#------------------------------------------------------------------------------ #$Date: 2020-05-23 02:17:30 +0300 (Sat, 23 May 2020) $ #$Revision: 252286 $ #$URL: file:///home/coder/svn-repositories/cod/cif/4/03/84/4038404.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_4038404 loop_ _publ_author_name 'Maikhuri, Vipin Kumar' 'Khatri, Vinod' 'Kumar, Amit' 'Singh, Balram' 'Prasad, Ashok K.' _publ_section_title ; Synthesis of Sugar Diene and its Pd-catalyzed Transformation into Chromanes. ; _journal_name_full 'The Journal of organic chemistry' _journal_paper_doi 10.1021/acs.joc.0c00432 _journal_year 2020 _chemical_absolute_configuration syn _chemical_formula_moiety 'C33 H32 O9 S2' _chemical_formula_sum 'C33 H32 O9 S2' _chemical_formula_weight 636.70 _space_group_crystal_system monoclinic _space_group_IT_number 5 _space_group_name_Hall 'C 2y' _space_group_name_H-M_alt 'C 1 2 1' _atom_sites_solution_hydrogens geom _atom_sites_solution_primary iterative _audit_creation_date 2019-07-31 _audit_creation_method ; Olex2 1.2 (compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506) ; _cell_angle_alpha 90 _cell_angle_beta 109.647(3) _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 33.185(5) _cell_length_b 5.9809(9) _cell_length_c 16.116(3) _cell_measurement_reflns_used 5366 _cell_measurement_temperature 100 _cell_measurement_theta_max 25.186 _cell_measurement_theta_min 2.162 _cell_volume 3012.4(9) _computing_cell_refinement 'SAINT V8.30C (?, 2016)' _computing_data_reduction 'SAINT V8.30C (?, 2016)' _computing_molecular_graphics 'Olex2 (Dolomanov et al., 2009)' _computing_publication_material 'Olex2 (Dolomanov et al., 2009)' _computing_structure_refinement 'ShelXL (Sheldrick, 2015)' _computing_structure_solution 'olex2.solve (Bourhis et al., 2015)' _diffrn_ambient_temperature 100 _diffrn_measured_fraction_theta_full 0.994 _diffrn_measured_fraction_theta_max 0.994 _diffrn_measurement_device_type 'Bruker APEX-II CCD' _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0676 _diffrn_reflns_av_unetI/netI 0.0542 _diffrn_reflns_Laue_measured_fraction_full 0.994 _diffrn_reflns_Laue_measured_fraction_max 0.994 _diffrn_reflns_limit_h_max 39 _diffrn_reflns_limit_h_min -39 _diffrn_reflns_limit_k_max 7 _diffrn_reflns_limit_k_min -7 _diffrn_reflns_limit_l_max 19 _diffrn_reflns_limit_l_min -19 _diffrn_reflns_number 18011 _diffrn_reflns_point_group_measured_fraction_full 0.991 _diffrn_reflns_point_group_measured_fraction_max 0.991 _diffrn_reflns_theta_full 25.186 _diffrn_reflns_theta_max 25.186 _diffrn_reflns_theta_min 2.162 _exptl_absorpt_coefficient_mu 0.233 _exptl_absorpt_correction_T_max 0.954 _exptl_absorpt_correction_T_min 0.946 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details 'SADABS V2012/1 (Bruker AXS Inc.)' _exptl_crystal_colour 'clear light white' _exptl_crystal_colour_lustre clear _exptl_crystal_colour_modifier light _exptl_crystal_colour_primary white _exptl_crystal_density_diffrn 1.404 _exptl_crystal_description needle _exptl_crystal_F_000 1336 _exptl_crystal_size_max 0.3 _exptl_crystal_size_mid 0.2 _exptl_crystal_size_min 0.2 _refine_diff_density_max 0.224 _refine_diff_density_min -0.326 _refine_diff_density_rms 0.043 _refine_ls_abs_structure_details ; Flack x determined using 1977 quotients [(I+)-(I-)]/[(I+)+(I-)] (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259). ; _refine_ls_abs_structure_Flack -0.01(4) _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 0.991 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 400 _refine_ls_number_reflns 5366 _refine_ls_number_restraints 1 _refine_ls_restrained_S_all 0.990 _refine_ls_R_factor_all 0.0369 _refine_ls_R_factor_gt 0.0317 _refine_ls_shift/su_max 0.000 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0342P)^2^] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0689 _refine_ls_wR_factor_ref 0.0709 _reflns_Friedel_coverage 0.806 _reflns_Friedel_fraction_full 0.988 _reflns_Friedel_fraction_max 0.988 _reflns_number_gt 4876 _reflns_number_total 5366 _reflns_threshold_expression 'I > 2\s(I)' _iucr_refine_instructions_details ; TITL vg_401_0m_a.res in C2 vg_401_0m.res created by SHELXL-2017/1 at 11:23:21 on 31-Jul-2019 REM Old TITL REM SHELXT solution in C2 REM R1 0.079, Rweak 0.027, Alpha 0.003, Orientation as input REM Flack x = -0.057 ( 0.049 ) from Parsons' quotients REM Formula found by SHELXT: C33 O9 S2 CELL 0.71073 33.1849 5.9809 16.1163 90 109.647 90 ZERR 4 0.0051 0.0009 0.0025 0 0.003 0 LATT -7 SYMM -X,+Y,-Z SFAC C H O S UNIT 132 128 36 8 L.S. 15 PLAN 20 TEMP 23 list 4 fmap 2 acta OMIT 0 0 1 OMIT -2 0 1 OMIT 2 0 0 REM REM REM WGHT 0.034200 FVAR 0.27146 S1 4 0.368465 0.440579 0.152946 11.00000 0.01601 0.02053 = 0.01289 0.00058 0.00423 -0.00160 S2 4 0.281740 0.907370 0.343935 11.00000 0.02021 0.03030 = 0.01504 0.00326 0.00660 0.00933 O3 3 0.388588 0.675948 0.459440 11.00000 0.02122 0.01921 = 0.01379 0.00438 0.00666 0.00717 O1 3 0.505645 0.041498 0.754322 11.00000 0.02037 0.02747 = 0.01482 0.00166 0.00200 0.01082 O2 3 0.507364 -0.143036 0.634615 11.00000 0.02313 0.02324 = 0.02013 -0.00075 0.00506 0.00823 O6 3 0.384890 0.529535 0.089064 11.00000 0.02096 0.03214 = 0.01581 0.00062 0.00725 -0.00363 O5 3 0.371090 0.205534 0.171405 11.00000 0.02321 0.01893 = 0.02205 0.00171 0.00805 0.00217 O7 3 0.316261 0.781346 0.312903 11.00000 0.01586 0.02457 = 0.01705 -0.00014 0.00559 0.00339 O9 3 0.242968 0.788346 0.301531 11.00000 0.01520 0.05119 = 0.01923 -0.00467 0.00267 0.00518 O4 3 0.394464 0.570613 0.240436 11.00000 0.01546 0.02149 = 0.01267 0.00185 0.00399 -0.00325 O8 3 0.284426 1.141075 0.329055 11.00000 0.04272 0.02833 = 0.02839 0.00957 0.01772 0.01582 C11 1 0.425113 0.161528 0.783702 11.00000 0.01816 0.02023 = 0.02188 0.00065 0.00608 0.00020 AFIX 43 H11 2 0.417282 0.027451 0.753310 11.00000 -1.20000 AFIX 0 C9 1 0.438816 0.327611 0.651322 11.00000 0.01071 0.01831 = 0.01577 0.00079 0.00335 -0.00235 C4 1 0.459518 0.166681 0.615714 11.00000 0.01077 0.01781 = 0.01694 -0.00019 0.00342 -0.00266 C10 1 0.439429 0.338519 0.744493 11.00000 0.01094 0.01874 = 0.01411 0.00236 0.00328 0.00303 C12 1 0.422410 0.182679 0.867043 11.00000 0.02927 0.02645 = 0.02432 0.01040 0.01273 0.00355 AFIX 43 H12 2 0.412351 0.063943 0.891824 11.00000 -1.20000 AFIX 0 C15 1 0.451338 0.537209 0.792048 11.00000 0.02516 0.02015 = 0.01831 0.00200 0.00503 0.00042 AFIX 43 H15 2 0.460748 0.657711 0.766985 11.00000 -1.20000 AFIX 0 C3 1 0.492455 0.003235 0.667278 11.00000 0.01265 0.01981 = 0.01804 0.00217 0.00647 -0.00332 C23 1 0.321484 0.780947 0.637834 11.00000 0.01336 0.02938 = 0.01702 -0.00138 0.00733 0.00042 C8 1 0.415052 0.492301 0.594822 11.00000 0.01326 0.01969 = 0.01828 -0.00035 0.00640 0.00179 AFIX 43 H8 2 0.400835 0.598966 0.616648 11.00000 -1.20000 AFIX 0 C5 1 0.453878 0.173234 0.525908 11.00000 0.01125 0.01767 = 0.01844 -0.00215 0.00520 -0.00019 AFIX 43 H5 2 0.466123 0.060757 0.502389 11.00000 -1.20000 AFIX 0 C17 1 0.390524 0.502625 0.324498 11.00000 0.01453 0.02012 = 0.01180 0.00046 0.00428 -0.00200 AFIX 13 H17 2 0.363314 0.425403 0.315262 11.00000 -1.20000 AFIX 0 C20 1 0.298122 0.858983 0.458017 11.00000 0.01485 0.02076 = 0.01543 0.00147 0.00723 0.00545 C27 1 0.315254 0.527568 0.131497 11.00000 0.01847 0.02044 = 0.00998 0.00013 0.00232 -0.00001 C2 1 0.540849 -0.096318 0.809029 11.00000 0.01465 0.02220 = 0.02067 0.00459 0.00260 0.00705 AFIX 23 H2A 2 0.566107 -0.074742 0.792465 11.00000 -1.20000 H2B 2 0.533050 -0.253247 0.802157 11.00000 -1.20000 AFIX 0 C28 1 0.287141 0.386623 0.153291 11.00000 0.02099 0.01994 = 0.01259 0.00161 0.00508 -0.00098 AFIX 43 H28 2 0.296158 0.246727 0.177667 11.00000 -1.20000 AFIX 0 C6 1 0.430829 0.339987 0.470181 11.00000 0.01009 0.01897 = 0.01498 -0.00050 0.00247 -0.00289 C30 1 0.231910 0.665962 0.102566 11.00000 0.02081 0.03095 = 0.01152 -0.00314 0.00170 0.00313 C24 1 0.302444 0.613573 0.576905 11.00000 0.01762 0.02316 = 0.02279 0.00245 0.00874 -0.00066 AFIX 43 H24 2 0.297693 0.473765 0.597135 11.00000 -1.20000 AFIX 0 C13 1 0.434667 0.380810 0.914088 11.00000 0.03962 0.03610 = 0.01730 0.00450 0.01235 0.00914 AFIX 43 H13 2 0.433038 0.394642 0.970350 11.00000 -1.20000 AFIX 0 C7 1 0.411978 0.501821 0.506944 11.00000 0.00908 0.01833 = 0.01689 0.00263 0.00170 0.00102 C22 1 0.328975 0.986199 0.606261 11.00000 0.01947 0.02538 = 0.02146 -0.00898 0.00580 -0.00180 AFIX 43 H22 2 0.341843 1.099077 0.646032 11.00000 -1.20000 AFIX 0 C31 1 0.260672 0.804170 0.080747 11.00000 0.02576 0.01914 = 0.01490 0.00139 0.00021 0.00330 AFIX 43 H31 2 0.251642 0.943890 0.056201 11.00000 -1.20000 AFIX 0 C26 1 0.333413 0.735910 0.735391 11.00000 0.02454 0.04835 = 0.01881 -0.00020 0.00791 -0.00367 AFIX 137 H26A 2 0.310738 0.654745 0.746290 11.00000 -1.50000 H26B 2 0.337844 0.875243 0.766756 11.00000 -1.50000 H26C 2 0.359235 0.649126 0.755114 11.00000 -1.50000 AFIX 0 C29 1 0.245634 0.456276 0.138401 11.00000 0.02045 0.02933 = 0.01731 0.00164 0.00595 -0.00595 AFIX 43 H29 2 0.226612 0.361918 0.152491 11.00000 -1.20000 AFIX 0 C14 1 0.449257 0.556492 0.876473 11.00000 0.03699 0.02545 = 0.02021 -0.00261 0.00587 0.00247 AFIX 43 H14 2 0.457760 0.688770 0.907821 11.00000 -1.20000 AFIX 0 C16 1 0.427853 0.355303 0.374030 11.00000 0.01631 0.01735 = 0.01544 0.00059 0.00488 0.00121 AFIX 23 H16A 2 0.454155 0.417314 0.370067 11.00000 -1.20000 H16B 2 0.423967 0.207143 0.348047 11.00000 -1.20000 AFIX 0 C19 1 0.358006 0.887365 0.331721 11.00000 0.01870 0.01917 = 0.01783 0.00213 0.00728 -0.00139 AFIX 23 H19A 2 0.360346 1.014505 0.370432 11.00000 -1.20000 H19B 2 0.361206 0.940612 0.277425 11.00000 -1.20000 AFIX 0 C25 1 0.290493 0.650679 0.487288 11.00000 0.01575 0.02261 = 0.02020 -0.00372 0.00548 -0.00045 AFIX 43 H25 2 0.277585 0.538105 0.447399 11.00000 -1.20000 AFIX 0 C21 1 0.317725 1.027623 0.516558 11.00000 0.02118 0.02184 = 0.02375 0.00185 0.00745 0.00275 AFIX 43 H21 2 0.323243 1.165832 0.496198 11.00000 -1.20000 AFIX 0 C32 1 0.302616 0.737237 0.094962 11.00000 0.02289 0.01832 = 0.01291 0.00077 0.00216 -0.00346 AFIX 43 H32 2 0.321671 0.830350 0.080397 11.00000 -1.20000 AFIX 0 C18 1 0.392473 0.720402 0.374927 11.00000 0.01525 0.01979 = 0.01458 0.00269 0.00536 -0.00185 AFIX 13 H18 2 0.420308 0.790816 0.384137 11.00000 -1.20000 AFIX 0 C1 1 0.549397 -0.023064 0.902839 11.00000 0.02882 0.04320 = 0.02042 0.00286 0.00276 0.01584 AFIX 137 H1A 2 0.555894 0.133802 0.908074 11.00000 -1.50000 H1B 2 0.573219 -0.105500 0.941200 11.00000 -1.50000 H1C 2 0.524523 -0.050816 0.919019 11.00000 -1.50000 AFIX 0 C33 1 0.186639 0.742198 0.088500 11.00000 0.02380 0.04394 = 0.02329 0.00082 0.00374 0.01009 AFIX 137 H33A 2 0.183286 0.894442 0.068465 11.00000 -1.50000 H33B 2 0.180978 0.731737 0.142998 11.00000 -1.50000 H33C 2 0.166917 0.648806 0.045108 11.00000 -1.50000 AFIX 0 HKLF 4 REM vg_401_0m_a.res in C2 REM R1 = 0.0317 for 4876 Fo > 4sig(Fo) and 0.0369 for all 5366 data REM 400 parameters refined using 1 restraints END WGHT 0.0342 0.0000 REM Highest difference peak 0.224, deepest hole -0.326, 1-sigma level 0.043 Q1 1 0.2921 0.8966 0.4050 11.00000 0.05 0.22 Q2 1 0.4575 0.2726 0.6440 11.00000 0.05 0.21 Q3 1 0.4493 0.1570 0.5746 11.00000 0.05 0.19 Q4 1 0.4405 0.3365 0.6965 11.00000 0.05 0.19 Q5 1 0.4476 0.4263 0.7716 11.00000 0.05 0.16 Q6 1 0.4280 0.2630 0.7573 11.00000 0.05 0.16 Q7 1 0.4702 0.0811 0.6383 11.00000 0.05 0.14 Q8 1 0.4081 0.4287 0.3494 11.00000 0.05 0.13 Q9 1 0.2920 1.1762 0.2715 11.00000 0.05 0.13 Q10 1 0.1658 0.7723 0.0278 11.00000 0.05 0.13 Q11 1 0.4192 0.3909 0.4860 11.00000 0.05 0.13 Q12 1 0.3694 0.4390 0.0883 11.00000 0.05 0.13 Q13 1 0.4485 0.3095 0.4925 11.00000 0.05 0.13 Q14 1 0.3132 0.7032 0.6168 11.00000 0.05 0.13 Q15 1 0.3092 1.2051 0.3318 11.00000 0.05 0.13 Q16 1 0.3964 0.6050 0.3544 11.00000 0.05 0.13 Q17 1 0.1829 0.9885 0.1254 11.00000 0.05 0.13 Q18 1 0.5000 -0.1300 0.5000 10.50000 0.05 0.12 Q19 1 0.3321 1.1255 0.6741 11.00000 0.05 0.12 Q20 1 0.3985 0.5164 0.2801 11.00000 0.05 0.12 REM The information below was added by Olex2. REM REM R1 = 0.0317 for 4876 Fo > 4sig(Fo) and 0.0369 for all 18035 data REM n/a parameters refined using n/a restraints REM Highest difference peak 0.22, deepest hole -0.33 REM Mean Shift 0, Max Shift 0.000. REM +++ Tabular Listing of Refinement Information +++ REM R1_all = 0.0369 REM R1_gt = 0.0317 REM wR_ref = 0.0709 REM GOOF = 0.991 REM Shift_max = 0.000 REM Shift_mean = 0 REM Reflections_all = 18035 REM Reflections_gt = 4876 REM Parameters = n/a REM Hole = -0.33 REM Peak = 0.22 REM Flack = -0.01(4) ; _cod_data_source_file jo0c00432_si_001.cif _cod_data_source_block vg_401_0m _cod_original_cell_volume 3012.5(8) _cod_database_code 4038404 _shelx_shelxl_version_number 2017/1 _shelx_space_group_comment ; The symmetry employed for this shelxl refinement is uniquely defined by the following loop, which should always be used as a source of symmetry information in preference to the above space-group names. They are only intended as comments. ; _olex2_refinement_description ; 1. Fixed Uiso At 1.2 times of: All C(H) groups, All C(H,H) groups At 1.5 times of: All C(H,H,H) groups 2.a Ternary CH refined with riding coordinates: C17(H17), C18(H18) 2.b Secondary CH2 refined with riding coordinates: C2(H2A,H2B), C16(H16A,H16B), C19(H19A,H19B) 2.c Aromatic/amide H refined with riding coordinates: C11(H11), C12(H12), C15(H15), C8(H8), C5(H5), C28(H28), C24(H24), C13(H13), C22(H22), C31(H31), C29(H29), C14(H14), C25(H25), C21(H21), C32(H32) 2.d Idealised Me refined as rotating group: C26(H26A,H26B,H26C), C1(H1A,H1B,H1C), C33(H33A,H33B,H33C) ; _olex2_submission_special_instructions 'No special instructions were received' loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, y, -z' 'x+1/2, y+1/2, z' '-x+1/2, y+1/2, -z' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_site_symmetry_order _atom_site_calc_flag _atom_site_refinement_flags_posn _atom_site_refinement_flags_adp _atom_site_refinement_flags_occupancy _atom_site_disorder_assembly _atom_site_disorder_group S1 S 0.36846(2) 0.44058(13) 0.15295(4) 0.01663(18) Uani 1 1 d . . . . . S2 S 0.28174(2) 0.90737(14) 0.34394(4) 0.0217(2) Uani 1 1 d . . . . . O3 O 0.38859(6) 0.6759(3) 0.45944(11) 0.0179(5) Uani 1 1 d . . . . . O1 O 0.50565(6) 0.0415(4) 0.75432(11) 0.0219(5) Uani 1 1 d . . . . . O2 O 0.50736(6) -0.1430(4) 0.63461(12) 0.0227(5) Uani 1 1 d . . . . . O6 O 0.38489(6) 0.5295(4) 0.08906(11) 0.0227(5) Uani 1 1 d . . . . . O5 O 0.37109(6) 0.2055(3) 0.17140(13) 0.0213(5) Uani 1 1 d . . . . . O7 O 0.31626(6) 0.7813(4) 0.31290(12) 0.0191(5) Uani 1 1 d . . . . . O9 O 0.24297(6) 0.7883(4) 0.30153(12) 0.0293(6) Uani 1 1 d . . . . . O4 O 0.39446(6) 0.5706(3) 0.24044(11) 0.0167(5) Uani 1 1 d . . . . . O8 O 0.28443(7) 1.1411(4) 0.32906(14) 0.0317(6) Uani 1 1 d . . . . . C11 C 0.42511(9) 0.1615(5) 0.78370(19) 0.0203(7) Uani 1 1 d . . . . . H11 H 0.417282 0.027451 0.753310 0.024 Uiso 1 1 calc R . . . . C9 C 0.43882(8) 0.3276(5) 0.65132(17) 0.0152(6) Uani 1 1 d . . . . . C4 C 0.45952(9) 0.1667(5) 0.61571(17) 0.0155(6) Uani 1 1 d . . . . . C10 C 0.43943(8) 0.3385(5) 0.74449(17) 0.0148(6) Uani 1 1 d . . . . . C12 C 0.42241(10) 0.1827(6) 0.86704(19) 0.0257(7) Uani 1 1 d . . . . . H12 H 0.412351 0.063943 0.891824 0.031 Uiso 1 1 calc R . . . . C15 C 0.45134(9) 0.5372(6) 0.79205(17) 0.0218(7) Uani 1 1 d . . . . . H15 H 0.460748 0.657711 0.766985 0.026 Uiso 1 1 calc R . . . . C3 C 0.49245(8) 0.0032(5) 0.66728(17) 0.0165(6) Uani 1 1 d . . . . . C23 C 0.32148(9) 0.7809(6) 0.63783(18) 0.0194(7) Uani 1 1 d . . . . . C8 C 0.41505(8) 0.4923(5) 0.59482(17) 0.0168(7) Uani 1 1 d . . . . . H8 H 0.400835 0.598966 0.616648 0.020 Uiso 1 1 calc R . . . . C5 C 0.45388(8) 0.1732(5) 0.52591(17) 0.0157(6) Uani 1 1 d . . . . . H5 H 0.466123 0.060757 0.502389 0.019 Uiso 1 1 calc R . . . . C17 C 0.39052(9) 0.5026(5) 0.32450(16) 0.0155(6) Uani 1 1 d . . . . . H17 H 0.363314 0.425403 0.315262 0.019 Uiso 1 1 calc R . . . . C20 C 0.29812(9) 0.8590(5) 0.45802(17) 0.0165(7) Uani 1 1 d . . . . . C27 C 0.31525(8) 0.5276(5) 0.13150(16) 0.0169(6) Uani 1 1 d . . . . . C2 C 0.54085(9) -0.0963(6) 0.80903(16) 0.0200(7) Uani 1 1 d . . . . . H2A H 0.566107 -0.074742 0.792465 0.024 Uiso 1 1 calc R . . . . H2B H 0.533050 -0.253247 0.802157 0.024 Uiso 1 1 calc R . . . . C28 C 0.28714(9) 0.3866(5) 0.15329(16) 0.0180(7) Uani 1 1 d . . . . . H28 H 0.296158 0.246727 0.177667 0.022 Uiso 1 1 calc R . . . . C6 C 0.43083(8) 0.3400(5) 0.47018(17) 0.0151(6) Uani 1 1 d . . . . . C30 C 0.23191(10) 0.6660(6) 0.10257(18) 0.0220(7) Uani 1 1 d . . . . . C24 C 0.30244(9) 0.6136(5) 0.57690(18) 0.0207(7) Uani 1 1 d . . . . . H24 H 0.297693 0.473765 0.597135 0.025 Uiso 1 1 calc R . . . . C13 C 0.43467(10) 0.3808(6) 0.91409(19) 0.0303(8) Uani 1 1 d . . . . . H13 H 0.433038 0.394642 0.970350 0.036 Uiso 1 1 calc R . . . . C7 C 0.41198(8) 0.5018(5) 0.50694(16) 0.0154(6) Uani 1 1 d . . . . . C22 C 0.32897(9) 0.9862(5) 0.60626(18) 0.0224(7) Uani 1 1 d . . . . . H22 H 0.341843 1.099077 0.646032 0.027 Uiso 1 1 calc R . . . . C31 C 0.26067(9) 0.8042(5) 0.08075(17) 0.0216(7) Uani 1 1 d . . . . . H31 H 0.251642 0.943890 0.056201 0.026 Uiso 1 1 calc R . . . . C26 C 0.33341(10) 0.7359(6) 0.73539(18) 0.0304(8) Uani 1 1 d . . . . . H26A H 0.310738 0.654745 0.746290 0.046 Uiso 1 1 calc GR . . . . H26B H 0.337844 0.875243 0.766756 0.046 Uiso 1 1 calc GR . . . . H26C H 0.359235 0.649126 0.755114 0.046 Uiso 1 1 calc GR . . . . C29 C 0.24563(9) 0.4563(6) 0.13840(17) 0.0225(7) Uani 1 1 d . . . . . H29 H 0.226612 0.361918 0.152491 0.027 Uiso 1 1 calc R . . . . C14 C 0.44926(10) 0.5565(6) 0.87647(19) 0.0285(8) Uani 1 1 d . . . . . H14 H 0.457760 0.688770 0.907821 0.034 Uiso 1 1 calc R . . . . C16 C 0.42785(9) 0.3553(5) 0.37403(17) 0.0165(6) Uani 1 1 d . . . . . H16A H 0.454155 0.417314 0.370067 0.020 Uiso 1 1 calc R . . . . H16B H 0.423967 0.207143 0.348047 0.020 Uiso 1 1 calc R . . . . C19 C 0.35801(9) 0.8874(5) 0.33172(17) 0.0183(7) Uani 1 1 d . . . . . H19A H 0.360346 1.014505 0.370432 0.022 Uiso 1 1 calc R . . . . H19B H 0.361206 0.940612 0.277425 0.022 Uiso 1 1 calc R . . . . C25 C 0.29049(9) 0.6507(5) 0.48729(18) 0.0197(7) Uani 1 1 d . . . . . H25 H 0.277585 0.538105 0.447399 0.024 Uiso 1 1 calc R . . . . C21 C 0.31773(9) 1.0276(6) 0.51656(18) 0.0223(7) Uani 1 1 d . . . . . H21 H 0.323243 1.165832 0.496198 0.027 Uiso 1 1 calc R . . . . C32 C 0.30262(9) 0.7372(5) 0.09496(17) 0.0190(7) Uani 1 1 d . . . . . H32 H 0.321671 0.830350 0.080397 0.023 Uiso 1 1 calc R . . . . C18 C 0.39247(9) 0.7204(5) 0.37493(17) 0.0165(7) Uani 1 1 d . . . . . H18 H 0.420308 0.790816 0.384137 0.020 Uiso 1 1 calc R . . . . C1 C 0.54940(10) -0.0231(6) 0.90284(18) 0.0322(9) Uani 1 1 d . . . . . H1A H 0.555894 0.133802 0.908074 0.048 Uiso 1 1 calc GR . . . . H1B H 0.573219 -0.105500 0.941200 0.048 Uiso 1 1 calc GR . . . . H1C H 0.524523 -0.050816 0.919019 0.048 Uiso 1 1 calc GR . . . . C33 C 0.18664(10) 0.7422(6) 0.0885(2) 0.0314(8) Uani 1 1 d . . . . . H33A H 0.183286 0.894442 0.068465 0.047 Uiso 1 1 calc GR . . . . H33B H 0.180978 0.731737 0.142998 0.047 Uiso 1 1 calc GR . . . . H33C H 0.166917 0.648806 0.045108 0.047 Uiso 1 1 calc GR . . . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 S1 0.0160(4) 0.0205(4) 0.0129(3) 0.0006(3) 0.0042(3) -0.0016(3) S2 0.0202(4) 0.0303(5) 0.0150(3) 0.0033(3) 0.0066(3) 0.0093(3) O3 0.0212(11) 0.0192(12) 0.0138(9) 0.0044(9) 0.0067(8) 0.0072(9) O1 0.0204(11) 0.0275(13) 0.0148(9) 0.0017(9) 0.0020(8) 0.0108(10) O2 0.0231(11) 0.0232(13) 0.0201(10) -0.0007(9) 0.0051(9) 0.0082(10) O6 0.0210(11) 0.0321(13) 0.0158(9) 0.0006(10) 0.0073(8) -0.0036(10) O5 0.0232(11) 0.0189(12) 0.0220(10) 0.0017(9) 0.0080(9) 0.0022(10) O7 0.0159(10) 0.0246(13) 0.0171(10) -0.0001(9) 0.0056(8) 0.0034(9) O9 0.0152(11) 0.0512(16) 0.0192(10) -0.0047(11) 0.0027(9) 0.0052(11) O4 0.0155(10) 0.0215(12) 0.0127(9) 0.0018(9) 0.0040(8) -0.0033(9) O8 0.0427(15) 0.0283(15) 0.0284(12) 0.0096(11) 0.0177(11) 0.0158(11) C11 0.0182(15) 0.0202(18) 0.0219(15) 0.0007(14) 0.0061(12) 0.0002(13) C9 0.0107(13) 0.0183(16) 0.0158(13) 0.0008(13) 0.0034(11) -0.0023(13) C4 0.0108(14) 0.0178(16) 0.0169(14) -0.0002(13) 0.0034(11) -0.0027(12) C10 0.0109(13) 0.0187(16) 0.0141(13) 0.0024(13) 0.0033(11) 0.0030(13) C12 0.0293(17) 0.0265(19) 0.0243(16) 0.0104(15) 0.0127(14) 0.0035(15) C15 0.0252(16) 0.0201(17) 0.0183(14) 0.0020(14) 0.0050(12) 0.0004(14) C3 0.0127(14) 0.0198(17) 0.0180(13) 0.0022(13) 0.0065(11) -0.0033(13) C23 0.0134(14) 0.029(2) 0.0170(14) -0.0014(14) 0.0073(12) 0.0004(13) C8 0.0133(14) 0.0197(18) 0.0183(13) -0.0004(13) 0.0064(11) 0.0018(12) C5 0.0113(14) 0.0177(16) 0.0184(14) -0.0022(13) 0.0052(11) -0.0002(13) C17 0.0145(14) 0.0201(18) 0.0118(12) 0.0005(12) 0.0043(11) -0.0020(13) C20 0.0148(14) 0.0208(18) 0.0154(13) 0.0015(12) 0.0072(11) 0.0054(13) C27 0.0185(14) 0.0204(17) 0.0100(12) 0.0001(13) 0.0023(11) 0.0000(13) C2 0.0147(14) 0.0222(18) 0.0207(14) 0.0046(14) 0.0026(11) 0.0070(13) C28 0.0210(15) 0.0199(19) 0.0126(13) 0.0016(13) 0.0051(11) -0.0010(13) C6 0.0101(13) 0.0190(16) 0.0150(13) -0.0005(12) 0.0025(11) -0.0029(12) C30 0.0208(16) 0.0309(19) 0.0115(13) -0.0031(14) 0.0017(12) 0.0031(15) C24 0.0176(15) 0.0232(19) 0.0228(15) 0.0025(14) 0.0087(13) -0.0007(13) C13 0.0396(19) 0.036(2) 0.0173(14) 0.0045(15) 0.0124(14) 0.0091(17) C7 0.0091(13) 0.0183(17) 0.0169(13) 0.0026(13) 0.0017(11) 0.0010(12) C22 0.0195(15) 0.025(2) 0.0215(14) -0.0090(14) 0.0058(12) -0.0018(14) C31 0.0258(16) 0.0191(18) 0.0149(14) 0.0014(13) 0.0002(12) 0.0033(15) C26 0.0245(17) 0.048(2) 0.0188(16) -0.0002(16) 0.0079(13) -0.0037(16) C29 0.0205(15) 0.029(2) 0.0173(13) 0.0016(14) 0.0059(11) -0.0060(14) C14 0.0370(19) 0.025(2) 0.0202(15) -0.0026(15) 0.0059(14) 0.0025(16) C16 0.0163(14) 0.0174(17) 0.0154(13) 0.0006(12) 0.0049(11) 0.0012(12) C19 0.0187(15) 0.0192(18) 0.0178(13) 0.0021(13) 0.0073(11) -0.0014(13) C25 0.0157(15) 0.0226(18) 0.0202(15) -0.0037(13) 0.0055(12) -0.0005(13) C21 0.0212(16) 0.0218(18) 0.0238(15) 0.0018(15) 0.0074(12) 0.0027(15) C32 0.0229(16) 0.0183(17) 0.0129(14) 0.0008(13) 0.0022(12) -0.0035(13) C18 0.0152(15) 0.0198(18) 0.0146(13) 0.0027(12) 0.0054(11) -0.0018(13) C1 0.0288(17) 0.043(3) 0.0204(15) 0.0029(16) 0.0028(13) 0.0158(17) C33 0.0238(17) 0.044(2) 0.0233(16) 0.0008(16) 0.0037(14) 0.0101(16) loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle_publ_flag O6 S1 O5 120.42(13) . . ? O6 S1 O4 103.53(11) . . ? O6 S1 C27 110.55(12) . . ? O5 S1 O4 108.61(11) . . ? O5 S1 C27 108.52(14) . . ? O4 S1 C27 103.85(12) . . ? O7 S2 C20 104.45(12) . . ? O9 S2 O7 104.02(13) . . ? O9 S2 C20 109.31(13) . . ? O8 S2 O7 108.67(13) . . ? O8 S2 O9 120.36(15) . . ? O8 S2 C20 108.82(14) . . ? C7 O3 C18 117.2(2) . . ? C3 O1 C2 116.7(2) . . ? C19 O7 S2 117.62(18) . . ? C17 O4 S1 119.72(17) . . ? C12 C11 C10 120.9(3) . . ? C4 C9 C10 126.4(2) . . ? C8 C9 C4 117.6(2) . . ? C8 C9 C10 116.0(2) . . ? C9 C4 C3 125.8(2) . . ? C5 C4 C9 119.2(3) . . ? C5 C4 C3 114.4(3) . . ? C11 C10 C9 122.0(3) . . ? C11 C10 C15 118.3(3) . . ? C15 C10 C9 119.6(3) . . ? C11 C12 C13 120.3(3) . . ? C14 C15 C10 120.6(3) . . ? O1 C3 C4 113.0(3) . . ? O2 C3 O1 122.8(3) . . ? O2 C3 C4 124.1(2) . . ? C24 C23 C26 120.2(3) . . ? C22 C23 C24 118.2(2) . . ? C22 C23 C26 121.6(3) . . ? C7 C8 C9 121.9(3) . . ? C6 C5 C4 122.9(3) . . ? O4 C17 C16 109.8(2) . . ? O4 C17 C18 104.8(2) . . ? C16 C17 C18 109.6(2) . . ? C25 C20 S2 118.5(2) . . ? C21 C20 S2 120.1(2) . . ? C21 C20 C25 121.4(3) . . ? C28 C27 S1 119.1(2) . . ? C28 C27 C32 121.5(3) . . ? C32 C27 S1 119.4(2) . . ? O1 C2 C1 106.5(2) . . ? C29 C28 C27 119.3(3) . . ? C5 C6 C7 117.0(2) . . ? C5 C6 C16 122.4(3) . . ? C7 C6 C16 120.5(2) . . ? C31 C30 C33 120.9(3) . . ? C29 C30 C31 118.9(3) . . ? C29 C30 C33 120.3(3) . . ? C25 C24 C23 121.6(3) . . ? C14 C13 C12 119.4(3) . . ? O3 C7 C8 115.8(2) . . ? O3 C7 C6 122.9(2) . . ? C8 C7 C6 121.2(3) . . ? C23 C22 C21 121.5(3) . . ? C32 C31 C30 121.3(3) . . ? C28 C29 C30 120.8(3) . . ? C13 C14 C15 120.5(3) . . ? C17 C16 C6 109.5(2) . . ? O7 C19 C18 109.2(2) . . ? C24 C25 C20 118.7(3) . . ? C20 C21 C22 118.7(3) . . ? C27 C32 C31 118.2(3) . . ? O3 C18 C17 110.3(2) . . ? O3 C18 C19 105.4(2) . . ? C19 C18 C17 115.6(2) . . ? loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag S1 O6 1.420(2) . ? S1 O5 1.433(2) . ? S1 O4 1.5872(19) . ? S1 C27 1.760(3) . ? S2 O7 1.586(2) . ? S2 O9 1.428(2) . ? S2 O8 1.426(2) . ? S2 C20 1.757(3) . ? O3 C7 1.369(3) . ? O3 C18 1.435(3) . ? O1 C3 1.341(3) . ? O1 C2 1.459(3) . ? O2 C3 1.209(3) . ? O7 C19 1.460(3) . ? O4 C17 1.462(3) . ? C11 C10 1.396(4) . ? C11 C12 1.382(4) . ? C9 C4 1.412(4) . ? C9 C10 1.496(4) . ? C9 C8 1.392(4) . ? C4 C3 1.493(4) . ? C4 C5 1.396(4) . ? C10 C15 1.397(4) . ? C12 C13 1.392(5) . ? C15 C14 1.390(4) . ? C23 C24 1.396(4) . ? C23 C22 1.383(4) . ? C23 C26 1.511(4) . ? C8 C7 1.386(4) . ? C5 C6 1.387(4) . ? C17 C16 1.511(4) . ? C17 C18 1.525(4) . ? C20 C25 1.385(4) . ? C20 C21 1.385(4) . ? C27 C28 1.387(4) . ? C27 C32 1.389(4) . ? C2 C1 1.507(4) . ? C28 C29 1.381(4) . ? C6 C7 1.389(4) . ? C6 C16 1.522(4) . ? C30 C31 1.394(4) . ? C30 C29 1.392(4) . ? C30 C33 1.512(4) . ? C24 C25 1.381(4) . ? C13 C14 1.380(5) . ? C22 C21 1.388(4) . ? C31 C32 1.391(4) . ? C19 C18 1.502(4) . ? loop_ _refln_index_h _refln_index_k _refln_index_l _refln_F_squared_meas _refln_F_squared_sigma 0 0 -1 -0.24 0.32 0 0 -1 -0.08 0.12 0 0 -1 0.12 0.24 0 0 -1 0.04 0.24 0 0 -1 -0.08 0.28 0 0 1 0.04 0.28 0 0 1 -0.04 0.12 0 0 1 -0.08 0.28 0 0 1 -0.2 0.28 0 0 1 -0.16 0.28 0 0 -2 633.32 7.38 0 0 -2 581.87 6.51 0 0 -2 786.37 7.93 0 0 -2 707.38 7.46 0 0 2 739.45 8.01 0 0 2 598.88 4.77 0 0 2 609.06 6.71 0 0 2 757.84 7.69 0 0 2 773.66 7.81 0 0 -3 188.08 3.43 0 0 -3 213.96 5.48 0 0 3 195.3 5.44 0 0 3 159.59 3.16 0 0 3 164.33 4.54 0 0 3 210.21 5.37 0 0 -4 3387.43 16.06 0 0 -4 3685.16 24.26 0 0 4 3601.08 25.01 0 0 4 2814.44 14.52 0 0 4 2976.4 20.87 0 0 4 3675.1 24.03 0 0 -5 1758.64 12.94 0 0 -5 1913.42 19.77 0 0 5 1903.67 20.52 0 0 5 1392.5 11.44 0 0 5 1587.21 17.16 0 0 5 1908.25 19.49 0 0 -6 360.53 6.59 0 0 -6 376.59 10.14 0 0 6 393.75 10.61 0 0 6 334.81 8.96 0 0 6 383.18 9.94 0 0 -7 1077.81 12.03 0 0 -7 1097.62 18.11 0 0 7 1134.87 19.1 0 0 7 929.23 15.78 0 0 7 1127.33 17.99 0 0 -8 410.56 8.09 0 0 -8 416.8 12.43 0 0 8 453.65 13.3 0 0 8 383.61 11.17 0 0 8 439.76 12.35 0 0 -9 125.62 5.01 0 0 -9 142.39 8.48 0 0 9 142.31 8.56 0 0 9 121.32 7.14 0 0 9 145.47 8.05 0 0 -10 169.97 6.08 0 0 -10 186.97 10.06 0 0 10 198.06 10.42 0 0 10 167.72 9.43 0 0 10 172.77 8.84 0 0 10 185.55 9.39 0 0 -11 10.93 2.56 0 0 -11 6.27 4.18 0 0 11 10.02 4.06 0 0 11 9.19 3.67 0 0 11 9.78 3.47 0 0 11 4.42 2.96 0 0 -12 271.88 8.13 0 0 -12 312.04 14.05 0 0 12 319.86 14.6 0 0 12 306.01 14.16 0 0 12 301.79 13.02 0 0 12 316.66 13.26 0 0 -13 147.56 12.11 0 0 13 164.29 13.1 0 0 13 148.43 12.39 0 0 13 151.23 11.68 0 0 13 163.81 10.81 0 0 -14 5.33 5.13 0 0 14 14.48 5.64 0 0 14 16.97 5.96 0 0 14 10.81 5.25 0 0 14 7.18 4.1 0 0 -15 3.87 5.29 0 0 15 1.97 4.93 0 0 15 7.65 5.72 0 0 15 7.77 4.89 0 0 15 4.93 3.87 0 0 -16 130.83 12.59 0 0 16 120.3 12.31 0 0 16 120.57 11.72 0 0 16 111.7 10.38 0 0 16 118.8 10.89 0 0 -17 71.06 10.97 0 0 17 84.24 11.92 0 0 17 97.22 12.7 0 0 17 76.3 10.38 0 0 17 94.3 10.89 0 0 -18 55.75 10.22 0 0 18 57.09 10.65 0 0 18 55.12 10.49 0 0 18 53.62 9 0 0 18 66.68 10.26 0 -2 0 256.57 7.61 0 -2 0 258.94 7.77 0 2 0 283.16 7.26 0 2 0 275.12 7.69 0 -2 -1 59.02 4.73 0 -2 1 61.39 4.46 0 -2 1 58.94 4.26 0 2 1 60.21 3.79 0 2 1 55.71 4.22 0 2 1 63.68 2.33 0 -2 -2 126.21 6.35 0 -2 -2 114.97 2.8 0 -2 2 123.57 5.72 0 -2 2 122.11 5.44 0 2 2 104.71 4.93 0 2 2 109.17 5.68 0 2 2 122.9 4.1 0 -2 -3 1030.07 16.57 0 -2 3 900.59 14.36 0 -2 3 841.17 12.35 0 2 -3 1059.27 7.73 0 2 -3 1003.44 7.5 0 2 3 792.84 12.94 0 2 3 967.97 16.06 0 2 3 1071.42 13.1 0 -2 -4 783.68 15.03 0 -2 -4 745.29 11.4 0 -2 4 772.79 14.05 0 2 -4 794.1 9.43 0 2 4 564.43 11.76 0 2 4 710.22 14.6 0 2 4 810.12 13.02 0 -2 -5 28.96 4.58 0 -2 -5 29.79 3.79 0 -2 5 24.15 3.75 0 2 -5 30.42 3.16 0 2 5 24.74 3.75 0 2 5 26.95 4.18 0 2 5 26.75 3.51 0 -2 -6 497.87 12.86 0 -2 -6 521.78 12.07 0 -2 6 500.87 12.78 0 -2 6 518.51 7.81 0 -2 6 522.53 7.89 0 2 -6 530.39 10.77 0 2 6 416.64 11.95 0 2 6 449.5 13.22 0 2 6 524.74 12.74 0 -2 -7 24.66 4.3 0 -2 -7 22.41 4.02 0 -2 7 21.38 3.98 0 -2 7 24.3 3 0 2 -7 22.49 3.59 0 2 7 21.98 4.26 0 2 7 16.89 3.95 0 2 7 20.56 3.83 0 -2 -8 145.07 7.93 0 -2 -8 146.65 8.21 0 -2 8 144.05 8.17 0 -2 8 146.02 7.22 0 -2 8 145.59 6.04 0 2 -8 162.79 7.81 0 2 8 133.16 8.05 0 2 8 139 8.4 0 2 8 168.9 8.72 0 -2 -9 42.93 5.76 0 -2 -9 51.25 6.63 0 -2 9 54.17 6.27 0 -2 9 51.88 5.44 0 -2 9 49.16 4.58 0 2 -9 41.55 5.33 0 2 9 44.82 6.08 0 2 9 44.35 6.12 0 2 9 55.75 6 0 -2 -10 266.87 11.05 0 -2 -10 284.74 12.27 0 -2 10 284.98 12.31 0 -2 10 266.91 10.42 0 -2 10 283.83 9.63 0 2 -10 282.34 11.44 0 2 10 251.32 11.84 0 2 10 245.05 11.92 0 2 10 278.43 12.19 0 -2 -11 452.74 14.36 0 -2 -11 487.02 16.53 0 -2 11 497.13 16.93 0 -2 11 457.79 14.05 0 -2 11 504.27 13.41 0 2 -11 491.6 15.82 0 2 11 500.68 17.04 0 2 11 437.63 16.37 0 2 11 513.18 17.16 0 -2 -12 149.1 9.98 0 -2 -12 148.66 11.99 0 -2 12 164.41 12.11 0 -2 12 171.11 10.42 0 -2 12 170.6 9.04 0 2 -12 174.86 11.09 0 2 12 193.56 12.82 0 2 12 161.72 11.6 0 2 12 164.33 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9.94 7 -5 7 37.4 7.77 7 5 7 46 8.05 7 5 7 44.78 7.14 -7 -5 -8 36.06 8.84 7 -5 8 22.65 6.71 7 5 8 29.75 7.22 7 5 8 34.29 6.63 -7 -5 -9 11.68 7.69 7 -5 9 11.52 6 7 5 9 13.97 5.92 7 5 9 16.41 5.29 -7 -5 -10 98.68 12.07 7 -5 10 108.66 12.03 7 5 10 103.02 11.76 7 5 10 134.07 11.36 -7 -5 -11 6.94 7.34 7 -5 11 2.09 5.29 7 5 11 2.33 5.05 7 5 11 5.01 4.62 -7 7 3 26.67 7.77 -7 7 2 18.23 7.06 -7 7 2 28.96 8.05 7 -7 -2 14.68 7.22 -7 7 1 31.76 8.01 -7 7 1 40.76 8.72 7 -7 -1 17.91 7.22 -7 -7 0 79.38 12.15 -7 7 0 87.94 12.03 -7 7 0 64.98 10.02 7 -7 0 84.59 11.92 7 7 0 80.72 10.93 -8 0 19 7.61 6.9 -8 0 19 -0.2 5.6 -8 0 19 5.44 5.01 8 0 -19 3.55 6.79 -8 0 18 59.85 10.42 -8 0 18 65.93 10.3 -8 0 18 54.13 9.39 8 0 -18 63.17 10.69 -8 0 17 46.75 8.92 -8 0 17 49.67 8.96 -8 0 17 56.42 8.92 8 0 -17 48.73 9.27 -8 0 16 12.51 6.12 -8 0 16 10.57 5.68 -8 0 16 7.06 4.5 -8 0 16 12.98 5.09 8 0 -16 11.6 6.04 -8 0 15 51.8 8.96 -8 0 15 58.2 8.6 -8 0 15 42.97 6.87 -8 0 15 64.07 7.97 8 0 -15 35.79 7.1 -8 0 14 26.36 6.59 -8 0 14 17.08 4.66 -8 0 14 21.46 5.33 8 0 -14 20.16 4.89 8 0 -14 10.14 5.41 -8 0 13 406.38 16.41 -8 0 13 358.32 12.51 -8 0 13 397.78 14.87 8 0 -13 350.04 11.88 8 0 -13 405.87 15.98 -8 0 12 137.22 9.78 -8 0 12 108.46 6.9 -8 0 12 130.95 8.84 8 0 -12 113.16 7.1 8 0 -12 121.95 9.35 -8 0 11 62.42 7.18 -8 0 11 56.93 5.21 -8 0 11 58.98 6.23 8 0 -11 45.45 4.97 8 0 -11 42.22 5.96 -8 0 10 739.57 18.23 -8 0 10 621.68 13.14 -8 0 10 819.74 18.15 8 0 -10 654.94 14.28 8 0 -10 746.75 17.75 -8 0 9 186.38 9.47 -8 0 9 177.19 7.02 -8 0 9 214 9.23 8 0 -9 176.83 7.61 8 0 -9 206.54 9.47 -8 0 8 1445.13 22.61 -8 0 8 1391.36 17.04 -8 0 8 1667.82 22.92 8 0 -8 1223.12 18.58 8 0 -8 1620.59 23.32 -8 0 7 632.14 13.85 -8 0 7 639.75 10.49 -8 0 7 727.3 14.4 8 0 -7 551.06 11.8 8 0 -7 722.13 14.6 -8 0 6 369.37 9.98 -8 0 6 391.9 7.54 -8 0 6 440.07 10.61 8 0 -6 446.66 10.89 -8 0 5 33.22 3.75 -8 0 5 32.63 2.64 -8 0 5 32.51 3.83 8 0 -5 36.93 4.18 -8 0 4 49.95 3.75 -8 0 4 68.22 3.08 -8 0 4 69.32 4.46 8 0 -4 74.02 4.66 -8 0 3 269.2 6.43 -8 0 3 373.51 5.96 -8 0 3 366.77 8.13 8 0 -3 384.96 8.32 -8 0 2 3645.62 20.2 -8 0 2 4118.25 17.6 -8 0 2 4661.26 24.03 -8 0 2 4548.1 26.2 8 0 -2 4594.93 22.53 8 0 -2 4685.44 26.59 -8 0 1 2041.09 14.44 -8 0 1 2258.53 14.05 -8 0 1 2258.09 18.46 8 0 -1 2225.54 14.05 8 0 -1 2306.34 16.93 8 0 -1 2262.12 18.43 -8 0 0 845.74 11.88 8 0 0 838.96 9.94 8 0 0 843.18 11.44 8 0 0 833.91 11.68 8 0 1 36.02 3 8 0 1 41.19 3.87 -8 0 -2 61.35 4.77 8 0 2 53.42 3.87 8 0 2 51.17 4.06 8 0 2 56.34 4.34 8 0 3 1.97 1.74 8 0 3 3 2.01 8 0 3 2.6 1.93 -8 0 -4 214.67 8.29 8 0 4 214.24 8.13 8 0 4 183.46 7.77 8 0 4 216.8 8.09 -8 0 -5 13.3 3.75 8 0 5 11.56 3.35 8 0 5 9.63 3.12 8 0 5 12.74 3.16 -8 0 -6 57.29 6.12 8 0 6 54.72 5.33 8 0 6 45.96 5.09 8 0 6 57.17 5.52 -8 0 -7 55.91 6.27 8 0 7 49.12 5.6 8 0 7 40.2 5.41 8 0 7 33.89 4.93 -8 0 -8 196.6 10.3 8 0 8 184.8 9.94 8 0 8 171.19 9.39 8 0 8 195.61 9.63 -8 0 -9 447.96 15.47 8 0 9 431.32 15.51 8 0 9 436.05 15.23 8 0 9 472.51 15.11 -8 0 -10 133.2 10.14 8 0 10 119.43 9.55 8 0 10 102.54 8.92 8 0 10 126.69 8.96 -8 0 -11 21.78 6.15 8 0 11 13.57 5.25 8 0 11 17.56 5.44 8 0 11 21.5 5.48 -8 0 -12 64.98 9.23 8 0 12 62.38 9.04 8 0 12 69.48 8.6 8 0 12 59.3 7.97 -8 0 -13 51.61 8.92 8 0 13 53.74 8.92 8 0 13 40.36 7.54 8 0 13 62.46 8.72 -8 0 -14 11.32 6.39 8 0 14 12.11 5.76 8 0 14 7.81 4.97 8 0 14 13.22 5.37 -8 0 -15 31.09 8.29 8 0 15 55.04 10.3 8 0 15 57.56 9.82 8 0 15 52.63 8.84 -8 0 -16 41.7 9.63 8 0 16 45.33 9.63 8 0 16 37.24 8.4 8 0 16 43.64 8.56 -8 -2 18 48.02 8.88 -8 2 18 50.98 10.49 -8 2 18 43.91 8.72 -8 2 18 48.21 9.27 8 -2 -18 42.53 9.07 8 2 -18 42.37 9.27 -8 -2 17 168.08 13.38 -8 -2 17 199.76 12.7 -8 2 17 183.03 15.82 -8 2 17 169.22 13.61 -8 2 17 210.02 14.72 8 -2 -17 190.68 15.07 8 2 -17 177.31 14.64 -8 -2 16 46.95 8.13 -8 -2 16 38.98 6.47 -8 2 16 37.17 8.32 -8 2 16 32.43 7.1 -8 2 16 33.93 7.14 8 -2 -16 37.24 7.42 8 -2 -16 45.37 8.76 8 2 -16 42.89 8.44 -8 -2 15 51.92 8.17 -8 -2 15 59.42 7.22 -8 2 15 49.87 9.07 -8 2 15 45.92 8.01 -8 2 15 75.87 10.06 8 -2 -15 53.46 8.21 8 -2 -15 49.44 8.6 8 2 -15 63.64 9.19 -8 -2 14 107.67 10.69 -8 -2 14 120.93 9.9 -8 -2 14 122.94 8.48 -8 2 14 107.95 11.24 -8 2 14 104.71 9.94 -8 2 14 126.57 10.53 8 -2 -14 111.97 9.82 8 -2 -14 127.67 11.13 8 2 -14 120.02 10.69 -8 -2 13 57.56 8.13 -8 -2 13 52.63 7.22 -8 -2 13 71.25 6.71 -8 2 13 57.29 8.68 -8 2 13 62.54 8.25 -8 2 13 67.11 8.13 8 -2 -13 50.66 7.65 8 -2 -13 56.93 7.97 8 2 -13 62.89 8.36 -8 -2 12 211.99 11.99 -8 -2 12 204.53 10.49 -8 -2 12 187.25 9 -8 2 12 161.68 11.24 -8 2 12 172.18 10.49 -8 2 12 201.34 11.48 8 -2 -12 189.14 11.01 8 -2 -12 197.51 11.56 8 2 -12 194.35 11.05 -8 -2 11 524.74 16.89 -8 -2 11 505.92 14.6 -8 -2 11 513.18 13.18 -8 2 11 430.72 15.94 -8 2 11 457.71 15.31 -8 2 11 520.01 16.65 8 -2 -11 477.63 15.51 8 -2 -11 533.7 16.41 8 2 -11 519.89 15.62 -8 -2 10 38.39 6.08 -8 -2 10 36.42 5.09 -8 -2 10 35.11 4.5 -8 2 10 29.67 5.84 -8 2 10 31.37 5.44 -8 2 10 40.13 5.76 8 -2 -10 30.93 5.72 8 -2 -10 33.69 5.92 8 2 -10 34.92 5.37 -8 -2 9 8.32 3.27 -8 -2 9 5.44 2.56 -8 -2 9 5.72 2.37 -8 2 9 3.27 2.92 -8 2 9 2.37 2.56 -8 2 9 7.81 3.16 8 -2 -9 3.98 3.12 8 -2 -9 1.34 2.56 8 2 -9 4.18 2.76 -8 -2 8 6.39 2.8 -8 -2 8 5.21 2.41 -8 -2 8 8.64 2.41 -8 2 8 9.78 3.43 -8 2 8 4.7 2.72 -8 2 8 7.34 3 8 -2 -8 6.83 3.16 8 -2 -8 8.01 3.04 8 2 -8 6.19 2.72 -8 -2 7 50.11 4.22 -8 -2 7 58.23 3.87 -8 2 7 52.75 5.29 -8 2 7 48.02 5.13 8 -2 -7 48.45 5.68 8 -2 -7 50.82 5.29 8 2 -7 40.09 2.29 8 2 -7 58.94 4.97 -8 -2 6 219.37 6.67 -8 -2 6 232.35 6.08 -8 2 6 169.22 9.35 -8 2 6 202.91 9.11 -8 2 6 213.09 8.32 8 -2 -6 239.13 8.32 8 2 -6 202.01 3.98 8 2 -6 236.77 7.81 -8 -2 5 380.77 7.97 -8 -2 5 425.04 7.38 -8 -2 5 422.4 7.22 -8 2 5 323.45 10.81 -8 2 5 358.96 11.01 -8 2 5 407.21 10.38 8 -2 -5 404.53 12.55 8 -2 -5 416.36 10.42 8 2 -5 395.49 5.48 8 2 -5 380.81 5.29 8 2 -5 442.8 9.43 -8 -2 4 148.82 4.73 -8 -2 4 172.46 4.34 -8 -2 4 173.8 4.26 -8 2 4 136.35 7.26 -8 2 4 155.73 7.42 -8 2 4 168.27 6.55 8 -2 -4 164.41 7.77 8 -2 -4 170.56 5.96 8 2 -4 149.89 3.91 8 2 -4 167.76 5.8 -8 -2 3 0.87 1.42 -8 -2 3 1.26 1.1 -8 -2 3 0.55 0.95 -8 2 3 -2.45 2.05 -8 2 3 0.99 1.66 8 -2 -3 1.89 2.45 8 -2 -3 2.96 2.13 8 -2 -3 1.03 1.34 8 2 -3 1.3 1.1 -8 -2 2 153.48 3.95 -8 -2 2 145.31 3.83 -8 2 2 146.26 7.22 -8 2 2 150.04 5.48 8 -2 -2 149.85 7.3 8 -2 -2 141.88 6.71 8 -2 -2 153.87 4.42 8 -2 -2 137.66 4.3 8 2 -2 144.44 4.77 8 2 -2 170.36 5.52 -8 -2 1 42.18 2.76 -8 -2 1 38.82 2.76 -8 2 1 43.08 4.93 -8 2 1 47.5 3.55 8 -2 -1 36.57 4.5 8 -2 -1 41.15 4.06 8 -2 -1 42.65 2.45 8 2 -1 45.37 3.35 8 2 -1 51.49 3.63 -8 -2 0 378.01 7.38 -8 2 0 379.75 10.93 -8 2 0 399.08 7.89 8 -2 0 351.89 10.46 8 -2 0 387.95 9.55 8 -2 0 391.47 5.29 8 -2 0 397.42 5.33 8 2 0 382.35 9.19 8 2 0 424.13 8.96 -8 -2 -1 115.29 6.83 -8 -2 -1 117.81 5.05 -8 2 -1 119.27 4.89 8 -2 1 111.34 6.67 8 -2 1 119.86 5.41 8 -2 1 119.07 3.27 8 -2 1 115.64 3.24 8 2 1 113.71 5.84 8 2 1 131.19 5.76 -8 -2 -2 287.46 10.02 -8 -2 -2 268.09 7.93 -8 2 -2 262.81 7.1 8 -2 2 272.91 9.94 8 -2 2 282.18 7.5 8 -2 2 287.39 5.44 8 -2 2 283.6 5.44 8 2 2 271.05 9.15 8 2 2 303.72 8.84 -8 -2 -3 493.1 12.86 -8 -2 -3 437.59 10.81 -8 2 -3 437.39 9.9 8 -2 3 422.48 12.51 8 -2 3 445.28 8.68 8 -2 3 440 7.58 8 2 3 445.87 9.11 8 2 3 394.11 12.11 8 2 3 471.4 11.72 -8 -2 -4 217.31 9.15 -8 -2 -4 224.22 8.6 -8 2 -4 240.83 8.09 8 -2 4 231.12 9.86 8 -2 4 236.06 5.84 8 -2 4 235.38 6.43 8 2 4 239.76 7.42 8 2 4 221.22 9.47 8 2 4 253.14 9.35 -8 -2 -5 42.14 5.09 -8 -2 -5 36.69 4.77 -8 2 -5 36.77 4.62 8 -2 5 37.13 5.41 8 -2 5 35.11 2.45 8 -2 5 38.39 3.71 8 2 5 43.01 4.38 8 2 5 32.59 4.85 8 2 5 45.45 5.17 -8 -2 -6 68.41 6 -8 -2 -6 79.74 6.75 -8 2 -6 81.87 6.15 8 -2 6 73.54 6.59 8 -2 6 75.59 4.93 8 2 6 80.57 5.84 8 2 6 71.25 6.39 8 2 6 73.5 6.47 -8 -2 -7 131.7 7.89 -8 2 -7 122.43 7.73 8 -2 7 129.33 8.88 8 -2 7 125.58 8.6 8 -2 7 127.4 6.55 8 2 7 130.48 7.54 8 2 7 114.93 8.44 8 2 7 131.3 8.4 -8 -2 -8 69.36 6.47 -8 2 -8 75.28 7.06 8 -2 8 51.01 6.83 8 -2 8 69.68 6.98 8 -2 8 67.31 5.68 8 2 8 78.75 6.67 8 2 8 69.52 7.34 8 2 8 78.67 7.3 -8 -2 -9 123.45 8.17 -8 -2 -9 118.4 9.43 -8 2 -9 122.19 8.92 8 -2 9 117.1 9.47 8 -2 9 119.11 9.04 8 -2 9 126.77 7.5 8 2 9 125.94 8.68 8 2 9 123.02 9.59 8 2 9 122.58 9.19 -8 -2 -10 489.98 14.8 -8 -2 -10 457.63 17.28 -8 2 -10 506.79 16.85 8 -2 10 468.64 18.5 8 -2 10 484.46 17.64 8 -2 10 518.23 14.56 8 2 10 515.51 16.97 8 2 10 466.47 17.95 8 2 10 519.77 17.99 -8 -2 -11 21.7 5.21 -8 -2 -11 30.62 6.75 -8 2 -11 29.35 6.47 8 -2 11 30.42 6.87 8 -2 11 30.46 6.35 8 -2 11 30.14 5.21 8 2 11 28.29 5.92 8 2 11 25.84 6.23 8 2 11 29.16 6.19 -8 -2 -12 134.5 11.48 -8 2 -12 123.26 10.97 8 -2 12 125.39 11.36 8 -2 12 123.29 10.57 8 -2 12 142.9 9.47 8 2 12 131.26 10.77 8 2 12 126.02 11.4 8 2 12 136.39 11.09 -8 -2 -13 40.48 8.17 -8 2 -13 55.71 8.8 8 -2 13 50.78 8.96 8 -2 13 40.52 7.54 8 -2 13 47.46 6.67 8 2 13 58.2 8.64 8 2 13 43.16 8.09 8 2 13 53.7 8.72 -8 -2 -14 177.19 13.93 -8 2 -14 178.22 13.93 8 -2 14 168.08 14.01 8 -2 14 150.95 12.59 8 -2 14 183.46 11.4 8 2 14 170.25 13.3 8 2 14 146.18 13.3 8 2 14 165.16 13.49 8 2 14 176.87 13.41 -8 -2 -15 18.82 6.55 -8 2 -15 10.65 6.75 8 -2 15 16.85 7.06 8 -2 15 22.45 6.79 8 2 15 23.28 6.98 8 2 15 14.2 6.94 8 2 15 18.74 6.75 8 2 15 21.82 6.98 -8 4 15 7.1 6.08 -8 4 15 7.73 5.37 -8 4 15 5.6 5.09 8 -4 -15 10.61 6.9 8 -4 -15 8.25 5.09 -8 4 14 11.4 6.35 -8 4 14 9.31 5.48 -8 4 14 10.77 5.29 8 -4 -14 14.01 7.18 8 -4 -14 6.35 5.21 -8 -4 13 17.48 5.17 -8 4 13 12.82 5.84 -8 4 13 17.6 5.84 -8 4 13 12.07 5.25 8 -4 -13 15.58 6.39 8 -4 -13 12.51 5.01 -8 -4 12 53.38 7.58 -8 4 12 37.52 7.73 -8 4 12 57.13 8.84 -8 4 12 55.95 8.09 8 -4 -12 43.64 8.4 8 -4 -12 39.22 6.43 -8 -4 11 17.75 4.77 -8 4 11 17.48 5.68 -8 4 11 15.51 5.41 -8 4 11 24.03 5.6 8 -4 -11 18.31 6.55 8 -4 -11 24.74 5.13 -8 -4 10 202.32 10.61 -8 4 10 180.42 12.15 -8 4 10 196.8 12.55 -8 4 10 228.09 12.03 8 -4 -10 191.95 12.94 8 -4 -10 214.79 9.82 -8 -4 9 66.05 6.63 -8 4 9 46.56 7.34 -8 4 9 50.23 7.85 -8 4 9 69.4 7.26 8 -4 -9 72.71 9.39 8 -4 -9 71.73 6.23 -8 -4 8 25.76 4.97 -8 4 8 14.87 4.93 -8 4 8 21.7 5.44 -8 4 8 23.36 4.77 8 -4 -8 32.43 7.02 8 -4 -8 19.33 3.59 -8 -4 7 297.6 11.09 -8 4 7 246.31 12.47 -8 4 7 308.49 14.12 -8 4 7 344.16 12.15 8 -4 -7 304.07 14.32 8 4 -7 317.69 9.51 8 4 -7 354.3 11.95 -8 -4 6 324.67 11.21 -8 4 6 299.81 13.18 -8 4 6 308.45 13.77 -8 4 6 364.44 11.68 8 -4 -6 344.56 14.83 8 4 -6 335.52 9.75 8 4 -6 378.64 9.71 -8 -4 5 28.96 4.73 -8 4 5 16.97 4.62 -8 4 5 23.16 4.93 -8 4 5 29.43 4.22 8 -4 -5 29.43 6.12 8 4 -5 26.71 3.91 8 4 -5 26.55 3.27 -8 -4 4 39.57 5.09 -8 4 4 36.02 5.88 -8 4 4 34.29 5.8 -8 4 4 35.67 4.3 8 -4 -4 38.86 6.63 8 4 -4 33.89 4.38 8 4 -4 37.88 3.47 -8 -4 3 78.71 6.12 -8 4 3 86.01 7.73 -8 4 3 86.09 7.69 -8 4 3 94.22 5.33 8 -4 -3 89.05 7.93 8 4 -3 93.82 5.96 8 4 -3 92.56 6.19 8 4 -3 92.95 4.58 -8 4 2 300.37 12.78 -8 4 2 319.42 13.18 -8 4 2 330.04 8.32 8 -4 -2 295.16 13.18 8 -4 -2 301.08 12.66 8 4 -2 321.59 9.47 8 4 -2 304.07 10.53 8 4 -2 334.93 7.93 -8 -4 1 25.61 5.33 -8 4 1 19.06 4.97 -8 4 1 17.48 2.68 8 -4 -1 20.16 5.09 8 -4 -1 17.6 4.46 8 4 -1 18.7 3.35 8 4 -1 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321.12 9.51 10 4 -5 348.78 9.27 -10 -4 4 104.2 6.47 -10 4 4 84.16 8.01 -10 4 4 101.2 8.36 -10 4 4 106.65 6.27 10 -4 -4 110.12 8.84 10 4 -4 88.97 5.76 10 4 -4 106.29 5.48 -10 4 3 32.75 5.76 -10 4 3 32.71 5.64 -10 4 3 34.05 4.06 10 -4 -3 39.1 6.67 10 -4 -3 35.27 6.23 10 4 -3 40.13 4.34 10 4 -3 34.29 4.58 10 4 -3 36.34 3.95 -10 4 2 11.44 4.34 -10 4 2 13.97 2.84 10 -4 -2 13.14 4.66 10 -4 -2 15.47 4.42 10 4 -2 18.07 3.71 10 4 -2 14.68 2.84 -10 4 1 344.99 13.97 -10 4 1 350.55 9 10 -4 -1 335.72 14.24 10 -4 -1 355.13 13.38 10 4 -1 370.99 12.07 10 4 -1 399.24 10.14 -10 4 0 48.37 7.02 -10 4 0 51.69 4.38 10 -4 0 43.48 6.59 10 -4 0 52.99 6.31 10 4 0 47.66 5.6 10 4 0 49.04 4.66 -10 -4 -1 79.38 8.4 -10 4 -1 84.31 8.25 -10 4 -1 89.01 5.13 10 -4 1 90.15 8.29 10 -4 1 92.72 7.26 10 4 1 80.57 6.94 10 4 1 96.31 6.19 -10 -4 -2 32.31 6.51 -10 4 -2 43.68 4.22 10 -4 2 36.93 6.51 10 -4 2 32.79 5.13 10 4 2 36.73 5.8 10 4 2 40.84 5.05 -10 -4 -3 128.35 10.18 -10 4 -3 170.44 7.34 10 -4 3 156.75 10.69 10 -4 3 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186.54 6.35 -12 2 3 170.56 9.19 -12 2 3 173.09 7.34 12 -2 -3 160.62 8.17 12 -2 -3 153.52 8.8 12 -2 -3 170.44 6.87 12 2 -3 169.93 5.37 12 2 -3 190.53 7.38 -12 -2 2 425.28 9.47 -12 2 2 397.5 12.31 -12 2 2 400.54 10.18 12 -2 -2 395.17 11.84 12 -2 -2 388.35 12.51 12 -2 -2 431.99 9.47 12 2 -2 409.14 8.84 12 2 -2 465.52 10.93 -12 -2 1 94.77 5.48 -12 2 1 70.47 6.71 -12 2 1 86.37 5.52 12 -2 -1 89.29 6.55 12 -2 -1 58.59 6.79 12 -2 -1 91.57 4.93 12 2 -1 107.16 5.8 12 2 -1 96.07 5.84 -12 -2 0 69.76 4.89 -12 2 0 54.05 6.67 -12 2 0 74.06 5.25 12 -2 0 67.31 5.92 12 -2 0 64.23 4.97 12 -2 0 75.4 4.3 12 2 0 71.69 5.68 12 2 0 87.47 5.8 -12 -2 -1 1006.05 16.1 -12 2 -1 1055.25 16.29 12 -2 1 976.5 18.98 12 -2 1 983.87 15.47 12 -2 1 1065.35 13.93 12 2 1 992.71 17.32 12 2 1 1119.08 18.23 -12 -2 -2 686.11 14.2 -12 2 -2 725.92 14.16 12 -2 2 675.42 16.41 12 -2 2 671.2 12.23 12 -2 2 691.12 11.76 12 2 2 664.53 15.19 12 2 2 771.69 15.94 -12 -2 -3 67.98 5.88 -12 2 -3 78.87 5.8 12 -2 3 68.18 6.35 12 -2 3 68.73 4.14 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8.17 12 4 -5 78.75 5.25 12 4 -5 98.4 6.08 -12 4 4 119.51 9.39 -12 4 4 126.25 9.39 -12 4 4 137.14 7.3 12 -4 -4 128.35 9.59 12 4 -4 126.96 6.51 12 4 -4 146.53 6.9 -12 4 3 88.1 8.52 -12 4 3 102.74 6.19 12 -4 -3 88.85 8.92 12 -4 -3 89.01 8.13 12 4 -3 94.02 6.08 12 4 -3 104.28 6.12 -12 4 2 52.24 7.3 -12 4 2 66.88 5.25 12 -4 -2 62.81 8.05 12 -4 -2 61.35 6.9 12 4 -2 65.22 5.6 12 4 -2 65.38 5.25 -12 4 1 804.71 21.42 -12 4 1 841.17 14.76 12 -4 -1 756.89 21.15 12 -4 -1 818.32 20 12 4 -1 799.15 17.56 12 4 -1 881.57 16.18 -12 4 0 644.41 19.53 -12 4 0 643.26 12.94 12 -4 0 586.84 18.82 12 -4 0 631.19 17.36 12 4 0 625.94 16.33 12 4 0 685.28 14.95 -12 4 -1 104.28 9.39 -12 4 -1 105.19 6.19 12 -4 1 108.1 9.47 12 -4 1 91.02 7.34 12 4 1 99.19 7.61 12 4 1 112.8 7.1 -12 4 -2 42.33 6.79 -12 4 -2 47.35 4.97 12 -4 2 41.66 6.98 12 -4 2 55.08 5.96 12 4 2 54.45 6.59 12 4 2 58.23 6.04 -12 4 -3 82.1 6.27 12 -4 3 69.44 8.52 12 -4 3 82.34 6.71 12 4 3 78.55 7.54 12 4 3 86.37 7.14 -12 -4 -4 68.77 9.47 -12 -4 -4 58.91 5.76 -12 4 -4 80.53 7.77 12 -4 4 64.43 9 12 -4 4 64.39 5.96 12 4 4 64.82 8.36 12 4 4 78.51 7.38 -12 -4 -5 179.64 12.23 -12 -4 -5 194.67 8.68 12 -4 5 178.73 12.15 12 4 5 178.65 11.64 12 4 5 207.89 11.05 -12 -4 -6 174.66 12.43 -12 -4 -6 178.06 9.23 12 -4 6 189.42 12.94 12 4 6 175.65 11.92 12 4 6 183.11 11.05 -12 -4 -7 45.81 8.25 -12 -4 -7 56.85 6.87 12 -4 7 56.14 8.84 12 4 7 50.26 8.21 12 4 7 66.99 8.72 -12 -4 -8 11.56 6.04 -12 -4 -8 11.32 4.42 12 -4 8 7.89 4.85 12 4 8 6.47 5.01 12 4 8 9.35 4.54 -12 -4 -9 11.8 6.51 -12 -4 -9 16.26 5.13 12 -4 9 16.89 6.35 12 4 9 11.64 5.41 12 4 9 20.83 6 -12 -4 -10 15.43 7.02 -12 -4 -10 11.6 5.56 12 -4 10 4.18 5.56 12 4 10 13.65 6.12 12 4 10 12.66 5.29 -12 -4 -11 74.49 11.05 -12 -4 -11 87.27 9.94 12 -4 11 61.08 9.94 12 4 11 96.27 11.88 12 4 11 79.5 10.81 12 -4 12 33.97 8.4 12 4 12 31.64 8.21 -12 6 10 22.29 7.73 -12 6 10 16.77 6.94 12 -6 -10 29.16 8.72 -12 6 9 26.79 7.65 -12 6 9 21.34 7.22 12 -6 -9 21.78 8.17 -12 6 8 36.06 8.56 -12 6 8 48.06 9.39 12 -6 -8 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76.7 6.71 22 2 -4 67.94 4.89 22 2 -4 64.94 6.98 -22 -2 3 36.34 5.44 -22 2 3 30.5 5.29 -22 2 3 33.97 5.44 22 -2 -3 43.04 6.27 22 -2 -3 30.06 5.56 22 -2 -3 35.35 5.09 22 2 -3 37.28 4.34 22 2 -3 30.1 5.25 -22 -2 2 19.25 4.46 -22 2 2 19.69 5.05 -22 2 2 20.36 4.58 22 -2 -2 21.98 4.7 22 -2 -2 21.86 4.73 22 -2 -2 24.38 4.73 22 2 -2 20.63 2.49 22 2 -2 18.9 3.63 22 2 -2 22.21 5.05 -22 -2 1 153.44 9.15 -22 2 1 141.01 9.75 -22 2 1 138.76 9.11 22 -2 -1 144.84 9.31 22 -2 -1 126.41 8.05 22 -2 -1 148.94 8.44 22 2 -1 145.9 5.76 22 2 -1 153.6 8.29 22 2 -1 153.83 9.78 -22 -2 0 163.42 9.59 -22 2 0 146.77 10.02 -22 2 0 144.48 9.47 22 -2 0 128.38 9.11 22 -2 0 124.32 7.97 22 -2 0 154.58 8.68 22 2 0 152.49 6.67 22 2 0 164.56 9.11 22 2 0 158.76 10.14 -22 -2 -1 191.16 10.65 -22 2 -1 174.19 10.89 -22 2 -1 182.24 10.61 22 -2 1 165.16 10.34 22 -2 1 145.94 8.4 22 -2 1 192.42 9.59 22 2 1 183.03 7.97 22 2 1 183.62 10.18 22 2 1 203.35 11.48 -22 -2 -2 48.88 6.79 -22 2 -2 62.38 7.5 22 -2 2 46.08 6.75 22 -2 2 48.88 5.33 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