#------------------------------------------------------------------------------ #$Date: 2024-10-06 03:20:07 +0300 (Sun, 06 Oct 2024) $ #$Revision: 295078 $ #$URL: file:///home/coder/svn-repositories/cod/cif/7/24/94/7249434.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_7249434 loop_ _publ_author_name 'Valdivieso, Jorge P.' 'Erickson, Alexander N.' 'Gardinier, James R.' _publ_section_title ; Group 7 carbonyl complexes of a PNN-heteroscorpionate ligand ; _journal_issue 43 _journal_name_full 'RSC Advances' _journal_page_first 31502 _journal_page_last 31516 _journal_paper_doi 10.1039/D4RA05287K _journal_volume 14 _journal_year 2024 _chemical_formula_moiety 'C28 H25 F3 Mn0.5 N4 O4 P S' _chemical_formula_sum 'C28 H25 F3 Mn0.5 N4 O4 P S' _chemical_formula_weight 629.02 _space_group_crystal_system triclinic _space_group_IT_number 2 _space_group_name_Hall '-P 1' _space_group_name_H-M_alt 'P -1' _atom_sites_solution_hydrogens geom _atom_sites_solution_primary direct _audit_creation_date 2024-03-20 _audit_creation_method ; Olex2 1.5 (compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928) ; _audit_update_record ; 2024-07-17 deposited with the CCDC. 2024-09-24 downloaded from the CCDC. ; _cell_angle_alpha 64.443(3) _cell_angle_beta 85.597(3) _cell_angle_gamma 88.991(3) _cell_formula_units_Z 2 _cell_length_a 9.3815(3) _cell_length_b 12.9857(4) _cell_length_c 13.0750(5) _cell_measurement_reflns_used 11411 _cell_measurement_temperature 99.9(3) _cell_measurement_theta_max 70.5590 _cell_measurement_theta_min 3.9770 _cell_volume 1432.56(9) _computing_cell_refinement 'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)' _computing_data_collection 'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)' _computing_data_reduction 'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)' _computing_molecular_graphics 'Olex2 1.5 (Dolomanov et al., 2009)' _computing_publication_material 'Olex2 1.5 (Dolomanov et al., 2009)' _computing_structure_refinement 'SHELXL 2018/1 (Sheldrick, 2015)' _computing_structure_solution 'SHELXS (Sheldrick, 2008)' _diffrn_ambient_environment N~2~ _diffrn_ambient_temperature 99.9(3) _diffrn_detector 'CCD plate' _diffrn_detector_area_resol_mean 10.3756 _diffrn_detector_type Atlas _diffrn_measured_fraction_theta_full 0.991 _diffrn_measured_fraction_theta_max 0.991 _diffrn_measurement_details ; List of Runs (angles in degrees, time in seconds): # Type Start End Width t~exp~ \w \q \k \f Frames #-------------------------------------------------------------------------- 1 \w -115.00 -67.00 1.00 1.98 -- -42.46-134.00 106.00 48 2 \w -67.00 32.00 1.00 1.98 -- -42.46 37.00 120.00 99 3 \w -117.00 -18.00 1.00 1.98 -- -42.46 -37.00 -60.00 99 4 \w 18.00 117.00 1.00 1.98 -- 42.46 37.00-180.00 99 5 \w 29.00 104.00 1.00 1.98 -- 42.46-135.00 -73.00 75 6 \w 94.00 173.00 1.00 7.91 -- 100.00 125.00 -90.00 79 7 \w 17.00 110.00 1.00 7.91 -- 100.00 -94.00 120.00 93 8 \w 27.00 118.00 1.00 7.91 -- 100.00-125.00 90.00 91 9 \w 17.00 110.00 1.00 7.91 -- 100.00 -94.00 -60.00 93 10 \w 74.00 173.00 1.00 7.91 -- 100.00 45.00 90.00 99 11 \w 71.00 172.00 1.00 7.91 -- 100.00 61.00 30.00 101 12 \w 28.00 129.00 1.00 7.91 -- 100.00 -61.00 -30.00 101 13 \w 27.00 118.00 1.00 7.91 -- 100.00-125.00-120.00 91 14 \w 71.00 172.00 1.00 7.91 -- 100.00 61.00 0.00 101 15 \w 24.00 133.00 1.00 7.91 -- 100.00 -77.00-180.00 109 16 \w 71.00 172.00 1.00 7.91 -- 100.00 61.00 -30.00 101 17 \w 67.00 176.00 1.00 7.91 -- 100.00 77.00-120.00 109 18 \w -119.00 -10.00 1.00 1.98 -- -42.46 -77.00-150.00 109 19 \w -115.00 -14.00 1.00 1.98 -- -42.46 -57.00 60.00 101 20 \w -119.00 -10.00 1.00 1.98 -- -42.46 -77.00 30.00 109 21 \w -119.00 -10.00 1.00 1.98 -- -42.46 -77.00 -60.00 109 22 \w 23.00 98.00 1.00 1.98 -- 42.46-125.00 30.00 75 23 \w 71.00 172.00 1.00 7.91 -- 100.00 61.00 120.00 101 24 \w 67.00 169.00 1.00 7.91 -- 100.00 77.00 30.00 102 25 \w 72.00 176.00 1.00 7.91 -- 100.00 30.00-180.00 104 26 \w 71.00 172.00 1.00 7.91 -- 100.00 61.00 90.00 101 27 \w 71.00 172.00 1.00 7.91 -- 100.00 61.00-180.00 101 28 \w 67.00 176.00 1.00 7.91 -- 100.00 77.00 -90.00 109 29 \w 71.00 172.00 1.00 7.91 -- 100.00 61.00-150.00 101 ; _diffrn_measurement_device 'four-circle diffractometer' _diffrn_measurement_device_type 'SuperNova, Dual, Cu at home/near, Atlas' _diffrn_measurement_method '\w scans' _diffrn_orient_matrix_type 'CrysAlisPro convention (1999,Acta A55,543-557)' _diffrn_orient_matrix_UB_11 -0.0312100000 _diffrn_orient_matrix_UB_12 0.1143865000 _diffrn_orient_matrix_UB_13 -0.1002182000 _diffrn_orient_matrix_UB_21 -0.0560803000 _diffrn_orient_matrix_UB_22 0.0479741000 _diffrn_orient_matrix_UB_23 0.0843475000 _diffrn_orient_matrix_UB_31 0.1517067000 _diffrn_orient_matrix_UB_32 0.0437272000 _diffrn_orient_matrix_UB_33 -0.0003430000 _diffrn_radiation_monochromator mirror _diffrn_radiation_probe x-ray _diffrn_radiation_type 'Cu K\a' _diffrn_radiation_wavelength 1.54184 _diffrn_reflns_av_R_equivalents 0.0371 _diffrn_reflns_av_unetI/netI 0.0252 _diffrn_reflns_Laue_measured_fraction_full 0.991 _diffrn_reflns_Laue_measured_fraction_max 0.991 _diffrn_reflns_limit_h_max 11 _diffrn_reflns_limit_h_min -11 _diffrn_reflns_limit_k_max 15 _diffrn_reflns_limit_k_min -15 _diffrn_reflns_limit_l_max 15 _diffrn_reflns_limit_l_min -15 _diffrn_reflns_number 26350 _diffrn_reflns_point_group_measured_fraction_full 0.991 _diffrn_reflns_point_group_measured_fraction_max 0.991 _diffrn_reflns_theta_full 70.537 _diffrn_reflns_theta_max 70.537 _diffrn_reflns_theta_min 3.758 _diffrn_source 'micro-focus sealed X-ray tube' _diffrn_source_type 'SuperNova (Cu) X-ray Source' _exptl_absorpt_coefficient_mu 3.781 _exptl_absorpt_correction_T_max 0.881 _exptl_absorpt_correction_T_min 0.566 _exptl_absorpt_correction_type gaussian _exptl_absorpt_process_details ; CrysAlisPro 1.171.39.46 (Rigaku Oxford Diffraction, 2018) Numerical absorption correction based on gaussian integration over a multifaceted crystal model Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm. ; _exptl_crystal_colour colourless _exptl_crystal_colour_primary colourless _exptl_crystal_density_diffrn 1.458 _exptl_crystal_density_method 'not measured' _exptl_crystal_description block _exptl_crystal_F_000 647 _exptl_crystal_size_max 0.148 _exptl_crystal_size_mid 0.095 _exptl_crystal_size_min 0.06 _refine_diff_density_max 0.369 _refine_diff_density_min -0.349 _refine_diff_density_rms 0.048 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.042 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 378 _refine_ls_number_reflns 5431 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 1.042 _refine_ls_R_factor_all 0.0340 _refine_ls_R_factor_gt 0.0307 _refine_ls_shift/su_max 0.001 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0438P)^2^+0.5294P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0785 _refine_ls_wR_factor_ref 0.0815 _reflns_Friedel_coverage 0.000 _reflns_number_gt 5009 _reflns_number_total 5431 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file d4ra05287k3.cif _cod_data_source_block 4_CH3CN_H2O_gard25q _cod_original_cell_volume 1432.55(9) _cod_original_formula_sum 'C28 H25 F3 Mn0.50 N4 O4 P S' _cod_database_code 7249434 _shelx_shelxl_version_number 2018/1 _chemical_oxdiff_formula C28H25N4F3O3PMnS _shelx_space_group_comment ; The symmetry employed for this shelxl refinement is uniquely defined by the following loop, which should always be used as a source of symmetry information in preference to the above space-group names. They are only intended as comments. ; _shelx_estimated_absorpt_t_max 0.805 _shelx_estimated_absorpt_t_min 0.605 _olex2_refinement_description ; 1. Fixed Uiso At 1.2 times of: All C(H) groups At 1.5 times of: All C(H,H,H) groups 2.a Ternary CH refined with riding coordinates: C7(H7) 2.b Aromatic/amide H refined with riding coordinates: C3(H3), C4(H4), C5(H5), C6(H6), C11(H11), C12(H12), C13(H13), C21(H21), C22(H22), C23(H23), C32(H32), C33(H33), C35(H35), C36(H36), C42(H42), C43(H43), C45(H45), C46(H46) 2.c Idealised Me refined as rotating group: C37(H37A,H37B,H37C), C47(H47A,H47B,H47C) ; _shelx_res_file ; TITL GARD25Q in P-1 #2 gard25q.res created by SHELXL-2018/1 at 16:03:07 on 20-Mar-2024 REM reset to P-1 #2 CELL 1.54184 9.381458 12.985726 13.074986 64.4428 85.5974 88.9905 ZERR 2 0.000294 0.000427 0.000461 0.0033 0.0027 0.0026 LATT 1 SFAC C H F Mn N O P S UNIT 56 50 6 1 8 8 2 2 L.S. 8 PLAN 5 SIZE 0.06 0.095 0.148 TEMP 100 CONF BOND MORE -1 BOND $H fmap 2 acta 144 REM REM REM WGHT 0.043800 0.529400 FVAR 6.51084 MN1 4 0.500000 0.500000 0.500000 10.50000 0.01435 0.01709 = 0.01688 -0.00861 -0.00114 -0.00063 S2 8 0.633116 0.240503 0.625675 11.00000 0.01661 0.01975 = 0.02361 -0.01006 -0.00314 0.00040 P1 7 0.447018 0.537499 0.746400 11.00000 0.01394 0.01971 = 0.01787 -0.00951 -0.00127 0.00022 F1 3 0.537227 0.142325 0.841044 11.00000 0.05840 0.04699 = 0.02885 -0.00144 0.00715 0.01406 F2 3 0.761908 0.182540 0.813590 11.00000 0.06275 0.04863 = 0.04463 -0.01808 -0.03137 0.00469 F3 3 0.681213 0.041146 0.789883 11.00000 0.06291 0.02422 = 0.04479 -0.01042 -0.01689 0.01549 O1 6 0.423850 0.547569 0.629926 11.00000 0.01558 0.02139 = 0.01835 -0.01046 -0.00172 -0.00044 O2 6 0.594733 0.347926 0.629818 11.00000 0.02961 0.02020 = 0.02251 -0.00902 -0.00593 0.00425 O3 6 0.518948 0.187684 0.597511 11.00000 0.02233 0.02494 = 0.03784 -0.01442 -0.00860 -0.00160 O4 6 0.770926 0.240115 0.570824 11.00000 0.01832 0.03789 = 0.03983 -0.02005 0.00012 0.00152 N11 5 0.777423 0.671982 0.494954 11.00000 0.01574 0.01907 = 0.02317 -0.01139 -0.00015 -0.00204 N12 5 0.725928 0.588001 0.470621 11.00000 0.01673 0.02051 = 0.02421 -0.01282 -0.00219 -0.00167 N21 5 0.739599 0.795221 0.588609 11.00000 0.01665 0.01986 = 0.02710 -0.01298 -0.00274 0.00024 N22 5 0.866877 0.817563 0.618790 11.00000 0.01916 0.03026 = 0.05544 -0.02551 -0.00968 -0.00035 C1 1 0.632051 0.511729 0.777253 11.00000 0.01710 0.02195 = 0.02046 -0.01268 -0.00388 0.00258 C2 1 0.740094 0.584122 0.701928 11.00000 0.01806 0.02152 = 0.02257 -0.01398 -0.00362 0.00147 C3 1 0.882589 0.558607 0.725395 11.00000 0.01641 0.02563 = 0.02786 -0.01509 -0.00243 0.00086 AFIX 43 H3 2 0.955248 0.605723 0.675694 11.00000 -1.20000 AFIX 0 C4 1 0.916891 0.463596 0.822188 11.00000 0.01962 0.03138 = 0.03169 -0.01770 -0.00912 0.00753 AFIX 43 H4 2 1.012191 0.447713 0.836978 11.00000 -1.20000 AFIX 0 C5 1 0.810143 0.392524 0.896649 11.00000 0.02804 0.02638 = 0.02553 -0.01147 -0.01011 0.00847 AFIX 43 H5 2 0.833417 0.329193 0.961612 11.00000 -1.20000 AFIX 0 C6 1 0.668344 0.416058 0.874069 11.00000 0.02439 0.02457 = 0.02179 -0.01110 -0.00392 0.00155 AFIX 43 H6 2 0.596569 0.367778 0.923766 11.00000 -1.20000 AFIX 0 C7 1 0.705549 0.685468 0.591929 11.00000 0.01432 0.01910 = 0.02265 -0.01093 -0.00143 -0.00154 AFIX 13 H7 2 0.602326 0.682949 0.585832 11.00000 -1.20000 AFIX 0 C11 1 0.912223 0.704353 0.448030 11.00000 0.01611 0.02606 = 0.02882 -0.01331 0.00085 -0.00479 AFIX 43 H11 2 0.968967 0.758533 0.455195 11.00000 -1.20000 AFIX 0 C12 1 0.949542 0.642621 0.388114 11.00000 0.01569 0.03990 = 0.03338 -0.02161 0.00399 -0.00484 AFIX 43 H12 2 1.035064 0.646967 0.345360 11.00000 -1.20000 AFIX 0 C13 1 0.831448 0.571653 0.405025 11.00000 0.01791 0.03361 = 0.03312 -0.02256 -0.00029 -0.00094 AFIX 43 H13 2 0.826870 0.519303 0.374287 11.00000 -1.20000 AFIX 0 C14 1 0.654587 0.147183 0.775677 11.00000 0.03460 0.02539 = 0.03152 -0.01160 -0.00870 0.00741 C21 1 0.651222 0.885406 0.558922 11.00000 0.02479 0.02403 = 0.03165 -0.01457 -0.00786 0.00495 AFIX 43 H21 2 0.559390 0.888694 0.535592 11.00000 -1.20000 AFIX 0 C22 1 0.722111 0.970378 0.569654 11.00000 0.03432 0.02161 = 0.03338 -0.01522 -0.00611 0.00266 AFIX 43 H22 2 0.689532 1.042908 0.555880 11.00000 -1.20000 AFIX 0 C23 1 0.854386 0.924379 0.605887 11.00000 0.02588 0.02712 = 0.04255 -0.02122 -0.00457 -0.00456 AFIX 43 H23 2 0.926226 0.964245 0.619564 11.00000 -1.20000 AFIX 0 C31 1 0.398863 0.666697 0.757446 11.00000 0.01680 0.02180 = 0.01931 -0.00907 0.00137 -0.00001 C32 1 0.282971 0.726905 0.700620 11.00000 0.01956 0.03022 = 0.02867 -0.01403 -0.00306 0.00272 AFIX 43 H32 2 0.232611 0.699923 0.658326 11.00000 -1.20000 AFIX 0 C33 1 0.242892 0.827259 0.707309 11.00000 0.02327 0.02714 = 0.03710 -0.01058 0.00208 0.00568 AFIX 43 H33 2 0.164943 0.866721 0.669565 11.00000 -1.20000 AFIX 0 C34 1 0.316744 0.870216 0.769258 11.00000 0.02674 0.02127 = 0.03483 -0.01151 0.01424 -0.00390 C35 1 0.432014 0.809235 0.825818 11.00000 0.03145 0.02905 = 0.03163 -0.01938 0.00658 -0.00872 AFIX 43 H35 2 0.482285 0.836351 0.868050 11.00000 -1.20000 AFIX 0 C36 1 0.473334 0.708438 0.820275 11.00000 0.02265 0.02639 = 0.02409 -0.01324 -0.00117 -0.00081 AFIX 43 H36 2 0.550826 0.668722 0.858550 11.00000 -1.20000 AFIX 0 C37 1 0.276030 0.982283 0.771393 11.00000 0.03793 0.02565 = 0.06326 -0.02172 0.01877 -0.00470 AFIX 137 H37A 2 0.281006 0.976004 0.846925 11.00000 -1.50000 H37B 2 0.180355 1.000701 0.748901 11.00000 -1.50000 H37C 2 0.340835 1.041420 0.719712 11.00000 -1.50000 AFIX 0 C41 1 0.339503 0.423341 0.853413 11.00000 0.01483 0.02474 = 0.01905 -0.00700 -0.00125 0.00060 C42 1 0.319113 0.324796 0.838594 11.00000 0.02430 0.02577 = 0.02789 -0.01098 0.00542 -0.00027 AFIX 43 H42 2 0.364045 0.317949 0.775954 11.00000 -1.20000 AFIX 0 C43 1 0.231894 0.237012 0.917187 11.00000 0.03048 0.02356 = 0.03746 -0.00915 0.00458 -0.00156 AFIX 43 H43 2 0.218612 0.171634 0.906476 11.00000 -1.20000 AFIX 0 C44 1 0.163541 0.244843 1.012191 11.00000 0.02017 0.02992 = 0.02599 -0.00116 0.00016 0.00197 C45 1 0.185928 0.342701 1.027094 11.00000 0.02031 0.04330 = 0.01920 -0.01108 0.00069 -0.00113 AFIX 43 H45 2 0.142383 0.348717 1.090585 11.00000 -1.20000 AFIX 0 C46 1 0.272301 0.431733 0.948711 11.00000 0.02121 0.03510 = 0.02114 -0.01447 -0.00223 -0.00190 AFIX 43 H46 2 0.285496 0.497034 0.959575 11.00000 -1.20000 AFIX 0 C47 1 0.065215 0.150241 1.094506 11.00000 0.03349 0.03647 = 0.03791 0.00057 0.00954 -0.00327 AFIX 137 H47A 2 0.120910 0.087384 1.141911 11.00000 -1.50000 H47B 2 0.004892 0.125415 1.053087 11.00000 -1.50000 H47C 2 0.007126 0.177580 1.141026 11.00000 -1.50000 AFIX 0 HKLF 4 REM GARD25Q in P-1 #2 REM R1 = 0.0307 for 5009 Fo > 4sig(Fo) and 0.0340 for all 5431 data REM 378 parameters refined using 0 restraints END WGHT 0.0438 0.5295 REM Highest difference peak 0.369, deepest hole -0.349, 1-sigma level 0.048 Q1 1 0.3881 0.4727 0.8061 11.00000 0.05 0.37 Q2 1 0.5492 0.5202 0.7664 11.00000 0.05 0.34 Q3 1 0.4187 0.6036 0.7642 11.00000 0.05 0.32 Q4 1 0.0834 0.0740 1.0811 11.00000 0.05 0.28 Q5 1 0.2950 0.4321 0.8865 11.00000 0.05 0.24 ; _shelx_res_checksum 10694 _shelx_hkl_file ; 0 0 -1 376018. 2801.12 4 0 0 -1 378766. 2908.11 18 0 0 1 382551. 2726.22 20 0 0 1 373473. 2623.68 21 0 0 -2 40195.4 1323.49 18 0 0 2 38920.3 1232.83 20 0 0 2 37482.3 1350.52 3 0 0 2 37080.4 1174.02 21 0 0 -2 38083.4 1277.36 4 0 0 3 136111. 2838.67 20 0 0 -3 137323. 2986.96 18 0 0 3 131351. 3073.97 3 0 0 3 137554. 2742.31 21 0 0 -3 133378. 2951.23 4 0 0 4 27434.4 1509.78 20 0 0 -4 30079.0 1632.72 18 0 0 4 28904.3 1489.51 21 0 0 -4 30920.8 1659.83 4 0 0 4 30929.0 1768.88 3 0 0 -5 226784. 5142.61 4 0 0 5 219114. 4641.21 21 0 0 -5 227530. 5011.44 18 0 0 5 229955. 4932.19 20 0 0 5 228875. 5447.26 3 0 0 6 18413.9 1604.54 20 0 0 -6 18293.0 1583.89 18 0 0 -6 18127.0 1650.47 4 0 0 6 18791.9 1555.40 21 0 0 6 17799.3 1750.90 3 0 0 7 5901.30 1094.24 3 0 0 -7 6919.76 1126.41 4 0 0 7 5772.62 975.001 21 0 0 8 65453.9 3372.39 21 0 0 -8 63895.5 1901.84 10 0 0 -8 63266.4 1910.39 26 0 0 8 61308.1 1817.47 16 0 0 -8 66106.5 2072.87 23 0 0 8 60542.7 3906.70 3 0 0 8 65827.8 1866.46 28 0 0 -8 59254.8 3676.34 4 0 0 -9 66310.6 2089.29 10 0 0 9 67868.3 4465.31 3 0 0 -9 66592.1 2265.60 23 0 0 -9 63012.7 4135.68 4 0 0 9 66405.8 2022.45 16 0 0 9 65706.8 2001.80 28 0 0 -9 65526.7 2091.40 26 0 0 -10 4829.56 662.275 25 0 0 -10 5109.38 629.536 26 0 0 -10 4862.58 703.714 23 0 0 10 4283.35 572.669 28 0 0 10 4570.14 587.620 16 0 0 -10 6009.92 1408.73 4 0 0 10 4932.13 1289.22 3 0 0 -10 4862.83 611.799 10 0 0 -11 341.711 305.344 25 0 0 11-161.388 293.744 16 0 0 11 188.270 284.857 28 0 0 -11-3.29588 257.449 26 0 0 -11 36.1375 241.294 10 0 0 -11 94.8039 366.457 23 0 0 -12 1982.39 401.854 26 0 0 -12 2322.29 474.974 25 0 0 12 2258.89 414.897 28 0 0 12 1818.99 375.350 16 0 0 -12 2207.96 526.284 23 0 0 -12 1987.06 444.970 10 0 0 -13 1334.36 345.647 25 0 0 13 977.427 240.576 16 0 0 13 1619.91 327.979 28 0 0 -13 1625.00 293.209 26 0 0 -13 1342.69 362.028 23 0 0 -13 1272.06 297.587 10 0 0 13 1293.11 343.614 6 0 0 -14 218.118 191.542 23 0 0 14-183.065 165.191 6 0 1 -13 18595.5 934.897 25 0 -1 13 18064.0 820.965 16 0 -1 13 21290.8 979.986 6 0 1 -13 19487.3 1074.61 23 0 -1 12 673.378 304.269 16 0 1 -12 247.475 247.161 10 0 1 -12 173.773 361.834 23 0 1 -12 604.642 322.226 25 0 -1 12 170.475 207.676 28 0 1 -12 312.636 203.042 26 0 -1 11 507.028 253.826 28 0 1 -11-94.1020 233.692 26 0 1 -11-309.809 295.711 10 0 -1 11 233.663 317.734 16 0 1 -11 58.8501 281.373 25 0 1 -11-9.63818 355.276 23 0 1 -10 24426.4 1333.21 10 0 -1 10 25838.8 1351.70 16 0 -1 10 25329.6 1268.04 28 0 1 -10 25375.9 1345.72 26 0 1 -10 23021.6 1428.10 23 0 1 -10 23635.3 1384.58 25 0 1 -9 10617.6 952.260 23 0 1 -9 11265.0 921.825 25 0 1 -9 11876.2 1871.89 4 0 1 -9 11436.1 880.764 26 0 -1 9 10470.9 868.843 16 0 -1 9 10097.7 1820.32 3 0 1 -9 11538.5 905.202 10 0 -1 9 10556.3 824.300 28 0 -1 8 34716.1 3060.18 3 0 1 -8 35606.5 1585.55 23 0 1 -8 37908.5 3054.60 4 0 1 -8 38552.5 1581.54 25 0 -1 8 36917.3 1498.67 16 0 1 -8 36469.9 1489.63 10 0 1 -8 35833.0 1474.19 26 0 1 -7 7681.11 670.096 23 0 -1 7 6973.01 608.629 16 0 -1 7 5082.59 859.607 21 0 -1 7 5293.50 1157.74 3 0 1 -7 6515.94 1218.21 4 0 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71038.3 3226.74 19 0 -3 -8 1215.06 590.086 4 0 -3 -8 703.735 436.892 19 0 3 8 1610.57 763.807 3 0 3 8 249.399 396.173 21 0 -3 -9 7502.38 700.413 26 0 3 9 5677.45 541.174 17 0 -3 -9 7681.21 699.729 10 0 3 9 5917.09 1325.92 3 0 -3 -9 7575.39 1383.73 4 0 -3 -9 8287.26 770.801 23 0 -3 -9 6392.03 1150.34 19 0 3 9 8165.04 728.233 28 0 3 9 7095.25 1260.12 21 0 3 10 3786.46 537.202 28 0 3 10 2224.12 1004.22 3 0 -3 -10 3157.63 519.980 10 0 -3 -10 3498.55 551.482 23 0 3 10 2385.24 696.582 21 0 -3 -10 3465.18 544.476 26 0 3 10 3259.35 449.508 17 0 -3 -10 2859.15 856.427 4 0 3 11 5759.33 603.847 17 0 -3 -11 5811.55 687.243 10 0 -3 -11 4960.47 1353.07 4 0 3 11 4320.86 1262.99 2 0 -3 -11 5648.87 697.981 26 0 -3 -11 4842.78 694.717 23 0 3 11 2197.75 1035.13 3 0 3 11 6473.81 732.454 28 0 -3 -12 32519.7 1596.53 26 0 3 12 33764.8 1612.66 28 0 -3 -12 31741.8 1551.07 10 0 -3 -12 31619.3 1671.27 23 0 -3 -13 9246.76 848.755 25 0 3 13 9119.84 843.836 28 0 -3 -13 7238.01 803.586 23 0 -3 -13 8848.61 822.120 26 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26 0 4 12 15869.3 1029.89 6 0 -4 -12 14268.0 1138.01 23 0 -4 -13 11412.2 919.100 10 0 4 13 10812.3 835.683 6 0 -4 -13 10749.8 967.392 23 0 -4 -13 10698.3 924.130 26 0 4 13 9627.38 697.760 17 0 4 13 12321.8 1000.34 28 0 -4 -14 11732.4 868.443 25 0 4 14 13147.9 912.381 28 0 -4 -14 13054.3 964.110 23 0 -4 -14 13474.2 898.327 10 0 4 14 13020.1 817.617 6 0 -4 -14 11518.9 856.483 26 0 -4 -15 2771.03 403.092 23 0 -4 -15 2258.24 326.541 25 0 -4 -15 2235.81 303.997 26 0 4 15 2786.94 324.495 6 0 -4 -15 3019.08 367.970 10 0 4 15 2908.30 385.633 28 0 5 -11-9.26762 194.625 23 0 -5 11 142.574 158.965 16 0 5 -10 561.529 289.406 25 0 5 -10-56.5958 287.038 23 0 -5 10 111.824 266.091 16 0 -5 10 477.459 222.541 6 0 -5 9 4783.05 558.694 14 0 5 -9 5413.25 710.921 23 0 5 -9 5315.64 656.551 25 0 -5 9 5441.26 692.702 16 0 -5 8 466.220 316.861 14 0 5 -8 77.6924 334.521 23 0 5 -8-183.676 295.154 25 0 -5 8 194.798 377.115 16 0 5 -7 1055.18 778.198 4 0 -5 7 2082.22 501.633 16 0 5 -7 1431.56 453.863 23 0 -5 7 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44021.2 3179.44 2 0 -5 -8 37269.4 2834.19 4 0 -5 -8 39503.7 1552.74 26 0 -5 -8 40436.5 2901.40 19 0 5 8 37464.7 2871.62 21 0 -5 -8 41647.1 1529.61 10 0 5 8 40537.2 1451.89 17 0 5 8 41607.7 1462.94 12 0 5 9 4440.58 532.354 28 0 5 9 2644.22 871.951 3 0 -5 -9 4839.86 993.290 4 0 5 9 5882.24 600.833 17 0 5 9 3361.26 409.162 29 0 5 9 4662.85 539.270 12 0 -5 -9 4337.70 563.525 26 0 -5 -9 5144.24 584.919 10 0 -5 -9 5079.54 1178.28 19 0 -5 -9 5100.36 604.964 23 0 5 9 5337.06 1297.43 2 0 5 9 4975.96 1147.74 21 0 -5 -10 16133.9 1083.91 10 0 5 10 14397.5 2027.92 21 0 5 10 14924.7 2212.07 3 0 -5 -10 14802.2 2073.28 4 0 5 10 16417.4 1046.58 12 0 -5 -10 16153.3 1118.21 26 0 5 10 15527.5 2170.53 2 0 5 10 15511.5 1030.59 28 0 -5 -10 18394.4 2081.58 19 0 -5 -10 15691.4 1099.78 23 0 5 10 15651.8 929.285 29 0 5 10 14703.2 981.558 17 0 5 11 18858.5 1127.63 17 0 5 11 20310.6 2710.51 2 0 5 11 17783.0 1162.86 28 0 -5 -11 18273.5 2409.44 4 0 -5 -11 19068.3 1212.30 10 0 5 11 15385.0 2133.14 21 0 5 11 19102.3 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3399.27 19 0 6 6 64007.1 3465.60 2 0 -6 -7 220585. 6822.69 19 0 6 7 234841. 6969.47 2 0 -6 -7 235864. 6154.08 20 0 6 7 225706. 6988.78 21 0 6 8 992.284 263.903 28 0 6 8 861.828 259.758 17 0 6 8 725.032 186.123 29 0 6 8 621.565 572.257 2 0 -6 -8 1289.98 310.430 10 0 6 8 1440.31 292.866 12 0 -6 -8 828.126 257.695 26 0 -6 -8 895.061 585.252 19 0 6 8 2057.92 796.139 21 0 -6 -9 2037.02 971.735 19 0 6 9 1100.13 338.301 17 0 6 9-480.466 518.694 21 0 -6 -9 857.672 294.237 26 0 -6 -9 529.654 216.808 10 0 -6 -9 887.530 862.502 4 0 6 9 880.883 259.765 12 0 6 9 1018.11 256.866 29 0 6 9 2358.54 1018.27 2 0 6 9 783.017 291.370 28 0 -6 -10 1274.86 611.711 19 0 -6 -10 437.948 268.655 23 0 6 10 155.520 584.602 2 0 6 10 394.010 262.329 28 0 -6 -10 624.655 279.782 10 0 6 10 353.797 185.596 29 0 6 10 655.696 320.260 17 0 -6 -10 836.049 416.828 4 0 -6 -10 773.923 362.181 26 0 6 10 869.840 428.097 21 0 6 10 521.422 268.639 12 0 6 11 7786.21 781.799 28 0 6 11 7261.63 1537.38 2 0 -6 -11 8338.36 1607.49 4 0 -6 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4985.38 549.499 11 -1 14 7 4908.33 550.952 8 -1 14 7 4869.60 585.238 29 1 -14 -7 3352.94 407.142 26 1 -14 -7 4478.50 551.765 10 1 -14 -7 4750.23 563.322 24 1 -14 -6 57865.6 1841.69 10 1 -14 -6 57860.6 1900.84 24 -1 14 6 56098.5 1842.66 27 -1 14 6 56245.3 1801.30 8 -1 14 6 54502.0 1755.53 29 1 -14 -6 57932.3 1849.09 11 1 -14 -5 3096.13 472.227 10 1 -14 -5 2169.33 430.318 11 1 -14 -5 2051.14 413.742 24 -1 14 5 2754.13 470.744 8 -1 14 5 1937.38 441.491 27 -1 14 5 2310.44 407.353 29 -1 14 4 758.646 329.163 25 1 -14 -4 408.718 314.612 24 1 -14 -4 589.487 316.715 11 -1 14 4 784.302 354.689 27 -1 14 4 406.156 216.183 29 -1 14 4 289.227 242.755 8 1 -14 -3 367.666 260.700 24 -1 14 3 219.589 248.308 25 -1 14 3 591.442 184.020 29 -1 14 3 98.7774 242.331 8 1 -14 -3 389.755 276.861 11 -1 14 3 361.219 269.679 27 1 -14 -2 2966.25 408.721 24 1 -14 -2 3415.68 384.107 14 -1 14 2 3576.06 450.002 8 -1 14 2 3612.52 483.413 25 -1 14 2 3347.28 471.581 27 1 -14 -2 3303.57 464.706 11 -1 14 1 419.418 211.566 27 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2 -8 -9 27441.2 2853.55 19 2 -8 -9 25821.3 1298.53 11 -2 8 9 23857.5 1210.55 29 -2 8 9 26184.8 2861.03 2 2 -8 -9 23304.6 1268.06 24 -2 8 9 26770.3 3026.79 21 -2 8 9 24350.0 1225.83 12 -2 8 8 22715.1 2585.82 2 2 -8 -8 23746.1 1334.42 10 2 -8 -8 22025.7 1222.72 24 2 -8 -8 24037.5 1261.14 11 2 -8 -8 23753.1 1329.18 26 -2 8 8 23598.9 1205.23 29 -2 8 8 24135.4 1177.06 12 -2 8 8 23664.8 1151.01 28 -2 8 8 24605.1 1318.26 17 -2 8 8 23808.4 2737.46 21 2 -8 -8 22100.3 2518.78 19 2 -8 -7-223.888 752.422 19 -2 8 7-127.372 256.230 17 -2 8 7 292.112 176.401 29 2 -8 -7 30.2040 160.562 24 2 -8 -7 49.7159 129.622 11 2 -8 -7 150.793 173.052 10 2 -8 -7 556.463 238.857 26 2 -8 -7 901.368 358.058 1 -2 8 7-95.7309 575.711 2 -2 8 6 77.8149 137.721 27 -2 8 6 562.851 277.659 17 2 -8 -6 426.199 218.777 10 2 -8 -6 675.617 227.825 11 2 -8 -6-82.2978 505.592 19 -2 8 6 506.921 236.178 29 -2 8 6 444.506 256.934 25 2 -8 -6 179.576 194.045 24 2 -8 -6 977.121 307.234 26 -2 8 6 678.071 565.944 21 -2 8 6 179.625 579.012 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29 -2 8 1 9425.65 1541.86 18 2 -8 -1 11616.0 765.664 16 2 -8 -1 10491.6 820.799 24 -2 8 1 11257.4 871.480 29 -2 8 1 10661.1 873.872 27 -2 8 1 11360.8 881.271 25 -2 8 1 11179.2 1707.77 2 2 -8 -1 10918.1 833.505 14 2 -8 -1 8402.65 1426.83 20 2 -8 -1 11253.1 849.243 11 2 -8 -1 11504.3 1669.22 19 2 -8 0 969.438 300.907 11 -2 8 0 1584.93 771.961 18 -2 8 0 1002.37 360.248 25 2 -8 0 407.225 212.191 16 -2 8 0 1358.61 395.609 29 -2 8 0 943.934 355.467 27 -2 8 0-90.5282 539.141 2 2 -8 0 770.638 281.664 24 2 -8 0 779.563 301.919 14 2 -8 0 546.056 403.019 19 2 -8 0 240.796 583.910 20 -2 8 -1 9942.58 1884.82 18 -2 8 -1 10924.5 924.141 25 2 -8 1 11283.5 850.506 24 2 -8 1 11545.7 1638.08 3 2 -8 1 11350.1 842.137 16 -2 8 -1 10212.1 917.932 27 2 -8 1 10442.6 870.923 14 -2 8 -1 9384.19 822.599 29 2 -8 1 10396.6 834.299 11 2 -8 1 7931.21 1453.57 20 2 -8 2 306.879 308.093 14 2 -8 2 1072.15 305.976 11 2 -8 2 1603.29 482.717 20 2 -8 2 1795.36 409.362 16 -2 8 -2 1135.50 424.002 25 -2 8 -2 819.394 445.977 27 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2905.94 451.200 12 2 -7 -9 2236.53 394.636 24 -2 7 9 450.279 840.710 2 2 -7 -9 3162.30 531.273 26 2 -7 -8 11067.4 1658.95 19 2 -7 -8 10337.7 869.807 26 -2 7 8 9727.29 822.854 17 2 -7 -8 10700.6 875.711 10 -2 7 8 7358.19 633.816 29 2 -7 -8 6129.15 615.558 11 2 -7 -8 8323.60 736.252 24 -2 7 8 10682.2 749.230 12 -2 7 8 9526.18 1644.63 2 -2 7 8 10262.2 1769.25 21 -2 7 8 9872.63 786.456 28 2 -7 -7 561.715 697.338 19 2 -7 -7 1193.52 311.430 10 -2 7 7 500.140 175.079 29 2 -7 -7 779.710 236.655 24 -2 7 7-527.959 707.354 2 2 -7 -7 748.245 272.466 26 2 -7 -7 1074.53 261.472 11 -2 7 7 367.115 603.561 21 -2 7 7 1048.38 286.888 28 -2 7 7 763.484 281.170 17 2 -7 -7 222.203 231.528 1 -2 7 6 18873.1 1023.35 17 -2 7 6 16812.7 1942.58 2 2 -7 -6 18747.0 1030.62 10 -2 7 6 16048.9 1954.84 21 2 -7 -6 19199.3 1041.78 24 -2 7 6 18964.3 989.803 29 2 -7 -6 18414.4 1014.56 11 2 -7 -6 16685.9 1923.39 19 -2 7 5 3488.48 886.778 2 -2 7 5 3476.95 904.616 21 2 -7 -5 4134.32 951.436 19 2 -7 -4 669.275 640.291 19 -2 7 4 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91156.1 3741.43 20 -2 3 -4 299.720 505.969 4 2 -3 4 546.861 265.129 1 2 -3 4 573.524 330.484 3 -2 3 -4 451.618 524.156 18 2 -3 4-728.878 528.027 20 -2 3 -5 26331.1 2461.44 18 2 -3 5 30161.0 2595.81 20 2 -3 5 29890.6 2259.29 3 -2 3 -5 31736.0 2653.69 4 -2 3 -6 25101.8 2590.65 18 -2 3 -6 27260.0 1343.17 25 2 -3 6 29010.7 1352.54 16 2 -3 6 26891.3 2324.82 3 2 -3 6 24983.3 1158.98 14 -2 3 -6 25840.4 2545.53 4 2 -3 6 25167.7 2515.60 20 -2 3 -7 6919.64 1454.92 4 -2 3 -7 5531.45 1224.37 18 2 -3 7 7245.11 741.921 16 -2 3 -7 6761.92 753.990 27 -2 3 -7 7798.68 775.257 25 2 -3 7 7037.16 626.806 28 -2 3 -7 7343.49 722.155 23 2 -3 7 6081.74 1114.61 3 2 -3 7 8242.86 1570.27 20 -2 3 -8 15211.5 2112.84 18 -2 3 -8 21543.6 2720.61 4 -2 3 -8 20031.5 1287.56 25 2 -3 8 21419.5 1113.76 28 -2 3 -8 19036.3 1250.16 27 -2 3 -8 20920.7 1243.33 23 2 -3 8 20002.9 1228.70 16 2 -3 9 34206.9 1593.75 16 -2 3 -9 32233.2 1623.52 27 -2 3 -9 33628.1 1700.06 25 -2 3 -9 31480.8 1567.37 23 2 -3 9 33091.7 1486.72 6 2 -3 10 5708.45 690.433 16 2 -3 10 4820.68 624.339 6 -2 3 -10 5544.26 692.129 23 -2 3 -10 5057.26 720.869 25 -2 3 -10 5685.96 685.734 27 2 -3 11 278.471 237.343 6 2 -3 11 351.009 260.453 16 -2 3 -11 593.876 319.713 25 -2 3 -11 380.365 301.580 23 -2 3 -12 1471.01 295.805 23 2 -3 12 2241.99 310.804 16 -2 3 -12 2252.81 396.254 25 2 -3 12 2308.94 326.846 6 2 -2 -14 2153.01 354.084 10 -2 2 14 2033.80 312.066 6 2 -2 -14 1519.83 314.493 26 -2 2 14 1247.97 242.049 28 2 -2 -14 1421.93 299.850 23 2 -2 -13 55.1991 259.209 26 2 -2 -13 82.6073 279.926 10 -2 2 13 71.5768 242.328 28 2 -2 -13 791.711 319.059 23 -2 2 12 11442.4 829.848 16 -2 2 12 13013.6 956.979 28 2 -2 -12 12756.3 1030.17 10 2 -2 -12 13520.8 1064.06 23 2 -2 -12 12663.2 1047.60 26 2 -2 -11 20290.3 1325.68 10 -2 2 11 20819.5 1171.08 16 -2 2 11 20662.8 1214.04 28 2 -2 -11 19975.9 1320.89 26 2 -2 -11 19339.8 1275.87 23 2 -2 -10 4180.93 631.301 10 -2 2 10 3895.59 540.537 16 2 -2 -10 4191.27 592.700 23 -2 2 10 4604.13 607.505 28 2 -2 -10 4862.75 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8436.00 1245.58 4 2 -2 4 5752.17 1040.83 20 -2 2 -5 1870.27 663.759 4 -2 2 -5 1322.60 686.790 18 2 -2 5 1654.54 463.295 3 2 -2 5 1473.27 641.607 20 -2 2 -6 22518.8 2258.61 4 2 -2 6 22497.5 2258.20 20 -2 2 -6 17600.4 1990.35 18 -2 2 -6 21193.1 1101.38 25 2 -2 6 18867.6 1846.29 3 -2 2 -7 11024.8 1701.29 18 2 -2 7 12913.4 1668.23 3 -2 2 -7 13417.5 1878.24 4 2 -2 7 14135.4 937.705 16 -2 2 -7 14101.4 938.187 23 2 -2 7 9877.92 742.433 28 -2 2 -7 13755.1 968.025 25 -2 2 -8 186.425 500.584 4 -2 2 -8 309.117 463.712 18 -2 2 -8 595.828 323.466 23 2 -2 8 299.804 329.349 3 -2 2 -8 413.943 299.330 25 2 -2 8 201.740 288.518 16 2 -2 8 386.991 228.715 28 -2 2 -9 96019.7 2725.10 23 2 -2 9 99430.8 2488.21 28 2 -2 9 99791.1 2641.37 16 -2 2 -9 99006.2 2827.03 25 -2 2 -9 101019. 2828.06 27 -2 2 -9 99130.8 5782.19 4 -2 2 -10 66550.9 2264.71 27 2 -2 10 67409.2 2159.54 16 2 -2 10 64394.5 2097.14 6 -2 2 -10 67881.6 2403.12 25 -2 2 -10 64470.8 2241.04 23 2 -2 10 67644.7 2023.10 28 2 -2 11 24.8786 304.979 6 2 -2 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36977.7 2475.43 20 2 -1 5 37183.0 2113.11 3 -2 1 -5 40480.5 2506.90 18 -2 1 -5 39469.8 2544.32 4 -2 1 -6 69.6266 608.918 4 2 -1 6 35.4509 393.787 20 2 -1 6 591.221 370.382 3 -2 1 -6-108.967 361.030 18 -2 1 -7 8830.80 704.751 23 2 -1 7 13027.1 848.917 16 2 -1 7 10974.0 1413.34 3 2 -1 7 9284.76 710.367 28 -2 1 -7 14585.5 937.285 25 -2 1 -7 14655.5 1843.31 4 -2 1 -7 12340.7 1638.49 18 2 -1 8 1593.58 758.055 3 -2 1 -8 1504.32 777.048 4 -2 1 -8 1789.08 688.034 18 -2 1 -8 1257.44 339.850 25 2 -1 8 1293.08 354.347 16 2 -1 8 1202.82 315.661 28 -2 1 -8 1118.50 317.687 23 -2 1 -9 1144.07 365.327 23 2 -1 9 1481.90 369.070 28 -2 1 -9 1119.43 380.129 25 2 -1 9 881.212 320.835 16 -2 1 -10 9054.63 866.686 27 2 -1 10 8781.46 786.572 16 2 -1 10 9709.16 897.876 6 -2 1 -10 9072.55 902.711 25 2 -1 10 10335.3 862.628 28 -2 1 -10 8498.19 852.360 23 2 -1 11 2989.31 561.296 6 -2 1 -11 3187.84 520.740 27 2 -1 11 2916.82 464.486 28 -2 1 -11 2629.37 544.137 23 -2 1 -11 2777.73 570.021 25 2 -1 11 3600.92 533.088 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1 788.096 358.926 29 -3 8 1-1089.55 554.901 2 3 -8 -1 259.263 220.304 14 -3 8 1 724.860 322.121 25 3 -8 -1 294.342 231.137 24 3 -8 -1 668.936 232.444 11 3 -8 -1 620.643 493.759 20 -3 8 1 397.199 259.756 27 -3 8 0 65387.1 4418.73 18 3 -8 0 70409.7 2098.46 16 -3 8 0 64838.1 2258.97 27 -3 8 0 68924.1 2267.46 25 3 -8 0 69510.0 2108.56 24 -3 8 0 65940.6 2240.85 29 3 -8 0 68309.0 2210.53 14 3 -8 0 67981.7 4367.01 1 3 -8 0 71324.6 4308.65 20 3 -8 0 65392.2 2108.24 11 -3 8 -1 43189.8 3792.16 18 3 -8 1 44925.4 1757.92 16 3 -8 1 45255.0 1847.43 14 -3 8 -1 42976.3 1828.76 29 -3 8 -1 42401.3 1829.79 25 3 -8 1 38000.5 3189.76 1 -3 8 -1 43626.9 1917.90 27 3 -8 1 45331.0 3624.61 20 3 -8 1 41946.4 1685.91 11 -3 8 -2 66689.3 4923.41 18 3 -8 2 74954.6 2416.67 14 3 -8 2 71648.2 2291.23 16 -3 8 -2 73757.6 2478.69 25 -3 8 -2 72467.9 2516.07 27 -3 8 -2 69189.9 2337.22 29 3 -8 2 69464.0 4669.23 20 3 -8 2 75541.4 2252.40 11 -3 8 -3 48664.7 1960.27 29 3 -8 3 47814.8 1944.47 16 -3 8 -3 48324.4 2128.10 27 3 -8 3 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429.902 28 3 -7 -7 2052.47 372.782 14 3 -7 -7 2041.57 388.468 26 3 -7 -7 2334.80 796.922 1 3 -7 -7 3391.29 505.984 24 -3 7 7 3854.62 1143.26 21 -3 7 7 2674.28 947.083 2 3 -7 -6 1111.94 356.402 19 -3 7 6 735.324 239.021 29 3 -7 -6-52.7385 138.433 11 -3 7 6 185.991 225.434 17 3 -7 -6 158.436 184.935 10 3 -7 -6 720.568 468.488 1 3 -7 -6 334.116 215.554 14 3 -7 -6 177.910 186.066 24 -3 7 6 777.170 448.385 21 -3 7 6 267.555 428.346 2 3 -7 -5-122.944 372.985 19 3 -7 -5 855.308 264.889 11 -3 7 5-1145.05 563.192 2 3 -7 -5 851.344 487.613 1 -3 7 5 248.265 234.639 17 3 -7 -5-122.715 107.330 10 -3 7 5-129.553 194.471 25 3 -7 -5 157.934 161.691 14 3 -7 -5 365.755 246.101 24 -3 7 5-1859.15 731.969 21 -3 7 5-180.085 196.181 29 3 -7 -4 4141.15 1147.34 1 3 -7 -4 2923.71 917.538 19 -3 7 4 2408.04 621.171 18 -3 7 4 4134.98 901.968 2 -3 7 4 5108.21 578.717 17 3 -7 -4 4354.16 520.587 11 3 -7 -4 4049.31 503.593 24 -3 7 4 4138.01 519.547 29 3 -7 -4 4432.09 502.992 14 -3 7 4 4297.31 935.166 21 3 -7 -3 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11052.3 787.766 14 -4 10 -4 11519.9 864.307 25 4 -10 5-161.392 189.841 16 4 -10 5-69.3837 160.818 14 4 -10 5 134.107 169.230 13 -4 10 -5-36.9386 214.482 27 -4 10 -5 286.523 216.233 25 4 -9 -14 4942.54 401.782 9 -4 9 13 743.628 223.543 17 4 -9 -13 1227.64 260.638 10 -4 9 13 934.892 241.150 28 4 -9 -13 989.352 265.713 9 4 -9 -13 901.430 234.388 26 4 -9 -12 4060.60 509.540 10 -4 9 12 3953.28 528.120 17 -4 9 12 4178.00 501.550 28 4 -9 -12 3515.38 449.441 26 4 -9 -11 10743.3 864.119 10 -4 9 11 11013.1 893.279 17 4 -9 -11 10585.3 832.878 26 -4 9 11 9398.59 765.829 28 4 -9 -11 10521.5 807.333 24 4 -9 -11 10050.4 798.167 11 -4 9 10 1863.12 517.150 17 4 -9 -10 2026.78 414.830 10 4 -9 -10 1645.75 368.189 26 -4 9 10 1539.66 363.830 28 4 -9 -10 1994.14 452.363 24 4 -9 -10 1929.97 443.146 11 4 -9 -9 180.754 261.528 11 -4 9 9 304.755 396.041 17 4 -9 -9 286.709 196.066 10 -4 9 9 283.391 195.919 29 -4 9 9-82.6337 264.183 28 4 -9 -9 311.945 321.659 24 -4 9 8 9024.87 888.119 17 4 -9 -8 9560.97 843.638 10 -4 9 8 10025.1 825.237 29 -4 9 8 9311.09 779.665 28 4 -9 -8 8969.58 904.813 24 4 -9 -8 8436.50 845.439 11 4 -9 -7 1103.77 403.812 11 -4 9 7 1050.59 419.312 17 4 -9 -7 1105.54 348.667 10 4 -9 -7 840.978 372.028 24 -4 9 7 608.691 325.027 29 4 -9 -7 1009.00 307.928 14 4 -9 -7-422.630 843.674 1 -4 9 7 1943.86 762.000 21 -4 9 6 181567. 3661.50 17 4 -9 -6 190203. 3532.18 10 -4 9 6 180964. 3573.98 29 4 -9 -6 177726. 3578.90 14 4 -9 -6 188615. 3945.07 24 4 -9 -6 184835. 3879.96 11 4 -9 -6 185637. 8123.01 1 4 -9 -6 195052. 7641.86 19 4 -9 -5 2134.35 491.430 19 4 -9 -5 2232.27 493.995 11 -4 9 5 2178.19 464.489 17 4 -9 -5 1611.68 819.646 1 4 -9 -5 2323.56 434.333 14 -4 9 5 2685.83 452.858 25 -4 9 5 3219.50 569.299 29 4 -9 -5 2970.63 549.084 24 4 -9 -4 1122.61 678.962 19 4 -9 -4 57.1977 259.210 11 -4 9 4 217.941 281.649 17 -4 9 4 57.0701 197.474 27 4 -9 -4 309.488 233.002 14 -4 9 4-58.4564 231.949 25 4 -9 -4 462.182 335.941 24 -4 9 4 7.03011 321.888 29 4 -9 -3 5371.81 1372.76 19 -4 9 3 6203.69 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621.276 27 4 -9 1 2741.04 581.074 14 -4 9 -1 3293.70 620.924 25 4 -9 1 3285.79 514.358 11 4 -9 2 819.362 417.929 16 -4 9 -2 1514.70 557.794 27 -4 9 -2 779.240 404.720 25 4 -9 2 1147.22 446.184 14 -4 9 -2 1094.37 454.033 29 4 -9 3 2523.49 542.077 16 -4 9 -3 2531.64 503.423 29 -4 9 -3 2484.99 618.937 27 4 -9 3 3148.12 569.053 14 -4 9 -3 2738.34 608.644 25 -4 9 -4 2318.32 541.717 25 -4 9 -4 2280.61 453.787 29 4 -9 4 2875.22 523.383 16 -4 9 -4 1799.81 506.153 27 4 -9 4 2591.47 462.254 14 4 -9 5 4421.38 581.066 16 -4 9 -5 3311.45 549.142 27 4 -9 5 3400.77 467.045 14 -4 9 -5 4645.49 643.454 25 4 -9 6-72.2645 209.388 16 -4 9 -6-5.93453 243.630 27 4 -9 6 135.241 118.239 14 -4 9 -6-261.926 255.464 25 4 -9 6 68.1167 192.071 13 4 -9 7 1472.41 247.443 16 -4 9 -7 1243.75 271.483 25 4 -9 7 1553.16 239.375 13 -4 9 -7 1308.23 249.938 27 4 -8 -14 1504.79 263.278 10 -4 8 14 1366.26 256.310 28 4 -8 -14 763.988 173.914 9 4 -8 -14 1400.30 241.669 26 4 -8 -13 7854.72 656.050 10 -4 8 13 7800.50 596.300 17 4 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17 4 -5 -5 14137.8 902.287 14 4 -5 -5 13803.3 916.758 24 -4 5 5 10588.1 1502.72 21 4 -5 -5 13569.6 905.118 11 4 -5 -5 10882.9 1305.41 19 4 -5 -4 112372. 5024.45 1 -4 5 4 121622. 4634.33 18 -4 5 4 116313. 4524.16 21 4 -5 -4 116541. 4441.44 19 -4 5 3 8120.64 1242.17 18 4 -5 -3 6309.72 1284.59 1 -4 5 3 9204.33 1187.70 21 4 -5 -3 9377.96 1340.77 19 4 -5 -2 649.769 461.835 19 -4 5 2-41.8578 470.754 18 4 -5 -2 304.892 583.564 1 -4 5 2 935.731 346.562 21 -4 5 1 41009.3 2869.43 18 4 -5 -1 41393.4 2375.22 20 4 -5 -1 38440.5 2931.94 1 -4 5 0 29.2435 546.630 18 4 -5 0 1100.36 725.867 1 4 -5 0-54.0010 178.936 20 -4 5 -1 7578.96 1454.72 18 4 -5 1 7313.57 645.282 16 4 -5 1 6601.02 618.380 14 4 -5 1 8356.99 1386.91 1 4 -5 1 5609.82 1127.74 20 -4 5 -1 5474.86 1101.39 4 -4 5 -2 11429.2 1846.86 18 4 -5 2 12591.9 1663.97 1 4 -5 2 12609.6 889.347 16 -4 5 -2 13167.1 949.978 27 4 -5 2 14150.2 934.678 14 -4 5 -2 13901.5 920.463 25 -4 5 -2 15029.7 1946.23 4 4 -5 2 10029.5 1530.31 20 -4 5 -3 9137.87 1693.66 18 4 -5 3 7462.54 730.252 16 -4 5 -3 7676.03 776.965 27 -4 5 -3 7184.07 716.824 25 4 -5 3 8001.64 1406.49 1 4 -5 3 7996.28 1223.69 5 4 -5 3 7837.05 1467.84 20 4 -5 3 7595.83 720.828 14 -4 5 -3 6324.87 1400.18 4 -4 5 -4 631.646 736.965 18 4 -5 4 3356.38 564.170 16 -4 5 -4 3037.46 566.279 27 4 -5 4 2750.70 461.535 14 -4 5 -4 3029.74 529.077 25 4 -5 4 2760.75 1002.04 20 -4 5 -4 2658.19 938.266 4 4 -5 5 234.304 369.246 16 4 -5 5-246.910 290.477 14 -4 5 -5 32.8059 291.044 25 -4 5 -5-85.0078 388.964 27 4 -5 5-1152.62 865.524 20 -4 5 -5 360.136 646.558 4 -4 5 -6 23063.2 2915.58 18 4 -5 6 24618.1 1419.40 16 -4 5 -6 22994.7 1487.26 27 4 -5 6 22802.0 1222.54 14 -4 5 -6 23862.6 1453.85 25 4 -5 7 418.272 374.747 16 -4 5 -7 143.575 421.704 27 -4 5 -7 47.9414 376.837 25 4 -5 8 3911.65 610.582 16 -4 5 -8 3607.29 667.911 27 -4 5 -8 3639.53 633.775 25 -4 5 -8 4052.55 546.747 29 4 -5 8 3563.27 535.302 13 4 -5 9 19471.3 1087.95 16 -4 5 -9 18810.3 1172.86 25 4 -5 9 19284.6 997.538 13 -4 5 -9 18027.1 1150.02 27 4 -5 10 28082.9 1091.29 16 -4 5 -10 28811.1 1238.62 25 4 -4 -14 7628.84 564.298 10 4 -4 -14 7085.44 549.462 26 -4 4 13 85.8167 247.877 28 4 -4 -13 36.0620 139.652 9 4 -4 -13-288.760 274.315 26 4 -4 -12 5431.18 672.031 10 -4 4 12 5238.74 534.565 16 4 -4 -12 4546.34 531.725 9 4 -4 -12 5272.13 658.056 26 -4 4 12 5908.53 655.894 28 4 -4 -11 17347.8 1182.74 10 -4 4 11 17998.7 1155.43 28 4 -4 -11 18203.9 1153.16 9 4 -4 -11 16632.3 1194.22 26 4 -4 -10 461.516 242.073 15 -4 4 10 1096.54 324.116 17 4 -4 -10 795.290 309.077 10 4 -4 -10 353.295 325.238 26 4 -4 -10 1190.31 315.998 24 -4 4 10 959.332 430.351 28 4 -4 -9 31166.4 1563.57 10 -4 4 9 31090.0 1378.99 17 4 -4 -9 27465.9 1462.65 15 4 -4 -9 32004.4 1581.88 26 -4 4 9 34774.9 3363.55 3 -4 4 9 31108.8 1537.79 28 4 -4 -9 29914.2 1439.93 24 -4 4 9 30004.8 3165.07 21 4 -4 -9 31043.4 1537.11 11 -4 4 8 1857.87 396.315 17 4 -4 -8 1687.04 375.364 10 4 -4 -8 2314.89 421.327 15 -4 4 8 1839.35 465.424 28 4 -4 -8 1647.15 419.431 26 4 -4 -8 1501.07 340.743 24 -4 4 8 2455.65 758.557 2 -4 4 8 1056.04 802.822 21 -4 4 8 2470.01 1037.60 3 4 -4 -8 2082.34 418.386 11 4 -4 -7 10805.8 831.471 10 -4 4 7 9968.28 784.779 17 4 -4 -7 7028.35 663.617 15 4 -4 -7 9660.56 788.138 26 4 -4 -7 9261.36 788.945 24 -4 4 7 7805.06 1288.36 2 -4 4 7 9635.26 1665.75 21 4 -4 -7 10024.3 840.581 11 -4 4 7 10026.0 1643.44 3 4 -4 -6 2509.53 409.478 11 -4 4 6 1800.32 721.903 18 -4 4 6 1706.53 335.813 17 4 -4 -6 2318.17 354.483 10 4 -4 -6 2474.94 367.654 15 4 -4 -6 2204.34 784.604 1 4 -4 -6 2016.94 371.884 24 4 -4 -6 4223.40 887.264 5 -4 4 6 1777.13 609.394 2 -4 4 6 2064.30 802.866 21 -4 4 6 3367.96 944.974 3 -4 4 5 10609.6 1423.27 18 -4 4 5 14430.5 1409.84 2 4 -4 -5 10754.1 1466.80 1 4 -4 -5 11538.8 1422.53 5 -4 4 5 11120.3 1503.18 21 4 -4 -4 722.433 296.838 19 -4 4 4 97.8239 309.680 18 4 -4 -4 333.795 370.174 1 -4 4 4 748.410 467.823 21 -4 4 4 146.189 346.052 2 -4 4 3 50456.7 2877.45 18 4 -4 -3 51445.7 3191.98 1 -4 4 3 54792.4 2805.55 21 4 -4 -3 51567.7 2680.31 19 -4 4 2 57683.2 3085.03 18 4 -4 -2 56161.0 3387.16 1 -4 4 2 59402.9 2638.74 21 4 -4 -2 56731.4 2901.53 19 -4 4 1-11.6638 499.375 18 4 -4 -1 321.019 558.671 1 -4 4 1 474.729 252.325 21 4 -4 -1-530.964 298.525 20 -4 4 0 9171.65 1379.04 18 4 -4 0 9851.29 1411.64 1 -4 4 0 9410.18 1203.28 4 4 -4 0 9587.45 1191.04 20 -4 4 -1 65329.2 3645.09 18 4 -4 1 63882.7 3531.51 1 -4 4 -1 66107.3 3369.60 4 4 -4 1 63297.3 3282.36 20 -4 4 -2 29460.6 2614.39 18 4 -4 2 27801.4 2339.53 1 4 -4 2 26958.3 2142.36 5 -4 4 -2 28308.9 2377.19 4 4 -4 2 26756.5 2313.91 20 -4 4 -3 2257.52 819.539 4 -4 4 -3 1973.24 846.057 18 4 -4 3 1820.78 340.439 16 -4 4 -3 2290.13 436.019 27 4 -4 3 2006.81 358.775 14 4 -4 3 2473.86 738.587 5 4 -4 3 2107.86 665.204 1 4 -4 3 2281.92 821.614 20 -4 4 -4 693.463 708.855 4 -4 4 -4 648.259 491.110 18 -4 4 -4 748.552 302.770 25 4 -4 4 819.102 273.105 14 4 -4 4 860.582 309.680 16 -4 4 -4 573.369 295.002 27 4 -4 4 788.019 184.617 28 4 -4 4 637.642 642.189 20 -4 4 -5-319.445 892.038 4 -4 4 -5 857.475 529.306 18 4 -4 5 773.600 359.871 16 -4 4 -5 587.713 333.721 27 4 -4 5 887.135 323.098 14 -4 4 -5 535.958 302.205 25 4 -4 5 889.117 367.642 20 4 -4 5 700.455 262.074 28 -4 4 -6 3135.59 1145.93 4 -4 4 -6 2402.55 1011.80 18 4 -4 6 3187.76 581.482 16 4 -4 6 4504.88 549.621 28 4 -4 6 3173.46 448.458 6 -4 4 -6 4046.14 635.451 25 -4 4 -6 2995.39 611.078 27 4 -4 7 28540.7 1325.15 28 4 -4 7 28608.3 1310.70 6 4 -4 7 26933.8 1470.20 16 -4 4 -7 27699.0 1602.40 27 -4 4 -7 29649.2 1584.49 25 4 -4 8 11643.6 833.788 6 4 -4 8 10952.3 953.371 16 -4 4 -8 10585.1 971.956 25 4 -4 8 10896.7 903.791 13 -4 4 -8 10424.8 1031.32 27 4 -4 9 2211.97 460.633 16 4 -4 9 1740.20 356.748 6 -4 4 -9 1835.31 540.113 27 -4 4 -9 2086.80 519.471 25 4 -4 9 1642.97 332.812 13 4 -4 10 3661.73 390.739 6 4 -4 10 3603.80 473.021 16 -4 4 -10 4307.40 591.883 25 -4 4 -10 2931.23 528.817 27 4 -4 11 2678.33 317.599 16 -4 4 -11 3131.42 392.069 27 -4 4 -11 3323.74 434.703 25 4 -3 -14 2102.67 284.440 10 4 -3 -14 2174.12 299.491 26 4 -3 -13 143.904 205.044 10 -4 3 13 243.941 124.138 16 -4 3 13 42.1063 206.502 28 4 -3 -13 47.7284 190.049 26 4 -3 -12 17935.0 1146.34 10 -4 3 12 18396.9 987.929 16 4 -3 -12 17708.0 971.367 9 4 -3 -12 20323.8 1235.37 26 -4 3 12 20747.6 1120.14 28 4 -3 -11 30455.9 1569.15 10 -4 3 11 32006.8 1482.06 28 4 -3 -11 32911.1 1477.65 9 4 -3 -11 31539.8 1603.48 26 4 -3 -10 21357.9 1332.66 10 -4 3 10 19347.2 1221.83 28 4 -3 -10 21138.5 1360.34 15 4 -3 -10 18448.9 1182.44 9 4 -3 -10 20478.0 1327.99 26 4 -3 -9 1417.56 361.969 10 -4 3 9 1043.41 396.605 28 4 -3 -9 1656.62 407.290 9 4 -3 -9 1921.45 465.794 26 4 -3 -9 1963.46 399.124 24 4 -3 -9 1847.00 412.560 15 -4 3 9 1511.37 837.189 21 -4 3 9 886.753 629.874 3 4 -3 -8 5701.05 655.595 10 -4 3 8 5735.66 592.067 17 4 -3 -8 6462.91 705.072 26 4 -3 -8 5458.49 666.751 15 -4 3 8 4862.08 653.825 28 4 -3 -8 5420.08 605.258 24 -4 3 8 4688.92 1115.93 2 -4 3 8 5584.15 1270.98 3 -4 3 8 3697.08 1087.09 21 4 -3 -8 5762.40 657.650 11 -4 3 7 1071.15 267.850 17 4 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1582.11 743.966 1 -4 3 1 2113.91 419.568 21 -4 3 0-397.596 521.714 18 4 -3 0 668.517 567.439 1 4 -3 0 382.344 432.278 5 -4 3 0 103.822 243.272 4 -4 3 -1 24618.5 2080.96 18 4 -3 1 23488.7 2045.88 1 4 -3 1 22381.2 1871.28 5 -4 3 -1 20616.1 1702.91 4 4 -3 1 23026.6 1830.11 20 -4 3 -2 7418.79 1172.43 4 -4 3 -2 7323.02 1261.03 18 4 -3 2 7719.63 1096.82 5 4 -3 2 6579.67 1082.32 1 4 -3 2 6732.66 1130.84 20 -4 3 -3 27571.5 2481.38 18 4 -3 3 32813.8 2434.93 1 4 -3 3 29770.0 2137.68 5 -4 3 -3 33522.1 2546.07 4 4 -3 3 28405.9 2400.09 20 -4 3 -4 2638.77 860.190 4 -4 3 -4 2467.64 915.550 18 4 -3 4 3738.82 492.256 16 4 -3 4 2274.50 711.184 1 4 -3 4 3752.76 779.052 5 4 -3 4 1382.36 606.772 20 -4 3 -5 336.845 506.820 4 4 -3 5 201.274 275.239 16 4 -3 5 184.461 161.476 28 4 -3 5 963.905 259.787 6 -4 3 -5 530.171 243.290 25 -4 3 -6 17095.9 2312.83 18 4 -3 6 18394.0 1072.97 28 4 -3 6 16008.7 982.682 6 4 -3 6 17268.7 1135.43 16 -4 3 -6 16839.4 1116.74 25 -4 3 -6 17485.6 2315.32 4 -4 3 -7 2133.29 893.093 4 -4 3 -7 1425.79 779.836 18 4 -3 7 1475.04 445.202 16 4 -3 7 386.945 277.338 28 -4 3 -7 1011.35 438.522 27 -4 3 -7 1535.79 432.176 25 4 -3 7 1570.95 394.231 6 4 -3 8 6847.25 712.728 28 4 -3 8 6793.31 698.450 6 4 -3 8 6272.48 735.286 16 -4 3 -8 7038.61 834.729 25 4 -3 8 6611.50 701.768 13 -4 3 -8 5826.04 818.687 27 4 -3 9 3332.40 474.439 13 4 -3 9 4136.58 608.367 16 4 -3 9 3829.03 513.380 28 4 -3 9 3812.96 540.224 6 -4 3 -9 3883.58 644.591 25 -4 3 -9 3529.51 667.368 27 4 -3 10 1139.68 337.438 16 -4 3 -10 1098.37 413.190 27 4 -3 10 1621.36 374.711 6 4 -3 10 1276.42 308.252 28 -4 3 -10 1371.83 449.778 25 4 -3 11 465.529 198.680 16 4 -3 11 811.029 229.430 6 -4 3 -11 1084.87 344.687 27 -4 3 -11 964.256 361.451 25 -4 3 -12-16.1666 174.765 25 4 -2 -13 632.409 226.746 10 -4 2 13 800.688 221.714 16 -4 2 13 173.927 143.461 28 4 -2 -13 596.590 267.558 26 4 -2 -12 3080.02 507.471 10 -4 2 12 3847.87 482.825 16 -4 2 12 3907.94 486.887 28 4 -2 -12 2967.93 506.100 26 4 -2 -11 2009.45 370.761 9 4 -2 -11 2279.37 491.972 10 -4 2 11 2255.24 441.139 16 -4 2 11 3090.48 524.882 28 4 -2 -11 2204.62 525.504 26 4 -2 -10 542.095 360.715 10 4 -2 -10 504.632 356.744 15 -4 2 10 308.681 293.064 28 4 -2 -10 491.106 255.775 9 4 -2 -10 655.904 440.690 26 4 -2 -9 1293.07 383.517 10 -4 2 9 1347.85 401.946 28 4 -2 -9 1738.37 400.580 9 4 -2 -9 1554.21 449.901 26 4 -2 -9 773.540 362.831 15 -4 2 9 1420.87 825.686 3 4 -2 -8 50474.5 1895.71 10 -4 2 8 49137.8 1857.21 28 4 -2 -8 49972.3 1835.96 9 4 -2 -8 50633.6 1943.56 26 -4 2 8 60491.9 4309.53 3 4 -2 -8 51916.2 1844.37 24 4 -2 -8 50784.6 2020.05 15 -4 2 8 53114.7 3987.29 21 -4 2 8 58224.4 3816.89 2 4 -2 -7 10524.9 822.911 10 4 -2 -7 10723.5 878.147 15 -4 2 7 12875.4 911.724 28 4 -2 -7 11115.3 859.409 26 -4 2 7 11011.2 1735.81 3 4 -2 -7 10715.5 813.830 24 -4 2 7 12065.8 1800.66 21 4 -2 -7 10873.0 851.243 11 4 -2 -6 67193.8 1892.69 10 -4 2 6 71154.7 4015.47 3 4 -2 -6 71299.6 1987.06 26 -4 2 6 70529.6 4026.32 21 4 -2 -6 65721.6 1969.12 11 -4 2 5 44283.3 2892.00 3 4 -2 -5 50508.0 2662.43 5 -4 2 5 44285.0 2960.24 21 -4 2 5 50432.7 2632.50 2 -4 2 4 17093.6 1586.58 3 4 -2 -4 18946.8 1640.93 5 4 -2 -4 16745.3 1376.77 22 4 -2 -4 12826.7 1451.16 1 -4 2 4 16672.4 1678.90 21 -4 2 4 19517.6 1408.27 2 -4 2 3 10528.8 865.866 2 4 -2 -3 8551.10 1189.54 1 -4 2 3 9779.07 1065.47 3 4 -2 -3 8408.89 1060.46 5 4 -2 -3 6866.77 874.230 22 -4 2 3 8436.53 1118.64 21 4 -2 -2 29395.7 2206.08 1 4 -2 -2 28468.1 1979.60 5 4 -2 -2 28383.5 1667.69 22 -4 2 2 28561.6 1843.52 21 -4 2 1 123426. 4137.09 18 4 -2 -1 123920. 4499.52 1 4 -2 -1 123162. 4136.93 5 4 -2 -1 120821. 3406.14 22 -4 2 1 122586. 3378.59 21 -4 2 0 40105.4 2406.21 18 4 -2 0 42180.9 2623.54 1 4 -2 0 37550.8 2268.36 5 -4 2 0 38373.7 1716.90 4 -4 2 0 40701.4 1614.13 21 -4 2 -1 172850. 5074.37 18 4 -2 1 170211. 5181.58 1 4 -2 1 164903. 4729.49 5 -4 2 -1 164325. 4076.88 4 -4 2 -2 186983. 5529.97 18 4 -2 2 197365. 5594.28 1 4 -2 2 186211. 5044.32 5 -4 2 -2 186245. 4926.84 4 -4 2 -3 2149.08 667.605 4 -4 2 -3 2403.88 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1385.66 3 4 6 1 10661.8 773.684 9 4 6 1 10667.3 768.717 13 4 6 1 10269.5 767.066 8 4 6 1 9459.11 1406.51 2 4 6 1 11993.9 1764.07 22 4 6 1 9835.25 765.345 12 -4 -6 -1 9455.90 1505.57 20 4 6 2 1966.46 352.113 9 4 6 2 774.190 446.194 2 4 6 2 1280.50 260.325 13 4 6 2 2011.24 355.873 8 4 6 2 1507.10 627.678 22 -4 -6 -2 2105.88 909.158 20 -4 -6 -2 2640.38 749.789 19 4 6 3 703.573 544.931 2 4 6 3 1663.35 321.368 9 4 6 3 2164.53 375.542 8 4 6 3 2761.21 893.750 22 -4 -6 -3 2547.97 1025.93 20 -4 -6 -3 1401.14 672.606 19 4 6 4 1054.54 462.690 2 4 6 4 287.781 198.191 9 4 6 4 524.615 230.539 8 4 6 4 327.406 593.407 22 -4 -6 -4 33.1573 690.666 20 -4 -6 -4 26.0270 379.183 19 4 6 5 6595.44 1183.59 2 4 6 5 8453.23 673.847 9 4 6 5 7634.53 630.752 8 4 6 5 8884.08 687.902 12 4 6 5 9412.62 1437.09 22 4 6 5 9256.57 714.210 7 -4 -6 -5 8580.53 1358.08 19 4 6 6 35414.3 1396.16 17 4 6 6 33315.5 1272.90 6 4 6 6 30305.5 2530.47 2 4 6 6 33658.7 1335.35 9 4 6 6 36803.4 1431.48 29 4 6 6 35424.8 1381.30 12 4 6 6 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7 4 9 7 29163.1 1449.48 29 4 9 7 29576.9 1438.96 8 4 9 7 29428.6 3022.32 2 4 9 7 28491.9 1477.97 12 -4 -9 -7 31492.3 3437.77 20 4 9 7 28956.0 1418.94 7 -4 -9 -7 31935.6 3282.60 19 4 9 8 32874.9 1457.27 17 -4 -9 -8 30835.6 1425.71 10 4 9 8 32407.5 1436.35 8 4 9 8 30659.0 1507.10 29 4 9 8 30386.0 1506.89 12 -4 -9 -8 36244.3 3778.15 20 4 9 8 31820.3 1534.25 7 -4 -9 -8 34713.3 3356.41 4 4 9 9 466.968 327.724 7 4 9 9 530.502 279.301 17 4 9 9 208.407 267.263 12 4 9 10 37995.3 1647.52 17 -4 -9 -10 37965.6 1696.79 26 4 9 10 38108.5 1667.48 12 4 9 10 38690.0 1712.02 7 4 9 11 12081.3 932.071 17 -4 -9 -11 12096.9 935.298 26 4 9 11 11616.3 918.557 12 4 9 11 11214.2 944.175 7 4 9 12 2021.61 458.071 7 4 9 12 2060.06 451.530 17 -4 -9 -12 2018.74 381.720 26 -4 -9 -12 2140.53 498.425 23 4 9 12 1717.03 379.036 12 4 9 13 991.015 330.730 7 4 9 13 842.711 302.785 17 -4 -9 -13 650.275 191.393 26 -4 -9 -13 766.986 316.436 23 4 9 14 418.467 205.883 7 4 9 14 598.731 260.064 17 -4 -9 -14 287.250 205.147 23 4 9 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429.830 8 8 5 5 1790.47 471.826 7 8 5 6 192.265 424.457 6 8 5 6 342.509 266.410 8 8 5 6 388.831 312.932 13 8 5 6 506.525 389.134 7 8 5 7 1445.95 450.001 6 8 5 7 1161.45 360.878 8 8 5 7 1686.06 387.424 13 8 5 7 1104.84 398.763 7 8 5 8 7892.65 818.647 6 8 5 8 7505.23 664.315 8 8 5 8 8028.81 662.559 13 8 5 8 8064.32 863.415 7 8 5 9 17929.6 1120.99 6 8 5 9 19619.4 1177.28 7 8 5 10 22641.7 1161.34 6 8 5 10 24184.0 1186.24 7 8 5 11 1021.79 287.653 6 8 5 11 1332.15 304.051 7 8 5 12 4301.44 395.637 6 8 6 -5 133.630 99.5893 9 -8 -6 5 133.013 122.128 14 8 6 -4 18909.9 982.942 9 8 6 -3 5411.29 600.528 9 8 6 -2 22817.3 1276.22 9 8 6 -1 18559.8 1201.55 9 8 6 -1 17782.2 1004.89 8 8 6 0 4071.07 644.937 9 8 6 0 3440.89 522.517 8 8 6 1 93.4968 313.518 9 8 6 1-19.4703 370.409 13 8 6 1 354.217 272.859 8 8 6 2 5749.36 726.307 9 8 6 2 6996.27 786.362 8 8 6 2 6333.56 770.090 13 8 6 3 39032.0 1692.78 9 8 6 3 42521.3 1865.01 8 8 6 3 40873.8 1787.39 13 8 6 3 41550.8 1572.95 7 8 6 4 14227.3 1009.97 9 8 6 4 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2579.54 538.710 8 8 7 4 9289.19 834.508 9 8 7 4 10283.9 947.638 8 8 7 4 9511.41 853.703 13 8 7 5 2256.72 413.018 9 8 7 5 2354.91 462.410 13 8 7 5 2020.92 505.670 8 8 7 5 1895.81 409.429 7 8 7 6 2290.18 439.577 13 8 7 6 2085.15 472.731 8 8 7 6 2204.49 446.992 7 8 7 7 551.589 344.524 6 8 7 7 515.964 268.946 13 8 7 7 268.929 260.888 8 8 7 7-13.5615 341.235 7 8 7 8 479.175 311.511 6 8 7 8 142.951 237.420 8 8 7 8 4.48670 333.569 7 8 7 9 3363.02 517.048 7 8 7 9 2644.35 406.219 6 8 7 9 3188.36 386.897 8 8 7 10 1406.86 322.176 6 8 7 10 1618.42 362.668 7 8 7 11 3222.97 377.498 6 8 7 11 2539.77 374.184 7 8 7 12 9376.00 553.306 7 8 8 -2 414.712 209.333 9 8 8 -1 1266.98 363.471 9 8 8 0 3680.75 546.272 9 8 8 0 3481.45 432.865 8 8 8 1 9457.10 819.009 9 8 8 1 9052.54 750.659 8 8 8 2 217.713 283.047 9 8 8 2 103.968 263.953 8 8 8 3 653.943 332.461 9 8 8 3 922.551 389.716 8 8 8 4 10442.1 860.574 9 8 8 4 11703.7 975.768 8 8 8 5 30.0457 209.795 9 8 8 5-15.8769 266.397 13 8 8 5-113.190 377.809 8 8 8 6 413.679 243.830 13 8 8 6 337.955 303.148 8 8 8 6-192.722 213.231 7 8 8 7 688.620 208.851 13 8 8 7 76.5109 248.023 8 8 8 7-166.703 269.256 7 8 8 8 8771.36 696.091 8 8 8 8 8253.34 719.013 7 8 8 9 13853.2 753.729 8 8 8 9 14662.0 917.367 7 8 8 10 253.185 177.984 6 8 8 10 138.970 188.667 7 8 8 11 190.444 163.913 7 8 9 -1 6729.24 532.219 9 8 9 0 3871.04 473.685 9 8 9 1 16081.8 950.878 9 8 9 1 14607.1 826.515 8 8 9 2 6950.18 668.861 9 8 9 2 6823.18 626.481 8 8 9 3 13123.8 910.357 9 8 9 3 15671.1 986.423 8 8 9 4 9796.46 796.672 9 8 9 4 9848.63 833.541 8 8 9 5 336.389 298.512 8 8 9 6 1695.32 402.175 8 8 9 7 12259.0 820.126 8 8 9 7 6899.88 560.566 7 8 9 8 2184.37 360.970 8 8 9 8 2814.33 387.178 7 8 9 9 13759.9 712.529 8 8 9 9 13543.3 790.506 7 8 9 10 148.636 183.370 7 8 9 11 541.974 176.638 7 8 10 1 4178.81 435.910 9 8 10 2 1578.14 328.834 9 8 10 2 1390.66 262.740 8 8 10 3 1891.39 341.880 9 8 10 3 2012.14 340.380 8 8 10 4 35174.9 1354.18 8 8 10 5 383.790 229.316 8 8 10 6 3129.17 444.089 8 8 10 7 4796.94 495.764 8 8 10 8 1073.10 235.610 8 8 10 9 877.623 195.618 8 8 11 3 506.388 162.005 8 8 11 4 3693.84 388.760 8 8 11 5 4270.46 444.505 8 8 11 6 10451.5 657.926 8 8 11 7 9277.31 584.428 8 -9 9 6 801.731 200.082 17 -9 9 5 7347.08 535.211 17 -9 9 4 10554.0 650.415 17 -9 9 3 3732.88 391.374 17 -9 9 2 304.955 149.698 17 -9 8 7 223.165 132.322 17 -9 8 6 4192.02 436.299 17 -9 8 6 3766.79 382.888 28 -9 8 5 1067.30 291.954 17 -9 8 5 1139.43 266.323 28 9 -8 -5 617.503 175.873 24 -9 8 4 2413.76 408.936 17 9 -8 -4 1745.59 294.191 24 -9 8 3-83.4111 222.476 17 -9 8 2 235.548 236.279 17 -9 8 1 21979.0 1013.92 17 -9 8 1 24118.1 973.686 29 -9 8 0 11109.5 685.661 17 -9 8 0 8620.69 603.958 29 -9 8 -1 7853.51 506.939 17 -9 8 -1 6908.21 533.739 29 -9 7 8 11516.9 618.453 28 -9 7 7 1944.15 313.669 17 -9 7 7 1817.65 309.910 28 -9 7 6 4243.21 481.545 17 -9 7 6 4194.06 468.395 28 9 -7 -6 4579.09 489.896 24 -9 7 5 5812.50 595.447 17 9 -7 -5 5658.18 496.034 15 9 -7 -5 5541.34 550.604 24 -9 7 4 7906.58 721.362 17 9 -7 -4 7787.22 605.647 15 9 -7 -4 8134.93 656.578 24 -9 7 3 745.022 372.335 17 9 -7 -3 803.833 252.324 15 -9 7 2 161.967 292.512 17 9 -7 -2 530.513 246.587 15 -9 7 1 19635.2 1102.21 17 -9 7 1 19941.5 963.040 29 9 -7 -1 19605.0 982.294 15 -9 7 0 8327.63 665.870 29 9 -7 0 7574.11 620.600 15 9 -7 0 9171.91 644.414 13 -9 7 -1 332.090 239.880 29 9 -7 1 843.327 240.542 15 9 -7 1 314.516 165.023 13 -9 7 -2 1065.64 280.471 29 9 -7 2 1450.57 270.241 15 9 -7 2 936.901 222.062 13 9 -7 3 645.737 177.636 15 9 -7 3 821.195 205.496 13 -9 6 8 8977.96 598.701 28 -9 6 7 305.496 169.035 17 9 -6 -7 267.907 143.224 15 -9 6 7 140.385 218.464 28 9 -6 -7 317.208 153.704 9 -9 6 6 600.727 257.312 17 9 -6 -6 161.246 168.342 15 -9 6 6 548.866 281.071 28 9 -6 -6 488.057 238.278 24 -9 6 5 28910.0 1290.14 17 9 -6 -5 27623.8 1261.88 24 -9 6 4 3406.85 532.323 17 9 -6 -4 3925.46 478.983 15 9 -6 -4 3764.71 486.918 24 -9 6 3 9487.29 853.578 17 9 -6 -3 10599.7 795.680 15 9 -6 -3 9871.36 744.635 24 9 -6 -2 9414.44 771.315 15 9 -6 -1 4685.60 569.017 15 9 -6 -1 5691.28 547.945 13 -9 6 0 751.467 272.622 29 9 -6 0 378.673 226.534 13 -9 6 -1 135.433 248.901 29 9 -6 1 196.924 220.202 15 9 -6 1 447.836 246.882 13 -9 6 -2 18732.7 1084.26 29 9 -6 2 19935.8 1059.44 15 9 -6 2 19938.4 1066.96 13 -9 6 -3 14441.6 921.115 29 9 -6 3 14972.1 875.969 15 9 -6 3 14941.2 895.841 13 -9 6 -4 3411.26 465.451 29 9 -6 4 3819.67 426.062 15 9 -6 4 3675.26 435.094 13 -9 6 -5 9758.00 627.018 29 9 -6 5 11104.2 634.700 13 9 -5 -8-42.8629 135.672 15 -9 5 8-122.473 174.656 28 9 -5 -8 251.323 172.538 9 -9 5 7 6275.57 496.750 17 9 -5 -7 6035.16 559.078 15 9 -5 -7 6502.94 562.221 9 -9 5 7 6273.81 609.155 28 -9 5 6 23589.2 1078.54 17 9 -5 -6 23462.7 1144.17 15 9 -5 -6 22679.1 1057.56 9 -9 5 6 20312.1 1110.07 28 -9 5 5 35983.6 1451.54 17 9 -5 -5 36092.7 1478.02 15 9 -5 -5 33736.8 1440.06 24 -9 5 4 196.781 297.339 17 9 -5 -4 427.419 274.567 15 9 -5 -4 515.049 241.683 24 -9 5 3 170.098 393.759 17 9 -5 -3 635.773 351.214 15 9 -5 -3 395.321 226.573 24 9 -5 -2 5260.64 641.676 15 9 -5 -1 4227.47 598.586 15 9 -5 -1 3174.15 452.761 13 9 -5 0 170.505 284.637 15 9 -5 0-41.5712 246.740 13 -9 5 -1 17123.1 1058.54 29 9 -5 1 17616.8 1113.07 15 9 -5 1 16379.2 1051.02 13 -9 5 -2 2638.68 486.674 29 9 -5 2 2993.26 497.118 15 9 -5 2 3776.52 528.942 13 -9 5 -3 37789.6 1572.51 29 9 -5 3 39769.7 1548.96 15 9 -5 3 42922.8 1662.96 13 -9 5 -4 6676.48 690.393 29 9 -5 4 8318.69 700.999 15 9 -5 4 7469.46 685.161 13 -9 5 -5 2036.94 393.089 29 9 -5 5 2573.56 395.210 15 9 -5 5 2008.03 349.715 13 -9 5 -6 4425.44 448.117 29 9 -5 6 4957.09 432.478 15 9 -5 6 4614.70 417.932 13 9 -4 -8 595.280 204.527 15 -9 4 8 1130.22 280.122 28 9 -4 -8 1065.65 247.720 9 9 -4 -7 5534.60 573.204 15 9 -4 -7 6243.75 582.611 9 -9 4 7 6272.77 607.808 28 -9 4 6 6683.91 564.734 17 9 -4 -6 6162.93 643.439 15 9 -4 -6 5570.08 579.775 9 -9 4 6 6246.87 665.805 28 -9 4 5 5145.47 566.305 17 9 -4 -5 5023.74 618.152 15 9 -4 -5 4931.87 545.567 9 -9 4 4-116.924 338.496 17 9 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15 -9 3 6 1567.03 400.530 28 9 -3 -6 830.329 290.115 9 -9 3 5 20300.9 1021.76 17 9 -3 -5 20362.0 1225.87 15 9 -3 -5 20263.4 1121.08 9 -9 3 4 1314.68 395.855 17 9 -3 -4 1037.70 410.735 15 9 -3 -4 1396.84 334.781 9 9 -3 -3 13858.5 1063.27 15 9 -3 -2 78282.6 2476.26 15 9 -3 -2 75788.9 2111.73 13 9 -3 -1 76100.5 2464.67 15 9 -3 -1 70844.5 2179.40 13 9 -3 0 9315.80 919.609 15 9 -3 0 9463.10 850.098 13 9 -3 1 755.670 454.835 15 9 -3 1 449.074 325.259 13 -9 3 -2 716.613 364.035 29 9 -3 2 327.837 362.487 15 9 -3 2 1677.54 457.991 13 9 -3 2 1274.44 470.902 7 -9 3 -3 262.296 318.353 29 9 -3 3 299.449 363.430 15 9 -3 3 1103.33 470.881 13 9 -3 3 537.244 397.281 7 -9 3 -4 20478.5 1275.68 29 9 -3 4 20203.6 1239.20 15 9 -3 4 21846.2 1276.73 13 9 -3 4 20091.3 1070.45 7 -9 3 -5 7616.12 790.000 29 9 -3 5 8084.12 767.021 15 9 -3 5 8186.70 771.832 13 -9 3 -6 37970.7 1575.57 29 9 -3 6 39062.9 1508.23 15 9 -3 6 38518.0 1452.13 13 -9 3 -7 23633.7 1136.02 29 9 -3 7 22940.3 1031.41 15 9 -3 7 24112.7 1011.33 13 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475.359 309.585 7 9 -2 6 10279.0 853.327 15 9 -2 6 9309.56 774.413 13 9 -2 6 9421.00 673.022 7 9 -2 7 12270.1 832.991 15 -9 2 -7 10328.0 729.003 27 9 -2 7 11548.0 768.957 13 -9 2 -8 6323.87 597.330 29 9 -2 8 6915.79 549.325 15 9 -2 8 6848.45 497.658 13 9 -1 -8 120.556 158.077 15 9 -1 -8-36.7034 149.614 9 9 -1 -7 3773.41 492.320 15 -9 1 7 3083.02 350.882 28 9 -1 -7 3271.18 418.926 9 9 -1 -6 1373.79 375.707 15 -9 1 6 977.534 277.322 28 9 -1 -6 1738.29 392.929 9 9 -1 -5 1411.78 401.829 15 -9 1 5 923.303 335.224 28 9 -1 -5 1771.96 428.332 9 9 -1 -4-24.5611 341.803 15 9 -1 -4 436.613 276.630 9 9 -1 -3 809.446 367.176 15 9 -1 -3 624.734 301.126 9 9 -1 -2 41451.8 1602.23 9 9 -1 -2 39355.7 1796.53 15 9 -1 -2 42023.9 1652.87 13 9 -1 -1-127.982 342.302 15 9 -1 -1 182.144 234.008 13 9 -1 0 1836.86 446.004 15 9 -1 0 1626.99 419.432 13 9 -1 0 2334.47 593.529 7 9 -1 1 5220.71 740.978 15 9 -1 1 5419.35 703.686 13 9 -1 1 5198.70 744.499 7 9 -1 2 1305.14 455.526 15 9 -1 2 1569.80 457.729 13 9 -1 2 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15 10 0 -2 12833.9 796.911 9 10 0 -2 12168.8 898.539 15 10 0 -2 11957.7 778.546 13 10 0 -1 9825.37 832.950 15 10 0 -1 8320.53 701.939 13 10 0 0 10381.7 864.590 15 10 0 0 10258.8 816.890 13 10 0 1 2104.76 406.676 15 10 0 1 2653.49 461.203 13 10 0 2 8411.40 763.784 15 10 0 2 8111.22 769.201 13 10 0 2 8543.55 797.274 7 10 0 3 719.147 292.928 15 10 0 3 233.696 260.752 13 10 0 3 1019.49 448.023 7 10 0 4 3455.95 483.255 15 10 0 4 3890.11 537.787 13 10 0 4 3307.35 543.730 7 10 0 5 21990.2 1091.30 15 10 0 5 20266.2 1096.44 13 10 0 5 20549.7 1070.60 7 10 0 6 24577.8 1081.35 15 10 0 6 25107.1 1120.25 13 10 0 6 26255.2 1094.08 7 -10 0 -7 13402.2 778.182 29 10 0 7 13642.3 704.723 15 10 0 7 14144.1 744.186 13 10 1 -5 521.344 189.453 15 10 1 -5 36.8629 141.028 9 10 1 -4 5922.66 551.198 9 10 1 -4 5219.49 549.647 15 10 1 -3 835.523 292.495 15 10 1 -3 224.517 185.755 9 10 1 -2 3465.87 457.117 9 10 1 -2 3327.92 486.483 15 10 1 -2 3407.11 444.473 13 10 1 -1 15130.8 982.924 15 10 1 -1 15245.9 945.214 13 10 1 0 2272.40 403.923 15 10 1 0 3051.12 464.392 13 10 1 1 2523.23 419.084 15 10 1 1 2484.52 451.564 13 10 1 1 1737.29 405.173 7 10 1 2 10309.8 813.175 15 10 1 2 11122.3 894.084 13 10 1 2 11090.8 884.613 7 10 1 3 7116.81 678.720 15 10 1 3 8086.46 767.460 13 10 1 3 7740.80 748.280 7 10 1 4 13853.4 891.317 15 10 1 4 14601.2 988.567 13 10 1 4 14947.4 981.881 7 10 1 5 7987.83 653.898 15 10 1 5 7370.76 687.059 13 10 1 5 7496.37 692.086 7 10 1 6 47335.6 1450.59 15 10 1 6 47538.4 1558.90 13 10 1 6 50097.9 1600.74 7 10 1 7 17383.8 852.175 13 10 1 7 19515.9 900.794 7 10 2 -5 3055.62 336.191 9 10 2 -4 1973.07 309.442 15 10 2 -4 2106.13 341.411 9 10 2 -3 10009.5 717.320 9 10 2 -3 9603.46 714.766 15 10 2 -2 4961.10 530.790 9 10 2 -2 4373.44 512.651 15 10 2 -1 716.944 258.689 15 10 2 -1 706.222 242.714 9 10 2 -1 514.508 238.984 13 10 2 0 288.038 212.762 15 10 2 0 468.330 166.568 9 10 2 0 91.8327 233.830 13 10 2 1 34.5545 189.040 15 10 2 1 612.880 305.445 13 10 2 1 382.733 293.386 7 10 2 2 1076.54 278.835 15 10 2 2 1245.25 389.297 13 10 2 2 789.365 327.961 7 10 2 3 8568.08 695.628 15 10 2 3 8849.62 808.487 13 10 2 3 8356.84 756.960 7 10 2 4 2973.39 410.891 15 10 2 4 2832.87 484.133 13 10 2 4 2567.23 504.896 7 10 2 5 564.806 186.818 15 10 2 5 844.423 325.281 13 10 2 5 1000.40 399.534 7 10 2 6 8194.77 665.715 13 10 2 6 8965.48 728.704 7 10 2 7 759.770 287.584 6 10 2 7 1379.02 267.348 13 10 2 7 731.244 273.202 7 10 2 8 323.735 204.892 6 10 2 8 320.669 163.421 7 10 3 -4 10563.6 635.033 9 10 3 -3 7114.54 586.870 9 10 3 -3 5409.73 468.377 15 10 3 -2 3381.28 448.395 9 10 3 -2 2231.40 343.513 15 10 3 -1-287.003 208.820 15 10 3 -1-47.7111 194.611 13 10 3 0 47968.2 1564.43 9 10 3 0 46492.1 1529.64 15 10 3 0 49593.1 1698.92 13 10 3 1 1414.00 273.237 15 10 3 1 780.219 280.497 13 10 3 2 22112.1 1041.35 15 10 3 2 22794.8 1222.07 13 10 3 2 22251.1 1121.18 7 10 3 3 11152.6 860.914 13 10 3 3 10746.4 815.656 7 10 3 4 185.350 247.080 13 10 3 4 85.4538 294.517 7 10 3 5 14322.0 931.953 13 10 3 5 13100.1 897.062 7 10 3 6 16966.0 935.235 13 10 3 6 18042.0 1011.89 7 10 3 7 4264.21 437.766 13 10 3 7 4974.42 534.829 7 10 3 8 3949.72 417.264 7 10 4 -3 17859.6 836.388 9 10 4 -2 11961.5 748.026 9 10 4 -1 196.105 175.023 9 10 4 0 4143.38 472.735 9 10 4 0 4448.43 534.702 13 10 4 1 8872.16 660.514 9 10 4 1 8419.30 728.338 13 10 4 2 1754.94 386.800 8 10 4 2 1694.78 419.018 13 10 4 2 1535.32 309.910 7 10 4 3 4288.19 553.060 13 10 4 3 4479.22 563.822 8 10 4 3 3897.87 481.339 7 10 4 4 2709.25 455.991 13 10 4 4 2574.69 436.416 7 10 4 5 21785.1 1109.54 13 10 4 5 21390.7 1094.51 7 10 4 6 16321.6 894.600 13 10 4 6 18491.4 989.800 7 10 4 7 1233.07 240.559 13 10 4 7 1595.77 340.649 7 10 4 8 9539.17 629.755 7 10 5 -2 646.747 187.398 9 10 5 -1 290.751 168.544 9 10 5 0 8719.79 634.681 9 10 5 1 5059.19 493.389 9 10 5 2 328.494 184.819 9 10 5 2 22.5484 220.957 8 10 5 2 123.390 231.105 13 10 5 3 4983.11 569.991 8 10 5 3 5703.97 573.661 13 10 5 3 4249.07 424.410 7 10 5 4 60.1124 231.269 8 10 5 4 670.862 270.339 13 10 5 4 266.591 221.860 7 10 5 5 9080.59 701.316 13 10 5 5 8215.36 643.304 7 10 5 6 9788.01 671.805 13 10 5 6 10238.9 717.907 7 10 5 7 128.729 139.695 13 10 5 7 123.006 200.180 7 10 5 8 684.449 224.819 7 10 6 -1 210.250 107.467 9 10 6 0 7384.93 549.298 9 10 6 1 4453.72 445.609 9 10 6 2 8843.94 594.972 9 10 6 2 9324.58 660.663 8 10 6 3 944.715 209.420 9 10 6 3 600.439 234.243 13 10 6 3 761.595 289.240 8 10 6 4 145.269 212.737 8 10 6 4-150.351 216.231 13 10 6 5 480.272 230.439 8 10 6 5 326.630 201.819 13 10 6 5 526.166 208.038 7 10 6 6 2993.18 362.601 13 10 6 6 3125.16 371.462 7 10 6 7 7375.96 483.229 13 10 6 7 9660.43 613.764 7 10 6 8 1879.27 291.197 7 10 7 2 3670.06 361.039 9 10 7 2 3221.42 348.976 8 10 7 3 1959.33 259.942 9 10 7 3 3575.86 408.803 8 10 7 4 10942.3 702.154 8 10 7 5 6741.34 547.276 8 10 7 6 6803.36 519.506 8 10 8 5 15272.0 708.708 8 11 -4 -1 193.791 125.068 15 11 -4 0 982.690 211.682 15 11 -3 -3 13761.4 712.427 15 11 -3 -2 15374.7 783.857 15 -11 3 1 9200.26 576.114 17 11 -3 -1 11533.8 695.789 15 -11 3 0 543.239 199.556 17 11 -3 0 1021.79 251.361 15 11 -3 1 4007.09 421.146 15 11 -3 2 439.884 179.417 15 11 -2 -3 12091.8 686.251 15 11 -2 -2 13946.0 773.632 15 11 -2 -1 28129.7 1111.73 15 -11 2 0-6.30474 183.002 17 11 -2 0 224.655 139.408 15 11 -2 0 556.119 185.331 13 11 -2 1 132.427 157.933 15 11 -2 1-85.5821 113.314 13 11 -2 2 12058.4 719.214 15 11 -2 2 8040.17 551.979 13 11 -2 3 2195.40 312.610 15 11 -2 3 1102.48 226.703 13 11 -1 -3 2318.05 311.257 15 11 -1 -2 1829.06 293.553 15 11 -1 -1 8940.42 646.959 15 -11 1 0 6412.13 491.196 17 11 -1 0 7906.28 612.703 15 11 -1 0 8301.36 568.003 13 11 -1 1 293.188 192.282 15 11 -1 1 79.4025 144.849 13 11 -1 2 6443.60 536.618 15 11 -1 2 6743.83 542.881 13 11 -1 3 5419.75 479.731 15 11 -1 3 5792.24 509.101 13 11 -1 4 617.548 173.127 15 11 -1 4 518.385 170.182 13 11 0 -2 14680.5 772.166 15 11 0 -1 7706.84 597.213 15 11 0 0 3071.38 384.633 15 11 0 0 2707.97 337.071 13 11 0 1 238.622 182.651 15 11 0 1 33.7839 156.309 13 11 0 2 417.774 162.375 15 11 0 2 70.5190 148.119 13 11 0 3 2302.07 314.644 15 11 0 3 2430.37 357.181 13 11 0 4 505.837 139.472 15 11 0 4 410.653 201.191 13 11 0 5 2380.34 302.777 13 11 1 -1 16612.2 803.711 15 11 1 0 402.039 179.880 15 11 1 0 94.1778 99.3574 13 11 1 1 9.30800 134.826 15 11 1 1 89.5876 161.333 13 11 1 2 1823.52 291.735 15 11 1 2 2025.93 338.066 13 11 1 3 486.713 147.134 15 11 1 3 232.430 158.603 13 11 1 4 5214.75 479.856 13 11 1 5 336.013 139.242 13 11 2 0 967.981 219.141 13 11 2 1 3892.11 418.795 13 11 2 2 6170.61 535.046 13 11 2 3 31.5146 163.873 13 11 2 4 6669.64 533.356 13 11 2 5 3311.07 357.897 13 11 2 5 3430.56 388.316 7 11 3 1 391.199 173.510 13 11 3 2 27481.0 1073.36 13 11 3 3 3397.39 390.388 13 11 3 4 425.890 176.306 13 11 3 5 1402.58 232.400 13 11 3 5 1358.56 267.383 7 11 4 2 28295.9 1033.12 13 11 4 3 230.777 147.248 13 11 4 4 62.0682 149.676 13 0 0 0 0.00 0.00 0 TITL GARD25Q in P-1 REM P-1 (#2 in standard setting) CELL 1.54184 9.381458 12.985726 13.074986 64.4428 85.5974 88.9905 ZERR 2.00 0.000294 0.000427 0.000461 0.0033 0.0027 0.0026 LATT 1 SFAC C H N O F P S Mn UNIT 56.00 50.00 8.00 6.00 6.00 2.00 2.00 2.00 TREF HKLF 4 END ; _shelx_hkl_checksum 71362 _olex2_submission_original_sample_id gard25q _olex2_submission_special_instructions 'No special instructions were received' _oxdiff_exptl_absorpt_empirical_details ; Empirical correction (ABSPACK) includes: - Absorption correction using spherical harmonics - Frame scaling ; _oxdiff_exptl_absorpt_empirical_full_max 1.264 _oxdiff_exptl_absorpt_empirical_full_min 0.847 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, -y, -z' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_site_symmetry_order _atom_site_calc_flag _atom_site_refinement_flags_posn _atom_site_refinement_flags_adp _atom_site_refinement_flags_occupancy _atom_site_disorder_assembly _atom_site_disorder_group Mn1 Mn 0.500000 0.500000 0.500000 0.01565(9) Uani 1 2 d S . P . . S2 S 0.63312(4) 0.24050(3) 0.62568(3) 0.01965(10) Uani 1 1 d . . . . . P1 P 0.44702(4) 0.53750(3) 0.74640(3) 0.01667(10) Uani 1 1 d . . . . . F1 F 0.53723(16) 0.14233(11) 0.84104(10) 0.0508(4) Uani 1 1 d . . . . . F2 F 0.76191(16) 0.18254(12) 0.81359(11) 0.0512(3) Uani 1 1 d . . . . . F3 F 0.68121(15) 0.04115(10) 0.78988(11) 0.0450(3) Uani 1 1 d . . . . . O1 O 0.42385(12) 0.54757(9) 0.62993(9) 0.0177(2) Uani 1 1 d . . . . . O2 O 0.59473(13) 0.34793(10) 0.62982(10) 0.0240(3) Uani 1 1 d . . . . . O3 O 0.51895(13) 0.18768(10) 0.59751(11) 0.0277(3) Uani 1 1 d . . . . . O4 O 0.77093(13) 0.24012(12) 0.57082(12) 0.0310(3) Uani 1 1 d . . . . . N11 N 0.77742(14) 0.67198(11) 0.49495(12) 0.0186(3) Uani 1 1 d . . . . . N12 N 0.72593(15) 0.58800(11) 0.47062(12) 0.0193(3) Uani 1 1 d . . . . . N21 N 0.73960(15) 0.79522(12) 0.58861(12) 0.0201(3) Uani 1 1 d . . . . . N22 N 0.86688(16) 0.81756(14) 0.61879(16) 0.0321(4) Uani 1 1 d . . . . . C1 C 0.63205(17) 0.51173(14) 0.77725(14) 0.0185(3) Uani 1 1 d . . . . . C2 C 0.74009(17) 0.58412(14) 0.70193(14) 0.0190(3) Uani 1 1 d . . . . . C3 C 0.88259(18) 0.55861(15) 0.72539(15) 0.0220(3) Uani 1 1 d . . . . . H3 H 0.955248 0.605723 0.675694 0.026 Uiso 1 1 calc R U . . . C4 C 0.91689(19) 0.46360(15) 0.82219(15) 0.0258(4) Uani 1 1 d . . . . . H4 H 1.012191 0.447713 0.836978 0.031 Uiso 1 1 calc R U . . . C5 C 0.8101(2) 0.39252(15) 0.89665(15) 0.0262(4) Uani 1 1 d . . . . . H5 H 0.833417 0.329193 0.961612 0.031 Uiso 1 1 calc R U . . . C6 C 0.66834(19) 0.41606(15) 0.87407(14) 0.0231(3) Uani 1 1 d . . . . . H6 H 0.596569 0.367778 0.923766 0.028 Uiso 1 1 calc R U . . . C7 C 0.70555(17) 0.68547(13) 0.59193(14) 0.0180(3) Uani 1 1 d . . . . . H7 H 0.602326 0.682949 0.585832 0.022 Uiso 1 1 calc R U . . . C11 C 0.91222(18) 0.70435(15) 0.44803(15) 0.0232(3) Uani 1 1 d . . . . . H11 H 0.968967 0.758533 0.455195 0.028 Uiso 1 1 calc R U . . . C12 C 0.94954(19) 0.64262(17) 0.38811(16) 0.0279(4) Uani 1 1 d . . . . . H12 H 1.035064 0.646967 0.345360 0.033 Uiso 1 1 calc R U . . . C13 C 0.83145(18) 0.57165(16) 0.40503(16) 0.0254(4) Uani 1 1 d . . . . . H13 H 0.826870 0.519303 0.374287 0.030 Uiso 1 1 calc R U . . . C14 C 0.6546(2) 0.14718(16) 0.77568(16) 0.0305(4) Uani 1 1 d . . . . . C21 C 0.6512(2) 0.88541(15) 0.55892(15) 0.0257(4) Uani 1 1 d . . . . . H21 H 0.559390 0.888694 0.535592 0.031 Uiso 1 1 calc R U . . . C22 C 0.7221(2) 0.97038(15) 0.56965(16) 0.0284(4) Uani 1 1 d . . . . . H22 H 0.689532 1.042908 0.555880 0.034 Uiso 1 1 calc R U . . . C23 C 0.8544(2) 0.92438(16) 0.60589(17) 0.0295(4) Uani 1 1 d . . . . . H23 H 0.926226 0.964245 0.619564 0.035 Uiso 1 1 calc R U . . . C31 C 0.39886(17) 0.66670(14) 0.75745(13) 0.0194(3) Uani 1 1 d . . . . . C32 C 0.28297(19) 0.72690(16) 0.70062(15) 0.0256(4) Uani 1 1 d . . . . . H32 H 0.232611 0.699923 0.658326 0.031 Uiso 1 1 calc R U . . . C33 C 0.2429(2) 0.82726(16) 0.70731(17) 0.0306(4) Uani 1 1 d . . . . . H33 H 0.164943 0.866721 0.669565 0.037 Uiso 1 1 calc R U . . . C34 C 0.3167(2) 0.87022(15) 0.76926(16) 0.0287(4) Uani 1 1 d . . . . . C35 C 0.4320(2) 0.80924(16) 0.82582(16) 0.0289(4) Uani 1 1 d . . . . . H35 H 0.482285 0.836351 0.868050 0.035 Uiso 1 1 calc R U . . . C36 C 0.47333(19) 0.70844(15) 0.82027(14) 0.0236(3) Uani 1 1 d . . . . . H36 H 0.550826 0.668722 0.858550 0.028 Uiso 1 1 calc R U . . . C37 C 0.2760(2) 0.98228(17) 0.7714(2) 0.0426(5) Uani 1 1 d . . . . . H37A H 0.281006 0.976004 0.846925 0.064 Uiso 1 1 calc R U . . . H37B H 0.180355 1.000701 0.748901 0.064 Uiso 1 1 calc R U . . . H37C H 0.340835 1.041420 0.719712 0.064 Uiso 1 1 calc R U . . . C41 C 0.33950(17) 0.42334(14) 0.85341(14) 0.0204(3) Uani 1 1 d . . . . . C42 C 0.3191(2) 0.32480(15) 0.83859(15) 0.0266(4) Uani 1 1 d . . . . . H42 H 0.364045 0.317949 0.775954 0.032 Uiso 1 1 calc R U . . . C43 C 0.2319(2) 0.23701(16) 0.91719(17) 0.0323(4) Uani 1 1 d . . . . . H43 H 0.218612 0.171634 0.906476 0.039 Uiso 1 1 calc R U . . . C44 C 0.16354(19) 0.24484(16) 1.01219(15) 0.0294(4) Uani 1 1 d . . . . . C45 C 0.18593(19) 0.34270(17) 1.02709(15) 0.0286(4) Uani 1 1 d . . . . . H45 H 0.142383 0.348717 1.090585 0.034 Uiso 1 1 calc R U . . . C46 C 0.27230(19) 0.43173(16) 0.94871(14) 0.0249(4) Uani 1 1 d . . . . . H46 H 0.285496 0.497034 0.959575 0.030 Uiso 1 1 calc R U . . . C47 C 0.0652(2) 0.15024(19) 1.09451(19) 0.0425(5) Uani 1 1 d . . . . . H47A H 0.120910 0.087384 1.141911 0.064 Uiso 1 1 calc R U . . . H47B H 0.004892 0.125415 1.053087 0.064 Uiso 1 1 calc R U . . . H47C H 0.007126 0.177580 1.141026 0.064 Uiso 1 1 calc R U . . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 Mn1 0.01435(18) 0.01709(17) 0.01688(17) -0.00861(14) -0.00114(13) -0.00063(13) S2 0.0166(2) 0.01975(19) 0.0236(2) -0.01006(16) -0.00314(15) 0.00040(15) P1 0.0139(2) 0.01971(19) 0.01787(19) -0.00951(15) -0.00127(15) 0.00022(15) F1 0.0584(9) 0.0470(7) 0.0289(6) -0.0014(5) 0.0072(6) 0.0141(6) F2 0.0628(9) 0.0486(7) 0.0446(7) -0.0181(6) -0.0314(7) 0.0047(6) F3 0.0629(9) 0.0242(6) 0.0448(7) -0.0104(5) -0.0169(6) 0.0155(6) O1 0.0156(5) 0.0214(5) 0.0184(5) -0.0105(4) -0.0017(4) -0.0004(4) O2 0.0296(7) 0.0202(6) 0.0225(6) -0.0090(5) -0.0059(5) 0.0043(5) O3 0.0223(6) 0.0249(6) 0.0378(7) -0.0144(5) -0.0086(5) -0.0016(5) O4 0.0183(6) 0.0379(7) 0.0398(7) -0.0201(6) 0.0001(5) 0.0015(5) N11 0.0157(7) 0.0191(6) 0.0232(7) -0.0114(6) -0.0001(5) -0.0020(5) N12 0.0167(7) 0.0205(6) 0.0242(7) -0.0128(6) -0.0022(5) -0.0017(5) N21 0.0167(7) 0.0199(7) 0.0271(7) -0.0130(6) -0.0027(5) 0.0002(5) N22 0.0192(8) 0.0303(8) 0.0554(10) -0.0255(8) -0.0097(7) -0.0004(6) C1 0.0171(8) 0.0220(8) 0.0205(7) -0.0127(6) -0.0039(6) 0.0026(6) C2 0.0181(8) 0.0215(8) 0.0226(8) -0.0140(7) -0.0036(6) 0.0015(6) C3 0.0164(8) 0.0256(8) 0.0279(8) -0.0151(7) -0.0024(6) 0.0009(6) C4 0.0196(9) 0.0314(9) 0.0317(9) -0.0177(8) -0.0091(7) 0.0075(7) C5 0.0280(9) 0.0264(8) 0.0255(8) -0.0115(7) -0.0101(7) 0.0085(7) C6 0.0244(9) 0.0246(8) 0.0218(8) -0.0111(7) -0.0039(7) 0.0015(7) C7 0.0143(8) 0.0191(7) 0.0227(8) -0.0109(6) -0.0014(6) -0.0015(6) C11 0.0161(8) 0.0261(8) 0.0288(9) -0.0133(7) 0.0009(7) -0.0048(7) C12 0.0157(8) 0.0399(10) 0.0334(9) -0.0216(8) 0.0040(7) -0.0048(7) C13 0.0179(8) 0.0336(9) 0.0331(9) -0.0226(8) -0.0003(7) -0.0009(7) C14 0.0346(10) 0.0254(9) 0.0315(9) -0.0116(8) -0.0087(8) 0.0074(8) C21 0.0248(9) 0.0240(8) 0.0317(9) -0.0146(7) -0.0079(7) 0.0049(7) C22 0.0343(10) 0.0216(8) 0.0334(9) -0.0152(7) -0.0061(8) 0.0027(7) C23 0.0259(9) 0.0271(9) 0.0426(10) -0.0212(8) -0.0046(8) -0.0046(7) C31 0.0168(8) 0.0218(8) 0.0193(7) -0.0091(6) 0.0014(6) 0.0000(6) C32 0.0196(9) 0.0302(9) 0.0287(9) -0.0140(7) -0.0031(7) 0.0027(7) C33 0.0233(9) 0.0271(9) 0.0371(10) -0.0106(8) 0.0021(8) 0.0057(7) C34 0.0267(10) 0.0213(8) 0.0348(10) -0.0115(7) 0.0142(8) -0.0039(7) C35 0.0315(10) 0.0290(9) 0.0316(9) -0.0194(8) 0.0066(8) -0.0087(8) C36 0.0226(9) 0.0264(8) 0.0241(8) -0.0132(7) -0.0012(7) -0.0008(7) C37 0.0379(12) 0.0257(10) 0.0633(14) -0.0217(10) 0.0188(10) -0.0047(9) C41 0.0148(8) 0.0247(8) 0.0191(8) -0.0070(6) -0.0013(6) 0.0006(6) C42 0.0243(9) 0.0258(8) 0.0279(9) -0.0110(7) 0.0054(7) -0.0003(7) C43 0.0305(10) 0.0236(9) 0.0375(10) -0.0092(8) 0.0046(8) -0.0016(8) C44 0.0202(9) 0.0299(9) 0.0260(9) -0.0012(7) 0.0002(7) 0.0020(7) C45 0.0203(9) 0.0433(10) 0.0192(8) -0.0111(8) 0.0007(7) -0.0011(8) C46 0.0212(9) 0.0351(9) 0.0211(8) -0.0145(7) -0.0022(7) -0.0019(7) C47 0.0335(11) 0.0365(11) 0.0379(11) 0.0006(9) 0.0095(9) -0.0033(9) loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0181 0.0091 'International Tables 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' F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Mn Mn -0.5299 2.8052 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' S S 0.3331 0.5567 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' loop_ _exptl_crystal_face_index_h _exptl_crystal_face_index_k _exptl_crystal_face_index_l _exptl_crystal_face_perp_dist 0 1 8 0.0236 0 -1 -8 0.0366 0 -8 -2 0.0487 0 8 2 0.0467 6 0 1 0.0549 -6 0 -1 0.0879 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 O1 Mn1 O1 180.0 2_666 . ? O1 Mn1 O2 88.88(4) . . ? O1 Mn1 O2 91.12(4) 2_666 . ? O1 Mn1 O2 91.12(4) . 2_666 ? O1 Mn1 O2 88.88(4) 2_666 2_666 ? O1 Mn1 N12 85.16(4) . 2_666 ? O1 Mn1 N12 94.84(4) 2_666 2_666 ? O1 Mn1 N12 94.84(4) . . ? O1 Mn1 N12 85.16(4) 2_666 . ? O2 Mn1 O2 180.0 2_666 . ? O2 Mn1 N12 86.31(5) . . ? O2 Mn1 N12 86.31(5) 2_666 2_666 ? O2 Mn1 N12 93.69(5) . 2_666 ? O2 Mn1 N12 93.69(5) 2_666 . ? N12 Mn1 N12 180.0 2_666 . ? O2 S2 C14 101.79(8) . . ? O3 S2 O2 113.85(7) . . ? O3 S2 C14 104.12(9) . . ? O4 S2 O2 115.16(8) . . ? O4 S2 O3 115.93(8) . . ? O4 S2 C14 103.54(9) . . ? O1 P1 C1 111.55(7) . . ? O1 P1 C31 110.72(7) . . ? O1 P1 C41 110.72(7) . . ? C31 P1 C1 107.21(8) . . ? C31 P1 C41 107.87(8) . . ? C41 P1 C1 108.63(8) . . ? P1 O1 Mn1 145.07(7) . . ? S2 O2 Mn1 128.94(7) . . ? N12 N11 C7 116.98(13) . . ? C11 N11 N12 111.57(13) . . ? C11 N11 C7 127.96(14) . . ? N11 N12 Mn1 133.54(10) . . ? C13 N12 Mn1 121.54(11) . . ? C13 N12 N11 104.27(13) . . ? N22 N21 C7 122.31(13) . . ? C21 N21 N22 112.11(14) . . ? C21 N21 C7 125.55(14) . . ? C23 N22 N21 103.47(14) . . ? C2 C1 P1 120.31(12) . . ? C6 C1 P1 119.88(13) . . ? C6 C1 C2 119.74(15) . . ? C1 C2 C7 121.39(14) . . ? C3 C2 C1 118.90(15) . . ? C3 C2 C7 119.61(15) . . ? C2 C3 H3 119.7 . . ? C4 C3 C2 120.68(16) . . ? C4 C3 H3 119.7 . . ? C3 C4 H4 119.8 . . ? C5 C4 C3 120.35(16) . . ? C5 C4 H4 119.8 . . ? C4 C5 H5 120.2 . . ? C4 C5 C6 119.69(16) . . ? C6 C5 H5 120.2 . . ? C1 C6 H6 119.7 . . ? C5 C6 C1 120.64(17) . . ? C5 C6 H6 119.7 . . ? N11 C7 C2 109.24(12) . . ? N11 C7 H7 107.4 . . ? N21 C7 N11 111.36(13) . . ? N21 C7 C2 113.78(13) . . ? N21 C7 H7 107.4 . . ? C2 C7 H7 107.4 . . ? N11 C11 H11 126.4 . . ? N11 C11 C12 107.26(15) . . ? C12 C11 H11 126.4 . . ? C11 C12 H12 127.5 . . ? C11 C12 C13 105.04(15) . . ? C13 C12 H12 127.5 . . ? N12 C13 C12 111.82(15) . . ? N12 C13 H13 124.1 . . ? C12 C13 H13 124.1 . . ? F1 C14 S2 111.78(13) . . ? F1 C14 F2 108.01(16) . . ? F1 C14 F3 106.99(17) . . ? F2 C14 S2 111.41(14) . . ? F2 C14 F3 108.00(15) . . ? F3 C14 S2 110.46(13) . . ? N21 C21 H21 126.5 . . ? N21 C21 C22 107.08(16) . . ? C22 C21 H21 126.5 . . ? C21 C22 H22 127.7 . . ? C21 C22 C23 104.56(15) . . ? C23 C22 H22 127.7 . . ? N22 C23 C22 112.77(16) . . ? N22 C23 H23 123.6 . . ? C22 C23 H23 123.6 . . ? C32 C31 P1 118.27(13) . . ? C32 C31 C36 119.38(15) . . ? C36 C31 P1 122.34(13) . . ? C31 C32 H32 120.1 . . ? C33 C32 C31 119.76(17) . . ? C33 C32 H32 120.1 . . ? C32 C33 H33 119.3 . . ? C32 C33 C34 121.46(17) . . ? C34 C33 H33 119.3 . . ? C33 C34 C37 120.84(19) . . ? C35 C34 C33 118.25(16) . . ? C35 C34 C37 120.88(19) . . ? C34 C35 H35 119.5 . . ? C36 C35 C34 121.04(17) . . ? C36 C35 H35 119.5 . . ? C31 C36 H36 119.9 . . ? C35 C36 C31 120.11(17) . . ? C35 C36 H36 119.9 . . ? C34 C37 H37A 109.5 . . ? C34 C37 H37B 109.5 . . ? C34 C37 H37C 109.5 . . ? H37A C37 H37B 109.5 . . ? H37A C37 H37C 109.5 . . ? H37B C37 H37C 109.5 . . ? C42 C41 P1 118.50(13) . . ? C42 C41 C46 119.27(16) . . ? C46 C41 P1 122.20(13) . . ? C41 C42 H42 120.0 . . ? C43 C42 C41 119.97(16) . . ? C43 C42 H42 120.0 . . ? C42 C43 H43 119.4 . . ? C42 C43 C44 121.22(18) . . ? C44 C43 H43 119.4 . . ? C43 C44 C47 120.41(19) . . ? C45 C44 C43 118.43(17) . . ? C45 C44 C47 121.13(18) . . ? C44 C45 H45 119.5 . . ? C44 C45 C46 121.03(16) . . ? C46 C45 H45 119.5 . . ? C41 C46 H46 120.0 . . ? C45 C46 C41 120.07(17) . . ? C45 C46 H46 120.0 . . ? C44 C47 H47A 109.5 . . ? C44 C47 H47B 109.5 . . ? C44 C47 H47C 109.5 . . ? H47A C47 H47B 109.5 . . ? H47A C47 H47C 109.5 . . ? H47B C47 H47C 109.5 . . ? 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 Mn1 O1 2.1169(10) 2_666 ? Mn1 O1 2.1169(10) . ? Mn1 O2 2.2019(11) . ? Mn1 O2 2.2019(11) 2_666 ? Mn1 N12 2.3510(14) 2_666 ? Mn1 N12 2.3511(14) . ? S2 O2 1.4571(12) . ? S2 O3 1.4344(13) . ? S2 O4 1.4305(13) . ? S2 C14 1.8322(19) . ? P1 O1 1.5038(11) . ? P1 C1 1.8051(17) . ? P1 C31 1.7922(16) . ? P1 C41 1.7942(17) . ? F1 C14 1.326(2) . ? F2 C14 1.326(2) . ? F3 C14 1.329(2) . ? N11 N12 1.3658(19) . ? N11 C7 1.466(2) . ? N11 C11 1.353(2) . ? N12 C13 1.334(2) . ? N21 N22 1.360(2) . ? N21 C7 1.448(2) . ? N21 C21 1.354(2) . ? N22 C23 1.327(2) . ? C1 C2 1.401(2) . ? C1 C6 1.399(2) . ? C2 C3 1.397(2) . ? C2 C7 1.526(2) . ? C3 H3 0.9300 . ? C3 C4 1.389(3) . ? C4 H4 0.9300 . ? C4 C5 1.382(3) . ? C5 H5 0.9300 . ? C5 C6 1.385(3) . ? C6 H6 0.9300 . ? C7 H7 0.9800 . ? C11 H11 0.9300 . ? C11 C12 1.367(3) . ? C12 H12 0.9300 . ? C12 C13 1.396(3) . ? C13 H13 0.9300 . ? C21 H21 0.9300 . ? C21 C22 1.361(3) . ? C22 H22 0.9300 . ? C22 C23 1.393(3) . ? C23 H23 0.9300 . ? C31 C32 1.392(2) . ? C31 C36 1.394(2) . ? C32 H32 0.9300 . ? C32 C33 1.387(3) . ? C33 H33 0.9300 . ? C33 C34 1.392(3) . ? C34 C35 1.390(3) . ? C34 C37 1.509(2) . ? C35 H35 0.9300 . ? C35 C36 1.389(2) . ? C36 H36 0.9300 . ? C37 H37A 0.9600 . ? C37 H37B 0.9600 . ? C37 H37C 0.9600 . ? C41 C42 1.393(2) . ? C41 C46 1.399(2) . ? C42 H42 0.9300 . ? C42 C43 1.385(3) . ? C43 H43 0.9300 . ? C43 C44 1.396(3) . ? C44 C45 1.388(3) . ? C44 C47 1.505(3) . ? C45 H45 0.9300 . ? C45 C46 1.388(3) . ? C46 H46 0.9300 . ? C47 H47A 0.9600 . ? C47 H47B 0.9600 . ? C47 H47C 0.9600 . ? loop_ _geom_torsion_atom_site_label_1 _geom_torsion_atom_site_label_2 _geom_torsion_atom_site_label_3 _geom_torsion_atom_site_label_4 _geom_torsion _geom_torsion_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion_publ_flag Mn1 N12 C13 C12 172.57(12) . . . . ? P1 C1 C2 C3 -176.84(12) . . . . ? P1 C1 C2 C7 -0.6(2) . . . . ? P1 C1 C6 C5 177.44(13) . . . . ? P1 C31 C32 C33 -179.96(14) . . . . ? P1 C31 C36 C35 179.77(13) . . . . ? P1 C41 C42 C43 -177.31(15) . . . . ? P1 C41 C46 C45 177.64(13) . . . . ? O1 P1 C1 C2 53.06(14) . . . . ? O1 P1 C1 C6 -123.94(13) . . . . ? O1 P1 C31 C32 35.77(16) . . . . ? O1 P1 C31 C36 -144.06(14) . . . . ? O1 P1 C41 C42 36.56(16) . . . . ? O1 P1 C41 C46 -141.35(14) . . . . ? O2 S2 C14 F1 56.89(15) . . . . ? O2 S2 C14 F2 -64.07(15) . . . . ? O2 S2 C14 F3 175.90(14) . . . . ? O3 S2 O2 Mn1 -53.02(12) . . . . ? O3 S2 C14 F1 -61.69(15) . . . . ? O3 S2 C14 F2 177.36(13) . . . . ? O3 S2 C14 F3 57.32(16) . . . . ? O4 S2 O2 Mn1 84.35(11) . . . . ? O4 S2 C14 F1 176.69(13) . . . . ? O4 S2 C14 F2 55.73(15) . . . . ? O4 S2 C14 F3 -64.30(16) . . . . ? N11 N12 C13 C12 0.6(2) . . . . ? N11 C11 C12 C13 -1.3(2) . . . . ? N12 N11 C7 N21 -162.81(13) . . . . ? N12 N11 C7 C2 70.68(17) . . . . ? N12 N11 C11 C12 1.8(2) . . . . ? N21 N22 C23 C22 0.7(2) . . . . ? N21 C21 C22 C23 0.4(2) . . . . ? N22 N21 C7 N11 -76.83(19) . . . . ? N22 N21 C7 C2 47.1(2) . . . . ? N22 N21 C21 C22 0.0(2) . . . . ? C1 P1 O1 Mn1 26.42(14) . . . . ? C1 P1 C31 C32 157.66(14) . . . . ? C1 P1 C31 C36 -22.17(16) . . . . ? C1 P1 C41 C42 -86.25(15) . . . . ? C1 P1 C41 C46 95.84(15) . . . . ? C1 C2 C3 C4 -0.5(2) . . . . ? C1 C2 C7 N11 -120.24(15) . . . . ? C1 C2 C7 N21 114.64(16) . . . . ? C2 C1 C6 C5 0.4(2) . . . . ? C2 C3 C4 C5 0.2(3) . . . . ? C3 C2 C7 N11 56.02(18) . . . . ? C3 C2 C7 N21 -69.10(19) . . . . ? C3 C4 C5 C6 0.3(3) . . . . ? C4 C5 C6 C1 -0.7(3) . . . . ? C6 C1 C2 C3 0.2(2) . . . . ? C6 C1 C2 C7 176.45(14) . . . . ? C7 N11 N12 Mn1 27.3(2) . . . . ? C7 N11 N12 C13 -162.16(14) . . . . ? C7 N11 C11 C12 159.83(16) . . . . ? C7 N21 N22 C23 -178.98(16) . . . . ? C7 N21 C21 C22 178.49(16) . . . . ? C7 C2 C3 C4 -176.85(15) . . . . ? C11 N11 N12 Mn1 -172.03(12) . . . . ? C11 N11 N12 C13 -1.52(18) . . . . ? C11 N11 C7 N21 40.2(2) . . . . ? C11 N11 C7 C2 -86.30(19) . . . . ? C11 C12 C13 N12 0.4(2) . . . . ? C14 S2 O2 Mn1 -164.41(10) . . . . ? C21 N21 N22 C23 -0.5(2) . . . . ? C21 N21 C7 N11 104.87(18) . . . . ? C21 N21 C7 C2 -131.15(17) . . . . ? C21 C22 C23 N22 -0.7(2) . . . . ? C31 P1 O1 Mn1 145.73(12) . . . . ? C31 P1 C1 C2 -68.30(14) . . . . ? C31 P1 C1 C6 114.69(13) . . . . ? C31 P1 C41 C42 157.85(14) . . . . ? C31 P1 C41 C46 -20.05(16) . . . . ? C31 C32 C33 C34 0.5(3) . . . . ? C32 C31 C36 C35 -0.1(3) . . . . ? C32 C33 C34 C35 -0.6(3) . . . . ? C32 C33 C34 C37 177.20(18) . . . . ? C33 C34 C35 C36 0.4(3) . . . . ? C34 C35 C36 C31 -0.1(3) . . . . ? C36 C31 C32 C33 -0.1(3) . . . . ? C37 C34 C35 C36 -177.39(17) . . . . ? C41 P1 O1 Mn1 -94.68(13) . . . . ? C41 P1 C1 C2 175.38(12) . . . . ? C41 P1 C1 C6 -1.63(15) . . . . ? C41 P1 C31 C32 -85.52(15) . . . . ? C41 P1 C31 C36 94.65(15) . . . . ? C41 C42 C43 C44 -0.2(3) . . . . ? C42 C41 C46 C45 -0.2(3) . . . . ? C42 C43 C44 C45 -0.6(3) . . . . ? C42 C43 C44 C47 177.91(19) . . . . ? C43 C44 C45 C46 1.0(3) . . . . ? C44 C45 C46 C41 -0.6(3) . . . . ? C46 C41 C42 C43 0.7(3) . . . . ? C47 C44 C45 C46 -177.48(18) . . . . ? loop_ _exptl_oxdiff_crystal_face_indexfrac_h _exptl_oxdiff_crystal_face_indexfrac_k _exptl_oxdiff_crystal_face_indexfrac_l _exptl_oxdiff_crystal_face_x _exptl_oxdiff_crystal_face_y _exptl_oxdiff_crystal_face_z -0.0000 1.0000 8.0000 -0.6874 0.7228 0.0410 0.0000 -1.0000 -8.0000 0.6874 -0.7228 -0.0410 0.0000 -8.0000 -2.0000 -0.7147 -0.5525 -0.3491 -0.0000 8.0000 2.0000 0.7147 0.5525 0.3491 6.0000 0.0000 1.0000 -0.2875 -0.2521 0.9099 -6.0000 -0.0000 -1.0000 0.2875 0.2521 -0.9099