calc R H14 H 0.04627 0.11151 -0.21753 0.0304 Uiso 1 2 calc R H15 H 0.414 -0.35086 0.10717 0.0283 Uiso 1 2 calc R H17 H 0.1957 -0.26217 -0.14062 0.0300 Uiso 1 2 calc R H19 H 0.07895 0.24144 0.31749 0.0284 Uiso 1 2 calc R H20 H -0.08222 -0.15807 0.44576 0.0306 Uiso 1 2 calc R H22 H 0.2885 -0.43083 0.31783 0.0296 Uiso 1 2 calc R H23 H -0.24165 0.52573 0.21056 0.0288 Uiso 1 2 calc R H24 H -0.17623 0.27089 0.41118 0.0281 Uiso 1 2 calc R H25A H -0.2785 -0.27964 0.49652 0.0362 Uiso 1 2 calc R H25B H -0.26319 -0.3786 0.4201 0.0362 Uiso 1 2 calc R H25C H -0.21745 -0.39522 0.53662 0.0362 Uiso 1 2 calc R H27 H 0.0158 0.49851 0.11726 0.0288 Uiso 1 2 calc R H28A H -0.42071 0.36212 0.43893 0.0330 Uiso 1 2 calc R H28B H -0.41512 0.488 0.41063 0.0330 Uiso 1 2 calc R H28C H -0.47394 0.41137 0.33142 0.0330 Uiso 1 2 calc R H31A H 0.59731 0.16204 0.32186 0.1141 Uiso 1 2 calc R H31B H 0.61143 0.03231 0.36133 0.1071 Uiso 1 2 calc R H31C H 0.58201 0.13066 0.45091 0.0539 Uiso 1 2 calc R H2 H 0.32555 0.18173 0.13076 0.0350 Uiso 1 2 calc R H32 H 0.43647 -0.10245 0.19049 0.0380 Uiso 1 2 calc R loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 S1 0.0216(3) 0.0217(4) 0.0226(3) 0.0021(2) -0.0048(2) 0.0015(2) S2 0.0232(3) 0.0182(4) 0.0262(3) 0.0001(2) -0.0018(2) -0.0034(2) O1 0.0298(9) 0.0215(10) 0.0246(8) 0.0011(7) -0.0087(7) -0.0022(7) O2 0.0491(12) 0.0287(11) 0.0309(9) -0.0004(9) -0.0187(8) -0.0041(8) O3 0.0268(9) 0.0272(11) 0.0333(9) -0.0004(7) -0.0075(7) -0.0079(7) O4 0.0309(10) 0.0194(10) 0.0350(9) -0.0026(7) 0.0035(7) 0.0006(7) O5 0.0245(9) 0.0225(10) 0.0303(9) 0.0058(7) -0.0022(7) 0.0020(7) O6 0.0279(9) 0.0295(11) 0.0282(9) 0.0003(7) -0.0088(7) -0.0003(7) N2 0.0272(11) 0.0169(11) 0.0225(10) 0.0013(9) -0.0050(8) -0.0020(8) N32 0.0255(11) 0.0177(12) 0.0226(10) -0.0000(9) -0.0031(8) 0.0004(8) N34 0.0468(16) 0.0401(16) 0.0505(15) 0.0060(12) -0.0094(12) -0.0100(12) C1 0.0182(11) 0.0223(13) 0.0179(11) -0.0011(9) 0.0016(9) -0.0003(9) C3 0.0212(12) 0.0225(14) 0.0193(11) -0.0008(10) 0.0009(9) -0.0001(9) C4 0.0184(12) 0.0222(13) 0.0181(11) -0.0000(9) 0.0019(9) 0.0002(9) C5 0.0227(12) 0.0221(14) 0.0189(11) -0.0011(10) 0.0010(9) -0.0002(9) C6 0.0325(14) 0.0195(14) 0.0243(12) -0.0030(10) -0.0001(10) -0.0021(9) C7 0.0296(13) 0.0208(14) 0.0237(12) 0.0023(10) 0.0006(10) 0.0016(9) C8 0.0274(13) 0.0271(15) 0.0216(11) -0.0023(10) -0.0066(10) -0.0006(9) C9 0.0306(13) 0.0232(14) 0.0193(11) 0.0024(10) -0.0055(10) -0.0002(9) C10 0.0221(12) 0.0235(14) 0.0154(10) 0.0012(10) -0.0023(9) 0.0009(9) C11 0.0196(12) 0.0225(14) 0.0192(11) -0.0003(10) 0.0025(9) -0.0001(9) C12 0.0189(12) 0.0210(13) 0.0185(11) -0.0011(9) 0.0013(9) -0.0010(9) C13 0.0334(14) 0.0254(15) 0.0232(12) 0.0041(11) -0.0040(10) 0.0048(10) C14 0.0261(13) 0.0295(15) 0.0196(11) -0.0002(11) -0.0028(9) -0.0004(10) C15 0.0240(12) 0.0207(14) 0.0235(12) 0.0015(10) 0.0007(9) 0.0008(9) C16 0.0243(13) 0.0247(14) 0.0210(11) -0.0012(10) -0.0020(9) -0.0015(9) C17 0.0301(14) 0.0237(14) 0.0208(11) -0.0025(11) -0.0028(10) -0.0033(9) C18 0.0226(12) 0.0238(14) 0.0224(11) -0.0003(10) -0.0053(9) -0.0065(9) C19 0.0267(13) 0.0215(14) 0.0243(12) -0.0007(10) -0.0085(10) -0.0006(9) C20 0.0253(13) 0.0294(15) 0.0213(11) 0.0053(11) -0.0051(9) -0.0008(10) C21 0.0223(12) 0.0200(13) 0.0213(11) -0.0008(10) -0.0039(9) -0.0064(9) C22 0.0279(13) 0.0271(14) 0.0193(11) 0.0027(11) -0.0063(9) -0.0015(9) C23 0.0269(13) 0.0208(14) 0.0246(12) 0.0040(10) -0.0066(10) -0.0043(9) C24 0.0260(13) 0.0253(14) 0.0198(11) -0.0019(10) -0.0062(9) 0.0001(9) C25 0.0258(13) 0.0389(16) 0.0261(12) 0.0002(11) -0.0057(10) -0.0029(11) C26 0.0266(13) 0.0309(15) 0.0165(11) -0.0019(10) -0.0077(9) 0.0003(9) C27 0.0299(13) 0.0203(13) 0.0221(11) -0.0004(10) -0.0056(10) -0.0026(9) C28 0.0242(13) 0.0305(15) 0.0272(12) 0.0012(11) -0.0037(10) -0.0028(10) C29 0.0484(18) 0.0255(16) 0.0290(13) 0.0002(13) -0.0026(12) -0.0071(11) C31 0.0476(19) 0.053(2) 0.0454(19) -0.0167(17) 0.0009(15) -0.0092(17) C33 0.0179(11) 0.0217(13) 0.0159(10) 0.0012(9) 0.0026(9) -0.0006(9) loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0181 0.0091 ; International Tables for Crystallography (Vol. C, Tables 4.2.6.8 and 6.1.1.4) ; H H 0.0000 0.0000 ; International Tables for Crystallography (Vol. C, Table 6.1.1.4) ; O O 0.0492 0.0322 ; International Tables for Crystallography (Vol. C, Tables 4.2.6.8 and 6.1.1.4) ; N N 0.0311 0.0180 ; International Tables for Crystallography (Vol. C, Tables 4.2.6.8 and 6.1.1.4) ; S S 0.3331 0.5567 ; International Tables for Crystallography (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_publ_flag O5 S1 O6 119.42(10) yes O5 S1 N32 109.59(10) yes O5 S1 C10 108.03(11) yes O6 S1 N32 104.07(11) yes O6 S1 C10 109.40(10) yes N32 S1 C10 105.46(10) yes O3 S2 O4 119.82(11) yes O3 S2 N2 103.74(11) yes O3 S2 C21 108.53(10) yes O4 S2 N2 109.86(10) yes O4 S2 C21 108.24(10) yes N2 S2 C21 105.78(11) yes S2 N2 C11 128.58(17) yes S1 N32 C4 125.94(18) yes C3 C1 C11 118.4(2) yes C3 C1 C33 119.8(2) yes C11 C1 C33 121.8(2) yes C1 C3 C14 121.3(2) yes C1 C3 C16 121.2(2) yes C14 C3 C16 117.5(2) yes N32 C4 C12 120.1(2) yes N32 C4 C15 120.6(2) yes C12 C4 C15 119.3(2) yes C12 C5 C16 120.8(2) yes C12 C5 C17 121.7(2) yes C16 C5 C17 117.5(2) yes C15 C6 C17 120.7(2) yes C11 C7 C13 121.1(2) yes C22 C8 C26 121.0(2) yes C10 C9 C20 118.7(2) yes S1 C10 C9 118.36(18) yes S1 C10 C22 120.38(17) yes C9 C10 C22 121.2(2) yes N2 C11 C1 119.8(2) yes N2 C11 C7 121.1(2) yes C1 C11 C7 119.1(2) yes C4 C12 C5 118.0(2) yes C4 C12 C33 121.7(2) yes C5 C12 C33 120.3(2) yes C7 C13 C14 120.7(2) yes C3 C14 C13 119.4(2) yes C4 C15 C6 120.9(2) yes O2 C16 C3 120.7(2) yes O2 C16 C5 121.2(2) yes C3 C16 C5 118.1(2) yes C5 C17 C6 119.4(2) yes C23 C18 C24 118.9(2) yes C23 C18 C28 121.1(2) yes C24 C18 C28 119.98(19) yes C21 C19 C24 119.1(2) yes C9 C20 C26 121.1(2) yes S2 C21 C19 118.48(18) yes S2 C21 C27 120.34(16) yes C19 C21 C27 121.1(2) yes C8 C22 C10 119.1(2) yes C18 C23 C27 120.6(2) yes C18 C24 C19 121.1(2) yes C8 C26 C20 118.8(2) yes C8 C26 C25 120.8(2) yes C20 C26 C25 120.4(2) yes C21 C27 C23 119.1(2) yes N34 C29 C31 179.6(3) yes O1 C33 C1 120.0(2) yes O1 C33 C12 120.2(2) yes C1 C33 C12 119.8(2) yes loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_publ_flag S1 O5 1.4347(17) yes S1 O6 1.4323(19) yes S1 N32 1.643(2) yes S1 C10 1.762(2) yes S2 O3 1.4290(19) yes S2 O4 1.4321(17) yes S2 N2 1.633(2) yes S2 C21 1.763(2) yes O1 C33 1.247(3) yes O2 C16 1.215(3) yes N2 C11 1.397(3) yes N32 C4 1.402(3) yes N34 C29 1.138(4) yes C1 C3 1.411(3) yes C1 C11 1.417(3) yes C1 C33 1.481(3) yes C3 C14 1.386(3) yes C3 C16 1.487(4) yes C4 C12 1.424(3) yes C4 C15 1.403(3) yes C5 C12 1.407(3) yes C5 C16 1.493(3) yes C5 C17 1.386(3) yes C6 C15 1.378(4) yes C6 C17 1.384(3) yes C7 C11 1.402(3) yes C7 C13 1.373(4) yes C8 C22 1.393(3) yes C8 C26 1.393(3) yes C9 C10 1.404(3) yes C9 C20 1.385(3) yes C10 C22 1.383(4) yes C12 C33 1.476(3) yes C13 C14 1.389(4) yes C18 C23 1.394(3) yes C18 C24 1.395(3) yes C18 C28 1.508(3) yes C19 C21 1.386(3) yes C19 C24 1.382(3) yes C20 C26 1.402(4) yes C21 C27 1.392(3) yes C23 C27 1.390(3) yes C25 C26 1.501(3) yes C29 C31 1.460(5) yes loop_ _geom_hbond_atom_site_label_D _geom_hbond_atom_site_label_H _geom_hbond_atom_site_label_A _geom_hbond_distance_DA _geom_hbond_distance_DH _geom_hbond_distance_HA _geom_hbond_angle_DHA _geom_hbond_publ_flag N2 H2 O1 2.576(3) 0.856 1.865 139.4 no N32 H32 O1 2.585(3) 0.774 1.962 137.4 no