#------------------------------------------------------------------------------ #$Date: 2019-06-13 12:52:54 +0300 (Thu, 13 Jun 2019) $ #$Revision: 215936 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/55/14/1551405.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_1551405 loop_ _publ_author_name 'Meghan B. Ward' 'Andreas Scheitler' 'Meng Yu' 'Laura Senft' 'Annika S. Zillmann' 'John D. Gorden' 'Dean D. Schwartz' 'Ivana Ivanovic-Burmazovic' 'Christian R. Goldsmith' _publ_section_title ; Superoxide dismutase activity enabled by a redox-active ligand rather than metal ; _journal_name_full 'Nature Chemistry' _journal_page_first 1207 _journal_page_last 1212 _journal_paper_doi 10.1038/s41557-018-0137-1 _journal_volume 10 _journal_year 2018 _chemical_formula_moiety 'C27 H29 N5 O2, C H4 O' _chemical_formula_sum 'C28 H33 N5 O3' _chemical_formula_weight 487.61 _chemical_name_systematic '2-({(2-{bis{(pyridin-2-yl)methyl}amino}ethyl){(pyridin-2-yl)methyl]amino]methyl)benzene-1,4-diol methanol solvate' _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_Int_Tables_number 2 _atom_sites_solution_primary iterative _cell_angle_alpha 93.769(2) _cell_angle_beta 113.6270(10) _cell_angle_gamma 103.020(2) _cell_formula_units_Z 2 _cell_length_a 10.2291(6) _cell_length_b 11.3937(6) _cell_length_c 12.5182(7) _cell_measurement_reflns_used 9984 _cell_measurement_temperature 180 _cell_measurement_theta_max 25.77 _cell_measurement_theta_min 2.21 _cell_volume 1282.25(13) _computing_cell_refinement 'SAINT V8.38A (Bruker, 2016)' _computing_data_reduction 'SAINT V8.38A (Bruker, 2016)' _computing_molecular_graphics 'Olex2 (Dolomanov et al., 2009)' _computing_publication_material 'Olex2 (Dolomanov et al., 2009)' _computing_structure_refinement 'olex2.refine (Bourhis et al., 2015)' _computing_structure_solution 'olex2.solve (Bourhis et al., 2015)' _diffrn_ambient_temperature 180 _diffrn_measured_fraction_theta_full 0.9760 _diffrn_measured_fraction_theta_max 0.9760 _diffrn_measurement_device_type 'Bruker APEX CCD' _diffrn_measurement_method '\f and \w scans' _diffrn_radiation_type 'Mo K\a' _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0378 _diffrn_reflns_av_unetI/netI 0.0260 _diffrn_reflns_limit_h_max 12 _diffrn_reflns_limit_h_min -12 _diffrn_reflns_limit_k_max 13 _diffrn_reflns_limit_k_min -13 _diffrn_reflns_limit_l_max 15 _diffrn_reflns_limit_l_min -15 _diffrn_reflns_number 26957 _diffrn_reflns_theta_full 25.7719 _diffrn_reflns_theta_max 25.77 _diffrn_reflns_theta_min 1.80 _diffrn_standards_number 0 _exptl_absorpt_coefficient_mu 0.084 _exptl_absorpt_correction_T_max 0.7453 _exptl_absorpt_correction_T_min 0.6369 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details 'SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.1027 before and 0.0575 after correction. The Ratio of minimum to maximum transmission is 0.8546. The \l/2 correction factor is Not present.' _exptl_crystal_colour 'clear yellowish' _exptl_crystal_colour_lustre clear _exptl_crystal_colour_modifier yellowish _exptl_crystal_density_diffrn 1.2628 _exptl_crystal_description Block _exptl_crystal_F_000 520.2235 _exptl_crystal_size_max 0.1 _exptl_crystal_size_mid 0.1 _exptl_crystal_size_min 0.08 _refine_diff_density_max 0.3529 _refine_diff_density_min -0.3264 _refine_diff_density_rms 0.0741 _refine_ls_d_res_high 0.8173 _refine_ls_d_res_low 11.2923 _refine_ls_goodness_of_fit_ref 1.0795 _refine_ls_hydrogen_treatment mixed _refine_ls_matrix_type full _refine_ls_number_constraints 56 _refine_ls_number_parameters 334 _refine_ls_number_reflns 4802 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 1.0795 _refine_ls_R_factor_all 0.0677 _refine_ls_R_factor_gt 0.0588 _refine_ls_shift/su_max 0.0000 _refine_ls_shift/su_mean 0.0000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0000P)^2^+2.5140P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.1218 _refine_ls_wR_factor_ref 0.1294 _reflns_Friedel_coverage 0.0 _reflns_limit_h_max 11 _reflns_limit_h_min -12 _reflns_limit_k_max 13 _reflns_limit_k_min -13 _reflns_limit_l_max 15 _reflns_limit_l_min 0 _reflns_number_gt 4169 _reflns_number_total 4802 _reflns_threshold_expression I>=2u(I) _iucr_refine_instructions_details ; TITL Goldsmith051616_0m_a.res in P-1 REM Old TITL Goldsmith051616_0m in P-1 REM SHELXT solution in P-1 REM R1 0.146, Rweak 0.017, Alpha 0.040, Orientation as input REM Formula found by SHELXT: C28 N6 O2 REM ##### CELL 0.71073 10.2291 11.3937 12.5182 93.769 113.627 103.02 ZERR 2 0.0006 0.0006 0.0007 0.002 0.001 0.002 LATT 1 SFAC C H N O UNIT 56 66 10 6 EQIV $1 +X,1+Y,+Z EQIV $2 -X,1-Y,1-Z EQIV $3 -X,-Y,1-Z L.S. 10 PLAN 20 SIZE 0.08 0.1 0.1 TEMP -93.15 HTAB O1 N3_$1 HTAB O2 N4 HTAB O3 N5 HTAB C9 O2 HTAB C15 O1_$2 HTAB C12 O3_$3 BOND $H LIST 6 FMAP 2 acta WGHT 0 2.51401 FVAR 0.739578 REM REM REM O2 4 0.42038 0.36012 0.80588 11.00000 0.03784 0.02834 0.03288 = 0.00256 0.00427 0.01508 C2 1 0.93701 0.21008 0.83991 11.00000 0.02407 0.04481 0.04150 = 0.01069 0.00658 0.00809 AFIX 43 H2a 2 1.04097 0.24647 0.88119 11.00000 -1.20000 AFIX 0 O1 4 0.07264 0.68290 0.71425 11.00000 0.03466 0.03302 0.04904 = -0.00452 0.00771 0.01623 AFIX 148 H1 2 0.12449 0.75831 0.76633 11.00000 -1.50000 AFIX 0 N1 3 0.73503 0.05716 0.68618 11.00000 0.02852 0.03553 0.03151 = 0.00872 0.01580 0.01298 H2 2 0.38587 0.30629 0.73530 11.00000 0.05379 C1 1 0.88065 0.11120 0.74973 11.00000 0.02884 0.04925 0.04062 = 0.01217 0.01721 0.01784 AFIX 43 H1a 2 0.94880 0.07930 0.73137 11.00000 -1.20000 AFIX 0 N2 3 0.37793 0.06086 0.68668 11.00000 0.02503 0.01901 0.02628 = 0.00480 0.01499 0.00670 N3 3 0.20573 -0.08780 0.85337 11.00000 0.03150 0.02276 0.03198 = 0.00811 0.01737 0.01082 O3 4 0.17581 0.30195 0.14108 11.00000 0.05051 0.04131 0.03647 = -0.00688 0.00839 0.01139 AFIX 148 H3a 2 0.23299 0.29524 0.21771 11.00000 -1.50000 AFIX 0 C3 1 0.83863 0.25509 0.86889 11.00000 0.03586 0.03291 0.03112 = 0.00399 0.00567 0.00771 AFIX 43 H3 2 0.87377 0.32227 0.93162 11.00000 -1.20000 AFIX 0 N4 3 0.24873 0.25737 0.57187 11.00000 0.02237 0.01897 0.02639 = 0.00253 0.01128 0.00550 C4 1 0.68803 0.20066 0.80500 11.00000 0.02991 0.02822 0.02904 = 0.00718 0.01266 0.01142 AFIX 43 H4 2 0.61813 0.22977 0.82335 11.00000 -1.20000 AFIX 0 N5 3 0.40365 0.30974 0.36940 11.00000 0.03768 0.02609 0.02729 = 0.00546 0.01421 0.00892 C5 1 0.64053 0.10292 0.71369 11.00000 0.02663 0.02439 0.02387 = 0.01099 0.01267 0.01006 C6 1 0.47821 0.04549 0.63305 11.00000 0.02589 0.02404 0.02744 = 0.00378 0.01532 0.00676 AFIX 23 H6a 2 0.46258 -0.04303 0.60950 11.00000 -1.20000 H6b 2 0.45205 0.08209 0.56028 11.00000 -1.20000 AFIX 0 C9 1 0.36190 0.11711 0.92307 11.00000 0.03642 0.02429 0.03130 = 0.00601 0.01865 0.00650 AFIX 43 H9 2 0.43717 0.18064 0.91921 11.00000 -1.20000 AFIX 0 C8 1 0.31416 0.00368 0.85195 11.00000 0.02954 0.02177 0.02663 = 0.01134 0.01442 0.01223 C7 1 0.38410 -0.02437 0.77106 11.00000 0.03686 0.02324 0.03529 = 0.01027 0.02266 0.01444 AFIX 23 H7a 2 0.33253 -0.10872 0.72625 11.00000 -1.20000 H7b 2 0.48912 -0.02090 0.81979 11.00000 -1.20000 AFIX 0 C010 1 0.18662 0.42545 0.13319 11.00000 0.07391 0.04658 0.05638 = -0.00765 -0.00424 0.01075 AFIX 137 H01a 2 0.14128 0.43391 0.04975 11.00000 -1.50000 H01b 2 0.13477 0.45652 0.17484 11.00000 -1.50000 H01c 2 0.29138 0.47240 0.16946 11.00000 -1.50000 AFIX 0 C20 1 0.52584 0.30235 0.35577 11.00000 0.04734 0.03254 0.03524 = 0.00598 0.02652 0.01007 AFIX 43 H20 2 0.51727 0.28582 0.27750 11.00000 -1.20000 AFIX 0 C21 1 0.13459 0.28629 0.60524 11.00000 0.02161 0.02451 0.03116 = 0.00010 0.01283 0.00440 AFIX 23 H21a 2 0.04744 0.28781 0.53268 11.00000 -1.20000 H21b 2 0.10168 0.22099 0.64473 11.00000 -1.20000 AFIX 0 C22 1 0.19167 0.40799 0.68710 11.00000 0.02371 0.02268 0.02503 = 0.00349 0.01308 0.00429 C23 1 0.33073 0.43804 0.78459 11.00000 0.03022 0.02168 0.02469 = 0.00888 0.01101 0.01025 C24 1 0.37915 0.54753 0.86222 11.00000 0.03114 0.02886 0.02239 = 0.00394 0.00332 0.00528 AFIX 43 H24 2 0.47192 0.56677 0.92978 11.00000 -1.20000 AFIX 0 C25 1 0.29315 0.62929 0.84200 11.00000 0.03645 0.02354 0.02491 = -0.00042 0.00911 0.00538 AFIX 43 H25 2 0.32708 0.70375 0.89613 11.00000 -1.20000 AFIX 0 C26 1 0.15801 0.60294 0.74326 11.00000 0.02749 0.02622 0.03155 = 0.00554 0.01384 0.01024 C27 1 0.10816 0.49151 0.66720 11.00000 0.02012 0.02873 0.02530 = 0.00073 0.00890 0.00435 AFIX 43 H27 2 0.01486 0.47225 0.60017 11.00000 -1.20000 AFIX 0 C19 1 0.66230 0.31732 0.44847 11.00000 0.03577 0.02412 0.04852 = 0.00848 0.02650 0.00562 AFIX 43 H19 2 0.74496 0.30962 0.43455 11.00000 -1.20000 AFIX 0 C18 1 0.67587 0.34377 0.56199 11.00000 0.02660 0.03055 0.03963 = 0.01275 0.01393 0.00330 AFIX 43 H18 2 0.76856 0.35536 0.62819 11.00000 -1.20000 AFIX 0 C17 1 0.55241 0.35315 0.57788 11.00000 0.03168 0.02866 0.02696 = 0.00856 0.01389 0.00590 AFIX 43 H17 2 0.55973 0.37233 0.65543 11.00000 -1.20000 AFIX 0 C16 1 0.41757 0.33445 0.48014 11.00000 0.02975 0.01447 0.02828 = 0.00786 0.01360 0.00636 C15 1 0.27999 0.34194 0.49445 11.00000 0.03176 0.02654 0.02747 = 0.01035 0.01251 0.01420 AFIX 23 H15a 2 0.19423 0.32109 0.41569 11.00000 -1.20000 H15b 2 0.29325 0.42680 0.52911 11.00000 -1.20000 AFIX 0 C14 1 0.20143 0.12919 0.51220 11.00000 0.02060 0.02359 0.02500 = -0.00168 0.00735 0.00488 AFIX 23 H14a 2 0.09486 0.10808 0.45698 11.00000 -1.20000 H14b 2 0.25751 0.12131 0.46471 11.00000 -1.20000 AFIX 0 C13 1 0.22467 0.03827 0.59718 11.00000 0.02225 0.01833 0.03334 = -0.00257 0.01385 0.00029 AFIX 23 H13a 2 0.19274 -0.04492 0.55062 11.00000 -1.20000 H13b 2 0.15985 0.03993 0.63815 11.00000 -1.20000 AFIX 0 C12 1 0.14627 -0.06650 0.92863 11.00000 0.03254 0.02887 0.03774 = 0.01232 0.02213 0.00998 AFIX 43 H12 2 0.06982 -0.13058 0.93027 11.00000 -1.20000 AFIX 0 C11 1 0.19027 0.04289 1.00311 11.00000 0.03825 0.03795 0.03139 = 0.00955 0.02265 0.01660 AFIX 43 H11 2 0.14661 0.05351 1.05596 11.00000 -1.20000 AFIX 0 C10 1 0.29957 0.13739 0.99958 11.00000 0.03914 0.02911 0.02793 = 0.00082 0.01475 0.00976 AFIX 43 H10 2 0.33109 0.21474 1.04888 11.00000 -1.20000 AFIX 0 HKLF 4 END Q1 1 0.59375 0.277778 0.825 11 0.05 0.35 Q2 1 0.28125 0.444444 0.7 11 0.05 0.28 Q3 1 0.5 0.388889 0.525 11 0.05 0.27 Q4 1 0.40625 0.055556 0.925 11 0.05 0.27 Q5 1 0.09375 0.527778 0.725 11 0.05 0.27 Q6 1 0.3125 0.277778 0.3 11 0.05 0.26 Q7 1 0.15625 0.416667 0.05 11 0.05 0.26 Q8 1 0.375 0.138889 0.7 11 0.05 0.26 Q9 1 0.25 0.194444 0.55 11 0.05 0.25 Q10 1 1 0.055556 0.75 11 0.05 0.25 Q11 1 0.34375 0.472222 0.85 11 0.05 0.25 Q12 1 0.25 0.472222 0.225 11 0.05 0.25 Q13 1 0.21875 0.027778 1.1 11 0.05 0.25 Q14 1 0.28125 0.194444 0.65 11 0.05 0.25 Q15 1 0.6875 0.055556 0.725 11 0.05 0.24 Q16 1 0.03125 -0.027778 1.025 11 0.05 0.24 Q17 1 0.875 0.305556 1.05 11 0.05 0.24 Q18 1 0.5 0 0.575 11 0.05 0.23 Q19 1 0.21875 0.75 0.9 11 0.05 0.23 Q20 1 0.3125 0.083333 1.05 11 0.05 0.23 REM The information below was added by Olex2. REM REM R1 = 0.0588 for 4169 Fo > 4sig(Fo) and 0.0677 for all 4802 data REM 334 parameters refined using 0 restraints REM Highest difference peak 0.3529, deepest hole -0.3264 REM Mean Shift 0.0000, Max Shift 0.0000. REM +++ Tabular Listing of Refinement Information +++ REM R1_all = 0.0677 REM R1_gt = 0.0588 REM wR_ref = 0.1294 REM GOOF = 1.0795 REM Shift_max = 0.0000 REM Shift_mean = 0.0000 REM Reflections_all = 4802 REM Reflections_gt = 4169 REM Parameters = 334 REM Hole = -0.3264 REM Peak = 0.3529 REM Flack = n/a ; _cod_data_source_file 41557_2018_137_MOESM27_ESM.cif _cod_data_source_block Goldsmith051616_0m_a _cod_database_code 1551405 _olex2_refinement_description ; 1. Fixed Uiso At 1.2 times of: All C(H) groups, All C(H,H) groups At 1.5 times of: All C(H,H,H) groups, All O(H) groups 2.a Secondary CH2 refined with riding coordinates: C6(H6a,H6b), C7(H7a,H7b), C21(H21a,H21b), C15(H15a,H15b), C14(H14a,H14b), C13(H13a,H13b) 2.b Aromatic/amide H refined with riding coordinates: C2(H2a), C1(H1a), C3(H3), C4(H4), C9(H9), C20(H20), C24(H24), C25(H25), C27(H27), C19(H19), C18(H18), C17(H17), C12(H12), C11(H11), C10(H10) 2.c Idealised Me refined as rotating group: C010(H01a,H01b,H01c) 2.d Idealised tetrahedral OH refined as rotating group with stretchable bonds: O1(H1), O3(H3a) ; _iucr_refine_fcf_details ; data_Goldsmith051616_0m_a _computing_structure_refinement 'olex2.refine (Bourhis et al., 2015)' _shelx_refln_list_code 4 loop_ _space_group_symop_id _space_group_symop_operation_xyz 1 x,y,z 2 -x,-y,-z _space_group_crystal_system triclinic _space_group_IT_number 2 _space_group_name_H-M_alt 'P -1' _space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _symmetry_space_group_name_Hall '-P 1' _symmetry_Int_Tables_number 2 _cell_length_a 10.2291(6) _cell_length_b 11.3937(6) _cell_length_c 12.5182(7) _cell_angle_alpha 93.769(2) _cell_angle_beta 113.6270(10) _cell_angle_gamma 103.020(2) _cell_volume 1282.25(13) loop_ _refln_index_h _refln_index_k _refln_index_l _refln_F_squared_calc _refln_F_squared_meas _refln_F_squared_sigma _refln_F_squared_weight _refln_observed_status -12 0 5 20.942 18.221 2.577 27.093 o -12 0 6 18.787 21.019 3.272 25.825 o -12 0 7 59.677 61.997 3.718 9.316 o -12 0 8 0.528 -0.124 1.773 383.485 o -12 1 3 4.428 10.055 4.571 42.043 o -12 1 4 11.799 7.500 3.231 42.317 o -12 1 5 135.488 139.363 6.386 4.016 o -12 1 6 63.028 84.817 6.236 7.164 o -12 1 7 4.344 5.446 2.442 86.746 o -12 1 8 8.978 8.096 2.407 55.913 o -12 1 9 36.686 27.081 4.103 15.290 o -12 2 3 0.031 2.991 1.301 363.444 o -12 2 4 11.345 15.601 3.048 37.324 o -12 2 5 29.826 43.175 5.867 12.808 o -12 2 6 13.085 22.926 3.774 27.890 o -12 2 7 177.057 189.321 8.003 2.973 o -12 2 8 17.445 18.668 3.089 28.381 o -12 2 9 0.003 -3.844 1.308 900.300 o -12 3 3 0.473 3.241 2.832 133.956 o -12 3 4 1.851 28.995 4.936 29.837 o -12 3 5 230.622 238.588 8.830 2.325 o -12 3 6 18.866 23.364 2.797 26.168 o -12 3 7 0.886 1.379 1.174 384.250 o -12 3 8 1.583 3.194 1.531 201.319 o -12 3 9 19.373 26.096 3.755 22.569 o -12 4 3 1.007 10.604 4.936 44.206 o -12 4 4 16.750 56.492 10.421 8.394 o -12 4 5 57.433 67.513 6.433 7.953 o -12 4 6 11.126 23.401 8.593 13.779 o -12 4 7 5.648 15.611 3.536 44.065 o -12 4 8 12.020 10.657 2.190 45.598 o -12 4 9 4.057 8.237 2.456 78.260 o -12 5 3 34.688 41.532 3.941 14.239 o -12 5 4 2.898 11.335 4.571 43.822 o -12 5 5 37.355 42.360 5.726 11.800 o -12 5 6 6.377 9.702 4.388 40.570 o -12 5 7 10.380 7.795 4.454 35.290 o -12 5 8 0.056 2.961 2.194 209.079 o -12 6 3 8.897 20.842 6.216 21.750 o -12 6 4 1.796 20.111 5.485 30.925 o -12 6 5 0.861 5.302 3.656 80.213 o -12 6 6 1.868 7.535 1.714 124.711 o -12 6 7 18.241 35.717 5.668 16.675 o -11 -3 4 10.158 2.775 1.029 75.681 o -11 -3 5 8.395 6.089 1.742 69.555 o -11 -3 6 8.815 10.445 3.052 47.030 o -11 -3 7 0.945 -1.399 1.847 309.208 o -11 -3 8 11.935 14.774 2.299 41.002 o -11 -3 9 80.411 69.568 4.390 7.274 o -11 -2 2 0.443 -0.443 0.657 1315.520 o -11 -2 3 10.151 10.802 2.063 50.944 o -11 -2 4 2.086 3.303 2.413 127.801 o -11 -2 5 0.832 -1.659 1.108 588.853 o -11 -2 6 0.172 -1.308 0.799 1668.090 o -11 -2 7 0.012 -0.941 1.734 510.239 o -11 -2 8 5.173 4.813 1.336 106.618 o -11 -2 9 125.452 127.119 5.936 4.388 o -11 -2 10 21.908 20.032 2.074 26.719 o -11 -1 1 1.059 2.026 2.323 174.113 o -11 -1 2 0.696 -1.074 0.943 751.358 o -11 -1 3 8.518 7.758 2.583 56.272 o -11 -1 4 2.860 1.674 3.527 82.889 o -11 -1 5 2.959 1.636 0.981 211.801 o -11 -1 6 2.474 -0.301 1.689 220.700 o -11 -1 7 34.011 31.057 3.447 16.273 o -11 -1 8 0.152 -0.666 1.655 515.862 o -11 -1 9 12.693 17.078 1.737 40.011 o -11 -1 10 9.136 5.006 1.742 68.522 o -11 -1 11 0.046 -5.198 1.782 474.814 o -11 0 1 21.210 28.897 3.829 20.752 o -11 0 2 1.945 2.895 1.812 172.198 o -11 0 3 6.338 4.254 2.454 76.427 o -11 0 4 0.846 2.819 1.161 301.185 o -11 0 5 10.584 11.389 1.938 49.761 o -11 0 6 133.849 136.132 5.383 4.204 o -11 0 7 3.646 1.725 1.091 176.567 o -11 0 8 15.384 8.408 2.322 40.410 o -11 0 9 4.896 6.934 1.289 98.513 o -11 0 10 0.173 -2.321 2.345 266.826 o -11 0 11 23.714 25.438 4.402 19.202 o -11 1 1 82.412 81.927 7.911 5.734 o -11 1 2 0.000 2.391 1.926 270.283 o -11 1 3 119.582 137.414 5.190 4.509 o -11 1 4 402.892 407.380 11.078 1.356 o -11 1 5 34.836 32.083 2.655 16.730 o -11 1 6 1.041 2.246 1.322 287.476 o -11 1 7 19.324 15.450 2.038 31.210 o -11 1 8 16.696 15.933 3.389 29.244 o -11 1 9 0.315 0.799 1.940 311.346 o -11 1 10 44.001 46.173 4.575 11.581 o -11 1 11 0.328 4.567 2.541 142.550 o -11 1 12 8.118 3.291 4.753 39.645 o -11 2 1 6.285 7.172 1.178 86.142 o -11 2 2 178.030 195.652 5.292 3.150 o -11 2 3 22.523 20.417 2.236 25.803 o -11 2 4 4.340 12.178 2.150 69.883 o -11 2 5 11.998 17.311 1.955 40.184 o -11 2 6 210.905 225.654 9.658 2.429 o -11 2 7 41.983 44.198 6.017 10.756 o -11 2 8 3.887 3.567 1.808 120.915 o -11 2 9 6.379 6.359 2.345 71.769 o -11 2 10 14.576 18.493 3.747 28.620 o -11 2 11 13.367 16.784 3.234 32.916 o -11 2 12 3.109 2.891 2.285 120.133 o -11 3 1 0.000 2.424 0.918 537.294 o -11 3 2 0.207 2.690 1.090 407.661 o -11 3 3 170.261 180.698 8.108 3.074 o -11 3 4 353.140 361.195 9.578 1.566 o -11 3 5 9.275 10.647 3.087 45.428 o -11 3 6 22.388 23.848 3.807 21.452 o -11 3 7 75.215 78.307 5.066 7.106 o -11 3 8 4.160 3.351 1.766 119.737 o -11 3 9 8.486 10.382 2.443 53.464 o -11 3 10 31.095 29.064 3.970 16.746 o -11 3 11 2.818 2.306 2.454 121.827 o -11 4 1 12.171 26.506 13.712 6.697 o -11 4 2 1.601 3.104 1.700 188.962 o -11 4 3 91.248 104.935 5.259 5.752 o -11 4 4 12.042 9.599 1.635 49.986 o -11 4 5 2.984 2.701 1.874 143.337 o -11 4 6 20.558 24.111 3.056 24.134 o -11 4 7 86.008 100.563 6.697 5.652 o -11 4 8 26.674 27.933 3.546 19.143 o -11 4 9 0.834 -0.201 1.141 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19.522 o 9 -3 0 383.071 390.543 7.763 1.500 o 9 -3 1 25.805 23.776 2.328 22.519 o 9 -3 2 54.580 45.637 3.500 10.879 o 9 -3 3 0.117 1.278 1.610 400.425 o 9 -3 4 18.338 16.376 2.698 29.854 o 9 -3 5 26.286 48.083 6.764 11.871 o 9 -2 0 54.153 49.702 2.807 11.009 o 9 -2 1 38.095 37.688 2.920 14.857 o 9 -2 2 3.183 2.410 1.786 146.519 o 9 -2 3 81.197 78.063 4.916 6.844 o 9 -2 4 46.817 52.221 4.539 10.814 o 9 -2 5 1.414 11.561 2.375 87.262 o 9 -1 0 24.371 20.107 2.045 24.962 o 9 -1 1 7.375 6.935 1.388 76.843 o 9 -1 2 7.267 12.134 2.093 57.791 o 9 -1 3 64.041 65.524 4.091 8.630 o 9 -1 4 0.724 1.585 1.619 299.171 o 9 0 0 13.783 11.859 1.719 42.913 o 9 0 1 63.159 61.229 3.079 9.269 o 9 0 2 0.001 0.835 0.730 1252.190 o 9 0 3 131.029 129.679 6.055 4.232 o 9 0 4 4.698 5.452 2.022 93.427 o 9 1 0 1.356 1.132 0.825 395.844 o 9 1 1 51.709 56.618 2.996 10.795 o 9 1 2 3.781 5.527 1.531 116.040 o 9 1 3 32.349 31.216 3.945 16.099 o 9 2 0 0.456 -0.553 1.225 681.724 o 9 2 1 119.995 114.791 4.682 4.838 o 9 2 2 23.290 26.626 2.300 23.179 o 9 2 3 5.986 12.204 1.813 65.590 o 9 3 0 34.232 29.345 2.886 17.106 o 9 3 1 1.497 1.138 0.655 396.968 o 9 3 2 0.907 1.332 1.151 389.903 o 9 4 0 3.524 1.598 1.138 180.851 o 9 4 1 36.287 35.100 3.555 15.014 o 9 5 0 49.001 52.005 3.583 11.148 o 10 -9 0 33.998 37.323 4.390 14.364 o 10 -9 1 15.280 65.483 4.847 14.855 o 10 -8 0 18.055 37.249 5.119 17.616 o 10 -8 1 7.439 44.271 3.929 23.762 o 10 -8 2 2.068 17.734 2.560 62.086 o 10 -7 0 22.289 45.548 4.966 15.417 o 10 -7 1 0.119 4.022 2.925 127.360 o 10 -7 2 23.789 71.445 5.119 12.264 o 10 -6 0 51.825 50.314 4.380 10.421 o 10 -6 1 0.361 7.953 2.456 116.111 o 10 -6 2 0.925 1.451 3.748 91.867 o 10 -6 3 37.320 31.733 3.069 15.671 o 10 -5 0 34.969 29.790 4.038 15.464 o 10 -5 1 6.464 4.294 2.518 74.349 o 10 -5 2 10.437 10.456 1.823 52.218 o 10 -5 3 28.019 29.583 4.344 17.044 o 10 -4 0 27.740 25.030 3.201 19.875 o 10 -4 1 43.894 40.824 3.530 12.846 o 10 -4 2 178.707 191.833 11.314 2.626 o 10 -4 3 152.548 188.334 9.473 3.069 o 10 -3 0 22.927 22.779 2.351 24.501 o 10 -3 1 5.934 2.133 1.346 114.035 o 10 -3 2 30.725 29.782 3.709 17.122 o 10 -3 3 41.933 53.730 3.533 12.087 o 10 -2 0 1.315 3.022 1.073 262.399 o 10 -2 1 9.317 13.313 2.101 49.525 o 10 -2 2 19.775 21.999 2.673 26.303 o 10 -2 3 59.951 70.977 4.164 8.711 o 10 -1 0 13.799 7.986 1.210 49.371 o 10 -1 1 11.080 11.246 1.875 49.017 o 10 -1 2 3.779 10.057 1.646 88.414 o 10 0 0 9.503 8.040 1.526 61.798 o 10 0 1 0.697 2.660 1.791 233.886 o 10 0 2 14.342 35.273 3.958 22.300 o 10 1 0 6.827 2.989 0.683 107.160 o 10 1 1 12.533 11.823 1.854 44.964 o 10 2 0 127.380 138.160 6.020 4.226 o 10 2 1 0.006 3.636 0.731 430.106 o 10 3 0 0.108 1.317 1.119 608.901 o 11 -5 0 16.277 50.094 4.571 17.133 o 11 -3 0 0.025 1.256 1.761 368.171 o 11 -3 1 59.399 57.928 4.125 9.354 o 11 -2 0 36.756 48.924 3.384 13.543 o 11 -1 0 14.684 15.691 2.664 34.433 o 11 0 0 1.221 5.076 1.034 209.590 o ; loop_ _space_group_symop_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_refinement_flags_posn O2 O 0.4204(2) 0.36012(17) 0.80588(18) 0.0357(5) Uani 1.000000 . C2 C 0.9370(3) 0.2101(3) 0.8399(3) 0.0394(7) Uani 1.000000 . H2a H 1.0410(3) 0.2465(3) 0.8812(3) 0.0473(8) Uiso 1.000000 R O1 O 0.0726(2) 0.68290(19) 0.71425(19) 0.0417(5) Uani 1.000000 . H1 H 0.124(3) 0.758(3) 0.766(3) 0.0625(8) Uiso 1.000000 GR N1 N 0.7350(2) 0.0572(2) 0.6862(2) 0.0300(5) Uani 1.000000 . H2 H 0.386(4) 0.306(3) 0.735(3) 0.054(10) Uiso 1.000000 . C1 C 0.8807(3) 0.1112(3) 0.7497(3) 0.0373(7) Uani 1.000000 . H1a H 0.9488(3) 0.0793(3) 0.7314(3) 0.0448(8) Uiso 1.000000 R N2 N 0.3779(2) 0.06086(18) 0.68668(18) 0.0219(4) Uani 1.000000 . N3 N 0.2057(2) -0.08780(19) 0.85337(19) 0.0267(5) Uani 1.000000 . O3 O 0.1758(3) 0.30195(19) 0.1411(2) 0.0471(6) Uani 1.000000 . H3a H 0.233(4) 0.2952(4) 0.218(3) 0.0707(8) Uiso 1.000000 GR C3 C 0.8386(3) 0.2551(3) 0.8689(3) 0.0366(7) Uani 1.000000 . H3 H 0.8738(3) 0.3223(3) 0.9316(3) 0.0439(8) Uiso 1.000000 R N4 N 0.2487(2) 0.25737(18) 0.57187(18) 0.0224(4) Uani 1.000000 . C4 C 0.6880(3) 0.2007(2) 0.8050(2) 0.0283(6) Uani 1.000000 . H4 H 0.6181(3) 0.2298(2) 0.8234(2) 0.0340(7) Uiso 1.000000 R N5 N 0.4036(3) 0.3097(2) 0.36940(19) 0.0302(5) Uani 1.000000 . C5 C 0.6405(3) 0.1029(2) 0.7137(2) 0.0235(5) Uani 1.000000 . C6 C 0.4782(3) 0.0455(2) 0.6330(2) 0.0245(5) Uani 1.000000 . H6a H 0.4626(3) -0.0430(2) 0.6095(2) 0.0294(6) Uiso 1.000000 R H6b H 0.4520(3) 0.0821(2) 0.5603(2) 0.0294(6) Uiso 1.000000 R C9 C 0.3619(3) 0.1171(2) 0.9231(2) 0.0295(6) Uani 1.000000 . H9 H 0.4372(3) 0.1806(2) 0.9192(2) 0.0354(7) Uiso 1.000000 R C8 C 0.3142(3) 0.0037(2) 0.8519(2) 0.0239(5) Uani 1.000000 . C7 C 0.3841(3) -0.0244(2) 0.7711(2) 0.0280(6) Uani 1.000000 . H7a H 0.3325(3) -0.1087(2) 0.7263(2) 0.0336(7) Uiso 1.000000 R H7b H 0.4891(3) -0.0209(2) 0.8198(2) 0.0336(7) Uiso 1.000000 R C010 C 0.1866(5) 0.4255(3) 0.1332(4) 0.0716(12) Uani 1.000000 . H01a H 0.141(3) 0.4339(5) 0.0498(4) 0.1074(19) Uiso 1.000000 GR H01b H 0.135(3) 0.4565(8) 0.175(2) 0.1074(19) Uiso 1.000000 GR H01c H 0.2914(5) 0.4724(5) 0.169(2) 0.1074(19) Uiso 1.000000 GR C20 C 0.5258(3) 0.3023(3) 0.3558(3) 0.0355(7) Uani 1.000000 . H20 H 0.5173(3) 0.2858(3) 0.2775(3) 0.0427(8) Uiso 1.000000 R C21 C 0.1346(3) 0.2863(2) 0.6052(2) 0.0258(5) Uani 1.000000 . H21a H 0.0474(3) 0.2878(2) 0.5327(2) 0.0310(7) Uiso 1.000000 R H21b H 0.1017(3) 0.2210(2) 0.6447(2) 0.0310(7) Uiso 1.000000 R C22 C 0.1917(3) 0.4080(2) 0.6871(2) 0.0233(5) Uani 1.000000 . C23 C 0.3307(3) 0.4380(2) 0.7846(2) 0.0250(5) Uani 1.000000 . C24 C 0.3792(3) 0.5475(2) 0.8622(2) 0.0308(6) Uani 1.000000 . H24 H 0.4719(3) 0.5668(2) 0.9298(2) 0.0369(7) Uiso 1.000000 R C25 C 0.2931(3) 0.6293(2) 0.8420(2) 0.0304(6) Uani 1.000000 . H25 H 0.3271(3) 0.7037(2) 0.8961(2) 0.0365(7) Uiso 1.000000 R C26 C 0.1580(3) 0.6029(2) 0.7433(2) 0.0275(6) Uani 1.000000 . C27 C 0.1082(3) 0.4915(2) 0.6672(2) 0.0256(5) Uani 1.000000 . H27 H 0.0149(3) 0.4722(2) 0.6002(2) 0.0307(7) Uiso 1.000000 R C19 C 0.6623(3) 0.3173(2) 0.4485(3) 0.0336(6) Uani 1.000000 . H19 H 0.7450(3) 0.3096(2) 0.4346(3) 0.0404(8) Uiso 1.000000 R C18 C 0.6759(3) 0.3438(2) 0.5620(3) 0.0328(6) Uani 1.000000 . H18 H 0.7686(3) 0.3554(2) 0.6282(3) 0.0394(7) Uiso 1.000000 R C17 C 0.5524(3) 0.3531(2) 0.5779(2) 0.0289(6) Uani 1.000000 . H17 H 0.5597(3) 0.3723(2) 0.6554(2) 0.0347(7) Uiso 1.000000 R C16 C 0.4176(3) 0.3345(2) 0.4801(2) 0.0235(5) Uani 1.000000 . C15 C 0.2800(3) 0.3419(2) 0.4944(2) 0.0273(6) Uani 1.000000 . H15a H 0.1942(3) 0.3211(2) 0.4157(2) 0.0327(7) Uiso 1.000000 R H15b H 0.2933(3) 0.4268(2) 0.5291(2) 0.0327(7) Uiso 1.000000 R C14 C 0.2014(3) 0.1292(2) 0.5122(2) 0.0244(5) Uani 1.000000 . H14a H 0.0949(3) 0.1081(2) 0.4570(2) 0.0293(6) Uiso 1.000000 R H14b H 0.2575(3) 0.1213(2) 0.4647(2) 0.0293(6) Uiso 1.000000 R C13 C 0.2247(3) 0.0383(2) 0.5972(2) 0.0253(5) Uani 1.000000 . H13a H 0.1927(3) -0.0449(2) 0.5506(2) 0.0303(7) Uiso 1.000000 R H13b H 0.1599(3) 0.0399(2) 0.6382(2) 0.0303(7) Uiso 1.000000 R C12 C 0.1463(3) -0.0665(2) 0.9286(2) 0.0301(6) Uani 1.000000 . H12 H 0.0698(3) -0.1306(2) 0.9303(2) 0.0361(7) Uiso 1.000000 R C11 C 0.1903(3) 0.0429(3) 1.0031(2) 0.0320(6) Uani 1.000000 . H11 H 0.1466(3) 0.0535(3) 1.0560(2) 0.0384(7) Uiso 1.000000 R C10 C 0.2996(3) 0.1374(2) 0.9996(2) 0.0321(6) Uani 1.000000 . H10 H 0.3311(3) 0.2147(2) 1.0489(2) 0.0385(7) Uiso 1.000000 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 O2 0.0378(11) 0.0283(10) 0.0329(11) 0.0151(9) 0.0043(9) 0.0026(9) C2 0.0241(14) 0.0448(18) 0.0415(17) 0.0081(12) 0.0066(12) 0.0107(14) O1 0.0347(11) 0.0330(11) 0.0490(13) 0.0162(9) 0.0077(9) -0.0045(9) N1 0.0285(12) 0.0355(13) 0.0315(12) 0.0130(10) 0.0158(10) 0.0087(10) C1 0.0288(15) 0.0492(18) 0.0406(17) 0.0178(13) 0.0172(13) 0.0122(14) N2 0.0250(10) 0.0190(10) 0.0263(11) 0.0067(8) 0.0150(9) 0.0048(8) N3 0.0315(12) 0.0228(11) 0.0320(12) 0.0108(9) 0.0174(10) 0.0081(9) O3 0.0505(13) 0.0413(12) 0.0365(12) 0.0114(10) 0.0084(10) -0.0069(9) C3 0.0359(15) 0.0329(16) 0.0311(15) 0.0077(12) 0.0057(12) 0.0040(12) N4 0.0224(10) 0.0190(10) 0.0264(11) 0.0055(8) 0.0113(9) 0.0025(8) C4 0.0299(14) 0.0282(14) 0.0290(14) 0.0114(11) 0.0127(11) 0.0072(11) N5 0.0377(13) 0.0261(12) 0.0273(12) 0.0089(10) 0.0142(10) 0.0055(9) C5 0.0266(13) 0.0244(13) 0.0239(13) 0.0101(10) 0.0127(10) 0.0110(10) C6 0.0259(13) 0.0240(13) 0.0274(13) 0.0068(10) 0.0153(11) 0.0038(10) C9 0.0364(15) 0.0243(13) 0.0313(14) 0.0065(11) 0.0187(12) 0.0060(11) C8 0.0295(13) 0.0218(12) 0.0266(13) 0.0122(10) 0.0144(11) 0.0113(10) C7 0.0369(15) 0.0232(13) 0.0353(15) 0.0144(11) 0.0227(12) 0.0103(11) C010 0.074(3) 0.047(2) 0.056(2) 0.0108(19) -0.004(2) -0.0077(18) C20 0.0473(17) 0.0325(15) 0.0352(16) 0.0101(13) 0.0265(14) 0.0060(12) C21 0.0216(12) 0.0245(13) 0.0312(14) 0.0044(10) 0.0128(11) 0.0001(11) C22 0.0237(12) 0.0227(12) 0.0250(13) 0.0043(10) 0.0131(10) 0.0035(10) C23 0.0302(13) 0.0217(13) 0.0247(13) 0.0102(10) 0.0110(11) 0.0089(10) C24 0.0311(14) 0.0289(14) 0.0224(13) 0.0053(11) 0.0033(11) 0.0039(11) C25 0.0364(15) 0.0235(13) 0.0249(13) 0.0054(11) 0.0091(12) -0.0004(11) C26 0.0275(13) 0.0262(13) 0.0315(14) 0.0102(11) 0.0138(11) 0.0055(11) C27 0.0201(12) 0.0287(13) 0.0253(13) 0.0043(10) 0.0089(10) 0.0007(10) C19 0.0358(15) 0.0241(14) 0.0485(17) 0.0056(11) 0.0265(14) 0.0085(12) C18 0.0266(14) 0.0305(14) 0.0396(16) 0.0033(11) 0.0139(12) 0.0128(12) C17 0.0317(14) 0.0287(14) 0.0270(14) 0.0059(11) 0.0139(11) 0.0086(11) C16 0.0298(13) 0.0145(11) 0.0283(13) 0.0064(10) 0.0136(11) 0.0079(10) C15 0.0318(14) 0.0265(13) 0.0275(14) 0.0142(11) 0.0125(11) 0.0103(11) C14 0.0206(12) 0.0236(13) 0.0250(13) 0.0049(10) 0.0074(10) -0.0017(10) C13 0.0223(12) 0.0183(12) 0.0333(14) 0.0003(10) 0.0139(11) -0.0026(10) C12 0.0325(14) 0.0289(14) 0.0377(15) 0.0100(11) 0.0221(12) 0.0123(12) C11 0.0383(15) 0.0380(16) 0.0314(15) 0.0166(12) 0.0227(13) 0.0096(12) C10 0.0391(15) 0.0291(14) 0.0279(14) 0.0098(12) 0.0147(12) 0.0008(11) loop_ _atom_type_symbol _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_Cromer_Mann_a1 _atom_type_scat_Cromer_Mann_a2 _atom_type_scat_Cromer_Mann_a3 _atom_type_scat_Cromer_Mann_a4 _atom_type_scat_Cromer_Mann_b1 _atom_type_scat_Cromer_Mann_b2 _atom_type_scat_Cromer_Mann_b3 _atom_type_scat_Cromer_Mann_b4 _atom_type_scat_Cromer_Mann_c _atom_type_scat_source _atom_type_scat_dispersion_source H 0.00000 0.00000 0.49300 0.32291 0.14019 0.04081 10.51090 26.12570 3.14236 57.79970 0.0030380000826 'International Tables Volume C Table 6.1.1.4 (pp. 500-502)' 'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2' C 0.00347 0.00161 2.31000 1.02000 1.58860 0.86500 20.84390 10.20750 0.56870 51.65120 0.215599998832 'International Tables Volume C Table 6.1.1.4 (pp. 500-502)' 'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2' O 0.01158 0.00611 3.04850 2.28680 1.54630 0.86700 13.27710 5.70110 0.32390 32.90890 0.250800013542 'International Tables Volume C Table 6.1.1.4 (pp. 500-502)' 'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2' N 0.00653 0.00323 12.21260 3.13220 2.01250 1.16630 0.00570 9.89330 28.99750 0.58260 -11.5290002823 'International Tables Volume C Table 6.1.1.4 (pp. 500-502)' 'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2' 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 C23 O2 H2 106(2) . . C1 C2 H2a 120.83(17) . . C3 C2 H2a 120.83(17) . . C3 C2 C1 118.3(3) . . C26 O1 H1 109.5 . . C5 N1 C1 117.3(2) . . N1 C1 C2 123.9(3) . . H1a C1 C2 118.06(17) . . H1a C1 N1 118.06(16) . . C7 N2 C6 108.77(19) . . C13 N2 C6 111.79(19) . . C13 N2 C7 109.83(19) . . C12 N3 C8 117.7(2) . . C010 O3 H3a 109.5 . . H3 C3 C2 120.57(17) . . C4 C3 C2 118.9(3) . . C4 C3 H3 120.57(17) . . C15 N4 C21 109.78(19) . . C14 N4 C21 111.19(18) . . C14 N4 C15 110.49(19) . . H4 C4 C3 120.48(17) . . C5 C4 C3 119.0(2) . . C5 C4 H4 120.48(15) . . C16 N5 C20 117.5(2) . . C4 C5 N1 122.6(2) . . C6 C5 N1 115.0(2) . . C6 C5 C4 122.3(2) . . C5 C6 N2 113.9(2) . . H6a C6 N2 108.78(12) . . H6a C6 C5 108.78(13) . . H6b C6 N2 108.78(13) . . H6b C6 C5 108.78(13) . . H6b C6 H6a 107.7 . . C8 C9 H9 120.17(15) . . C10 C9 H9 120.17(16) . . C10 C9 C8 119.7(2) . . C9 C8 N3 121.8(2) . . C7 C8 N3 116.7(2) . . C7 C8 C9 121.4(2) . . C8 C7 N2 113.1(2) . . H7a C7 N2 108.96(13) . . H7a C7 C8 108.96(14) . . H7b C7 N2 108.96(13) . . H7b C7 C8 108.96(14) . . H7b C7 H7a 107.8 . . H01a C010 O3 109.5 . . H01b C010 O3 109.5 . . H01b C010 H01a 109.5 . . H01c C010 O3 109.5 . . H01c C010 H01a 109.5 . . H01c C010 H01b 109.5 . . H20 C20 N5 118.06(16) . . C19 C20 N5 123.9(3) . . C19 C20 H20 118.06(16) . . H21a C21 N4 109.16(13) . . H21b C21 N4 109.16(13) . . H21b C21 H21a 107.9 . . C22 C21 N4 112.22(19) . . C22 C21 H21a 109.16(14) . . C22 C21 H21b 109.16(13) . . C23 C22 C21 120.1(2) . . C27 C22 C21 120.9(2) . . C27 C22 C23 119.0(2) . . C22 C23 O2 121.3(2) . . C24 C23 O2 119.0(2) . . C24 C23 C22 119.7(2) . . H24 C24 C23 119.73(15) . . C25 C24 C23 120.5(2) . . C25 C24 H24 119.73(15) . . H25 C25 C24 119.80(15) . . C26 C25 C24 120.4(2) . . C26 C25 H25 119.80(15) . . C25 C26 O1 123.2(2) . . C27 C26 O1 117.9(2) . . C27 C26 C25 118.8(2) . . C26 C27 C22 121.5(2) . . H27 C27 C22 119.26(14) . . H27 C27 C26 119.26(15) . . H19 C19 C20 120.89(16) . . C18 C19 C20 118.2(3) . . C18 C19 H19 120.89(16) . . H18 C18 C19 120.59(16) . . C17 C18 C19 118.8(3) . . C17 C18 H18 120.59(16) . . H17 C17 C18 120.12(16) . . C16 C17 C18 119.8(2) . . C16 C17 H17 120.12(15) . . C17 C16 N5 121.8(2) . . C15 C16 N5 117.1(2) . . C15 C16 C17 121.1(2) . . C16 C15 N4 111.43(19) . . H15a C15 N4 109.34(13) . . H15a C15 C16 109.34(14) . . H15b C15 N4 109.34(13) . . H15b C15 C16 109.34(13) . . H15b C15 H15a 108.0 . . H14a C14 N4 108.85(12) . . H14b C14 N4 108.85(12) . . H14b C14 H14a 107.7 . . C13 C14 N4 113.6(2) . . C13 C14 H14a 108.85(13) . . C13 C14 H14b 108.85(13) . . C14 C13 N2 114.72(19) . . H13a C13 N2 108.59(12) . . H13a C13 C14 108.59(13) . . H13b C13 N2 108.59(12) . . H13b C13 C14 108.59(13) . . H13b C13 H13a 107.6 . . H12 C12 N3 118.27(15) . . C11 C12 N3 123.5(2) . . C11 C12 H12 118.27(15) . . H11 C11 C12 120.71(15) . . C10 C11 C12 118.6(2) . . C10 C11 H11 120.71(16) . . C11 C10 C9 118.7(2) . . H10 C10 C9 120.64(16) . . H10 C10 C11 120.64(16) . . loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 O2 H2 0.93(4) . O2 C23 1.379(3) . C2 H2a 0.9500 . C2 C1 1.376(4) . C2 C3 1.381(4) . O1 H1 0.94(4) . O1 C26 1.368(3) . N1 C1 1.343(3) . N1 C5 1.340(3) . C1 H1a 0.9500 . N2 C6 1.467(3) . N2 C7 1.474(3) . N2 C13 1.467(3) . N3 C8 1.347(3) . N3 C12 1.346(3) . O3 H3a 0.92(4) . O3 C010 1.400(4) . C3 H3 0.9500 . C3 C4 1.384(4) . N4 C21 1.481(3) . N4 C15 1.484(3) . N4 C14 1.474(3) . C4 H4 0.9500 . C4 C5 1.388(4) . N5 C20 1.347(4) . N5 C16 1.339(3) . C5 C6 1.511(3) . C6 H6a 0.9900 . C6 H6b 0.9900 . C9 H9 0.9500 . C9 C8 1.385(4) . C9 C10 1.380(4) . C8 C7 1.510(3) . C7 H7a 0.9900 . C7 H7b 0.9900 . C010 H01a 0.9800 . C010 H01b 0.9800 . C010 H01c 0.9800 . C20 H20 0.9500 . C20 C19 1.376(4) . C21 H21a 0.9900 . C21 H21b 0.9900 . C21 C22 1.511(3) . C22 C23 1.401(3) . C22 C27 1.387(4) . C23 C24 1.386(4) . C24 H24 0.9500 . C24 C25 1.388(4) . C25 H25 0.9500 . C25 C26 1.387(4) . C26 C27 1.392(3) . C27 H27 0.9500 . C19 H19 0.9500 . C19 C18 1.377(4) . C18 H18 0.9500 . C18 C17 1.380(4) . C17 H17 0.9500 . C17 C16 1.388(4) . C16 C15 1.508(3) . C15 H15a 0.9900 . C15 H15b 0.9900 . C14 H14a 0.9900 . C14 H14b 0.9900 . C14 C13 1.521(4) . C13 H13a 0.9900 . C13 H13b 0.9900 . C12 H12 0.9500 . C12 C11 1.372(4) . C11 H11 0.9500 . C11 C10 1.384(4) . C10 H10 0.9500 . 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 O1 H1 N3 0.94(4) 1.82(4) 2.759(3) 172.4(7) 1_565 O2 H2 N4 0.93(4) 1.91(4) 2.745(3) 148(3) . O3 H3a N5 0.92(4) 1.96(4) 2.854(3) 162(3) . loop_ _refln_index_h _refln_index_k _refln_index_l _refln_F_squared_meas _refln_F_squared_sigma -1 0 0 1092.09 33.5 -1 0 0 1077.99 34.1 -1 0 0 1074.59 33.9 -1 0 0 1089.89 33.9 -1 0 0 1111.79 33.6 -1 0 0 1281.17 34.1 -1 0 0 1232.98 33.8 1 0 0 1085.19 33.9 -2 0 0 3696.13 117.59 -2 0 0 3693.73 115.39 -2 0 0 3686.03 113.89 -2 0 0 3693.23 112.59 -2 0 0 3955.4 114.09 -2 0 0 3793.82 112.79 -2 0 0 3801.72 113.09 2 0 0 3738.03 114.99 2 0 0 3722.13 113.89 -3 0 0 140.49 5.7 -3 0 0 139.49 6.3 -3 0 0 134.39 5.8 -3 0 0 138.69 5.4 -3 0 0 135.39 6.2 -3 0 0 141.59 5.7 -3 0 0 135.19 6.5 3 0 0 139.49 5.6 3 0 0 136.49 5.8 -4 0 0 789.82 26 -4 0 0 819.82 27 -4 0 0 803.72 26.8 -4 0 0 796.22 25.5 -4 0 0 793.22 25.8 -4 0 0 797.92 27.3 4 0 0 788.52 26.1 4 0 0 805.12 25.9 4 0 0 805.92 25.8 -5 0 0 20.5 2.3 -5 0 0 22 2.9 -5 0 0 19.8 2.8 -5 0 0 22.5 2.8 -5 0 0 23.8 2.7 5 0 0 23.6 2.9 5 0 0 22.3 2.7 5 0 0 20.3 2.6 -6 0 0 36.9 3.2 -6 0 0 39.4 3.8 -6 0 0 37.2 4.1 -6 0 0 42.5 4.3 -6 0 0 40.5 3.9 6 0 0 38.3 3.7 6 0 0 43.9 4.2 6 0 0 37.4 3.8 -7 0 0 3.6 2.1 -7 0 0 4.5 1.9 -7 0 0 3.5 1.7 -7 0 0 5.5 2.4 -7 0 0 2.9 1.5 7 0 0 1.8 1.9 7 0 0 3.8 2.5 7 0 0 4.2 2.2 7 0 0 5.6 2.1 -8 0 0 40.1 5 -8 0 0 36 4.1 -8 0 0 45.7 4.4 -8 0 0 39 5 8 0 0 39.6 4.9 8 0 0 38.4 5.1 8 0 0 29.3 4.1 8 0 0 40.5 4.5 -9 0 0 4.9 2.3 -9 0 0 6.2 2.8 -9 0 0 6.2 1.9 9 0 0 8.3 2.4 9 0 0 5.8 2.1 9 0 0 7.6 2.7 -10 0 0 6.1 2.5 -10 0 0 5.1 1.5 -10 0 0 9.1 2.7 10 0 0 2.4 1.9 10 0 0 3.9 1.8 10 0 0 2.8 0.9 -11 0 0 3.1 1.7 -11 0 0 2.7 0.6 11 -1 0 8 2.4 -11 1 0 7.4 1.4 -11 1 0 13 3.3 10 -1 0 4.8 2 10 -1 0 4.9 1.8 10 -1 0 4 1.4 -10 1 0 6 1.7 -10 1 0 3.4 2.4 -10 1 0 3.2 1.2 9 -1 0 10 2.7 9 -1 0 12.6 3.4 9 -1 0 12.6 2.8 9 -1 0 11.4 3.1 -9 1 0 7.2 3 -9 1 0 12 3.7 -9 1 0 10.7 2.5 8 -1 0 232.58 11.2 8 -1 0 234.68 11.2 8 -1 0 260.47 12.7 8 -1 0 263.17 12.6 -8 1 0 224.98 13.5 -8 1 0 248.48 12.2 -8 1 0 245.28 11 -8 1 0 246.18 13.4 7 -1 0 439.96 17 7 -1 0 450.45 17.2 -7 1 0 460.75 19.4 -7 1 0 459.45 17.2 -7 1 0 447.96 19.2 -7 1 0 452.95 16.8 -7 1 0 479.65 20.4 -7 1 0 439.96 17.7 6 -1 0 119.99 6.3 -6 1 0 123.59 7.6 -6 1 0 123.79 6 -6 1 0 112.29 6.5 -6 1 0 117.49 7.6 -6 1 0 119.09 8.1 -6 1 0 122.79 6.4 -6 1 0 122.29 6.4 5 -1 0 46.8 3.4 5 -1 0 46.4 3.4 -5 1 0 47.6 3.4 -5 1 0 43.8 4.5 -5 1 0 46.7 3.7 -5 1 0 52.69 3.2 -5 1 0 44.1 4.1 -5 1 0 45 4.2 -5 1 0 44.8 3.4 4 -1 0 532.45 18.2 4 -1 0 552.34 17.8 -4 1 0 528.95 19.4 -4 1 0 522.15 20.1 -4 1 0 549.25 17.7 -4 1 0 535.65 19.3 -4 1 0 561.94 17.9 -4 1 0 553.74 18 -4 1 0 532.95 18.3 3 -1 0 153.68 6 -3 1 0 149.59 5.6 -3 1 0 142.49 7.2 -3 1 0 150.28 5.7 -3 1 0 147.29 6.1 -3 1 0 144.19 6.8 -3 1 0 145.69 6 -3 1 0 152.38 5.8 -3 1 0 147.69 6.7 2 -1 0 843.52 25.8 -2 1 0 868.01 25.8 -2 1 0 831.82 27.4 -2 1 0 880.41 26 -2 1 0 818.12 25.8 -2 1 0 812.02 26.7 -2 1 0 855.11 25.5 -2 1 0 821.22 26.6 -2 1 0 860.81 25.5 1 -1 0 77.39 2.8 1 -1 0 75.69 2.6 1 -1 0 77.49 2.8 1 -1 0 83.09 2.5 -1 1 0 70.39 2.7 -1 1 0 71.19 3.5 -1 1 0 78.99 2.8 -1 1 0 74.59 3.2 -1 1 0 79.19 2.9 -1 1 0 76.39 3.4 -1 1 0 77.99 2.5 0 -1 0 224.78 7 0 -1 0 226.18 7 0 -1 0 237.08 7.1 0 -1 0 189.48 6.8 0 1 0 217.78 6.8 0 1 0 209.68 7 0 1 0 215.68 7 -1 -1 0 234.38 7.8 -1 -1 0 225.58 7.6 -1 -1 0 237.58 7.9 -1 -1 0 232.18 7.8 -1 -1 0 229.58 7.9 1 1 0 263.77 8.2 1 1 0 232.58 8 1 1 0 226.48 7.9 -2 -1 0 78.79 3.8 -2 -1 0 85.19 4 -2 -1 0 90.19 3.8 -2 -1 0 82.99 3.6 -2 -1 0 88.89 4 -2 -1 0 88.19 4 2 1 0 86.29 4 2 1 0 96.39 4.3 2 1 0 87.09 4.1 -3 -1 0 176.28 6.9 -3 -1 0 169.98 7 -3 -1 0 158.98 6.8 -3 -1 0 170.88 7.2 -3 -1 0 161.68 6.5 -3 -1 0 171.48 7 3 1 0 185.58 7.5 3 1 0 166.78 6.9 3 1 0 165.48 6.8 -4 -1 0 1289.67 40.9 -4 -1 0 1290.57 41.3 -4 -1 0 1324.77 41.3 -4 -1 0 1303.17 40.7 -4 -1 0 1325.27 40.6 -4 -1 0 1285.07 40.3 4 1 0 1261.27 40.7 4 1 0 1251.07 40.6 4 1 0 1340.97 41.1 -5 -1 0 -2.2 0.8 -5 -1 0 -0.7 0.6 -5 -1 0 -1.4 0.7 -5 -1 0 -1.2 1.1 -5 -1 0 0.7 0.4 5 1 0 -0.2 1.1 5 1 0 -0.3 1.3 5 1 0 -2.1 1.2 -6 -1 0 21.7 3 -6 -1 0 17 3 -6 -1 0 18.8 2.5 -6 -1 0 19.3 2.8 -6 -1 0 18 2.4 6 1 0 19 3.2 6 1 0 18.9 3.1 6 1 0 19.4 3.3 -7 -1 0 -1.4 1.1 -7 -1 0 -0.4 1.5 -7 -1 0 0.1 1.4 7 1 0 0.6 2 7 1 0 -1.8 1.1 7 1 0 -0.8 1.6 7 1 0 0.1 1.8 -8 -1 0 1.9 1.8 -8 -1 0 -1.1 1.1 -8 -1 0 0.7 2.2 8 1 0 -0.9 1.5 8 1 0 -0.6 1.6 8 1 0 -1.1 2.1 8 1 0 2.5 2.1 -9 -1 0 0.7 2.2 -9 -1 0 -0.9 0.9 -9 -1 0 0.3 0.7 9 1 0 1.3 1.3 9 1 0 1.7 1.5 9 1 0 2 1.6 -10 -1 0 1.1 0.5 -10 -1 0 1.7 1.3 10 1 0 1.8 1.8 10 1 0 1.6 1.2 10 1 0 2.4 0.8 11 -2 0 22.7 3 11 -2 0 27.3 4 -11 2 0 32.5 4.7 -11 2 0 27.2 3.7 10 -2 0 2.5 1.5 10 -2 0 2.1 1.1 10 -2 0 -0.1 0.9 -10 2 0 3.4 2.1 -10 2 0 2 2.4 9 -2 0 30.9 3.6 9 -2 0 29.5 4 9 -2 0 23.4 3.4 -9 2 0 28.7 5.6 -9 2 0 28.8 5.4 -9 2 0 22 3.4 -9 2 0 28.3 4.7 8 -2 0 5.1 2 8 -2 0 1.6 1.8 -8 2 0 5 2.2 -8 2 0 4.5 2.2 -8 2 0 -1.1 2.9 -8 2 0 7 3 -8 2 0 4 1.8 -8 2 0 3.9 2.7 7 -2 0 1.4 1.7 -7 2 0 3.4 2 -7 2 0 -1.3 1.8 -7 2 0 1.6 1.6 -7 2 0 -0.3 1.7 -7 2 0 1.6 0.9 -7 2 0 -0.3 1.4 6 -2 0 36.6 3.1 -6 2 0 33.2 2.7 -6 2 0 33 4.1 -6 2 0 31.9 3 -6 2 0 34.2 4.5 -6 2 0 36.6 3.7 -6 2 0 31.1 4 -6 2 0 29.6 2.9 5 -2 0 87.19 4.8 -5 2 0 85.79 6.1 -5 2 0 91.29 4.6 -5 2 0 91.99 5.3 -5 2 0 87.89 6.1 -5 2 0 88.59 4.7 -5 2 0 89.29 6.8 -5 2 0 90.19 5.1 -5 2 0 88.09 4.4 4 -2 0 142.79 6.2 -4 2 0 138.99 8.2 -4 2 0 140.69 7.5 -4 2 0 141.89 5.6 -4 2 0 145.49 5.8 -4 2 0 136.69 6.2 -4 2 0 148.79 6.6 -4 2 0 145.79 7.5 -4 2 0 145.99 6.1 3 -2 0 34.6 2.3 3 -2 0 36.1 2 3 -2 0 37.3 2.2 -3 2 0 35.5 2.3 -3 2 0 33 3.5 -3 2 0 34.6 3.2 -3 2 0 35.8 2.2 -3 2 0 38.4 2 -3 2 0 36.6 3 2 -2 0 1130.19 34.2 2 -2 0 1167.48 34.2 2 -2 0 1147.59 33.7 -2 2 0 1077.79 34.2 -2 2 0 1092.09 35.8 -2 2 0 1118.29 36.4 -2 2 0 1156.78 34.3 -2 2 0 1119.89 33.5 -2 2 0 1140.49 35.4 1 -2 0 555.24 16.2 1 -2 0 537.25 15.9 1 -2 0 538.95 16.7 1 -2 0 532.05 16.7 1 -2 0 525.55 17.2 -1 2 0 519.45 17.9 -1 2 0 518.15 16.7 -1 2 0 522.65 16.7 -1 2 0 578.84 15.9 -1 2 0 516.65 17.9 0 -2 0 9.9 1.1 0 -2 0 9.2 1 0 -2 0 9 0.8 0 -2 0 10 1.1 0 2 0 8.9 1.1 0 2 0 8.5 1.1 0 2 0 8.9 1.6 0 2 0 8.9 0.9 0 2 0 9.8 1.1 -1 -2 0 17.8 1.7 -1 -2 0 11.4 1.2 -1 -2 0 16.6 1.6 -1 -2 0 13 1.1 -1 -2 0 12.9 1.3 1 2 0 12.9 1.8 1 2 0 12.8 1.8 1 2 0 11.6 2 -2 -2 0 4.1 1 -2 -2 0 4.4 1.1 -2 -2 0 3.8 0.9 -2 -2 0 4.6 1.2 -2 -2 0 4.8 1.2 2 2 0 5.4 1.5 2 2 0 5.6 0.5 2 2 0 4.5 0.4 2 2 0 4.4 1.3 2 2 0 4.4 1.3 -3 -2 0 0.6 0.8 -3 -2 0 0.4 0.8 -3 -2 0 0.8 0.7 -3 -2 0 0.8 0.7 -3 -2 0 -0.6 0.8 3 2 0 -1.2 1.1 3 2 0 0.2 0.8 3 2 0 0.4 0.8 -4 -2 0 241.28 9.6 -4 -2 0 243.28 10.1 -4 -2 0 256.87 10.4 -4 -2 0 249.68 10.3 4 2 0 247.68 10.2 4 2 0 244.48 10.4 4 2 0 252.97 10.6 -5 -2 0 32.3 3.3 -5 -2 0 34.4 3.7 -5 -2 0 31.1 2.9 -5 -2 0 31.3 3.6 5 2 0 37.3 3.9 5 2 0 34.6 3.8 5 2 0 36.2 3.4 -6 -2 0 45.9 4.4 -6 -2 0 53.39 4.6 -6 -2 0 47.3 4.1 6 2 0 50.89 4.6 6 2 0 41.6 5.1 6 2 0 50.49 4.9 6 2 0 48.6 4.9 6 2 0 50.59 3.3 -7 -2 0 193.78 10.4 -7 -2 0 185.78 10.2 -7 -2 0 186.98 9.3 7 2 0 174.78 9.7 7 2 0 197.08 10.6 7 2 0 166.38 9.3 7 2 0 178.28 10.9 -8 -2 0 184.58 10.7 -8 -2 0 199.08 11 -8 -2 0 174.48 9.4 8 2 0 180.98 10.4 8 2 0 174.98 10 8 2 0 182.68 11.4 -9 -2 0 1.8 1.4 -9 -2 0 -1.8 1.6 9 2 0 -1.7 0.8 9 2 0 0.5 1.3 9 2 0 0.6 1.6 -10 -2 0 85.19 7.3 -10 -2 0 70.69 5.7 10 2 0 74.69 7.4 10 2 0 73.59 6.4 11 -3 0 2.2 0.7 11 -3 0 0.3 1.4 -11 3 0 -1.5 1.1 10 -3 0 8.5 2.4 10 -3 0 11.4 2.3 10 -3 0 16.5 2.4 10 -3 0 9.3 2.7 -10 3 0 13.1 3.8 9 -3 0 207.88 11.1 9 -3 0 199.58 9.9 9 -3 0 204.28 10.3 -9 3 0 208.48 10.6 -9 3 0 221.28 13.8 -9 3 0 248.18 15 -9 3 0 226.08 11.9 -9 3 0 212.68 13.2 8 -3 0 182.28 9.8 8 -3 0 179.08 8.8 8 -3 0 188.48 9.1 -8 3 0 184.88 12 -8 3 0 193.38 12 -8 3 0 195.58 13.4 -8 3 0 196.08 10.4 -8 3 0 181.78 9.3 7 -3 0 453.45 16.7 7 -3 0 438.66 16.4 -7 3 0 468.55 16.7 -7 3 0 452.85 16.9 -7 3 0 470.05 18 -7 3 0 475.75 21.7 -7 3 0 471.75 20 -7 3 0 438.56 19.9 6 -3 0 13.2 1.8 6 -3 0 11.6 2.1 -6 3 0 11.4 2.2 -6 3 0 12.1 1.9 -6 3 0 11.5 3.3 -6 3 0 10.6 1.9 -6 3 0 11.5 3.2 -6 3 0 11.2 3 5 -3 0 72.89 3.8 5 -3 0 73.59 4.3 5 -3 0 78.79 4.2 -5 3 0 76.79 3.9 -5 3 0 76.49 5.9 -5 3 0 76.09 4.3 -5 3 0 67.29 6.4 -5 3 0 71.09 5.8 -5 3 0 75.69 4.6 4 -3 0 22 2 4 -3 0 20.7 1.6 4 -3 0 21.6 2.1 -4 3 0 20.8 1.9 -4 3 0 19.2 3.1 -4 3 0 21 1.6 -4 3 0 18.4 3.4 -4 3 0 20 3 -4 3 0 19.2 2.1 3 -3 0 77.39 3.8 3 -3 0 75.79 3.8 3 -3 0 75.89 3.2 -3 3 0 82.59 5.9 -3 3 0 81.49 3.9 -3 3 0 78.49 5.2 -3 3 0 75.99 3.9 -3 3 0 80.39 5 -3 3 0 82.09 3.1 2 -3 0 111.19 4.6 2 -3 0 112.49 3.9 2 -3 0 120.79 3.6 2 -3 0 104.89 5.2 2 -3 0 104.09 4.6 -2 3 0 103.49 6 -2 3 0 99.99 6.2 -2 3 0 105.79 4.7 -2 3 0 115.69 3.6 -2 3 0 101.59 4.5 1 -3 0 1331.87 40.3 1 -3 0 1299.27 39.6 1 -3 0 1316.37 39.6 1 -3 0 1327.37 38.9 -1 3 0 1280.07 39.8 -1 3 0 1321.97 38.7 -1 3 0 1242.18 41.3 -1 3 0 1304.07 41.1 -1 3 0 1268.17 39.6 0 -3 0 5967.7 182.78 0 -3 0 6183.08 180.48 0 -3 0 6005.2 183.18 0 -3 0 5989.4 183.08 0 3 0 6167.98 185.48 0 3 0 5983.7 181.88 0 3 0 5889.61 182.28 0 3 0 5881.91 181.88 0 3 0 5770.32 185.08 -1 -3 0 1060.09 33.6 -1 -3 0 1091.19 34.2 -1 -3 0 1196.48 34.6 -1 -3 0 1095.49 34.2 1 3 0 1100.39 34.7 1 3 0 1056.99 34.3 1 3 0 1125.49 33.2 1 3 0 1082.69 35.4 1 3 0 1092.29 34.4 -2 -3 0 41.1 2.9 -2 -3 0 47.7 3.2 -2 -3 0 42.5 2.6 -2 -3 0 41 2.9 -2 -3 0 43.3 3.1 2 3 0 42.1 3.6 2 3 0 44.5 3.3 2 3 0 39.6 3.1 2 3 0 43.5 3.4 -3 -3 0 200.98 8.2 -3 -3 0 210.18 8.8 -3 -3 0 226.58 9 -3 -3 0 213.68 8.8 3 3 0 191.78 9.3 3 3 0 205.18 8.9 3 3 0 209.98 9.1 -4 -3 0 -0.6 1 -4 -3 0 -0.1 0.8 -4 -3 0 -0.4 1.4 -4 -3 0 -1.7 1 4 3 0 0.5 1.4 4 3 0 0.6 1.6 4 3 0 0.5 1.5 4 3 0 -0.3 0.9 4 3 0 0.7 0.3 -5 -3 0 29.2 3.7 -5 -3 0 35.6 3.5 -5 -3 0 33.4 3.1 5 3 0 33 4.4 5 3 0 29.1 3.9 5 3 0 35.6 4.2 5 3 0 31.9 2 5 3 0 36.1 3.9 -6 -3 0 77.49 5.4 -6 -3 0 79.39 6.2 -6 -3 0 76.59 5.8 6 3 0 80.19 6.6 6 3 0 67.79 6 6 3 0 76.59 6.8 6 3 0 66.69 5.7 -7 -3 0 12.3 3.1 -7 -3 0 12.9 2.9 -7 -3 0 16.8 3.4 7 3 0 16.2 4 7 3 0 15.9 4 7 3 0 14.7 3.4 7 3 0 12.5 3.5 -8 -3 0 6.8 2 -8 -3 0 4.3 2.9 8 3 0 5.8 2.7 8 3 0 5 2.3 8 3 0 3 2.5 -9 -3 0 14.2 2.8 -9 -3 0 14 3.8 9 3 0 20 3.7 9 3 0 17.2 3.9 9 3 0 14.2 3.9 -10 -3 0 3 1.6 -10 -3 0 0.7 0.6 10 3 0 -1 1.5 10 3 0 0.5 0.9 10 -4 0 9.9 2.1 10 -4 0 12.2 2.8 -10 4 0 23.2 5.5 -10 4 0 15.3 3.1 -10 4 0 14.8 4.1 9 -4 0 12.4 2.7 9 -4 0 11.2 2.2 9 -4 0 10.8 2.5 9 -4 0 19.1 2.8 -9 4 0 11.5 4.5 -9 4 0 18 5 -9 4 0 12.9 3.1 -9 4 0 17.8 4.8 8 -4 0 403.86 15.6 8 -4 0 397.46 16.3 8 -4 0 401.16 15.2 8 -4 0 409.56 15.8 -8 4 0 422.66 21.8 -8 4 0 399.96 15.8 -8 4 0 401.96 19.6 -8 4 0 397.66 16.4 -8 4 0 396.96 19.2 7 -4 0 143.59 7.5 7 -4 0 146.99 6.9 -7 4 0 134.09 9.7 -7 4 0 153.38 10.2 -7 4 0 159.98 8.2 -7 4 0 155.38 7.1 -7 4 0 159.08 7.7 -7 4 0 161.68 11.9 6 -4 0 38.1 2.7 6 -4 0 40.4 3.4 -6 4 0 38.2 2.8 -6 4 0 36.8 3.1 -6 4 0 37.5 4.9 -6 4 0 36.5 3.4 -6 4 0 37.6 5.3 -6 4 0 35.7 4.6 5 -4 0 38 3.1 5 -4 0 40.9 2.5 5 -4 0 37.7 2.9 -5 4 0 39.1 4.5 -5 4 0 40.4 3.1 -5 4 0 42.7 4.7 -5 4 0 43.2 2.6 -5 4 0 39.5 5.5 -5 4 0 40.4 3.3 4 -4 0 229.78 8.9 4 -4 0 222.08 8.8 4 -4 0 223.68 10.1 4 -4 0 224.28 7.9 -4 4 0 216.18 12 -4 4 0 232.88 9 -4 4 0 216.98 11.1 -4 4 0 235.08 7.7 -4 4 0 224.78 9 3 -4 0 40.6 2.8 3 -4 0 40.6 2.8 3 -4 0 43.9 2.1 3 -4 0 44 3.6 -3 4 0 43.8 1.7 -3 4 0 39 4.2 -3 4 0 42.4 2.8 -3 4 0 43.5 2.9 -3 4 0 40.9 4.6 2 -4 0 19.4 2.3 2 -4 0 19.3 1.9 2 -4 0 20.7 1.3 2 -4 0 19.8 1.9 2 -4 0 23.9 1.2 -2 4 0 19.2 1.8 -2 4 0 18.4 2.9 -2 4 0 19 1.8 -2 4 0 16.8 2.9 -2 4 0 23.1 1 1 -4 0 155.08 5.7 1 -4 0 161.38 6.6 1 -4 0 159.68 7.1 1 -4 0 161.68 6.7 -1 4 0 146.39 8 -1 4 0 151.78 6.5 -1 4 0 158.38 7.8 -1 4 0 168.58 5.8 -1 4 0 150.58 6.7 0 -4 0 260.77 10.3 0 -4 0 265.87 9.9 0 -4 0 275.77 9.2 0 -4 0 273.27 10.2 0 4 0 267.67 10.3 0 4 0 251.87 11.4 0 4 0 256.07 10.3 0 4 0 259.17 10.1 0 4 0 269.17 9.6 -1 -4 0 355.66 12.8 -1 -4 0 325.17 12.4 -1 -4 0 329.67 12.3 -1 -4 0 341.87 11.8 1 4 0 352.96 13.1 1 4 0 330.77 13.8 1 4 0 354.36 11.6 1 4 0 331.77 12.5 1 4 0 354.56 12.9 -2 -4 0 229.68 9 -2 -4 0 222.68 8.5 -2 -4 0 219.88 9.1 2 4 0 212.78 9.2 2 4 0 197.88 9.9 2 4 0 208.38 9.4 2 4 0 217.58 9.4 -3 -4 0 204.58 9 -3 -4 0 204.28 8.4 -3 -4 0 209.78 9 3 4 0 192.38 9.2 3 4 0 190.48 9.8 3 4 0 196.88 9.1 3 4 0 200.18 9.5 -4 -4 0 283.67 11.6 -4 -4 0 260.07 10.7 -4 -4 0 273.07 11.5 4 4 0 258.47 12.2 4 4 0 255.97 11.8 4 4 0 245.48 12 4 4 0 263.97 11.6 -5 -4 0 36.6 4.4 -5 -4 0 35.6 3.8 -5 -4 0 32.9 3.3 5 4 0 33 4 5 4 0 32.2 3.8 5 4 0 32.4 4.3 5 4 0 34 4.5 -6 -4 0 34.2 3.6 -6 -4 0 33.9 4 -6 -4 0 34 4.7 6 4 0 32.8 4.6 6 4 0 30.2 4.6 6 4 0 33.9 5.1 6 4 0 29.2 5.2 -7 -4 0 16 2.6 -7 -4 0 15.8 3.6 -7 -4 0 14.3 3.1 7 4 0 15 3.5 7 4 0 18.5 4.4 7 4 0 16.4 3.5 -8 -4 0 -0.6 0.9 -8 -4 0 -2.1 1.9 8 4 0 -2 1.1 8 4 0 1.3 1.7 8 4 0 0.7 1.5 -9 -4 0 0 1.8 -9 -4 0 2.5 1 9 4 0 0.7 1.1 9 4 0 -0.6 1.5 -11 5 0 27.4 2.5 10 -5 0 17.5 4 10 -5 0 14.3 3.1 -10 5 0 18.6 5.1 9 -5 0 0.9 0.9 9 -5 0 3.7 1.8 9 -5 0 2.6 0.6 9 -5 0 1.5 2 -9 5 0 0.8 2.8 -9 5 0 0.4 1.1 -9 5 0 -3.7 2.2 8 -5 0 694.83 24.4 8 -5 0 684.83 27.1 8 -5 0 672.93 23.2 8 -5 0 655.33 24.2 -8 5 0 695.63 31.3 -8 5 0 694.73 24.3 -8 5 0 667.13 28.8 -8 5 0 705.83 25 7 -5 0 187.68 8.8 7 -5 0 168.48 10.3 7 -5 0 176.78 7.6 -7 5 0 187.98 8.7 -7 5 0 181.48 11.9 -7 5 0 173.48 8.9 -7 5 0 181.28 13.3 6 -5 0 19.7 3.6 6 -5 0 15.2 1.6 6 -5 0 15.6 2.5 -6 5 0 16.9 2.3 -6 5 0 14.6 1.6 -6 5 0 20.5 4.4 -6 5 0 17.7 2.7 -6 5 0 14.5 4 5 -5 0 8.8 1.8 5 -5 0 6.5 2.3 5 -5 0 5.8 1 -5 5 0 4 2.8 -5 5 0 8.4 1 -5 5 0 5.9 1.7 -5 5 0 5.9 2.6 -5 5 0 6.9 1.6 4 -5 0 669.53 23 4 -5 0 713.73 21.8 4 -5 0 688.93 23.1 4 -5 0 684.73 24.7 -4 5 0 677.93 26.6 -4 5 0 683.43 27.2 -4 5 0 706.03 23.1 -4 5 0 733.63 21 -4 5 0 682.93 23.2 3 -5 0 2.9 0.3 3 -5 0 2.6 1.1 3 -5 0 2.9 0.6 3 -5 0 1.1 1.1 3 -5 0 1.6 1.1 -3 5 0 2.5 0.3 -3 5 0 2.3 1 -3 5 0 2.2 1.1 -3 5 0 1 2 -3 5 0 1.1 1.8 2 -5 0 41.3 3.5 2 -5 0 43.2 2.2 2 -5 0 43 3.2 2 -5 0 43.2 3.2 -2 5 0 38.3 4.2 -2 5 0 39.8 3.1 -2 5 0 37.9 4.3 -2 5 0 41.2 3.2 -2 5 0 38.4 1.8 1 -5 0 1.7 1.3 1 -5 0 0.5 1 1 -5 0 0.5 1.1 1 -5 0 0.9 0.5 -1 5 0 2 1.4 -1 5 0 1.3 1.1 -1 5 0 2.1 1.9 -1 5 0 1.3 0.6 -1 5 0 0.6 1.2 0 -5 0 1123.79 34.2 0 -5 0 1123.79 35.9 0 -5 0 1113.99 35.3 0 5 0 1101.79 35.9 0 5 0 1097.79 35.6 0 5 0 1055.19 37.5 0 5 0 1115.19 34.8 0 5 0 1110.89 35.7 -1 -5 0 54.09 3.2 -1 -5 0 59.39 4.1 -1 -5 0 53.89 4 1 5 0 49.3 3.8 1 5 0 56.79 3.2 1 5 0 48 4.2 1 5 0 50.49 4.4 1 5 0 49.8 4.9 -2 -5 0 86.39 5.4 -2 -5 0 90.49 4.8 -2 -5 0 87.99 5.3 2 5 0 86.59 5.6 2 5 0 87.09 6 2 5 0 87.59 6.5 2 5 0 90.99 5.8 -3 -5 0 106.99 6.1 -3 -5 0 98.49 5.4 -3 -5 0 92.29 5.8 3 5 0 102.19 6.6 3 5 0 97.89 6.7 3 5 0 104.89 6.5 3 5 0 97.09 7 -4 -5 0 14.4 2.8 -4 -5 0 9.7 2.7 -4 -5 0 13.8 2.5 4 5 0 11.6 3.2 4 5 0 10 2.8 4 5 0 14.8 3.6 4 5 0 13.4 3.2 -5 -5 0 0 1.5 -5 -5 0 2.9 1.9 -5 -5 0 1.8 1.6 5 5 0 2.7 2.5 5 5 0 1.1 2 5 5 0 0.4 2.7 5 5 0 0.8 2 -6 -5 0 19.5 3.2 -6 -5 0 18.2 2.4 -6 -5 0 16.6 3.5 6 5 0 19.3 4.2 6 5 0 15.2 4.5 6 5 0 20.9 4 6 5 0 19.4 3.1 -7 -5 0 9.3 3.3 -7 -5 0 5 2 7 5 0 6 3 7 5 0 2.3 2.9 7 5 0 6.2 2.7 -8 -5 0 6.8 2 -8 -5 0 10.1 3.3 8 5 0 6.9 2.5 8 5 0 6 2.8 -9 -5 0 26.7 3.2 -9 -5 0 29.5 4.4 9 5 0 28.1 3.9 9 5 0 31 4.7 10 -6 0 21.2 3.7 10 -6 0 26.6 4 -10 6 0 33.7 5.3 -10 6 0 30.7 5 9 -6 0 36 4.1 9 -6 0 35.9 5 -9 6 0 37.9 7.4 -9 6 0 36.6 6.5 -9 6 0 35.4 3.4 -9 6 0 37.7 3.7 8 -6 0 360.06 14.9 8 -6 0 349.27 13.2 8 -6 0 345.67 17.2 -8 6 0 371.26 15.2 -8 6 0 342.47 18.7 -8 6 0 362.46 14.7 -8 6 0 374.76 21.3 7 -6 0 1.4 1.6 7 -6 0 2.4 2.6 7 -6 0 1.7 0.6 -7 6 0 4.4 2.9 -7 6 0 1.3 1.4 -7 6 0 -1.1 3.1 -7 6 0 2 1.7 6 -6 0 7.6 2.1 6 -6 0 9.1 1.2 6 -6 0 10 3.1 -6 6 0 11 3.7 -6 6 0 5.5 3.4 -6 6 0 8.3 2.1 -6 6 0 7.7 2 5 -6 0 56.99 4.2 5 -6 0 57.69 3 5 -6 0 55.39 5.1 -5 6 0 50.89 4 -5 6 0 52.49 6.4 -5 6 0 54.19 6.9 -5 6 0 54.09 4 4 -6 0 94.69 6.4 4 -6 0 91.59 4 4 -6 0 92.29 5.2 -4 6 0 91.89 5.2 -4 6 0 90.49 5.3 -4 6 0 82.89 7.9 -4 6 0 86.39 7.4 3 -6 0 911.61 29.6 3 -6 0 922.41 31.2 3 -6 0 921.81 27.9 -3 6 0 814.72 26.6 -3 6 0 898.21 33.4 -3 6 0 905.51 29.4 -3 6 0 904.21 29.7 -3 6 0 918.51 33.5 2 -6 0 164.18 6.3 2 -6 0 167.18 7.8 2 -6 0 173.18 8.7 -2 6 0 158.78 7.7 -2 6 0 167.48 5.9 -2 6 0 163.68 9.6 -2 6 0 163.18 7.6 -2 6 0 157.58 10 1 -6 0 1176.98 37.3 1 -6 0 1176.98 38.3 1 -6 0 1090.99 35.6 -1 6 0 1108.19 40.2 -1 6 0 1141.19 37.7 -1 6 0 1147.99 37.4 -1 6 0 1168.38 39 -1 6 0 1226.88 36 0 -6 0 -0.5 0.7 0 -6 0 -0.4 1.4 0 6 0 1.5 1.7 0 6 0 0 0.8 0 6 0 1.2 1.7 0 6 0 2.4 1.7 0 6 0 1 1 -1 -6 0 1.6 1.6 -1 -6 0 1 1 -1 -6 0 1.2 1.4 1 6 0 0.9 1.9 1 6 0 0.8 1.8 1 6 0 2.4 1.3 1 6 0 0.6 2 -2 -6 0 300.67 11.4 -2 -6 0 289.47 12.2 -2 -6 0 294.37 9.1 -2 -6 0 296.47 12.3 2 6 0 292.37 13.2 2 6 0 292.17 12.6 2 6 0 279.27 14 2 6 0 287.97 12.7 -3 -6 0 40.6 4.1 -3 -6 0 40.5 3.9 -3 -6 0 40.2 3.6 3 6 0 45.5 4.7 3 6 0 42 4.5 3 6 0 40.6 5 3 6 0 40.1 5 -4 -6 0 29.8 3.7 -4 -6 0 28.8 3.5 -4 -6 0 24.7 4.1 4 6 0 26.8 4 4 6 0 27 4.3 4 6 0 27 4.7 4 6 0 29 4.4 -5 -6 0 175.78 9.4 -5 -6 0 168.28 8.9 -5 -6 0 165.08 9.5 5 6 0 167.08 10.8 5 6 0 169.78 10.1 5 6 0 172.78 10.5 5 6 0 160.18 10.3 -6 -6 0 151.28 8.4 -6 -6 0 151.98 9.7 6 6 0 138.59 9.3 6 6 0 153.98 10.1 6 6 0 137.89 10 -7 -6 0 63.59 6.7 -7 -6 0 55.99 4.9 7 6 0 56.59 6.9 7 6 0 65.59 6.5 7 6 0 53.49 5.5 -8 -6 0 0.4 1.4 -8 -6 0 -0.5 0.5 8 6 0 2.5 1.3 8 6 0 1.3 1.8 -10 7 0 27.4 4 -10 7 0 22.3 3.7 9 -7 0 2.7 1.5 9 -7 0 -0.3 1.5 -9 7 0 0.6 0.4 -9 7 0 0.5 3 -9 7 0 -0.4 2.5 8 -7 0 21.1 3.7 8 -7 0 27.7 5.4 -8 7 0 23.3 6.6 -8 7 0 23.5 3.1 -8 7 0 29.9 3 -8 7 0 24.1 6.2 7 -7 0 12.8 2.3 7 -7 0 15.8 3.9 7 -7 0 14.6 3.2 -7 7 0 12.2 5 -7 7 0 16.7 5.4 -7 7 0 20.4 3.1 -7 7 0 19.6 3.2 6 -7 0 100.29 6.3 6 -7 0 97.29 7.5 6 -7 0 102.89 4.6 -6 7 0 94.79 6 -6 7 0 98.29 9.4 -6 7 0 97.39 6.1 -6 7 0 97.39 10 5 -7 0 33.7 4.7 5 -7 0 36.5 2.2 5 -7 0 35.5 3.5 -5 7 0 36.3 5.5 -5 7 0 36.9 3.6 -5 7 0 41.3 3.7 -5 7 0 35.4 5.8 4 -7 0 376.26 12.6 4 -7 0 355.26 16 4 -7 0 366.96 14.5 -4 7 0 364.56 18.1 -4 7 0 369.66 18.6 -4 7 0 369.36 14.5 -4 7 0 378.26 14.3 3 -7 0 4.5 1.8 3 -7 0 7.3 2.4 3 -7 0 7.8 0.9 -3 7 0 6.3 3.4 -3 7 0 8 2.1 -3 7 0 6.4 1.9 -3 7 0 4.7 2.8 -3 7 0 6 0.6 2 -7 0 1 0.5 2 -7 0 1.4 1.6 2 -7 0 0.8 1.2 -2 7 0 1.7 1.8 -2 7 0 2.1 0.6 -2 7 0 1.6 1.6 -2 7 0 0.2 1.4 -2 7 0 -0.4 2.4 1 -7 0 110.99 7 1 -7 0 102.09 6.1 1 -7 0 110.49 5 -1 7 0 97.49 8.3 -1 7 0 106.99 5.2 -1 7 0 100.69 7.1 -1 7 0 97.59 6.5 -1 7 0 103.79 6.5 0 -7 0 16.5 1.9 0 -7 0 16.7 3 0 -7 0 18.5 3.4 0 7 0 19.5 3.5 0 7 0 15.5 4.1 0 7 0 19.1 2.5 0 7 0 18.3 3.3 0 7 0 17.4 2.3 -1 -7 0 -0.3 1.2 -1 -7 0 -0.4 0.8 -1 -7 0 0.3 1.6 1 7 0 0.2 1.1 1 7 0 -1.5 1.9 1 7 0 -1.6 1.8 1 7 0 -2.9 1.5 -2 -7 0 137.59 7.9 -2 -7 0 137.49 6.8 -2 -7 0 147.19 8.2 2 7 0 135.99 8.8 2 7 0 143.59 8.5 2 7 0 140.29 8.1 2 7 0 129.29 9.4 -3 -7 0 21.6 4 -3 -7 0 27.6 3.3 -3 -7 0 28.9 3.8 3 7 0 26.1 4.7 3 7 0 23.9 4.7 3 7 0 30.8 4.6 3 7 0 27.3 4.4 -4 -7 0 61.79 5.8 -4 -7 0 75.09 5.5 -4 -7 0 65.59 5.8 4 7 0 72.79 6.9 4 7 0 77.79 7.3 4 7 0 74.19 6.6 4 7 0 66.09 6.5 -5 -7 0 41.7 5 -5 -7 0 44.8 4.2 5 7 0 32.1 5.7 5 7 0 51.89 5.9 5 7 0 39.1 5.4 5 7 0 36.1 5.9 -6 -7 0 126.49 7.5 -6 -7 0 102.49 7.9 6 7 0 107.59 8.7 6 7 0 95.09 8.4 6 7 0 106.29 8.1 -7 -7 0 10.3 3.6 -7 -7 0 13.5 2.7 7 7 0 18.2 4 7 7 0 15.7 4.3 -10 8 0 23.3 3.6 -10 8 0 17.7 3 9 -8 0 15.5 3.8 9 -8 0 17.9 3.5 -9 8 0 29.5 5.8 -9 8 0 21.8 5.9 8 -8 0 65.79 7 8 -8 0 59.89 5.5 -8 8 0 76.39 5.2 -8 8 0 72.29 9.2 -8 8 0 60.59 9.2 -8 8 0 69.69 5.1 7 -8 0 247.18 13.9 7 -8 0 246.88 11.8 -7 8 0 252.57 11.5 -7 8 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65.59 7.4 6 6 -3 67.69 6.9 6 6 -3 72.39 6.5 -6 -6 3 78.69 6.1 -6 -6 3 73.89 5.4 -6 -6 3 66.99 6.1 5 6 -3 12.1 3.8 5 6 -3 12.6 4.5 5 6 -3 10.5 3.2 -5 -6 3 10.6 2.5 -5 -6 3 13.1 3.1 -5 -6 3 10.7 2.8 4 6 -3 2.9 2.4 4 6 -3 -0.7 3 4 6 -3 3.2 2.3 -4 -6 3 -0.7 1.6 -4 -6 3 1.9 1.4 -4 -6 3 2.8 0.7 -4 -6 3 -1 1.4 3 6 -3 1.9 3 3 6 -3 3 2.1 3 6 -3 1.5 2.1 -3 -6 3 0.6 1.5 -3 -6 3 1.8 1.4 -3 -6 3 2.2 1.1 -3 -6 3 0.3 1.4 2 6 -3 75.29 5.1 2 6 -3 72.29 7 2 6 -3 76.89 5.7 2 6 -3 78.59 5.6 -2 -6 3 71.59 4.8 -2 -6 3 79.19 5.3 -2 -6 3 79.09 4.4 -2 -6 3 75.29 4.5 1 6 -3 440.96 15.9 1 6 -3 437.16 16.2 1 6 -3 390.96 18.7 1 6 -3 418.26 17.1 -1 -6 3 444.86 15.5 -1 -6 3 423.56 14.5 -1 -6 3 405.96 15.6 -1 -6 3 392.86 15.2 0 6 -3 333.77 16.4 0 6 -3 325.97 12.9 0 6 -3 330.87 12.7 0 6 -3 323.97 15 0 -6 3 342.67 13.1 0 -6 3 324.07 12.4 0 -6 3 328.67 13 0 -6 3 331.27 11.3 -1 6 -3 608.14 20.7 -1 6 -3 594.44 20.9 -1 6 -3 595.34 25.1 -1 6 -3 610.14 24.7 1 -6 3 639.04 19.1 1 -6 3 630.64 22.1 1 -6 3 623.84 20.9 1 -6 3 621.24 21.6 1 -6 3 640.94 20.8 -2 6 -3 288.87 15.1 -2 6 -3 306.37 9.3 -2 6 -3 297.77 11.1 -2 6 -3 286.57 15.2 -2 6 -3 290.07 11.2 2 -6 3 326.07 13.3 2 -6 3 319.87 9.1 2 -6 3 300.37 11.2 2 -6 3 313.77 12.4 2 -6 3 308.87 11.5 -3 6 -3 313.17 11.1 -3 6 -3 310.87 14.5 -3 6 -3 295.47 16.3 -3 6 -3 307.07 11.2 -3 6 -3 292.97 15.4 3 -6 3 302.97 11.1 3 -6 3 307.37 12.5 3 -6 3 327.97 11.7 -4 6 -3 4.7 3.2 -4 6 -3 3.7 2.9 -4 6 -3 6.7 1.4 -4 6 -3 5.7 2.5 -4 6 -3 7.2 1.4 4 -6 3 6.9 1.9 4 -6 3 6 1.4 4 -6 3 5.5 1.1 -5 6 -3 128.79 10 -5 6 -3 145.09 6.1 -5 6 -3 136.59 10 -5 6 -3 141.39 6.3 -5 6 -3 122.79 11.4 5 -6 3 137.69 6.7 5 -6 3 142.09 7.8 -6 6 -3 2.4 3.9 -6 6 -3 3.5 3.1 -6 6 -3 2.7 3.5 6 -6 3 1.7 1.2 6 -6 3 2 1.7 -7 6 -3 240.58 14.6 -7 6 -3 230.88 16.6 -7 6 -3 239.28 15.1 7 -6 3 237.38 11.5 7 -6 3 244.88 10.6 -8 6 -3 43.7 7.3 -8 6 -3 35 5.5 -8 6 -3 31.6 6.8 8 -6 3 36.1 4.6 8 -6 3 31.7 3.1 -9 6 -3 9.4 3.6 9 -6 3 11.7 1.5 9 -6 3 11.7 3 -10 6 -3 20.7 5.3 10 -6 3 19.3 3.8 10 -6 3 16.1 2 9 5 -3 88.59 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1.7 1.8 4 6 -4 94.59 6.8 4 6 -4 102.19 7 4 6 -4 93.69 9 4 6 -4 110.19 6.1 -4 -6 4 104.59 6.3 -4 -6 4 105.59 6.3 -4 -6 4 105.79 6.2 3 6 -4 9.7 1.9 3 6 -4 4.9 3.8 3 6 -4 9.1 2.4 3 6 -4 9.8 2.5 -3 -6 4 7.9 2.1 -3 -6 4 8.5 2.1 -3 -6 4 7.3 1.1 -3 -6 4 9 2.1 2 6 -4 201.48 9.3 2 6 -4 186.18 10.1 2 6 -4 190.68 12.2 2 6 -4 209.18 9.6 -2 -6 4 187.48 8.8 -2 -6 4 204.78 8.2 -2 -6 4 188.98 8.3 -2 -6 4 196.58 9.1 1 6 -4 53.79 6.7 1 6 -4 62.29 4.6 1 6 -4 61.99 5.7 1 6 -4 60.29 4.5 -1 -6 4 60.39 4.4 -1 -6 4 59.59 3.6 -1 -6 4 57.79 4.3 -1 -6 4 65.29 4.1 0 6 -4 121.49 9.2 0 6 -4 138.89 9.3 0 6 -4 135.49 6.6 0 6 -4 136.09 6.7 0 -6 4 143.59 7.1 0 -6 4 136.99 6.8 0 -6 4 138.69 7.2 0 -6 4 138.99 6.4 0 -6 4 137.89 5.6 -1 6 -4 57.59 4.9 -1 6 -4 50.79 6.3 -1 6 -4 52.09 3.6 -1 6 -4 44.2 6.2 -1 6 -4 49.5 3.5 1 -6 4 52.69 4 1 -6 4 51.99 3.8 1 -6 4 59.59 2.8 1 -6 4 51.59 3.5 -2 6 -4 35.1 6.1 -2 6 -4 41 2.8 -2 6 -4 44.8 4.6 -2 6 -4 35.8 5.1 -2 6 -4 41.4 2.9 2 -6 4 48 2.1 2 -6 4 44.7 3 2 -6 4 45 3.4 2 -6 4 42.5 3.7 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5 5 -4 236.18 11.9 5 5 -4 247.78 10.7 5 5 -4 240.08 11.6 -5 -5 4 247.28 11.1 -5 -5 4 262.77 11 -5 -5 4 250.37 10.7 4 5 -4 1.1 3.1 4 5 -4 0.5 2 4 5 -4 1.9 2 4 5 -4 3.1 1.1 -4 -5 4 3 1.3 -4 -5 4 1.7 1.6 -4 -5 4 2.7 1.4 3 5 -4 108.89 8.9 3 5 -4 123.59 6.8 3 5 -4 124.39 6.9 3 5 -4 125.19 7.3 -3 -5 4 122.49 4.7 -3 -5 4 117.99 6.5 -3 -5 4 125.39 6.3 -3 -5 4 125.69 6.4 2 5 -4 380.26 14.5 2 5 -4 388.86 14.4 2 5 -4 361.06 15.7 2 5 -4 354.06 17.3 -2 -5 4 407.86 13.2 -2 -5 4 380.06 14.3 -2 -5 4 383.96 13.7 -2 -5 4 375.86 14 1 5 -4 181.68 10.2 1 5 -4 168.48 10.5 1 5 -4 193.28 8.3 1 5 -4 194.78 8.2 -1 -5 4 185.78 8.2 -1 -5 4 192.08 7.8 -1 -5 4 193.18 7.5 -1 -5 4 190.48 8 -1 -5 4 184.48 8.2 0 5 -4 0.3 1.1 0 5 -4 0 2.5 0 5 -4 0.9 1.3 0 5 -4 -0.5 1.4 0 5 -4 -1 1.8 0 -5 4 2.3 1.3 0 -5 4 3.1 1.2 0 -5 4 1.2 0.8 0 -5 4 1.5 0.9 -1 5 -4 -0.6 1.3 -1 5 -4 -0.8 0.7 -1 5 -4 -1.2 1.2 -1 5 -4 -1.1 1.5 1 -5 4 -0.3 0.7 1 -5 4 -0.2 1.1 1 -5 4 -1.5 0.7 1 -5 4 -0.4 0.3 -2 5 -4 4.7 2.8 -2 5 -4 7 0.8 -2 5 -4 4.1 0.9 -2 5 -4 5.8 2.2 -2 5 -4 5 2.8 2 -5 4 4.8 1.3 2 -5 4 4.6 1 2 -5 4 3.5 1.4 2 -5 4 5.5 0.9 -3 5 -4 211.78 11.9 -3 5 -4 229.98 7.7 -3 5 -4 221.18 11.7 -3 5 -4 219.98 7.8 -3 5 -4 215.98 13.3 3 -5 4 217.18 9.6 3 -5 4 221.28 7.7 3 -5 4 237.98 8 3 -5 4 225.58 9.2 -4 5 -4 8 1.1 -4 5 -4 10.9 3.4 -4 5 -4 5.5 3.5 -4 5 -4 8.4 0.8 -4 5 -4 6.2 2.9 4 -5 4 7.5 1.1 4 -5 4 9.4 1.9 4 -5 4 9.7 1 4 -5 4 7.4 2.1 -5 5 -4 26.6 4.8 -5 5 -4 26 6.3 -5 5 -4 30.5 5.7 5 -5 4 30.4 3 5 -5 4 26.8 2.4 5 -5 4 31.1 3.5 -6 5 -4 338.17 19.9 -6 5 -4 307.57 16.9 -6 5 -4 318.77 16.2 6 -5 4 315.47 13.7 6 -5 4 322.47 13.1 -7 5 -4 53.59 6.1 -7 5 -4 56.29 8.6 -7 5 -4 50.59 7.5 7 -5 4 51.69 4.2 7 -5 4 50.19 5.3 -8 5 -4 10.8 4.2 8 -5 4 13.3 2.4 8 -5 4 13.7 3.3 -9 5 -4 9.6 2.9 10 4 -4 1.3 1.3 10 4 -4 1.7 1.6 -10 -4 4 0.9 1 -10 -4 4 -3.3 1.4 9 4 -4 68.49 7.4 9 4 -4 71.29 6.8 9 4 -4 78.69 8.5 -9 -4 4 71.29 6.9 -9 -4 4 76.69 5.7 -9 -4 4 77.49 6.5 8 4 -4 32 5.5 8 4 -4 36.4 6.9 8 4 -4 27.3 4.7 -8 -4 4 26.4 4.6 -8 -4 4 30.4 3.9 -8 -4 4 34.7 4.2 7 4 -4 13.3 4.7 7 4 -4 10.1 3.6 7 4 -4 12.9 3.4 -7 -4 4 11.6 2.6 -7 -4 4 12.3 2.8 -7 -4 4 11.7 2.9 6 4 -4 1.2 1.5 6 4 -4 -0.7 2.9 6 4 -4 1.4 1.9 6 4 -4 0.9 1 -6 -4 4 2.6 1.7 -6 -4 4 0.8 1.3 -6 -4 4 1.5 1.6 5 4 -4 5.3 1.8 5 4 -4 3.3 3.1 5 4 -4 6.2 2.2 5 4 -4 4.4 1.9 -5 -4 4 6.6 1.7 -5 -4 4 5.7 2.1 -5 -4 4 7.2 1.8 4 4 -4 198.28 11.6 4 4 -4 223.98 9.9 4 4 -4 223.98 10.5 4 4 -4 213.38 10 -4 -4 4 226.88 9.7 -4 -4 4 236.18 9.7 -4 -4 4 229.38 9.2 3 4 -4 80.29 4.9 3 4 -4 75.79 6.8 3 4 -4 82.09 5 3 4 -4 81.19 5.8 -3 -4 4 85.29 4.9 -3 -4 4 83.59 2.8 -3 -4 4 83.89 4.9 -3 -4 4 79.69 4.5 2 4 -4 64.09 4.2 2 4 -4 63.99 5.3 2 4 -4 63.19 4.2 2 4 -4 55.99 5.9 -2 -4 4 59.69 3.9 -2 -4 4 64.19 3.9 -2 -4 4 62.29 3.8 -2 -4 4 67.99 3.1 -2 -4 4 63.69 4.1 1 4 -4 428.86 14.5 1 4 -4 389.36 17.4 1 4 -4 429.56 14.7 1 4 -4 413.26 17.2 1 4 -4 427.16 14.6 -1 -4 4 427.86 14.3 -1 -4 4 401.46 14.7 -1 -4 4 408.06 14.6 -1 -4 4 429.86 14.3 0 4 -4 1788.02 60.59 0 4 -4 1844.82 60.49 0 4 -4 1917.51 56.59 0 4 -4 1924.31 56.39 0 4 -4 1928.71 58.29 0 -4 4 1870.21 57.19 0 -4 4 1984.4 56.39 0 -4 4 1662.73 56.29 0 -4 4 1895.51 57.19 -1 4 -4 72.09 3.2 -1 4 -4 71.49 5.2 -1 4 -4 67.29 5.8 -1 4 -4 72.29 6.5 -1 4 -4 69.69 3.2 1 -4 4 73.59 4 1 -4 4 75.59 3.2 1 -4 4 76.49 3.5 1 -4 4 73.59 4.2 -2 4 -4 545.25 22.8 -2 4 -4 631.44 18.5 -2 4 -4 590.64 22.6 -2 4 -4 573.14 24.6 -2 4 -4 636.94 18.5 2 -4 4 611.64 20.3 2 -4 4 601.14 18.4 2 -4 4 613.64 20.6 2 -4 4 645.74 19.4 -3 4 -4 253.57 7.7 -3 4 -4 235.08 13.8 -3 4 -4 245.28 12.3 -3 4 -4 241.68 12 3 -4 4 238.28 9 3 -4 4 234.58 7.7 3 -4 4 245.78 10.1 3 -4 4 249.58 9.8 -4 4 -4 4.1 2.9 -4 4 -4 4.6 2.4 -4 4 -4 3.5 2.7 4 -4 4 6.9 0.7 4 -4 4 4.7 0.8 4 -4 4 5.2 1.2 4 -4 4 4.4 1.6 4 -4 4 5.2 1.6 -5 4 -4 81.79 7.4 -5 4 -4 85.29 6.8 -5 4 -4 90.09 8.9 5 -4 4 87.29 5.3 5 -4 4 81.69 5 5 -4 4 84.79 5.8 5 -4 4 85.99 5 -6 4 -4 105.19 10.7 -6 4 -4 103.19 7.8 -6 4 -4 103.09 9.4 6 -4 4 105.59 6.6 6 -4 4 100.19 6.1 6 -4 4 98.19 6.1 -7 4 -4 2.7 3 -7 4 -4 -1.8 3.1 7 -4 4 0.6 1 7 -4 4 1 1.1 7 -4 4 0.2 2.1 -8 4 -4 -1.2 2.5 8 -4 4 2.2 0.7 8 -4 4 -1.6 1.8 -9 4 -4 12.9 3.5 9 -4 4 12.6 3.1 9 -4 4 11.2 1.5 11 3 -4 2.7 2.2 -11 -3 4 1.3 0.6 -11 -3 4 1.1 2.4 10 3 -4 -4.1 2.8 10 3 -4 -0.2 1.9 -10 -3 4 6.6 1.6 -10 -3 4 2.3 1.2 -10 -3 4 5 2.4 9 3 -4 60.39 6.3 9 3 -4 54.89 6.3 9 3 -4 54.79 7.5 -9 -3 4 67.99 5.8 -9 -3 4 52.99 5.6 -9 -3 4 55.49 4.9 8 3 -4 16.6 4 8 3 -4 16.5 3.9 8 3 -4 18.6 5.3 -8 -3 4 24.4 3.8 -8 -3 4 13.6 2.9 -8 -3 4 16.7 3.5 7 3 -4 -1.7 1 7 3 -4 1.5 2.2 7 3 -4 -0.1 3.2 7 3 -4 0 2.3 -7 -3 4 -0.6 1 -7 -3 4 1.9 1.5 -7 -3 4 -1.5 1.2 6 3 -4 87.99 6.2 6 3 -4 88.69 6.5 6 3 -4 92.49 6.6 6 3 -4 90.59 7.5 -6 -3 4 90.29 5.9 -6 -3 4 92.29 5.6 -6 -3 4 102.59 5.6 5 3 -4 5.7 2 5 3 -4 3.9 1.9 5 3 -4 5.7 3 5 3 -4 4.4 1.8 -5 -3 4 2.5 1.1 -5 -3 4 2.7 1.4 -5 -3 4 0.5 1.2 4 3 -4 0.5 1.1 4 3 -4 0.7 1.2 4 3 -4 -0.4 1.3 4 3 -4 2.2 2.2 -4 -3 4 0.9 1 -4 -3 4 1 1 -4 -3 4 3.6 1.4 3 3 -4 49.3 4.5 3 3 -4 50.89 3.7 3 3 -4 48.7 3.7 3 3 -4 39.1 4.8 -3 -3 4 48.3 3.5 -3 -3 4 50.39 3 -3 -3 4 48.3 3.4 2 3 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4.8 2.6 -6 -2 4 1.7 1.6 -6 -2 4 2.4 1.3 -6 -2 4 2 1.3 5 2 -4 376.36 11.8 5 2 -4 366.06 14.4 5 2 -4 375.76 15.6 5 2 -4 371.46 14.7 5 2 -4 395.86 16.6 -5 -2 4 376.46 14.8 -5 -2 4 376.86 14.5 -5 -2 4 380.36 13.9 -5 -2 4 404.76 13.5 4 2 -4 189.98 9.6 4 2 -4 191.18 8.3 4 2 -4 195.88 10.1 -4 -2 4 182.28 7.9 -4 -2 4 190.28 8.5 -4 -2 4 196.38 8.3 -4 -2 4 202.58 7.4 3 2 -4 217.38 8.8 3 2 -4 231.38 10.6 3 2 -4 222.78 6.9 3 2 -4 218.58 10.6 3 2 -4 216.98 9.1 -3 -2 4 212.58 8.6 -3 -2 4 239.08 6.9 -3 -2 4 219.38 7.9 -3 -2 4 219.38 8.9 -3 -2 4 230.98 9 2 2 -4 3184.88 95.49 2 2 -4 3235.48 95.99 2 2 -4 3175.48 94.99 2 2 -4 3602.64 98.49 2 2 -4 3239.48 98.49 -2 -2 4 2804.52 95.79 -2 -2 4 3092.79 95.59 -2 -2 4 3318.77 95.89 -2 -2 4 3179.88 94.99 1 2 -4 1086.39 32.1 1 2 -4 1053.19 32.3 1 2 -4 1046.5 32.9 1 2 -4 1086.89 35.7 1 2 -4 948.41 34.3 -1 -2 4 1053.19 32.1 -1 -2 4 1059.79 32.7 -1 -2 4 1037.3 32.6 -1 -2 4 1082.89 32.2 0 2 -4 199.28 6.5 0 2 -4 178.98 8.7 0 2 -4 191.18 8.3 0 2 -4 199.98 6.5 0 2 -4 187.18 9.8 0 2 -4 195.78 6.4 0 -2 4 203.48 7.4 0 -2 4 203.18 7.3 0 -2 4 192.58 7.4 -1 2 -4 606.64 21.6 -1 2 -4 617.44 21.9 -1 2 -4 621.64 23.7 1 -2 4 639.54 20.3 1 -2 4 599.44 20.1 1 -2 4 655.53 20.3 -2 2 -4 486.05 17.9 -2 2 -4 507.25 20.6 -2 2 -4 503.35 17.7 -2 2 -4 495.65 19 2 -2 4 490.25 17 2 -2 4 505.85 16.9 -3 2 -4 545.15 22.5 -3 2 -4 534.45 19.5 -3 2 -4 541.35 21 -3 2 -4 549.15 19.4 3 -2 4 527.55 16.6 3 -2 4 541.35 18.5 3 -2 4 551.14 16.6 3 -2 4 518.65 18.7 3 -2 4 539.05 16.6 -4 2 -4 318.77 12.9 -4 2 -4 298.47 14.5 -4 2 -4 303.27 13.2 -4 2 -4 320.47 16.1 4 -2 4 318.47 12.3 4 -2 4 308.07 10.5 4 -2 4 310.97 10.6 4 -2 4 310.47 12.6 4 -2 4 315.37 10.6 -5 2 -4 4.9 2.9 -5 2 -4 5.9 2 -5 2 -4 4.6 2.4 -5 2 -4 3.6 2.6 5 -2 4 4.9 1.9 5 -2 4 5.4 1.1 5 -2 4 5.9 1.9 5 -2 4 5.7 1.3 -6 2 -4 195.38 10.4 -6 2 -4 163.88 11.2 -6 2 -4 175.78 12.3 -6 2 -4 166.68 10.2 6 -2 4 172.18 9.4 6 -2 4 170.58 8.9 -7 2 -4 11.1 3.3 -7 2 -4 11.6 4.4 7 -2 4 11.2 2.9 7 -2 4 12.1 2.6 -8 2 -4 0.3 1.5 -8 2 -4 -0.7 2.4 8 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6 2.7 1.3 -6 -7 6 2 1.7 5 7 -6 51.19 6 5 7 -6 48.7 5.5 5 7 -6 48.5 7.8 -5 -7 6 53.19 5.1 -5 -7 6 54.59 4.9 -5 -7 6 48.5 4.6 4 7 -6 5.5 1.7 4 7 -6 -0.8 2.2 4 7 -6 5.6 4.4 4 7 -6 -0.4 2.2 -4 -7 6 0 1.6 -4 -7 6 2.1 2 -4 -7 6 6 2.1 3 7 -6 2.2 2.4 3 7 -6 5.4 2.6 3 7 -6 3.5 4.3 3 7 -6 8.2 2.6 -3 -7 6 4.6 1.9 -3 -7 6 7.6 2.1 -3 -7 6 5.1 2.2 2 7 -6 39.9 5.5 2 7 -6 52.69 4.6 2 7 -6 43.3 4.4 2 7 -6 39.3 7.3 -2 -7 6 41.4 4.3 -2 -7 6 40.3 4.3 -2 -7 6 41.2 3.6 -2 -7 6 44.8 3.2 1 7 -6 87.59 8.4 1 7 -6 81.49 9.3 1 7 -6 93.69 5.7 1 7 -6 85.79 5.7 -1 -7 6 86.99 6.1 -1 -7 6 87.79 5.5 -1 -7 6 86.79 5 -1 -7 6 85.89 6 0 7 -6 284.87 11.5 0 7 -6 277.37 16.1 0 7 -6 279.37 11.2 0 7 -6 279.17 16.4 0 7 -6 290.77 13.1 0 -7 6 278.37 12.3 0 -7 6 269.37 12.1 0 -7 6 294.77 10.7 -1 7 -6 1.8 2.1 -1 7 -6 3.7 2.9 -1 7 -6 2.5 1.1 -1 7 -6 -0.1 3.6 1 -7 6 1.8 2 1 -7 6 -1.3 1.2 1 -7 6 0.9 0.8 -2 7 -6 0.2 2.3 -2 7 -6 -1.9 1.6 -2 7 -6 -2.2 2.7 2 -7 6 0 0.9 2 -7 6 -1.8 1.6 -3 7 -6 41.1 7 -3 7 -6 45.8 6.8 -3 7 -6 43.6 6 3 -7 6 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3.5 2.2 5 6 -8 6.7 2.5 5 6 -8 2.6 4.2 5 6 -8 6.2 2.6 -5 -6 8 5.1 2.4 -5 -6 8 9.9 2.3 -5 -6 8 6.4 2.5 4 6 -8 24.5 5.1 4 6 -8 18.5 3.5 4 6 -8 17.7 6.3 4 6 -8 23.7 4 -4 -6 8 23 3.2 -4 -6 8 25.4 3.2 -4 -6 8 22.8 3.8 3 6 -8 13.8 2.9 3 6 -8 10.5 5.4 3 6 -8 16.4 3.1 3 6 -8 14.8 4.2 -3 -6 8 19.6 3 -3 -6 8 17.5 3.1 -3 -6 8 18.1 3 2 6 -8 1 1.5 2 6 -8 -3.9 3.9 2 6 -8 -3.3 2.3 2 6 -8 1.7 1.6 2 6 -8 -0.4 0.6 -2 -6 8 -0.9 1 -2 -6 8 -0.6 1.3 -2 -6 8 0 1.3 1 6 -8 149.59 6.8 1 6 -8 142.79 6.6 1 6 -8 134.69 11.5 1 6 -8 138.19 11.2 1 6 -8 142.19 8.3 -1 -6 8 148.79 7.8 -1 -6 8 122.49 6.9 -1 -6 8 141.39 8 0 6 -8 0.3 1.4 0 6 -8 -0.6 2.8 0 6 -8 -0.9 2.2 0 -6 8 -1 0.9 0 -6 8 -0.2 1.1 0 -6 8 -0.8 0.7 -1 6 -8 16.3 4.9 -1 6 -8 23.4 4.5 -1 6 -8 17.4 5.4 1 -6 8 19.7 2.6 1 -6 8 17.8 3.1 1 -6 8 20.4 3.4 -2 6 -8 54.99 9 -2 6 -8 46.7 6.4 -2 6 -8 47.1 5.6 2 -6 8 54.59 5.2 2 -6 8 48.8 4.3 -3 6 -8 6 2.6 -3 6 -8 1.8 3.9 -3 6 -8 -0.3 1.3 3 -6 8 3.9 1.5 3 -6 8 0.2 2.1 -4 6 -8 212.28 16.2 -4 6 -8 220.98 12.6 -4 6 -8 202.28 13.5 4 -6 8 199.78 10.8 4 -6 8 220.38 10.6 -5 6 -8 6.1 2.5 5 -6 8 4.8 2.2 5 -6 8 5.1 1.4 6 -6 8 27.7 3.1 6 -6 8 35.5 4.9 10 5 -8 17.5 4.5 10 5 -8 30.4 5.2 -10 -5 8 20.3 2.6 -10 -5 8 23.7 4.6 9 5 -8 13.8 4.2 9 5 -8 9.2 3.1 -9 -5 8 13.8 2.6 -9 -5 8 13.8 3.8 8 5 -8 37.1 6.8 8 5 -8 37.8 4.8 8 5 -8 35.4 5.3 -8 -5 8 37.5 4.7 -8 -5 8 34.9 4.1 7 5 -8 47.9 5.5 7 5 -8 48.3 5.8 7 5 -8 47.2 5.1 7 5 -8 40 6.6 -7 -5 8 53.99 4.9 -7 -5 8 52.79 5.2 6 5 -8 108.09 7.6 6 5 -8 111.99 9 6 5 -8 95.69 9.6 6 5 -8 116.19 8.1 -6 -5 8 107.99 7.3 -6 -5 8 123.79 8 -6 -5 8 125.19 6.3 5 5 -8 -0.3 2.2 5 5 -8 -3.1 1.7 5 5 -8 -0.6 3.1 -5 -5 8 1.1 1.8 -5 -5 8 -0.1 1 -5 -5 8 0.4 1.2 4 5 -8 5.9 2.4 4 5 -8 1.6 4.5 4 5 -8 1.5 3 4 5 -8 3 2.1 -4 -5 8 3.9 1.7 -4 -5 8 6 2.2 -4 -5 8 5.3 1.7 3 5 -8 112.19 5.8 3 5 -8 110.19 6.3 3 5 -8 98.09 9.2 3 5 -8 106.69 9.7 3 5 -8 114.99 6.5 -3 -5 8 112.79 6.7 -3 -5 8 119.89 6.2 -3 -5 8 101.39 6.5 2 5 -8 3.6 1.1 2 5 -8 1.7 1.4 2 5 -8 2.5 1.6 2 5 -8 2 3.7 2 5 -8 2.6 3.1 -2 -5 8 0.9 1.1 -2 -5 8 3.4 1.5 -2 -5 8 2.3 1.4 1 5 -8 -0.3 0.8 1 5 -8 -0.6 1.3 1 5 -8 0.1 3 1 5 -8 -0.3 1.2 1 5 -8 -1 2.1 -1 -5 8 -0.4 1 -1 -5 8 0.2 1.1 -1 -5 8 0.9 1.2 0 5 -8 24.4 5.4 0 5 -8 26.8 4.6 0 5 -8 27.9 4.1 0 -5 8 34.3 3.7 0 -5 8 30.2 3.1 0 -5 8 29.1 3.5 -1 5 -8 71.89 7.2 -1 5 -8 83.79 7 -1 5 -8 63.29 9 1 -5 8 78.49 5 1 -5 8 83.39 5.7 1 -5 8 85.09 5.5 -2 5 -8 43.1 7.6 -2 5 -8 41.4 6 -2 5 -8 46.3 6 2 -5 8 50.99 4.5 2 -5 8 51.09 4 2 -5 8 51.19 4.5 -3 5 -8 6.3 2.3 -3 5 -8 2 4.3 -3 5 -8 3 2.9 3 -5 8 2.5 2.1 3 -5 8 4.2 1.5 3 -5 8 4.6 1.7 -4 5 -8 25.6 5.5 -4 5 -8 24.8 6.7 4 -5 8 32.6 3.4 4 -5 8 28.9 4.4 -5 5 -8 31.3 5.6 -5 5 -8 29.9 4.8 5 -5 8 22.5 4.2 5 -5 8 25.9 3.1 -6 5 -8 9.1 2.5 6 -5 8 6.8 1.5 6 -5 8 3.8 2.1 10 4 -8 6.6 4.4 10 4 -8 4.9 2.7 -10 -4 8 4.8 1.6 -10 -4 8 8.7 3.4 9 4 -8 58.79 6.5 9 4 -8 61.89 9.3 -9 -4 8 58.89 4.9 -9 -4 8 65.39 6.5 8 4 -8 51.19 5.9 8 4 -8 41.2 7.2 8 4 -8 33.4 5.4 8 4 -8 49.3 5.3 -8 -4 8 42.5 4.9 -8 -4 8 45.9 4.4 7 4 -8 99.79 7.8 7 4 -8 91.99 8.5 7 4 -8 106.89 7.6 7 4 -8 102.09 10.4 -7 -4 8 117.49 7.3 -7 -4 8 99.69 7.7 6 4 -8 19.7 3.9 6 4 -8 11.3 4.4 6 4 -8 17.5 3.6 6 4 -8 15.9 4.5 -6 -4 8 14.5 3.1 -6 -4 8 21.5 2.2 -6 -4 8 18.6 3.5 5 4 -8 86.09 5.9 5 4 -8 90.29 6.2 5 4 -8 92.39 9.1 5 4 -8 80.99 9.2 -5 -4 8 94.89 5 -5 -4 8 103.09 6.8 -5 -4 8 95.69 6.4 4 4 -8 18.8 5 4 4 -8 23 3.3 4 4 -8 21.7 5.1 4 4 -8 23.6 3.3 -4 -4 8 26.2 2.7 -4 -4 8 26.5 3.6 -4 -4 8 27.9 3.5 3 4 -8 0.4 1.3 3 4 -8 3 2.7 3 4 -8 3.9 3.8 3 4 -8 3.6 1 3 4 -8 0.7 1.4 -3 -4 8 2.8 1.7 -3 -4 8 2.9 1.3 -3 -4 8 2.6 1.4 2 4 -8 252.47 9.8 2 4 -8 240.98 15 2 4 -8 257.97 10.1 2 4 -8 223.28 13.6 2 4 -8 252.87 9.9 2 4 -8 240.38 10.9 -2 -4 8 250.97 10.9 -2 -4 8 249.78 11 -2 -4 8 252.17 10.1 1 4 -8 98.99 8.4 1 4 -8 97.89 9.7 1 4 -8 107.89 5 1 4 -8 113.49 4.9 1 4 -8 100.59 6.8 1 4 -8 112.99 5 -1 -4 8 105.79 6.3 -1 -4 8 108.09 5.8 -1 -4 8 107.99 6.2 0 4 -8 37.2 5.2 0 4 -8 40.6 2.1 0 4 -8 40.9 4.8 0 4 -8 37 6.2 0 -4 8 41 3.8 0 -4 8 40 3.6 0 -4 8 40.9 3.6 -1 4 -8 185.68 10.7 -1 4 -8 173.08 10.7 -1 4 -8 166.58 13.2 1 -4 8 190.68 8.7 1 -4 8 192.88 9.1 1 -4 8 189.28 8.8 -2 4 -8 30 4.5 -2 4 -8 29.6 5.4 -2 4 -8 29.6 6.6 2 -4 8 31.5 3.4 2 -4 8 34.3 3.4 2 -4 8 33.2 3.9 -3 4 -8 18.6 5.8 -3 4 -8 16.1 4.7 3 -4 8 17.9 3.3 3 -4 8 22.3 3 3 -4 8 16.9 3 -4 4 -8 19.4 5.8 -4 4 -8 17.1 4.9 4 -4 8 16.8 2.9 4 -4 8 15.8 3.5 4 -4 8 17 2.3 -5 4 -8 5.6 2.4 -5 4 -8 6.4 2.8 5 -4 8 2.8 1.2 5 -4 8 2.2 2.2 -6 4 -8 5.8 2.3 11 3 -8 5.9 5 11 3 -8 9.9 3.2 -11 -3 8 7.8 1.6 -11 -3 8 8.5 3.1 10 3 -8 2.5 3.9 10 3 -8 -1.9 2 -10 -3 8 1.7 1.8 9 3 -8 19 3.8 9 3 -8 20.2 4.5 9 3 -8 23.6 6.6 -9 -3 8 16.7 2.9 -9 -3 8 14.6 3.8 8 3 -8 -2.5 1.6 8 3 -8 1.4 4.2 8 3 -8 0.9 2.5 8 3 -8 0.5 1.7 -8 -3 8 -1.9 1.4 -8 -3 8 -0.5 1.6 7 3 -8 3.3 2.8 7 3 -8 4.2 4.5 7 3 -8 2.5 2.3 7 3 -8 -0.3 2.4 -7 -3 8 0.9 2.4 -7 -3 8 1.7 1.8 6 3 -8 140.49 11.3 6 3 -8 136.99 8 6 3 -8 129.09 10.9 -6 -3 8 134.79 8.3 -6 -3 8 145.49 8.6 -6 -3 8 128.89 7.6 5 3 -8 175.28 12.1 5 3 -8 153.38 8.1 5 3 -8 151.48 11.6 -5 -3 8 178.78 9.1 -5 -3 8 161.38 8.6 -5 -3 8 165.18 8.4 -5 -3 8 163.78 6.7 4 3 -8 65.89 7.6 4 3 -8 83.09 4.3 4 3 -8 81.39 8.8 4 3 -8 81.99 5.2 -4 -3 8 78.69 5.3 -4 -3 8 74.39 5.6 -4 -3 8 81.99 4.2 -4 -3 8 79.19 5.3 3 3 -8 43 6.1 3 3 -8 41.7 6.9 3 3 -8 51.69 3.7 3 3 -8 42.4 3.5 -3 -3 8 41.5 3.5 -3 -3 8 47.6 4.1 -3 -3 8 45.5 3.1 -3 -3 8 45.2 3.7 2 3 -8 124.49 9 2 3 -8 136.39 7.5 2 3 -8 150.28 6.5 2 3 -8 134.29 10.5 2 3 -8 145.89 6.4 -2 -3 8 145.69 6.4 -2 -3 8 142.79 7.2 -2 -3 8 146.29 7.6 -2 -3 8 149.69 6.6 1 3 -8 66.09 6.4 1 3 -8 62.99 5.3 1 3 -8 78.99 3.6 1 3 -8 70.59 7.6 1 3 -8 67.59 3.6 1 3 -8 68.49 3.5 -1 -3 8 69.19 4.3 -1 -3 8 69.19 4.6 -1 -3 8 69.39 4.9 0 3 -8 167.78 6.3 0 3 -8 156.88 9.4 0 3 -8 167.48 5.7 0 3 -8 148.69 9.3 0 3 -8 146.89 11.3 0 3 -8 164.08 5.7 0 -3 8 168.78 8 0 -3 8 170.58 7.7 0 -3 8 168.38 8 -1 3 -8 28.2 5.8 -1 3 -8 32.4 4.2 -1 3 -8 31.3 4.8 1 -3 8 36.6 3.6 1 -3 8 35 3.3 1 -3 8 39.4 3.5 -2 3 -8 26.6 3.5 -2 3 -8 20 5.8 -2 3 -8 20.7 5 2 -3 8 27.9 3.4 2 -3 8 26.8 3.6 2 -3 8 26.9 3.2 -3 3 -8 163.68 11.3 -3 3 -8 172.58 13.7 3 -3 8 181.48 9.1 3 -3 8 177.18 9.2 3 -3 8 180.38 9.1 -4 3 -8 45.3 5.9 -4 3 -8 41.6 7.4 4 -3 8 46.8 4.3 4 -3 8 38.9 4.9 4 -3 8 45.7 4.2 -5 3 -8 32.7 5.1 -5 3 -8 41.9 5.5 5 -3 8 35.2 3.6 5 -3 8 24.4 3.1 5 -3 8 25.9 4.3 -7 3 -8 7 2.2 11 2 -8 2.9 2.3 11 2 -8 0.4 4.1 -11 -2 8 1.6 1.6 -11 -2 8 3.4 0.9 10 2 -8 29.4 5.4 10 2 -8 24.2 6.8 -10 -2 8 26 4.8 -10 -2 8 19.5 2.6 9 2 -8 159.78 10 9 2 -8 159.98 9.6 9 2 -8 156.88 12.7 9 2 -8 149.39 11.6 -9 -2 8 155.48 9.8 -9 -2 8 167.18 10.2 -9 -2 8 164.98 8.5 8 2 -8 20.8 6 8 2 -8 21 3.9 8 2 -8 16.4 4.8 -8 -2 8 19.1 4.4 -8 -2 8 18.1 3.8 -8 -2 8 17.9 3 7 2 -8 386.66 19.3 7 2 -8 350.96 19.1 7 2 -8 371.26 15.7 -7 -2 8 360.36 14.8 -7 -2 8 397.16 16.3 -7 -2 8 375.06 16.3 6 2 -8 1.3 3.3 6 2 -8 0.2 3.9 6 2 -8 -1.2 1.1 -6 -2 8 0.8 1.1 -6 -2 8 0.3 1.3 -6 -2 8 1.3 1.6 5 2 -8 20.8 5.2 5 2 -8 16.9 4.8 5 2 -8 15.7 2.9 5 2 -8 19.5 1.7 -5 -2 8 11.6 2.6 -5 -2 8 19 2.4 -5 -2 8 20.1 1.5 -5 -2 8 18.5 3.1 4 2 -8 396.06 14.8 4 2 -8 421.36 15.1 4 2 -8 424.46 18.7 4 2 -8 395.36 19.9 -4 -2 8 417.66 15.3 -4 -2 8 412.86 13.5 -4 -2 8 414.76 15.4 -4 -2 8 354.66 15.7 3 2 -8 216.58 8.7 3 2 -8 185.38 11.4 3 2 -8 203.78 9.4 3 2 -8 203.18 13.4 -3 -2 8 216.48 8 -3 -2 8 216.18 9.3 -3 -2 8 222.18 10.1 -3 -2 8 209.48 8.8 -3 -2 8 214.08 9.2 2 2 -8 53.39 7.5 2 2 -8 57.59 4.8 2 2 -8 69.79 3.7 2 2 -8 53.99 5.8 -2 -2 8 62.49 3.6 -2 -2 8 62.69 3.6 -2 -2 8 62.29 4.3 -2 -2 8 61.29 3.8 -2 -2 8 61.09 4.8 1 2 -8 94.79 6.7 1 2 -8 107.29 4.5 1 2 -8 91.69 9 1 2 -8 87.59 7 -1 -2 8 100.19 4.4 -1 -2 8 101.99 6 -1 -2 8 101.29 5.6 -1 -2 8 101.49 5.1 -1 -2 8 96.99 4.6 0 2 -8 23.5 4.2 0 2 -8 21.7 5.1 0 2 -8 18.5 3.4 0 2 -8 24.1 1.5 0 -2 8 27.5 3.3 0 -2 8 22.8 1.4 0 -2 8 22.6 2.8 0 -2 8 24.3 2.7 -1 2 -8 55.89 4.7 -1 2 -8 47.8 7.5 -1 2 -8 55.09 6.2 1 -2 8 64.59 4.9 1 -2 8 57.19 4.3 1 -2 8 56.39 4.4 -2 2 -8 26.3 5.4 -2 2 -8 25.8 5.7 -2 2 -8 29.1 4.4 -2 2 -8 33.8 3.2 2 -2 8 28.5 3.4 2 -2 8 26.7 3.3 -3 2 -8 75.89 8 -3 2 -8 82.29 9.4 -3 2 -8 73.49 6.3 3 -2 8 76.89 5.5 3 -2 8 78.69 5.8 -4 2 -8 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