#------------------------------------------------------------------------------ #$Date: 2024-06-13 05:30:55 +0300 (Thu, 13 Jun 2024) $ #$Revision: 292346 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/57/18/1571826.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/. The original data for this entry # were provided by IUCr Journals, http://journals.iucr.org/. # # The file may be used within the scientific community so long as # proper attribution is given to the journal article from which the # data were obtained. # data_1571826 loop_ _publ_author_name 'Carroll, Robert C.' 'Coles, Simon J.' _publ_section_title ; Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes. ; _journal_coeditor_code LT5068 _journal_issue 4 _journal_name_full IUCrJ _journal_paper_doi 10.1107/S2052252524004871 _journal_volume 11 _journal_year 2024 _chemical_formula_moiety 'C36 H24 I6 N12 Zn3, 0.289(C6 H12)' _chemical_formula_sum 'C37.73 H27.46 I6 N12 Zn3' _chemical_formula_weight 1606.46 _chemical_name_systematic ;catena-[bis(mu-2,4,6-tri(pyridin-4-yl)-1,3,5-triazine)-hexaiodo-tri-zinc cyclohexane solvate ; _space_group_crystal_system monoclinic _space_group_IT_number 15 _space_group_name_Hall '-C 2yc' _space_group_name_H-M_alt 'C 1 2/c 1' _atom_sites_solution_hydrogens geom _atom_sites_solution_primary dual _audit_creation_date 2024-02-06 _audit_creation_method ; Olex2 1.5-alpha (compiled 2024.01.24 svn.r2f8d729c for OlexSys, GUI svn.r6923) ; _cell_angle_alpha 90 _cell_angle_beta 100.996(4) _cell_angle_gamma 90 _cell_formula_units_Z 8 _cell_length_a 34.4432(11) _cell_length_b 15.0627(4) _cell_length_c 30.2136(14) _cell_measurement_reflns_used 13332 _cell_measurement_temperature 100.00(10) _cell_measurement_theta_max 65.2070 _cell_measurement_theta_min 2.5880 _cell_volume 15387.3(10) _computing_cell_refinement 'CrysAlisPro 1.171.42.72a (Rigaku OD, 2022)' _computing_data_collection 'CrysAlisPro 1.171.42.72a (Rigaku OD, 2022)' _computing_data_reduction 'CrysAlisPro 1.171.42.72a (Rigaku OD, 2022)' _computing_molecular_graphics 'Olex2 1.5-alpha (Dolomanov et al., 2009)' _computing_publication_material 'Olex2 1.5-alpha (Dolomanov et al., 2009)' _computing_structure_refinement 'SHELXL 2016/6 (Sheldrick, 2015)' _computing_structure_solution 'SHELXT 2014/5 (Sheldrick, 2014)' _diffrn_ambient_environment N~2~ _diffrn_ambient_temperature 100.00(10) _diffrn_detector 'hybrid pixel array detector' _diffrn_detector_area_resol_mean 10 _diffrn_detector_dtime 0.000 _diffrn_detector_type 'Rigaku, HyPix Arc-100' _diffrn_measured_fraction_theta_full 0.987 _diffrn_measured_fraction_theta_max 0.984 _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 17.00 48.00 0.50 1.40 -- 83.39 -42.00 -24.00 62 2 \w 123.00 153.00 0.50 1.40 -- 83.39 42.00 127.00 60 3 \w 76.00 103.00 0.50 1.40 -- 83.39 42.00 127.00 54 4 \w 54.00 96.00 0.50 1.40 -- 83.39 -77.00 150.00 84 5 \w 15.00 44.00 0.50 1.40 -- 83.39 -37.00 0.00 58 6 \w 69.00 99.00 0.50 1.40 -- 83.39 77.00-150.00 60 7 \w 19.00 45.00 0.50 1.40 -- 83.39 -57.00-120.00 52 8 \w 103.00 138.00 0.50 1.40 -- 83.39 77.00 150.00 70 9 \w 25.00 52.00 0.50 1.40 -- 83.39 -77.00 150.00 54 10 \w 121.00 150.00 0.50 1.40 -- 83.39 19.00-150.00 58 11 \w 13.00 41.00 0.50 1.40 -- 83.39 -37.00-120.00 56 12 \w 75.00 103.00 0.50 1.40 -- 83.39 57.00-150.00 56 13 \w 83.00 119.00 0.50 1.40 -- 83.39 19.00-150.00 72 14 \w 86.00 147.00 0.50 1.40 -- 83.39 125.00 0.00 122 15 \w 106.00 133.00 0.50 1.40 -- 83.39 57.00-150.00 54 16 \w 15.00 40.00 0.50 1.40 -- 83.39 -37.00 60.00 50 17 \w 13.00 44.00 0.50 1.40 -- 83.39 -37.00 90.00 62 18 \w 69.00 97.00 0.50 1.40 -- 83.39 77.00 150.00 56 19 \w 39.00 66.00 0.50 1.40 -- 83.39 -57.00 90.00 54 20 \w 119.00 144.00 0.50 1.40 -- 83.39 77.00-150.00 50 21 \w 97.00 123.00 0.50 1.40 -- 83.39 57.00-120.00 52 22 \w 21.00 47.00 0.50 1.40 -- 83.39 -57.00 150.00 52 23 \w -150.00 -72.00 0.50 1.40 -- -79.34 -42.00 -24.00 156 24 \w -44.00 -18.00 0.50 1.40 -- -79.34 42.00 127.00 52 25 \w -105.00 -18.00 0.50 1.40 -- -79.34 125.00 150.00 174 26 \w -39.00 -8.00 0.50 1.40 -- -79.34 37.00 90.00 62 27 \w -125.00 -48.00 0.50 0.60 -- -55.07 -42.00 -24.00 154 28 \w -45.00 15.00 0.50 0.60 -- -55.07 42.00 127.00 120 29 \w -23.00 14.00 0.50 0.60 -- -55.07 19.00-180.00 74 30 \w -23.00 13.00 0.50 0.60 -- -55.07 19.00-120.00 72 31 \w -22.00 10.00 0.50 0.60 -- -55.07 19.00 -60.00 64 32 \w -19.00 49.00 0.50 0.60 -- 51.57 -42.00 -24.00 136 33 \w 60.00 85.00 0.50 0.60 -- 51.57 42.00 127.00 50 ; _diffrn_measurement_device 'four-circle diffractometer' _diffrn_measurement_device_details 'Rigaku, UG2 \k goniometer' _diffrn_measurement_device_type ; Rigaku 007HF diffractometer equipped with Arc)Sec VHF Varimax confocal mirrors and a UG2 goniometer and HyPix Arc-100 detector ; _diffrn_measurement_method 'profile data from \w-scans' _diffrn_measurement_specimen_support 'MiTeGen loops' _diffrn_orient_matrix_type 'CrysAlisPro convention (1999,Acta A55,543-557)' _diffrn_orient_matrix_UB_11 0.0105960000 _diffrn_orient_matrix_UB_12 -0.0341569000 _diffrn_orient_matrix_UB_13 0.0488967000 _diffrn_orient_matrix_UB_21 0.0380683000 _diffrn_orient_matrix_UB_22 -0.0421747000 _diffrn_orient_matrix_UB_23 -0.0102567000 _diffrn_orient_matrix_UB_31 0.0226625000 _diffrn_orient_matrix_UB_32 0.0866657000 _diffrn_orient_matrix_UB_33 0.0142769000 _diffrn_radiation_collimation 0.3 _diffrn_radiation_monochromator 'Arc)Sec VHF Varimax focusing mirrors' _diffrn_radiation_probe x-ray _diffrn_radiation_type 'Cu K\a' _diffrn_radiation_wavelength 1.54184 _diffrn_reflns_av_R_equivalents 0.0416 _diffrn_reflns_av_unetI/netI 0.0282 _diffrn_reflns_Laue_measured_fraction_full 0.987 _diffrn_reflns_Laue_measured_fraction_max 0.984 _diffrn_reflns_limit_h_max 41 _diffrn_reflns_limit_h_min -41 _diffrn_reflns_limit_k_max 17 _diffrn_reflns_limit_k_min -17 _diffrn_reflns_limit_l_max 35 _diffrn_reflns_limit_l_min -35 _diffrn_reflns_number 66878 _diffrn_reflns_point_group_measured_fraction_full 0.987 _diffrn_reflns_point_group_measured_fraction_max 0.984 _diffrn_reflns_theta_full 67.684 _diffrn_reflns_theta_max 68.251 _diffrn_reflns_theta_min 2.614 _diffrn_source 'Rotating anode' _diffrn_source_current 30.0 _diffrn_source_power 1.2 _diffrn_source_target Cu _diffrn_source_type 'Rigaku 007 HF' _diffrn_source_voltage 40.0 _exptl_absorpt_coefficient_mu 20.201 _exptl_absorpt_correction_T_max 0.475 _exptl_absorpt_correction_T_min 0.056 _exptl_absorpt_correction_type gaussian _exptl_absorpt_process_details ; CrysAlisPro 1.171.42.72a (Rigaku Oxford Diffraction, 2022) 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 1.387 _exptl_crystal_description block _exptl_crystal_F_000 5967 _exptl_crystal_size_max 0.22 _exptl_crystal_size_mid 0.16 _exptl_crystal_size_min 0.07 _refine_diff_density_max 1.425 _refine_diff_density_min -1.178 _refine_diff_density_rms 0.216 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.047 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 668 _refine_ls_number_reflns 13871 _refine_ls_number_restraints 139 _refine_ls_restrained_S_all 1.050 _refine_ls_R_factor_all 0.1114 _refine_ls_R_factor_gt 0.0902 _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^)+(0.1591P)^2^+158.7637P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.2797 _refine_ls_wR_factor_ref 0.2970 _reflns_Friedel_coverage 0.000 _reflns_number_gt 9808 _reflns_number_total 13871 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file lt5068.cif _cod_data_source_block 4_1_96b _cod_database_code 1571826 _shelx_shelxl_version_number 2016/6 _chemical_oxdiff_formula '(Zn3 I6 N12 H24 C36) (C15 H16 O3)2 (C6 H12)2' _chemical_oxdiff_usercomment 9300-04 _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 0.332 _shelx_estimated_absorpt_t_min 0.095 _olex2_refinement_description ; 1. Fixed Uiso At 1.2 times of: All C(H) groups, All C(H,H) groups 2. Restrained distances C2-C3 = C2-C7 = C3-C4 = C4-C5 = C5-C6 = C6-C7 1.54 with sigma of 0.02 C2-C4 = C2-C6 = C3-C5 = C4-C6 = C5-C7 2.54 with sigma of 0.04 I402-Zn41 \\sim I302-Zn31 with sigma of 0.02 I401-Zn41 \\sim I301-Zn31 with sigma of 0.02 Zn41-N301 \\sim Zn31-N301 with sigma of 0.02 I402-I401 \\sim I302-I301 with sigma of 0.04 I402-N301 \\sim I302-N301 with sigma of 0.04 I401-N301 \\sim I301-N301 with sigma of 0.04 I403-Zn42 \\sim I303-Zn32 with sigma of 0.02 I404-Zn42 \\sim I304-Zn32 with sigma of 0.02 Zn42-N306 \\sim Zn32-N306 with sigma of 0.02 Zn42-N307 \\sim Zn32-N307 with sigma of 0.02 I403-I404 \\sim I303-I304 with sigma of 0.04 I403-N306 \\sim I303-N306 with sigma of 0.04 I403-N307 \\sim I303-N307 with sigma of 0.04 I404-N306 \\sim I304-N306 with sigma of 0.04 I404-N307 \\sim I304-N307 with sigma of 0.04 I306-Zn33 \\sim I406-Zn43 with sigma of 0.02 I305-Zn33 \\sim I405-Zn43 with sigma of 0.02 Zn33-N312 \\sim Zn43-N312 with sigma of 0.02 I306-I305 \\sim I406-I405 with sigma of 0.04 I306-N312 \\sim I406-N312 with sigma of 0.04 I305-N312 \\sim I405-N312 with sigma of 0.04 C2-C3 \\sim C3-C4 \\sim C4-C5 \\sim C5-C6 \\sim C6-C7 \\sim C7-C2 with sigma of 0.02 C2-C6 \\sim C4-C6 \\sim C3-C7 \\sim C3-C5 \\sim C5-C7 \\sim C2-C4 with sigma of 0.04 I503-Zn52 \\sim I404-Zn42 with sigma of 0.02 I504-Zn52 \\sim I304-Zn32 with sigma of 0.02 3. Uiso/Uaniso restraints and constraints C2 \\sim C3 \\sim C4 \\sim C5 \\sim C6 \\sim C7: within 2A with sigma of 0.04 and sigma for terminal atoms of 0.08 within 2A 4. Rigid body (RIGU) restrains C2, C3, C4, C5, C6, C7 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004 5. Others Sof(I406)=Sof(Zn43)=Sof(I405)=1-FVAR(1) Sof(I306)=Sof(I305)=Sof(Zn33)=FVAR(1) Fixed Sof: I402(0.465) I403(0.39893) I401(0.465) I404(0.39893) Zn41(0.465) Zn42(0.39893) I302(0.48184) Zn31(0.48184) I301(0.48184) I304(0.5661) Zn32(0.5661) I303(0.5661) I504(0.03498) I503(0.03498) Zn52(0.03498) I502(0.05316) Zn51(0.05316) I501(0.05316) C2(0.28851) H2A(0.28851) H2B(0.28851) C3(0.28851) H3A(0.28851) H3B(0.28851) C4(0.28851) H4A(0.28851) H4B(0.28851) C5(0.28851) H5A(0.28851) H5B(0.28851) C6(0.28851) H6A(0.28851) H6B(0.28851) C7(0.28851) H7A(0.28851) H7B(0.28851) Fixed Uiso: I504(0.08) I503(0.08) Zn52(0.08) I502(0.08) Zn51(0.08) I501(0.08) 6.a Secondary CH2 refined with riding coordinates: C2(H2A,H2B), C3(H3A,H3B), C4(H4A,H4B), C5(H5A,H5B), C6(H6A,H6B), C7(H7A,H7B) 6.b Aromatic/amide H refined with riding coordinates: C336(H336), C335(H335), C311(H311), C331(H331), C310(H310), C304(H304), C330(H330), C302(H302), C332(H332), C333(H333), C305(H305), C301(H301), C320(H320), C329(H329), C315(H315), C318(H318), C313(H313), C314(H314), C312(H312), C322(H322), C317(H317), C328(H328), C323(H323), C319(H319) ; _shelx_res_file ; TITL 2024ncs7004a_rc1_a.res in C2/c 2024ncs7004a_rc1.res created by SHELXL-2016/6 at 13:30:28 on 06-Feb-2024 REM Old TITL 2024NCS7004a_RC1 in C2/c REM SHELXT solution in C2/c REM R1 0.414, Rweak 0.107, Alpha 0.085, Orientation as input REM Formula found by SHELXT: C39 N9 Zn7 I504 CELL 1.54184 34.4432 15.0627 30.2136 90 100.996 90 ZERR 8 0.0011 0.0004 0.0014 0 0.004 0 LATT 7 SYMM -X,+Y,0.5-Z SFAC C H I N Zn UNIT 301.85 219.7 48 96 24 SADI I402 Zn41 I302 Zn31 SADI I401 Zn41 I301 Zn31 SADI Zn41 N301 Zn31 N301 SADI 0.04 I402 I401 I302 I301 SADI 0.04 I402 N301 I302 N301 SADI 0.04 I401 N301 I301 N301 SADI I403 Zn42 I303 Zn32 SADI I404 Zn42 I304 Zn32 SADI Zn42 N306 Zn32 N306 SADI Zn42 N307 Zn32 N307 SADI 0.04 I403 I404 I303 I304 SADI 0.04 I403 N306 I303 N306 SADI 0.04 I403 N307 I303 N307 SADI 0.04 I404 N306 I304 N306 SADI 0.04 I404 N307 I304 N307 SADI I306 Zn33 I406 Zn43 SADI I305 Zn33 I405 Zn43 SADI Zn33 N312 Zn43 N312 SADI 0.04 I306 I305 I406 I405 SADI 0.04 I306 N312 I406 N312 SADI 0.04 I305 N312 I405 N312 DFIX 1.54 C2 C3 C2 C7 C3 C4 C4 C5 C5 C6 C6 C7 DANG 2.54 C2 C4 C2 C6 C3 C5 C4 C6 C5 C7 SADI C2 C3 C3 C4 C4 C5 C5 C6 C6 C7 C7 C2 SADI 0.04 C2 C6 C4 C6 C3 C7 C3 C5 C5 C7 C2 C4 SIMU C2 C3 C4 C5 C6 C7 RIGU C2 C3 C4 C5 C6 C7 SADI I503 Zn52 I404 Zn42 SADI I504 Zn52 I304 Zn32 L.S. 10 0 0 PLAN 65 SIZE 0.07 0.16 0.22 TEMP -173 CONF FREE Zn52 C323 BOND $H list 4 MORE -1 fmap 2 53 acta OMIT -7 1 5 OMIT -5 1 2 OMIT -3 1 1 OMIT -1 1 5 OMIT 0 0 6 OMIT 1 3 0 REM REM REM WGHT 0.159100 158.763702 FVAR 0.07105 0.68740 PART 1 I306 3 0.384262 1.240441 0.442032 21.00000 0.08589 0.04069 = 0.12198 0.00494 -0.00794 0.00516 I305 3 0.475690 1.150578 0.363169 21.00000 0.07279 0.08362 = 0.07594 -0.00471 -0.00238 -0.01684 I402 3 0.119146 -0.235713 0.575047 10.46500 0.10653 0.05320 = 0.19889 -0.00869 -0.09767 0.00031 I403 3 0.375780 0.656697 0.807869 10.39893 0.14210 0.04704 = 0.10061 -0.00615 -0.00769 -0.00846 I401 3 0.159875 -0.054603 0.471705 10.46500 0.06997 0.19332 = 0.13959 -0.08111 -0.01915 0.00959 ZN33 5 0.420606 1.122961 0.406161 21.00000 0.05916 0.05600 = 0.06714 0.00528 -0.01249 -0.00086 I404 3 0.270528 0.734688 0.709227 10.39893 0.10170 0.04379 = 0.14975 0.01748 0.02612 0.01310 ZN41 5 0.135167 -0.086554 0.542923 10.46500 0.06715 0.07552 = 0.13687 -0.03239 -0.05293 0.01599 ZN42 5 0.330783 0.637728 0.731729 10.39893 0.09059 0.03009 = 0.09750 0.00582 0.00211 -0.00609 PART 0 N303 4 0.280816 0.052250 0.725139 11.00000 0.06372 0.02688 = 0.09936 -0.00307 -0.02083 0.00619 N305 4 0.379109 -0.049724 0.860120 11.00000 0.05989 0.04664 = 0.09142 -0.00976 -0.01600 0.00595 N304 4 0.318377 0.179560 0.750507 11.00000 0.06504 0.02501 = 0.11254 -0.00821 -0.02027 0.00515 N308 4 0.429318 0.777099 0.561156 11.00000 0.07179 0.05627 = 0.08150 0.00527 -0.01549 0.00149 N310 4 0.481940 0.731658 0.525757 11.00000 0.07239 0.04333 = 0.08448 0.00393 -0.02557 0.01004 N312 4 0.437221 1.023692 0.452944 11.00000 0.06626 0.06201 = 0.07766 0.00540 -0.00716 0.00570 N302 4 0.266699 0.189963 0.686267 11.00000 0.07445 0.04084 = 0.09659 0.00436 -0.01547 0.01350 N309 4 0.463669 0.645352 0.583895 11.00000 0.07915 0.04670 = 0.09432 0.00344 -0.02283 -0.00178 N311 4 0.582704 0.488224 0.547649 11.00000 0.08455 0.06101 = 0.11729 -0.01156 -0.04030 0.01059 C327 1 0.518692 0.599973 0.551281 11.00000 0.06110 0.03702 = 0.09789 0.00115 -0.02177 0.00284 C334 1 0.449567 0.871139 0.504890 11.00000 0.06889 0.04197 = 0.07016 0.00586 -0.01492 0.00499 C307 1 0.309808 0.093987 0.753597 11.00000 0.06109 0.03025 = 0.09970 -0.00024 -0.01560 0.00713 C336 1 0.466831 0.965899 0.449483 11.00000 0.05765 0.05455 = 0.08597 0.00690 -0.01219 0.00557 AFIX 43 H336 2 0.483435 0.978667 0.428539 11.00000 -1.20000 AFIX 0 N306 4 0.313644 0.502795 0.720634 11.00000 0.12787 0.03188 = 0.17551 -0.00681 0.03655 -0.01427 C308 1 0.295630 0.225412 0.716515 11.00000 0.06573 0.03702 = 0.10433 0.00179 -0.00932 0.00418 C326 1 0.454005 0.787557 0.532242 11.00000 0.07646 0.04990 = 0.07787 0.01189 -0.01968 0.00469 N301 4 0.172292 -0.029967 0.598172 11.00000 0.07740 0.05000 = 0.13980 -0.02236 -0.05110 0.01629 C335 1 0.473819 0.889984 0.474862 11.00000 0.06910 0.04897 = 0.08557 -0.00099 -0.02716 0.01013 AFIX 43 H335 2 0.494929 0.851332 0.471755 11.00000 -1.20000 AFIX 0 C311 1 0.350647 -0.089165 0.831533 11.00000 0.07602 0.04475 = 0.10040 -0.00346 -0.02820 -0.00168 AFIX 43 H311 2 0.346381 -0.150714 0.835534 11.00000 -1.20000 AFIX 0 C325 1 0.486350 0.660975 0.552946 11.00000 0.06865 0.04475 = 0.08222 0.00094 -0.02104 0.00596 C303 1 0.231252 0.056742 0.658707 11.00000 0.05762 0.04782 = 0.10109 -0.00739 -0.01960 0.01294 C306 1 0.260325 0.101368 0.692110 11.00000 0.06415 0.02875 = 0.10010 -0.00451 -0.01999 0.00906 C309 1 0.333539 0.043679 0.791224 11.00000 0.06056 0.02726 = 0.09434 -0.00236 -0.01890 0.00885 C331 1 0.535748 0.593021 0.513288 11.00000 0.07716 0.06473 = 0.09916 0.00912 -0.02275 0.01386 AFIX 43 H331 2 0.525556 0.627572 0.487368 11.00000 -1.20000 AFIX 0 C324 1 0.435722 0.703301 0.585703 11.00000 0.07606 0.04118 = 0.08960 0.00503 -0.01836 -0.00159 C321 1 0.409791 0.688320 0.618056 11.00000 0.07596 0.05456 = 0.09987 -0.00156 -0.00980 -0.00295 N307 4 0.359635 0.657066 0.678673 11.00000 0.16570 0.03881 = 0.17515 -0.00134 0.09429 -0.01435 C316 1 0.301825 0.321591 0.717094 11.00000 0.08651 0.03884 = 0.12406 0.00142 -0.00469 0.00241 C310 1 0.327060 -0.047060 0.796704 11.00000 0.08116 0.04430 = 0.10827 0.00262 -0.03614 -0.00597 AFIX 43 H310 2 0.306902 -0.078039 0.776787 11.00000 -1.20000 AFIX 0 C304 1 0.207454 0.101174 0.623205 11.00000 0.09141 0.03705 = 0.11700 -0.00298 -0.03258 0.00320 AFIX 43 H304 2 0.211036 0.162946 0.619065 11.00000 -1.20000 AFIX 0 C330 1 0.567261 0.536736 0.512584 11.00000 0.06699 0.05933 = 0.11622 0.00799 -0.01219 0.00590 AFIX 43 H330 2 0.578079 0.532998 0.485978 11.00000 -1.20000 AFIX 0 C302 1 0.223012 -0.032520 0.662803 11.00000 0.08234 0.03963 = 0.14304 -0.00970 -0.05434 0.01378 AFIX 43 H302 2 0.237639 -0.066437 0.686836 11.00000 -1.20000 AFIX 0 C332 1 0.416435 1.007640 0.482735 11.00000 0.11007 0.05874 = 0.12763 0.01722 0.01930 0.03968 AFIX 43 H332 2 0.397001 1.049835 0.487061 11.00000 -1.20000 AFIX 0 C333 1 0.420887 0.930243 0.509604 11.00000 0.11349 0.09255 = 0.09977 0.02973 0.01455 0.04226 AFIX 43 H333 2 0.404098 0.919725 0.530615 11.00000 -1.20000 AFIX 0 C305 1 0.178845 0.055755 0.594216 11.00000 0.10111 0.05622 = 0.11005 -0.01698 -0.05071 0.02743 AFIX 43 H305 2 0.162991 0.087410 0.570158 11.00000 -1.20000 AFIX 0 C301 1 0.193878 -0.071369 0.632247 11.00000 0.10171 0.04854 = 0.17125 -0.01140 -0.07703 0.00902 AFIX 43 H301 2 0.188868 -0.132695 0.635897 11.00000 -1.20000 AFIX 0 C320 1 0.417055 0.623469 0.651599 11.00000 0.12754 0.07750 = 0.14943 0.02515 0.03745 0.02090 AFIX 43 H320 2 0.440380 0.588518 0.654734 11.00000 -1.20000 AFIX 0 C329 1 0.568296 0.497452 0.585117 11.00000 0.12296 0.12571 = 0.13651 0.04630 -0.02447 0.06585 AFIX 43 H329 2 0.580663 0.465593 0.611148 11.00000 -1.20000 AFIX 0 C315 1 0.278594 0.378034 0.688177 11.00000 0.12172 0.03505 = 0.17808 0.02025 -0.03926 0.01430 AFIX 43 H315 2 0.257586 0.355412 0.666038 11.00000 -1.20000 AFIX 0 C318 1 0.337073 0.450769 0.747208 11.00000 0.19378 0.04013 = 0.18941 0.00654 -0.02605 -0.01729 AFIX 43 H318 2 0.359717 0.474732 0.766408 11.00000 -1.20000 AFIX 0 C313 1 0.361025 0.085997 0.822129 11.00000 0.10767 0.05214 = 0.13779 -0.00639 -0.06527 0.00152 AFIX 43 H313 2 0.365267 0.148055 0.820066 11.00000 -1.20000 AFIX 0 C314 1 0.285816 0.468913 0.691262 11.00000 0.14012 0.04014 = 0.20931 0.02369 -0.00884 0.02234 AFIX 43 H314 2 0.269472 0.507374 0.670783 11.00000 -1.20000 AFIX 0 C312 1 0.382453 0.037023 0.856310 11.00000 0.11269 0.04019 = 0.13321 -0.00231 -0.07167 -0.00042 AFIX 43 H312 2 0.400865 0.067244 0.878675 11.00000 -1.20000 AFIX 0 C322 1 0.374062 0.731133 0.614659 11.00000 0.19505 0.06759 = 0.16557 0.03360 0.07586 0.04303 AFIX 43 H322 2 0.366128 0.771850 0.590623 11.00000 -1.20000 AFIX 0 C317 1 0.329815 0.361782 0.748154 11.00000 0.16444 0.04380 = 0.15357 0.00984 -0.04414 -0.03265 AFIX 43 H317 2 0.344933 0.326848 0.771419 11.00000 -1.20000 AFIX 0 C328 1 0.536605 0.550309 0.588380 11.00000 0.12078 0.12121 = 0.10954 0.04266 0.00460 0.05652 AFIX 43 H328 2 0.526943 0.553012 0.615774 11.00000 -1.20000 AFIX 0 C323 1 0.350320 0.717566 0.643742 11.00000 0.13800 0.05876 = 0.19646 0.01946 0.07029 0.01411 AFIX 43 H323 2 0.326328 0.750138 0.640549 11.00000 -1.20000 AFIX 0 C319 1 0.391353 0.609457 0.679843 11.00000 0.13126 0.09382 = 0.16639 0.04192 0.05533 0.00168 AFIX 43 H319 2 0.396753 0.562930 0.701366 11.00000 -1.20000 AFIX 0 PART 2 I302 3 0.112463 -0.242597 0.589702 10.48184 0.14432 0.03596 = 0.28187 -0.00735 -0.07574 -0.00661 ZN31 5 0.128150 -0.096990 0.553138 10.48184 0.06877 0.05271 = 0.13915 -0.03305 -0.03681 0.02114 I301 3 0.149495 -0.082700 0.477803 10.48184 0.07276 0.23936 = 0.15979 -0.11823 -0.02313 0.01342 I304 3 0.253338 0.719025 0.683793 10.56610 0.18662 0.05523 = 0.37891 0.07920 0.16537 0.05436 ZN32 5 0.316621 0.642415 0.717091 10.56610 0.18701 0.02804 = 0.22715 0.00036 0.10371 -0.00715 I303 3 0.356675 0.675375 0.796724 10.56610 0.39426 0.10785 = 0.20044 -0.07474 0.16372 -0.13595 I406 3 0.377937 1.225533 0.446365 -21.00000 0.16004 0.03898 = 0.09249 0.00446 0.00418 0.01978 ZN43 5 0.418833 1.122315 0.406223 -21.00000 0.12495 0.01933 = 0.13397 0.00102 -0.07085 -0.00872 I405 3 0.477803 1.149455 0.369307 -21.00000 0.18008 0.11415 = 0.15231 0.02972 -0.05859 -0.09413 PART 3 I504 3 0.239181 0.694267 0.646114 10.03498 10.08000 I503 3 0.342554 0.706301 0.763325 10.03498 10.08000 ZN52 5 0.306094 0.647560 0.688784 10.03498 10.08000 I502 3 0.097223 -0.231286 0.603227 10.05316 10.08000 ZN51 5 0.120646 -0.101211 0.570108 10.05316 10.08000 I501 3 0.150662 -0.089343 0.495886 10.05316 10.08000 PART 0 C2 1 0.374318 0.004355 0.665845 10.28851 0.17469 0.12406 = 0.19478 0.01061 0.09435 0.00526 AFIX 23 H2A 2 0.374275 0.060404 0.682949 10.28851 -1.20000 H2B 2 0.352591 0.007468 0.639210 10.28851 -1.20000 AFIX 0 C3 1 0.413887 -0.004851 0.650020 10.28851 0.19177 0.10553 = 0.19331 0.00756 0.11283 0.01409 AFIX 23 H3A 2 0.418198 0.047426 0.631692 10.28851 -1.20000 H3B 2 0.413496 -0.058574 0.631063 10.28851 -1.20000 AFIX 0 C4 1 0.447588 -0.011874 0.691483 10.28851 0.17642 0.10787 = 0.20342 -0.01725 0.11546 0.03132 AFIX 23 H4A 2 0.473446 -0.013860 0.681766 10.28851 -1.20000 H4B 2 0.447305 0.040549 0.711183 10.28851 -1.20000 AFIX 0 C5 1 0.441592 -0.096891 0.717340 10.28851 0.19579 0.11932 = 0.17626 -0.00895 0.10173 0.03353 AFIX 23 H5A 2 0.442583 -0.149051 0.697650 10.28851 -1.20000 H5B 2 0.463256 -0.102721 0.743903 10.28851 -1.20000 AFIX 0 C6 1 0.401889 -0.095207 0.732858 10.28851 0.18731 0.11319 = 0.15460 -0.01835 0.08600 0.00924 AFIX 23 H6A 2 0.397359 -0.153962 0.745655 10.28851 -1.20000 H6B 2 0.403224 -0.050705 0.757215 10.28851 -1.20000 AFIX 0 C7 1 0.366923 -0.073304 0.695566 10.28851 0.17774 0.08473 = 0.13355 -0.04082 0.09030 -0.00499 AFIX 23 H7A 2 0.343789 -0.059239 0.709359 10.28851 -1.20000 H7B 2 0.360223 -0.126474 0.676366 10.28851 -1.20000 AFIX 0 HKLF 4 REM 2024ncs7004a_rc1_a.res in C2/c REM R1 = 0.0902 for 9808 Fo > 4sig(Fo) and 0.1114 for all 13871 data REM 668 parameters refined using 139 restraints END WGHT 0.1590 158.8170 REM Highest difference peak 1.425, deepest hole -1.178, 1-sigma level 0.216 Q1 1 0.4869 0.5222 0.7610 11.00000 0.05 1.43 Q2 1 0.5136 0.6768 0.7350 11.00000 0.05 1.20 Q3 1 0.5224 0.5877 0.7233 11.00000 0.05 1.18 Q4 1 0.4017 1.2393 0.4144 11.00000 0.05 1.04 Q5 1 0.2012 0.5473 0.5534 11.00000 0.05 1.04 Q6 1 0.4418 0.2501 0.7795 11.00000 0.05 0.96 Q7 1 0.3830 0.3723 0.6401 11.00000 0.05 0.90 Q8 1 0.2867 0.8397 0.4981 11.00000 0.05 0.85 Q9 1 0.4349 0.3132 0.7660 11.00000 0.05 0.85 Q10 1 0.3752 0.2118 0.5859 11.00000 0.05 0.83 Q11 1 0.4519 0.4071 0.7631 11.00000 0.05 0.82 Q12 1 0.4496 0.4058 0.7519 11.00000 0.05 0.81 Q13 1 0.4656 0.4760 0.7793 11.00000 0.05 0.81 Q14 1 0.2984 1.0217 0.4403 11.00000 0.05 0.79 Q15 1 0.5043 0.6905 0.3768 11.00000 0.05 0.78 Q16 1 0.3585 0.2604 0.6264 11.00000 0.05 0.78 Q17 1 0.5237 0.3870 0.6752 11.00000 0.05 0.77 Q18 1 0.5550 0.3551 0.6827 11.00000 0.05 0.76 Q19 1 0.4628 0.1624 0.7885 11.00000 0.05 0.75 Q20 1 0.2639 0.2955 0.5372 11.00000 0.05 0.74 Q21 1 0.4220 0.4256 0.6952 11.00000 0.05 0.72 Q22 1 0.4153 -0.1055 0.7014 11.00000 0.05 0.71 Q23 1 0.2837 0.8914 0.5427 11.00000 0.05 0.71 Q24 1 0.3756 -0.0570 0.6795 11.00000 0.05 0.70 Q25 1 0.4174 0.2582 0.5853 11.00000 0.05 0.69 Q26 1 0.4531 -0.0246 0.7246 11.00000 0.05 0.68 Q27 1 0.3654 -0.0393 0.6680 11.00000 0.05 0.68 Q28 1 0.2215 0.1855 0.5047 11.00000 0.05 0.67 Q29 1 0.5805 0.6983 0.4147 11.00000 0.05 0.66 Q30 1 0.4590 1.1447 0.3183 11.00000 0.05 0.66 Q31 1 0.3186 0.7062 0.7631 11.00000 0.05 0.66 Q32 1 0.3116 1.0001 0.5145 11.00000 0.05 0.64 Q33 1 0.2602 0.2219 0.5369 11.00000 0.05 0.63 Q34 1 0.3537 1.2226 0.4659 11.00000 0.05 0.62 Q35 1 0.2981 -0.0644 0.5783 11.00000 0.05 0.61 Q36 1 0.6170 0.7097 0.4226 11.00000 0.05 0.61 Q37 1 0.4333 0.2004 0.5848 11.00000 0.05 0.61 Q38 1 0.2819 -0.0244 0.5421 11.00000 0.05 0.59 Q39 1 0.1572 -0.0826 0.5198 11.00000 0.05 0.59 Q40 1 0.4979 0.8359 0.3636 11.00000 0.05 0.58 Q41 1 0.4941 1.1446 0.4044 11.00000 0.05 0.57 Q42 1 0.4944 0.4368 0.6656 11.00000 0.05 0.57 Q43 1 0.3952 0.0462 0.7010 11.00000 0.05 0.56 Q44 1 0.0314 -0.2840 0.6652 11.00000 0.05 0.54 Q45 1 0.1398 -0.2366 0.5440 11.00000 0.05 0.53 Q46 1 0.4365 0.0262 0.6757 11.00000 0.05 0.53 Q47 1 0.3023 -0.0073 0.5530 11.00000 0.05 0.48 Q48 1 0.5016 1.1583 0.3394 11.00000 0.05 0.47 Q49 1 0.4427 0.1263 0.5943 11.00000 0.05 0.46 Q50 1 0.3639 0.7113 0.7644 11.00000 0.05 0.45 Q51 1 0.5201 0.5195 0.5627 11.00000 0.05 0.45 Q52 1 0.0956 -0.2441 0.5368 11.00000 0.05 0.44 Q53 1 0.3291 0.0150 0.6194 11.00000 0.05 0.44 Q54 1 0.2380 0.7200 0.7132 11.00000 0.05 0.41 Q55 1 0.4365 0.0705 0.6780 11.00000 0.05 0.41 Q56 1 0.4216 0.0447 0.5997 11.00000 0.05 0.38 Q57 1 0.5201 0.5762 0.5383 11.00000 0.05 0.38 Q58 1 0.1359 -0.0824 0.4360 11.00000 0.05 0.38 Q59 1 0.2261 0.2970 0.5345 11.00000 0.05 0.38 Q60 1 0.3430 0.6602 0.6395 11.00000 0.05 0.37 Q61 1 0.3371 0.0180 0.5809 11.00000 0.05 0.37 Q62 1 0.3003 1.1891 0.5035 11.00000 0.05 0.36 Q63 1 0.1208 -0.2384 0.6351 11.00000 0.05 0.35 Q64 1 0.2954 1.0944 0.5029 11.00000 0.05 0.35 Q65 1 0.4197 0.0713 0.6188 11.00000 0.05 0.35 ; _shelx_res_checksum 26238 _shelx_hkl_file ; 0 0 -2 29.99 1.47 0 0 -2 35.46 3.27 0 0 -3 0.34 4.28 0 0 -3 -0.45 1.67 0 0 -4 356.66 8.90 0 0 -4 359.31 10.48 0 0 -5 1.70 2.64 0 0 -5 4.06 6.26 0 0 -6 390.69 11.90 0 0 -6 368.11 9.69 0 0 -7 -0.06 3.03 0 0 -7 0.92 6.88 0 0 -8 1460.96 35.16 0 0 -8 1442.40 33.93 0 0 -9 0.91 7.29 0 0 -9 -0.27 3.65 0 0 -10 40.58 3.90 0 0 -10 32.55 7.10 0 0 11 1.45 1.67 0 0 -11 1.26 3.13 0 0 -11 0.24 6.27 0 0 12 574.20 13.12 0 0 -12 522.99 14.19 0 0 -12 529.78 15.70 0 0 12 556.72 13.07 0 0 13 -0.19 1.84 0 0 -13 -4.37 6.34 0 0 -13 0.14 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0 8 -7 124.70 3.98 0 8 7 131.81 3.42 0 8 -7 134.55 4.24 0 8 8 173.86 4.82 0 8 8 173.90 4.62 0 8 -8 184.72 5.47 0 8 8 173.78 4.70 0 -8 8 177.68 5.15 0 8 8 165.06 4.62 0 8 -8 177.73 5.00 0 8 -8 182.66 5.40 0 8 8 186.23 4.60 0 8 -8 176.63 5.22 0 8 -9 372.92 9.74 0 8 9 378.73 9.18 0 8 9 393.90 9.30 0 -8 9 335.64 9.41 0 8 -9 415.70 9.48 0 -8 9 381.23 9.64 0 8 9 365.09 9.15 0 8 9 370.14 9.20 0 8 -9 363.88 9.81 0 8 9 399.28 9.06 0 8 -9 386.74 9.75 0 8 10 8.66 1.91 0 8 -10 9.52 2.47 0 8 10 13.38 1.85 0 8 -10 12.99 2.16 0 8 10 14.88 1.85 0 -8 10 7.31 2.39 0 -8 10 6.37 2.50 0 8 10 18.85 1.71 0 8 -10 11.31 2.64 0 8 -10 3.35 3.01 0 -8 11 111.91 4.36 0 8 11 124.55 3.73 0 -8 11 103.23 4.04 0 8 -11 137.75 3.99 0 8 11 123.39 3.74 0 8 -11 113.53 4.26 0 8 -11 132.19 10.30 0 8 11 145.78 3.61 0 8 -11 94.07 4.73 0 8 -11 116.25 4.51 0 8 -12 28.28 2.22 0 -8 12 30.84 2.86 0 -8 12 30.10 2.54 0 8 12 29.94 2.11 0 8 -12 23.01 2.52 0 8 -12 27.75 8.15 0 8 12 30.60 1.99 0 8 -12 22.01 2.74 0 8 -12 22.66 3.42 0 -8 13 33.47 3.14 0 -8 13 29.40 2.63 0 8 -13 27.71 2.27 0 8 -13 25.83 2.57 0 8 -13 26.45 7.87 0 8 -13 22.97 2.78 0 8 -13 19.63 3.72 0 -8 14 77.22 3.21 0 8 -14 74.46 2.90 0 -8 14 79.38 3.68 0 8 -14 59.73 3.10 0 8 -14 65.19 8.14 0 8 -14 45.24 4.28 0 8 -14 57.35 3.30 0 -8 15 121.55 4.08 0 -8 15 136.11 4.53 0 8 -15 130.07 3.81 0 8 -15 102.40 3.94 0 8 -15 133.75 8.93 0 8 -15 91.84 5.30 0 8 -15 93.29 4.20 0 -8 16 15.85 2.58 0 -8 16 12.82 2.73 0 8 -16 10.37 2.30 0 8 -16 13.69 7.08 0 8 -16 4.74 4.09 0 8 -16 8.47 2.55 0 -8 17 82.55 3.38 0 -8 17 82.14 3.58 0 8 -17 70.14 3.13 0 8 -17 87.37 8.00 0 8 -17 61.66 3.42 0 -8 18 28.77 2.66 0 -8 18 33.96 2.69 0 8 -18 22.59 2.25 0 8 -18 27.66 7.03 0 8 -18 24.12 2.60 0 -8 19 -1.43 2.32 0 -8 19 4.60 2.40 0 8 -19 7.38 6.66 0 8 -19 4.24 2.27 0 8 -19 1.81 3.64 0 -8 20 22.47 2.44 0 -8 20 18.99 2.52 0 8 -20 25.97 7.03 0 8 -20 16.84 2.37 0 8 -20 16.87 3.66 0 8 -21 6.74 3.51 0 -8 22 36.63 2.84 0 8 -22 38.17 2.81 0 8 -22 33.75 3.78 0 -8 23 1.79 2.32 0 8 -23 -0.28 2.31 0 8 -23 -0.07 3.25 0 -8 24 3.25 2.28 0 8 -24 0.85 3.26 0 8 -24 1.14 2.25 0 -8 25 10.28 2.16 0 -8 25 6.88 2.24 0 -8 25 8.80 2.12 0 8 -25 11.40 3.21 0 8 -25 8.02 2.13 0 -8 26 11.40 1.99 0 -8 26 12.56 1.91 0 -8 26 7.95 2.06 0 8 -26 13.40 2.98 0 8 -26 13.45 1.96 0 -8 27 6.62 1.75 0 -8 27 8.25 1.91 0 -8 27 8.13 1.67 0 8 -27 5.86 2.62 0 8 -27 7.77 1.71 0 -8 28 2.09 1.59 0 -8 28 5.73 1.76 0 -8 28 5.47 1.48 0 8 -28 3.38 2.47 0 -8 29 2.48 1.41 0 -8 29 0.21 1.56 0 8 -29 3.97 2.15 0 -8 30 -0.56 1.25 0 -8 30 -0.36 1.42 0 -8 31 1.35 1.12 0 -8 31 1.99 1.29 0 -8 32 -0.50 1.00 0 -8 32 0.31 1.13 0 10 0 1071.69 25.52 0 10 0 1076.29 25.45 0 10 0 1113.62 25.30 0 10 1 39.36 2.85 0 10 -1 37.18 2.93 0 10 -1 40.09 2.64 0 10 1 46.59 2.89 0 10 -1 40.70 2.66 0 10 1 34.84 2.56 0 10 -2 49.41 3.14 0 10 2 53.16 2.96 0 10 2 50.29 2.32 0 10 2 49.11 2.65 0 10 2 58.23 2.66 0 10 -2 55.61 2.91 0 10 3 784.65 19.23 0 10 3 844.27 19.60 0 10 -3 805.68 19.73 0 10 -3 863.54 19.67 0 10 3 830.46 19.52 0 10 3 850.80 19.36 0 10 -3 851.27 19.55 0 10 -4 81.68 3.65 0 10 4 82.40 2.84 0 10 4 82.65 3.28 0 10 4 83.40 3.10 0 10 -4 88.06 3.44 0 10 4 80.36 2.98 0 10 -5 200.39 6.03 0 10 5 205.94 5.65 0 10 5 192.18 5.26 0 10 -5 202.40 5.81 0 10 5 195.63 5.51 0 10 5 212.33 5.38 0 10 -5 219.60 5.90 0 10 -5 206.28 5.67 0 10 -6 72.68 3.60 0 10 6 70.61 2.59 0 10 6 73.49 3.00 0 10 6 68.50 2.82 0 10 -6 78.14 3.19 0 10 6 73.96 2.70 0 10 -6 68.90 3.09 0 10 -6 70.38 3.49 0 10 7 9.74 1.76 0 10 7 8.02 1.85 0 10 -7 12.12 2.30 0 10 7 9.71 2.13 0 10 7 9.91 1.70 0 10 -7 9.82 8.96 0 10 -7 10.99 2.28 0 10 7 9.99 1.86 0 10 -7 4.79 2.78 0 10 8 16.92 2.00 0 10 8 20.27 1.94 0 10 -8 19.51 2.52 0 10 8 15.39 1.92 0 10 8 16.61 2.24 0 10 8 19.95 2.03 0 10 -8 19.65 2.52 0 10 -8 18.32 3.11 0 10 9 103.33 3.62 0 -10 9 106.33 3.99 0 10 -9 114.55 4.09 0 10 9 109.74 3.52 0 10 9 108.42 3.60 0 10 9 113.94 3.80 0 10 -9 128.34 10.62 0 10 -9 116.53 4.68 0 10 9 120.01 3.49 0 10 -9 117.41 4.25 0 10 10 11.72 2.08 0 10 -10 13.92 2.45 0 -10 10 7.45 2.54 0 10 10 13.49 2.26 0 10 10 11.30 2.10 0 10 -10 17.27 8.95 0 10 -10 14.25 2.83 0 10 -10 5.84 3.28 0 10 10 15.10 2.03 0 -10 11 60.59 3.43 0 10 -11 61.85 3.07 0 10 -11 63.48 9.03 0 10 11 64.30 2.66 0 10 -11 52.92 4.01 0 10 -11 67.26 3.69 0 -10 12 55.14 3.51 0 10 -12 57.63 3.00 0 -10 12 47.33 2.99 0 10 -12 64.29 8.84 0 10 12 58.81 2.74 0 10 -12 53.61 3.51 0 10 -13 8.25 2.41 0 -10 13 9.07 3.08 0 -10 13 6.69 2.58 0 10 -13 17.83 8.02 0 10 -13 9.99 2.87 0 10 -14 80.69 3.53 0 -10 14 84.49 4.27 0 -10 14 82.92 3.56 0 10 -14 78.56 8.85 0 10 -14 67.41 3.85 0 -10 15 6.84 2.52 0 -10 15 6.21 3.30 0 10 -15 3.98 7.40 0 10 -15 3.05 2.65 0 10 -15 -0.04 3.69 0 -10 16 9.96 3.01 0 -10 16 6.58 2.47 0 10 -16 10.13 7.34 0 10 -16 2.17 3.63 0 10 -16 4.16 2.47 0 10 -17 8.87 7.25 0 10 -17 4.68 3.65 0 10 -18 25.65 3.77 0 -10 19 6.84 2.67 0 10 -19 1.92 2.29 0 10 -19 4.19 3.42 0 -10 20 0.78 2.56 0 10 -20 -1.15 2.21 0 10 -20 0.91 3.46 0 -10 21 22.24 2.73 0 10 -21 16.88 3.42 0 10 -21 17.97 2.42 0 -10 22 5.93 2.42 0 10 -22 7.15 3.12 0 10 -22 5.26 2.09 0 -10 23 5.18 2.00 0 -10 23 7.80 2.01 0 -10 23 8.68 2.25 0 -10 23 5.90 2.15 0 10 -23 10.70 2.00 0 -10 24 1.03 1.77 0 -10 24 5.02 1.68 0 -10 24 4.65 2.00 0 -10 24 2.60 1.85 0 10 -24 3.73 2.61 0 10 -24 1.15 1.72 0 -10 25 2.35 1.61 0 -10 25 4.64 1.83 0 -10 25 4.79 1.68 0 10 -25 2.93 2.40 0 10 -25 2.63 1.51 0 -10 26 0.79 1.42 0 -10 26 0.51 1.50 0 -10 26 0.04 1.65 0 10 -26 1.67 2.21 0 -10 27 -0.17 1.30 0 -10 27 -0.65 1.52 0 -10 27 2.41 1.33 0 10 -27 0.58 2.10 0 -10 28 1.45 1.18 0 -10 28 -0.79 1.22 0 -10 28 -1.52 1.43 0 10 -28 -0.58 1.90 0 -10 29 4.91 1.11 0 -10 29 4.63 1.35 0 12 0 70.23 3.46 0 12 0 70.28 2.71 0 12 0 74.14 3.33 0 12 -1 7.01 2.78 0 12 1 11.28 2.75 0 12 1 18.57 2.58 0 12 -1 20.22 2.66 0 12 -2 59.57 3.78 0 12 2 48.95 3.54 0 12 2 96.30 2.98 0 12 -2 104.82 3.90 0 12 2 52.56 3.28 0 12 3 454.27 11.19 0 12 3 420.31 10.65 0 12 -3 438.77 11.39 0 12 3 452.60 11.09 0 12 -3 459.65 11.22 0 12 -4 9.37 3.24 0 12 4 11.02 2.71 0 12 -4 12.33 2.83 0 12 -5 10.24 3.01 0 12 5 7.94 1.95 0 12 5 8.61 2.43 0 12 5 7.44 2.24 0 12 -5 6.11 2.58 0 12 6 6.90 2.50 0 12 6 7.10 2.07 0 12 -6 9.62 3.28 0 12 6 6.63 2.28 0 12 -6 8.31 2.64 0 12 -7 37.32 3.70 0 12 7 34.66 2.86 0 12 7 35.13 2.43 0 12 -7 32.91 3.00 0 12 7 29.03 2.54 0 12 -7 26.06 3.21 0 12 -8 63.77 3.98 0 12 8 69.35 3.28 0 12 -8 62.03 3.49 0 12 -8 67.64 3.83 0 12 9 102.06 3.81 0 12 -9 97.21 4.41 0 12 -9 96.59 3.99 0 12 -9 97.24 4.45 0 12 9 98.25 3.39 0 12 -10 7.61 2.81 0 12 -10 11.43 3.40 0 12 -11 131.04 10.28 0 12 -11 115.65 5.04 0 12 -12 56.12 4.08 0 12 -13 26.22 3.61 0 12 -14 9.02 2.64 0 12 -14 7.75 3.40 0 12 -15 3.20 2.42 0 12 -15 5.57 3.38 0 12 -16 39.29 2.73 0 12 -16 30.00 3.79 0 12 -17 28.15 2.52 0 -12 17 28.97 3.26 0 12 -17 21.24 3.52 0 12 -18 0.29 2.08 0 -12 18 0.60 2.72 0 12 -18 -0.74 3.15 0 -12 19 3.51 2.54 0 -12 19 -0.14 2.17 0 12 -19 -0.18 3.11 0 -12 20 4.58 2.06 0 -12 20 0.72 2.35 0 12 -20 2.14 2.84 0 -12 21 -1.60 2.01 0 -12 21 1.57 1.94 0 -12 21 3.55 2.18 0 12 -21 5.53 2.60 0 -12 22 4.07 1.84 0 -12 22 3.59 2.00 0 -12 22 4.62 1.82 0 12 -22 2.25 2.39 0 -12 23 3.03 1.59 0 -12 23 1.26 1.80 0 -12 23 2.88 1.68 0 12 -23 2.49 2.20 0 -12 24 -0.98 1.49 0 12 -24 -0.70 2.01 0 -12 25 5.39 1.40 0 12 -25 7.11 1.93 0 -12 26 -0.11 1.19 0 14 0 8.39 2.85 0 14 0 6.08 2.69 0 14 0 3.53 2.25 0 14 -1 6.31 2.95 0 14 1 3.79 2.83 0 14 1 7.96 2.69 0 14 1 2.91 2.26 0 14 -1 7.59 2.42 0 14 2 68.33 3.90 0 14 -2 69.98 4.10 0 14 2 69.88 3.80 0 14 2 67.65 3.29 0 14 -3 272.60 8.02 0 14 3 279.59 7.77 0 14 3 274.83 7.74 0 14 -3 273.78 7.81 0 14 3 262.25 7.13 0 14 -3 284.51 7.48 0 14 -4 19.76 3.63 0 14 -4 23.32 3.05 0 14 4 27.26 2.59 0 14 -5 84.01 4.31 0 14 5 81.40 3.75 0 14 -5 85.21 3.94 0 14 5 71.05 3.09 0 14 -5 82.93 3.76 0 14 6 69.01 3.47 0 14 -6 67.15 4.10 0 14 -6 65.52 3.58 0 14 6 59.12 2.79 0 14 -6 54.48 3.53 0 14 -7 6.19 3.26 0 -14 7 3.49 3.47 0 14 -7 4.24 2.76 0 14 -7 -0.59 2.98 0 14 7 3.37 2.12 0 14 -8 18.15 3.09 0 14 -8 14.35 2.75 0 -14 8 15.46 3.54 0 14 -8 14.72 3.04 0 14 8 13.98 2.15 0 14 -9 42.71 3.30 0 14 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0 16 2 16.06 2.55 0 16 -2 12.08 2.64 0 16 2 16.62 2.17 0 16 -2 22.27 2.38 0 16 -3 62.43 3.39 0 16 3 62.18 2.72 0 16 -3 62.74 3.05 0 16 -4 8.87 2.79 0 16 -4 16.77 2.54 0 16 -5 40.13 3.15 0 16 -5 51.12 2.97 0 16 -6 62.00 3.35 0 16 -6 72.21 3.27 0 16 -7 6.49 2.40 0 16 -7 8.70 2.56 0 16 -8 21.97 2.39 0 16 -8 18.66 2.65 0 16 -9 10.58 2.17 0 16 -9 9.19 2.50 0 16 -10 3.63 1.97 0 16 -10 5.76 2.54 0 16 -11 58.32 2.64 0 -16 11 62.58 3.33 0 -16 11 59.47 3.30 0 16 -11 64.25 3.21 0 16 -12 10.45 1.78 0 -16 12 9.10 2.34 0 -16 12 9.55 2.42 0 16 -12 10.39 2.47 0 16 -13 1.13 1.57 0 -16 13 -0.41 2.03 0 -16 13 -0.13 2.13 0 16 -13 0.11 2.31 0 16 -14 3.70 1.46 0 -16 14 -0.36 1.90 0 -16 14 2.74 1.96 0 16 -14 5.58 2.25 0 -16 15 1.08 1.75 0 -16 15 -1.32 1.76 0 16 -15 0.30 2.09 0 -16 16 19.89 1.84 1 1 -35 0.16 1.04 1 -1 -35 -0.30 1.05 -1 -1 34 1.57 1.05 1 1 -34 1.85 1.15 1 -1 -34 0.86 1.16 -1 -1 33 -0.07 1.18 1 -1 -33 0.83 1.29 1 1 -33 0.84 1.26 -1 1 32 0.37 1.21 -1 -1 32 1.64 1.31 -1 -1 32 1.10 1.32 1 1 -32 1.19 1.40 1 -1 -32 0.75 1.43 -1 -1 31 0.65 1.48 -1 1 31 1.60 1.37 -1 -1 31 2.00 1.44 1 1 -31 3.27 3.10 1 -1 -31 4.45 3.12 1 -1 -31 2.25 1.59 1 1 -31 3.65 1.59 -1 -1 30 5.42 1.70 -1 -1 30 5.26 1.67 -1 1 30 5.38 1.57 1 1 -30 6.77 3.40 1 -1 -30 8.78 3.44 1 -1 -30 8.15 5.18 -1 -1 30 9.23 3.01 -1 1 30 7.99 2.95 1 1 -30 6.62 1.79 1 -1 -30 8.70 1.82 -1 -1 29 3.77 1.87 -1 1 29 2.95 1.71 -1 -1 29 3.61 1.86 1 -1 -29 5.46 3.70 -1 1 29 3.01 3.21 1 -1 -29 1.95 5.54 -1 -1 29 0.24 3.32 1 1 -29 3.08 3.58 1 1 -29 4.71 1.96 1 -1 -29 3.98 1.97 -1 -1 28 2.45 2.03 -1 1 28 3.82 2.04 -1 -1 28 4.93 2.06 -1 -1 28 0.97 1.99 -1 1 28 1.99 1.89 -1 1 28 4.26 3.51 1 -1 -28 4.42 3.88 1 1 -28 -0.55 3.75 -1 -1 28 5.09 3.62 1 -1 -28 2.84 2.15 1 1 -28 3.31 2.11 1 -1 -27 -0.83 4.00 -1 -1 27 -3.76 3.77 1 1 -27 -4.72 3.98 -1 1 27 1.34 3.74 1 -1 -27 1.09 2.34 1 1 -27 1.52 2.29 -1 1 26 33.72 2.38 1 -1 -26 43.93 4.60 -1 -1 26 52.37 4.49 -1 1 26 46.38 4.39 1 1 -26 39.86 4.52 1 -1 -26 39.19 2.80 1 1 -26 39.62 2.76 -1 1 25 40.28 2.32 -1 -1 25 30.37 2.41 -1 1 25 33.21 2.31 -1 -1 25 39.72 2.29 -1 -1 25 37.87 4.22 1 1 -25 33.71 4.25 1 -1 -25 33.16 4.31 -1 1 25 40.02 4.20 1 1 -25 29.61 2.61 1 -1 -25 31.88 2.65 -1 1 24 1.08 1.87 -1 -1 24 1.54 2.07 -1 -1 24 2.59 1.89 -1 1 24 3.18 1.97 1 -1 -24 7.75 3.81 -1 1 24 2.61 3.64 1 1 -24 0.50 3.67 -1 -1 24 -0.43 3.67 -1 1 23 94.93 3.45 -1 -1 23 108.77 3.39 -1 1 23 105.49 3.37 1 1 -23 102.51 5.25 1 -1 -23 97.09 5.27 -1 1 23 107.73 5.15 -1 -1 23 111.81 5.22 -1 -1 22 12.87 1.78 -1 1 22 14.15 1.96 -1 1 22 11.26 1.75 1 -1 -22 13.57 3.58 1 1 -22 12.47 3.51 -1 -1 22 10.78 3.38 -1 1 22 13.38 3.35 1 -1 -22 17.64 2.44 1 1 -22 13.97 2.35 -1 1 21 42.96 2.35 -1 -1 21 48.84 2.20 -1 1 21 47.50 2.19 -1 1 21 58.16 3.93 1 1 -21 45.24 4.01 1 -1 -21 46.65 4.05 -1 -1 21 57.20 3.99 1 1 -21 50.39 2.77 1 -1 -21 47.58 2.76 -1 -1 20 2.27 1.60 -1 1 20 4.66 1.80 -1 1 20 0.98 1.59 1 1 -20 5.02 3.31 1 -1 -20 4.74 3.34 1 1 -20 2.96 2.18 1 -1 -20 3.94 2.19 -1 -1 19 83.68 2.88 -1 -1 19 79.10 2.56 -1 1 19 81.63 2.56 1 -1 -19 51.25 4.10 1 1 -19 49.30 4.13 1 -1 -19 51.52 2.94 1 1 -19 51.60 2.94 -1 -1 18 6.05 1.98 -1 -1 18 3.33 1.61 -1 1 18 4.08 1.60 1 1 -18 1.79 3.32 1 -1 -18 5.59 3.38 1 -1 -18 3.33 2.20 1 1 -18 5.35 2.23 -1 -1 17 10.16 1.65 -1 1 17 9.45 1.64 -1 -1 17 9.50 2.03 1 1 -17 16.25 2.28 1 -1 -17 16.25 2.27 -1 -1 16 31.94 2.29 -1 -1 16 41.13 1.98 -1 1 16 36.95 1.96 1 1 -16 42.91 4.02 1 1 -16 40.48 6.30 1 -1 -16 41.18 3.97 1 -1 -16 40.71 2.50 1 1 -16 44.18 2.53 1 1 -15 76.84 2.67 -1 -1 15 79.27 2.98 -1 1 15 79.59 2.71 -1 -1 15 82.50 2.73 1 -1 -15 91.99 4.62 1 1 -15 83.34 6.95 1 1 -15 93.53 4.70 1 -1 -15 86.74 3.16 1 1 -15 91.61 3.19 1 1 -14 461.24 11.36 -1 -1 14 488.06 11.55 -1 1 14 488.42 11.46 1 -1 -14 527.17 12.93 1 1 -14 492.52 14.45 1 1 -14 519.42 12.92 1 1 -13 77.59 2.71 -1 1 13 84.47 2.80 -1 -1 13 84.49 2.96 1 1 -13 86.52 4.43 1 1 -13 84.53 7.26 1 -1 -13 86.98 4.47 -1 -1 12 18.74 2.02 -1 1 12 17.04 1.80 1 1 -12 14.18 3.24 1 1 -12 12.65 6.62 1 -1 -12 13.13 3.18 -1 -1 11 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2.33 -4 -10 13 39.68 3.18 -4 -10 13 36.21 3.48 4 10 -13 28.76 2.49 4 10 -13 34.11 3.70 -4 10 12 188.34 5.10 4 10 -12 160.44 5.79 -4 -10 12 162.53 5.65 -4 10 12 183.24 5.05 -4 -10 12 169.55 5.87 4 10 -12 185.37 5.31 4 10 -12 190.83 6.26 4 10 -11 98.90 4.52 -4 10 11 107.18 3.55 4 10 -11 108.49 3.94 -4 -10 11 111.58 4.39 -4 10 11 99.70 3.53 -4 10 11 112.41 3.56 4 10 -11 111.49 4.77 4 10 -11 110.69 4.64 -4 10 10 6.49 1.78 4 10 -10 7.69 3.04 -4 10 10 6.69 1.88 -4 10 10 5.37 1.90 4 10 -10 6.38 2.29 4 10 -10 4.31 3.12 4 10 -10 4.11 2.80 4 10 -9 483.86 11.98 -4 10 9 449.90 10.99 -4 10 9 475.64 11.40 -4 10 9 440.97 11.10 4 10 -9 464.83 11.41 -4 10 9 449.71 10.97 4 10 -9 472.99 11.71 4 10 -9 459.37 11.67 -4 10 8 151.14 4.90 4 10 -8 163.21 5.38 -4 10 8 157.09 4.38 -4 10 8 157.16 4.38 -4 10 8 155.27 4.54 4 10 -8 145.26 4.93 4 10 -8 158.68 5.12 -4 10 8 164.45 4.34 -4 10 7 107.82 3.29 4 10 -7 104.99 4.16 -4 10 7 109.14 3.85 -4 10 7 106.26 3.49 -4 10 7 103.24 3.26 4 10 -7 108.99 3.86 4 10 -7 116.83 4.11 -4 10 7 109.24 3.29 4 10 -7 107.76 3.90 -4 10 6 50.41 2.81 -4 10 6 50.36 2.19 -4 10 6 47.09 2.41 4 10 -6 50.22 2.82 4 10 -6 47.14 2.73 4 10 -6 48.04 3.00 -4 10 6 48.95 2.23 -4 10 5 3.83 2.19 -4 10 5 4.96 1.58 -4 10 5 3.27 1.79 4 10 -5 6.04 2.19 4 10 -5 3.97 2.29 -4 10 5 3.99 1.76 4 10 -5 4.91 2.02 -4 10 4 16.56 2.35 4 10 -4 18.74 2.29 -4 10 4 15.00 2.03 4 10 -4 17.40 2.09 -4 10 4 17.50 1.93 4 10 -4 17.13 2.34 -4 10 3 286.29 7.87 -4 10 3 292.11 7.72 4 10 -3 297.10 7.83 4 10 -3 309.47 7.75 -4 10 3 319.30 7.53 4 10 -2 99.93 3.88 -4 10 2 105.20 3.94 -4 10 2 108.86 3.79 -4 10 2 105.33 3.51 4 10 -2 101.87 3.68 4 10 -1 692.64 16.55 -4 10 1 697.13 16.64 -4 10 1 702.02 16.51 4 10 -1 700.50 16.51 4 -10 -1 669.66 16.48 -4 10 1 685.25 16.28 4 10 -1 700.63 16.38 -4 10 0 179.12 6.46 4 10 0 195.49 6.27 -4 10 0 179.97 6.21 4 10 0 205.94 6.30 -4 10 0 196.67 6.10 4 10 0 201.75 6.11 -4 10 -1 206.20 6.33 4 10 1 209.48 6.05 -4 10 -1 215.01 6.12 4 10 1 219.81 6.03 4 10 1 218.51 5.88 -4 10 -1 217.29 5.98 -4 10 -2 171.11 5.39 4 10 2 169.30 4.99 -4 10 -2 162.06 5.09 4 10 2 168.71 4.95 4 10 2 162.40 4.80 -4 10 -2 170.76 5.02 4 10 3 25.60 2.28 -4 10 -3 27.60 2.96 -4 10 -3 24.87 2.47 4 10 3 28.23 2.23 4 10 3 26.60 2.14 -4 10 -3 26.98 2.59 -4 10 -4 29.11 2.85 4 10 4 34.78 2.35 4 10 4 30.50 2.39 4 10 4 35.34 2.17 -4 10 -4 36.51 3.25 -4 10 -4 27.12 14.60 -4 10 -4 24.64 2.86 4 10 4 34.89 2.29 -4 10 -5 696.28 17.09 4 10 5 697.40 16.86 4 10 5 660.13 16.65 -4 10 -5 768.63 17.47 4 10 5 722.70 16.83 -4 10 -5 652.69 25.90 4 10 5 718.40 16.69 -4 10 -5 762.16 17.14 -4 10 -6 5.59 2.41 4 -10 6 6.25 2.00 4 10 6 3.12 2.08 -4 10 -6 11.17 3.02 -4 10 -6 17.04 13.18 -4 10 -6 -1.35 3.13 4 10 6 7.00 1.96 4 -10 7 21.97 2.20 -4 10 -7 21.39 2.61 4 10 7 18.80 2.10 -4 10 -7 29.56 3.05 -4 10 -7 31.78 12.32 -4 10 -7 18.52 3.16 4 10 7 22.40 2.08 4 -10 8 336.12 8.93 -4 10 -8 350.00 9.22 4 10 8 349.73 8.79 -4 10 -8 339.21 9.38 -4 10 -8 333.09 16.92 4 10 8 370.23 8.71 -4 10 -8 367.45 9.61 -4 10 -9 185.10 5.72 4 -10 9 180.17 5.46 4 10 9 191.01 5.21 -4 10 -9 172.53 5.85 -4 10 -9 181.43 13.40 4 10 9 198.89 5.15 -4 10 -9 168.41 6.25 -4 10 -10 150.27 4.90 4 -10 10 141.10 4.82 4 10 10 148.69 4.38 -4 10 -10 139.70 5.05 -4 10 -10 151.66 12.33 4 10 10 158.49 4.39 -4 10 -10 128.19 5.67 -4 10 -10 152.67 5.01 -4 10 -11 36.29 2.82 4 -10 11 37.45 2.99 -4 10 -11 31.55 3.08 -4 10 -11 44.65 10.21 4 10 11 37.18 2.48 -4 10 -11 35.82 2.88 4 -10 12 5.27 2.76 -4 10 -12 5.07 2.45 -4 10 -12 1.56 2.68 -4 10 -12 2.71 9.38 -4 10 -12 1.80 2.52 -4 10 -13 11.94 2.55 4 -10 13 16.52 2.95 -4 10 -13 13.14 2.70 -4 10 -13 22.24 9.13 -4 10 -13 13.04 2.59 -4 10 -14 64.74 3.24 4 -10 14 58.81 3.70 -4 10 -14 54.86 3.24 -4 10 -14 69.96 9.63 -4 10 -14 53.44 3.21 4 -10 15 23.31 3.23 -4 10 -15 20.33 2.38 -4 10 -15 26.84 8.38 -4 10 -15 16.51 2.60 -4 10 -16 14.86 7.77 -4 10 -16 10.74 4.12 -4 10 -17 16.92 7.66 -4 10 -17 19.65 4.13 4 -10 18 3.73 2.72 4 -10 18 1.34 2.28 -4 10 -18 -0.88 7.14 -4 10 -18 3.07 2.20 -4 10 -18 3.45 3.92 4 -10 19 2.57 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278.25 7.56 -4 12 7 113.17 3.76 -4 12 7 116.55 4.50 4 12 -7 114.43 4.96 4 12 -7 127.56 4.54 -4 12 7 114.55 4.06 -4 12 6 5.28 1.94 4 12 -6 -1.85 3.34 -4 12 6 -1.04 2.74 -4 12 6 -1.59 2.27 4 12 -6 5.36 2.71 -4 12 5 7.17 1.88 -4 12 5 9.38 2.74 4 12 -5 4.76 3.03 -4 12 5 9.10 2.30 4 12 -5 10.18 2.58 -4 12 4 4.95 2.71 4 12 -4 5.70 2.92 -4 12 4 9.61 1.98 4 12 -4 8.24 2.57 -4 12 4 7.18 2.35 -4 12 3 73.03 3.59 4 12 -3 72.67 3.65 -4 12 3 74.97 2.81 -4 12 3 77.40 3.30 4 12 -3 73.37 3.44 4 12 -2 13.43 2.76 -4 12 2 13.81 2.05 -4 12 2 15.78 2.84 -4 12 2 15.93 2.51 4 12 -1 54.47 3.41 -4 12 1 48.47 3.55 4 12 -1 55.79 3.22 4 12 0 304.37 8.11 -4 12 0 295.69 8.30 4 12 0 297.97 8.03 -4 12 0 304.18 8.12 -4 12 -1 40.67 3.54 4 12 1 39.32 3.08 -4 12 -1 41.98 3.14 -4 12 -2 30.14 3.26 4 12 2 25.76 2.63 4 12 2 31.98 2.66 -4 12 -2 26.85 2.84 4 12 3 3.86 2.40 -4 12 -3 2.25 3.06 4 -12 3 2.63 2.72 -4 12 -3 3.40 2.61 -4 12 -4 3.60 3.34 4 12 4 1.17 2.50 4 -12 4 2.76 3.08 4 12 5 564.58 13.48 -4 12 -5 551.79 14.04 4 -12 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14 -11 37.92 3.25 4 14 -11 44.39 3.29 4 14 -10 18.44 3.21 4 14 -10 17.20 2.96 4 14 -9 38.68 3.71 4 14 -9 27.90 3.17 4 14 -8 28.71 3.61 4 14 -8 35.57 3.17 4 14 -7 54.29 3.86 -4 14 7 54.58 2.88 4 14 -7 53.84 3.41 4 14 -6 13.52 3.43 -4 14 6 13.74 2.78 4 14 -6 7.81 3.08 4 14 -5 267.92 8.35 -4 14 5 259.82 7.98 -4 14 5 284.50 7.95 4 14 -5 291.99 7.94 -4 14 4 250.00 7.89 4 14 -4 249.26 8.09 -4 14 4 262.34 7.75 4 14 -4 260.80 7.59 -4 14 3 172.52 5.94 -4 14 3 199.36 5.23 4 14 -3 172.51 6.04 -4 14 3 169.60 5.74 4 14 -3 199.17 5.58 -4 14 3 156.43 5.02 -4 14 2 17.29 3.31 4 14 -2 16.38 3.29 -4 14 2 20.80 3.08 -4 14 2 22.57 2.49 4 14 -1 26.83 3.33 -4 14 1 21.44 3.34 -4 14 1 25.48 2.56 4 14 -1 22.93 2.71 4 14 0 95.24 4.16 -4 14 0 98.03 4.38 -4 14 0 108.20 3.46 -4 14 0 94.43 4.19 -4 14 0 84.39 3.51 4 14 0 85.84 3.60 4 14 1 26.21 3.03 -4 14 -1 23.74 3.37 -4 14 -1 24.92 3.14 -4 14 -1 18.55 2.61 4 14 1 27.57 2.55 4 14 2 9.96 2.73 -4 14 -2 12.77 3.21 -4 14 -2 20.70 3.05 -4 14 -2 13.03 2.49 4 14 2 9.61 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7 -9 130.54 4.27 -5 7 8 196.51 5.14 5 7 -8 217.36 5.39 -5 7 8 204.10 5.44 -5 7 8 208.60 5.09 5 7 -8 189.62 5.79 5 7 -8 175.92 9.39 5 7 -8 194.64 5.54 -5 7 8 201.67 4.94 5 7 -8 215.31 5.74 5 7 -7 43.15 2.25 -5 7 7 43.68 1.94 5 7 -7 39.93 2.66 -5 7 7 38.28 2.27 5 7 -7 38.50 7.08 -5 7 7 45.24 1.68 5 7 -7 46.83 2.47 5 7 -7 42.49 3.06 5 7 -6 105.68 3.22 -5 7 6 95.17 2.96 -5 7 6 95.22 3.23 5 7 -6 100.62 3.49 -5 7 6 97.68 5.36 5 7 -6 94.81 7.25 -5 7 6 104.06 2.78 5 7 -6 100.22 3.99 5 7 -6 104.34 3.33 -5 7 5 12.71 1.46 5 7 -5 17.29 3.04 5 7 -5 12.28 1.76 -5 7 5 10.88 1.84 5 7 -5 11.56 1.95 -5 7 5 13.85 3.54 5 7 -5 14.97 5.62 -5 7 5 15.48 1.30 5 7 -5 14.03 1.87 5 7 -5 10.95 1.79 5 7 -4 15.05 2.88 5 7 -4 14.10 1.70 -5 7 4 10.21 1.49 -5 7 4 12.41 1.85 5 7 -4 12.64 1.87 5 7 -4 16.03 5.07 -5 7 4 13.29 3.53 5 7 -4 11.49 1.78 5 7 -4 12.23 1.66 5 7 -3 23.49 1.86 -5 7 3 23.90 1.69 -5 7 3 21.54 2.00 5 7 -3 23.12 1.93 -5 7 3 29.96 3.77 5 7 -3 29.66 1.98 5 7 -3 30.90 1.89 5 7 -3 27.08 1.74 -5 7 3 27.18 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408.89 9.11 8 -6 -5 387.99 8.79 8 6 -5 368.56 8.56 8 6 -4 9.18 2.36 -8 6 4 4.15 1.35 8 6 -4 5.05 1.73 -8 6 4 5.11 1.92 8 6 -4 5.38 1.37 8 -6 -4 5.82 1.55 -8 6 4 6.86 1.33 8 6 -4 6.06 1.85 -8 -6 4 7.18 1.48 8 6 -4 4.68 1.60 -8 6 3 3.42 1.43 8 -6 -3 4.09 1.44 8 6 -3 5.32 2.21 8 6 -3 5.02 1.72 8 6 -3 3.06 1.65 -8 6 3 2.80 1.93 8 -6 -3 3.29 1.05 -8 6 3 3.01 3.18 8 6 -3 3.54 1.28 8 -6 -3 5.31 1.46 8 6 -3 4.74 1.48 -8 -6 3 7.11 1.32 -8 6 3 4.90 1.19 8 6 -3 2.96 1.54 -8 6 2 43.12 1.97 8 6 -2 45.98 2.20 8 -6 -2 44.38 2.05 8 -6 -2 44.17 1.65 8 6 -2 44.90 2.07 -8 6 2 41.68 2.41 8 -6 -2 45.29 2.02 8 6 -2 43.76 1.89 -8 6 2 43.75 3.78 -8 6 2 48.16 1.73 -8 -6 2 51.22 1.80 8 6 -2 46.59 2.00 8 6 -2 45.62 1.83 8 -6 -1 96.10 3.11 8 6 -1 99.26 3.14 -8 6 1 85.99 2.97 8 6 -1 87.06 2.95 -8 6 1 98.76 3.39 8 -6 -1 89.07 2.71 8 -6 -1 90.50 3.09 8 6 -1 89.37 2.93 -8 6 1 81.84 4.67 -8 6 1 85.26 2.88 8 6 -1 88.47 2.90 8 6 -1 86.16 2.73 8 -6 0 1413.45 32.66 -8 6 0 1377.04 32.60 8 6 0 1374.47 32.69 -8 6 0 1444.77 32.75 8 6 0 1445.00 32.54 8 -6 0 1408.79 32.46 8 6 0 1423.67 32.66 8 -6 0 1490.15 32.75 -8 6 0 1419.87 34.47 -8 6 0 1440.03 32.53 8 6 0 1400.50 32.49 8 6 0 1408.76 32.41 8 -6 1 145.47 5.01 -8 6 -1 155.97 5.17 8 6 1 144.26 4.65 -8 6 -1 136.46 6.39 8 6 1 135.57 4.65 8 -6 2 1784.12 41.16 -8 6 -2 1874.89 41.19 8 6 2 1784.25 40.88 -8 6 -2 1779.18 42.83 8 6 2 1753.84 40.87 8 -6 3 1179.73 27.52 8 -6 3 1192.99 27.76 -8 6 -3 1240.64 27.76 -8 6 -3 1197.90 29.45 8 6 3 1184.91 27.43 8 -6 4 358.77 8.89 -8 6 -4 371.47 9.17 8 6 4 373.39 8.73 8 6 4 362.68 8.97 -8 6 -4 369.70 10.98 8 -6 4 376.53 9.05 8 6 4 363.13 8.77 8 -6 5 51.85 2.30 -8 6 -5 50.61 2.76 8 6 5 46.84 1.92 8 6 5 48.42 2.39 8 -6 5 47.58 2.56 8 6 5 49.58 2.07 8 -6 6 1592.97 36.18 -8 6 -6 1516.44 36.24 8 -6 6 1495.91 36.03 8 6 6 1556.28 35.92 8 6 6 1658.29 36.34 8 -6 6 1642.28 36.36 8 6 6 1550.35 35.98 -8 6 -6 1657.11 36.24 8 -6 7 10.05 2.06 8 6 7 7.51 1.42 -8 6 -7 8.35 2.38 8 6 7 7.02 1.17 8 -6 7 6.96 1.31 8 -6 7 9.39 2.48 8 6 7 9.47 2.27 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17.90 7.11 -8 -6 -24 7.48 3.76 8 6 24 8.07 2.84 -8 -6 -24 5.96 2.09 -8 6 -24 5.93 1.90 8 -6 25 3.72 1.84 8 -6 25 3.53 1.55 8 -6 25 3.21 1.73 8 6 25 0.10 1.52 8 -6 25 1.58 1.57 -8 6 -25 3.45 3.14 -8 -6 -25 7.80 3.56 8 6 25 3.91 2.69 -8 6 -25 2.54 1.75 -8 -6 -25 4.19 1.97 8 -6 26 11.05 1.73 8 6 26 11.96 1.50 8 -6 26 7.40 1.55 8 -6 26 13.31 1.88 -8 6 -26 11.16 1.73 -8 -6 -26 11.01 1.95 8 -6 27 1.02 1.52 8 6 27 0.99 1.27 8 -6 27 2.35 1.36 8 -6 27 3.45 1.65 -8 6 -27 3.65 1.49 -8 -6 -27 4.55 1.67 8 -6 28 13.46 1.56 8 -6 28 11.64 1.40 8 6 28 14.01 1.32 8 -6 28 17.75 1.73 -8 -6 -28 18.23 1.65 -8 6 -28 15.48 2.93 8 -6 29 -0.44 1.10 8 -6 29 -2.14 1.31 -8 6 -29 1.80 2.58 8 -6 30 2.68 1.19 -8 6 -30 3.57 2.36 8 -6 31 0.44 1.11 -8 -8 32 1.10 1.16 -8 -8 32 -0.05 1.22 -8 -8 31 0.20 1.31 -8 -8 31 1.81 1.38 8 8 -31 -0.67 1.35 -8 -8 30 1.49 1.48 -8 -8 30 1.05 1.52 8 8 -30 0.70 1.59 -8 -8 29 4.40 1.68 8 8 -29 3.29 1.76 -8 -8 28 0.71 1.76 8 8 -28 3.45 1.84 -8 -8 27 5.07 1.94 8 8 -27 6.94 2.03 -8 -8 26 21.09 2.63 -8 -8 26 17.05 2.29 8 8 -26 18.45 1.98 8 8 -26 11.98 5.52 -8 -8 25 5.83 2.55 -8 -8 25 -2.80 2.16 8 8 -25 4.68 1.92 8 8 -25 -1.29 5.59 8 8 -25 0.53 2.47 -8 -8 24 11.66 2.83 8 8 -24 7.70 2.17 8 8 -24 10.36 5.92 8 8 -24 5.90 2.86 8 8 -23 20.66 2.47 -8 -8 23 21.73 3.04 8 8 -23 13.42 3.11 8 8 -22 21.14 3.16 8 8 -21 34.65 3.40 8 8 -20 -0.29 2.26 -8 -8 20 -0.14 3.07 8 8 -20 -0.30 2.93 8 8 -19 28.17 2.59 -8 -8 19 30.90 3.27 8 8 -18 4.76 2.24 -8 8 18 6.25 2.04 -8 -8 18 5.24 2.93 8 8 -17 3.66 2.31 -8 8 17 5.52 1.96 -8 -8 17 5.93 2.95 8 8 -17 -0.99 3.00 8 8 -16 119.51 4.66 -8 8 16 152.51 4.17 8 8 -16 115.85 4.95 8 8 -16 147.08 4.35 -8 8 15 21.07 2.02 8 8 -15 13.89 2.77 -8 8 15 20.91 2.05 8 8 -15 23.71 2.48 8 8 -15 15.38 3.05 -8 8 14 4.02 1.67 8 8 -14 5.85 2.69 -8 8 14 0.87 1.74 8 8 -14 2.89 2.25 8 8 -14 0.84 2.75 -8 8 13 49.83 2.16 8 8 -13 43.15 3.42 -8 8 13 51.82 2.26 -8 8 13 40.59 2.04 8 8 -13 52.12 2.86 8 8 -13 39.05 3.22 8 8 -12 0.12 3.11 -8 8 12 0.51 1.65 -8 8 12 3.93 1.69 8 8 -12 2.02 2.48 -8 8 12 1.30 1.56 8 8 -12 2.84 2.72 -8 8 11 246.77 6.25 8 8 -11 215.00 7.31 -8 8 11 257.28 6.29 8 8 -11 279.48 6.52 -8 8 11 225.37 6.23 8 8 -11 224.32 6.87 8 8 -11 286.58 6.85 8 8 -10 -3.57 3.01 -8 8 10 3.63 1.60 -8 8 10 1.07 1.61 8 8 -10 7.17 2.75 8 8 -10 0.58 2.10 8 8 -10 -3.18 2.72 -8 8 9 23.62 1.65 8 8 -9 25.94 2.73 8 8 -9 26.54 2.84 8 8 -9 21.94 2.14 -8 8 9 22.06 1.68 8 8 -9 26.38 2.47 8 8 -8 124.37 4.72 -8 8 8 134.80 4.04 8 8 -8 186.71 4.98 8 8 -8 170.74 4.40 8 8 -8 126.78 4.43 -8 8 7 19.60 2.38 8 -8 -7 24.62 2.29 8 8 -7 21.82 2.65 -8 8 7 20.09 1.81 8 8 -7 28.49 2.35 8 8 -7 22.51 2.41 8 8 -6 230.79 6.38 -8 8 6 221.39 6.25 8 -8 -6 220.30 6.19 -8 8 6 219.49 5.87 8 8 -6 235.88 6.14 8 8 -6 237.49 6.11 8 8 -6 234.21 6.19 8 8 -5 268.18 6.96 -8 8 5 232.85 6.82 -8 8 5 246.71 6.56 8 8 -5 300.69 7.52 8 8 -5 259.81 6.79 8 8 -5 269.96 6.76 8 8 -5 274.68 6.75 -8 8 4 299.23 7.63 8 8 -4 292.73 7.56 -8 8 4 279.73 7.32 8 -8 -4 300.10 7.21 -8 8 4 277.78 7.08 8 8 -4 287.26 7.37 8 8 -4 283.52 7.39 -8 8 3 5.23 2.23 8 8 -3 4.41 1.98 -8 8 3 4.10 1.75 8 -8 -3 3.87 1.70 8 8 -3 6.85 1.72 -8 8 3 5.72 1.59 8 8 -3 5.97 1.93 -8 8 2 6.49 2.23 8 -8 -2 6.27 1.24 8 8 -2 4.46 1.82 -8 8 2 4.87 1.80 8 -8 -2 6.71 1.74 8 8 -2 5.06 2.00 8 8 -2 4.03 1.54 8 8 -2 4.82 1.83 -8 8 2 5.58 1.70 8 8 -1 220.54 5.59 -8 8 1 196.53 5.84 -8 8 1 213.96 5.66 8 -8 -1 206.27 5.26 8 8 -1 207.59 5.66 8 -8 -1 200.45 5.58 8 8 -1 228.18 5.98 8 8 -1 219.12 5.51 -8 8 1 219.31 5.45 8 8 -1 211.12 5.35 8 8 0 159.59 4.45 8 -8 0 159.63 4.22 -8 8 0 164.91 4.95 -8 8 0 163.72 4.64 8 -8 0 159.59 4.63 8 8 0 173.89 4.66 8 8 0 164.85 4.43 8 8 0 153.95 4.21 -8 8 0 155.23 4.47 -8 8 -1 113.41 3.98 8 -8 1 102.42 3.05 8 -8 1 104.56 3.55 -8 8 -1 106.60 3.58 -8 8 -1 100.23 3.42 8 8 1 102.91 3.25 -8 8 -2 695.61 15.21 8 -8 2 628.02 14.61 -8 8 -2 658.18 14.96 8 -8 2 651.97 14.97 -8 8 -2 677.92 14.84 8 8 2 640.50 14.64 -8 8 -3 1058.44 23.88 8 8 3 998.23 23.39 -8 8 -3 1017.95 23.70 8 -8 3 989.62 23.71 -8 8 -3 1041.31 23.65 8 8 3 984.20 23.36 -8 8 -4 87.30 3.90 8 8 4 85.14 2.97 -8 8 -4 88.72 3.56 8 -8 4 88.04 3.62 -8 8 -4 96.18 3.90 8 8 4 85.40 3.00 -8 8 -5 753.16 17.59 8 8 5 731.20 17.04 -8 8 -5 722.32 17.44 8 -8 5 717.80 17.17 8 -8 5 721.07 17.48 -8 8 -5 758.34 17.60 8 8 5 719.56 17.04 8 8 6 64.56 2.44 -8 8 -6 74.56 3.45 -8 8 -6 68.02 3.16 8 -8 6 64.23 3.17 8 -8 6 64.98 2.78 -8 8 -6 60.79 3.71 8 8 6 67.84 2.53 -8 8 -7 112.96 4.26 8 8 7 103.56 3.32 -8 8 -7 109.43 4.08 8 -8 7 114.33 3.75 8 8 7 112.92 3.44 8 8 8 814.92 19.24 -8 8 -8 844.21 19.83 -8 8 -8 838.89 19.82 8 -8 8 833.13 19.59 8 8 8 821.15 19.31 8 8 9 164.43 4.62 -8 8 -9 168.39 5.47 -8 8 -9 175.31 5.48 8 -8 9 169.99 5.20 8 8 9 173.44 4.81 -8 8 -10 138.75 4.63 8 8 10 127.59 3.76 8 -8 10 139.75 4.45 8 -8 10 140.22 4.51 -8 8 -10 135.05 4.62 8 8 10 132.44 4.07 8 -8 11 5.28 2.17 -8 8 -11 7.14 2.46 8 -8 11 5.43 2.34 8 -8 11 3.13 1.99 -8 8 -11 5.52 11.20 8 8 11 7.59 2.03 -8 8 -11 6.90 2.35 -8 8 -12 1.54 2.41 8 -8 12 2.49 2.07 8 -8 12 2.09 2.37 8 -8 12 2.61 1.92 -8 8 -12 1.74 11.20 -8 8 -12 2.57 2.32 8 -8 13 52.42 3.15 -8 8 -13 51.72 3.16 8 -8 13 47.43 2.72 8 -8 13 44.71 2.51 -8 8 -13 46.83 2.98 -8 8 -14 112.09 3.85 8 -8 14 100.87 3.71 8 -8 14 111.15 4.19 8 -8 14 96.11 3.44 -8 8 -14 115.66 12.48 -8 8 -14 93.90 3.92 8 -8 15 186.55 5.32 -8 8 -15 176.81 5.25 8 -8 15 179.97 5.10 8 -8 15 173.67 5.37 -8 8 -15 165.10 5.41 -8 8 -16 13.83 2.32 8 -8 16 20.20 2.91 8 -8 16 17.55 2.37 8 -8 16 18.50 2.19 8 -8 16 16.83 2.46 -8 8 -16 14.90 2.53 -8 8 -17 6.25 2.11 8 -8 17 7.82 2.58 8 -8 17 7.23 2.16 8 -8 17 4.60 1.99 8 -8 17 4.72 2.24 -8 8 -18 -2.95 8.27 -8 8 -19 10.91 8.13 8 -8 20 2.62 2.01 8 -8 20 3.19 2.29 -8 8 -20 0.66 7.44 8 -8 20 2.45 1.87 8 -8 20 3.56 1.87 8 -8 21 2.23 1.83 8 -8 21 0.82 2.11 -8 8 -21 3.66 6.95 8 -8 21 -0.35 1.68 8 -8 21 0.31 1.74 8 -8 22 1.91 2.02 8 -8 22 3.96 1.80 8 -8 22 4.57 1.69 8 -8 22 1.38 1.54 -8 8 -22 1.16 6.89 8 -8 23 -0.97 1.71 8 -8 23 0.51 1.93 8 -8 23 -0.22 1.64 -8 8 -23 0.44 6.82 -8 8 -23 0.20 3.01 8 -8 24 5.46 1.62 8 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72.69 3.09 -8 10 2 14.41 2.74 -8 10 2 11.94 2.25 8 10 -2 11.61 2.27 -8 10 2 12.36 2.02 -8 10 1 300.99 8.12 -8 10 1 295.66 7.83 8 -10 -1 286.72 7.63 8 10 -1 305.59 7.64 -8 10 1 301.66 7.53 -8 10 0 228.01 6.77 8 10 0 228.44 6.22 -8 10 0 224.72 6.38 8 -10 0 212.86 6.21 8 10 0 240.40 6.14 -8 10 0 238.32 6.13 -8 10 -1 122.96 4.57 8 10 1 105.96 3.68 -8 10 -1 103.81 3.95 8 -10 1 102.68 3.85 -8 10 -1 116.11 3.82 8 10 1 111.19 3.64 -8 10 -2 24.00 3.38 8 10 2 19.85 2.21 8 -10 2 20.20 2.47 -8 10 -2 19.60 2.51 -8 10 -2 15.61 2.51 8 10 2 17.96 2.16 8 -10 3 15.92 1.77 8 10 3 13.32 2.07 -8 10 -3 19.46 3.19 -8 10 -3 14.84 2.52 8 -10 3 14.88 2.46 -8 10 -3 12.78 2.58 8 10 3 16.01 2.09 -8 10 -4 7.60 3.05 8 10 4 6.51 1.96 8 -10 4 5.00 1.77 -8 10 -4 3.72 2.52 8 -10 4 4.49 2.42 -8 10 -4 5.78 2.78 8 10 4 5.75 2.02 8 10 5 105.32 3.52 -8 10 -5 117.81 4.56 8 -10 5 108.81 3.56 -8 10 -5 104.60 4.20 8 -10 5 107.62 4.12 8 10 5 110.45 3.58 -8 10 -5 117.51 4.39 8 -10 6 13.33 2.09 -8 10 -6 17.60 3.19 8 10 6 11.95 2.00 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12 -5 47.60 3.44 -8 12 5 43.23 2.81 -8 12 4 10.12 3.10 8 12 -4 12.40 2.97 -8 12 4 15.85 2.48 8 12 -4 13.57 2.66 8 12 -3 192.72 5.82 8 -12 -3 170.22 5.90 -8 12 3 184.73 5.95 -8 12 3 191.28 5.61 8 12 -3 185.82 5.44 8 12 -2 93.04 3.89 8 -12 -2 75.32 4.26 -8 12 2 90.22 4.25 -8 12 2 80.42 3.72 8 12 -2 103.28 3.62 8 12 -1 12.62 2.82 -8 12 1 12.00 3.55 -8 12 1 31.08 3.17 8 12 -1 24.51 2.68 8 12 0 335.67 8.67 -8 12 0 327.82 9.17 -8 12 0 323.97 8.84 8 12 0 323.31 8.39 -8 12 -1 38.03 4.04 8 12 1 36.94 3.04 -8 12 -1 35.65 3.32 8 12 2 41.47 2.89 -8 12 -2 46.45 3.90 8 -12 2 29.89 2.85 -8 12 -2 37.52 3.40 8 12 2 33.89 2.66 8 12 3 142.07 4.50 -8 12 -3 142.30 5.36 -8 12 -3 140.02 5.04 8 -12 3 124.72 4.66 8 12 3 139.37 4.33 -8 12 -4 42.84 3.76 8 12 4 46.62 2.86 8 -12 4 43.78 3.20 -8 12 -4 44.20 3.58 -8 12 -4 37.96 3.23 8 12 4 44.24 2.75 -8 12 -5 79.11 4.00 8 -12 5 71.00 3.65 -8 12 -5 69.12 4.01 8 12 5 75.78 3.20 -8 12 -5 68.60 14.29 -8 12 -5 74.75 3.81 8 12 5 74.16 3.16 8 -12 6 35.33 3.14 8 12 6 41.42 2.56 -8 12 -6 41.08 3.49 -8 12 -6 30.97 12.99 -8 12 -6 36.27 3.34 8 12 6 40.55 2.57 -8 12 -7 28.02 12.16 -8 12 -7 25.89 3.29 8 12 7 24.80 2.40 -8 12 -8 84.14 12.19 8 12 8 95.15 3.53 -8 12 -8 98.58 4.51 -8 12 -9 8.15 10.24 -8 12 -9 2.84 3.37 8 12 9 3.57 2.30 -8 12 -10 5.56 3.13 8 -12 10 5.10 2.94 -8 12 -10 8.54 2.88 -8 12 -10 10.12 10.08 8 12 10 9.52 2.46 -8 12 -10 4.10 3.56 8 -12 11 112.04 4.38 -8 12 -11 111.32 4.50 8 -12 11 103.77 4.27 8 -12 11 94.37 4.18 -8 12 -11 108.89 4.21 -8 12 -11 110.77 11.24 -8 12 -11 87.99 5.10 -8 12 -12 3.37 2.74 8 -12 12 3.37 2.57 8 -12 12 -0.03 2.55 8 -12 12 4.52 2.79 -8 12 -12 -0.16 9.09 -8 12 -12 -3.24 3.98 8 -12 13 39.19 2.90 -8 12 -13 37.10 2.83 8 -12 13 33.13 2.84 8 -12 13 34.41 3.16 -8 12 -13 27.57 4.25 -8 12 -14 4.99 2.22 8 -12 14 4.92 2.28 8 -12 14 5.60 2.80 8 -12 14 7.03 2.36 -8 12 -14 12.41 8.17 -8 12 -14 5.67 4.06 -8 12 -15 7.24 2.06 8 -12 15 4.83 2.11 8 -12 15 5.84 2.75 8 -12 15 2.43 2.16 -8 12 -15 7.49 7.54 -8 12 -15 1.99 4.08 -8 12 -16 4.26 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2.24 10 10 -8 41.49 3.27 10 10 -8 46.68 3.10 10 10 -8 40.26 2.97 -10 10 7 35.13 2.32 10 10 -7 37.80 3.11 -10 10 7 32.58 5.46 10 10 -7 48.39 2.99 10 10 -7 40.31 3.69 10 10 -7 40.58 2.75 -10 10 6 13.29 2.07 10 10 -6 16.10 2.62 -10 10 6 8.85 4.63 10 10 -6 14.03 2.25 10 10 -6 14.96 2.58 -10 10 5 26.63 2.11 10 10 -5 27.09 2.63 10 -10 -5 23.71 2.59 -10 10 5 23.41 2.76 -10 10 5 21.74 4.93 10 10 -5 34.03 3.28 10 10 -5 28.69 2.52 10 10 -5 25.32 2.17 -10 10 4 24.85 2.17 -10 10 4 24.88 2.79 10 10 -4 21.14 2.39 10 -10 -4 24.30 2.67 -10 10 4 20.24 4.87 10 10 -4 23.07 2.40 10 10 -4 21.72 1.99 -10 10 3 105.52 3.68 -10 10 3 106.18 4.24 10 -10 -3 95.89 4.07 -10 10 3 85.71 6.51 10 10 -3 106.59 3.71 10 10 -3 93.60 3.25 -10 10 2 398.52 9.88 10 -10 -2 381.78 9.67 -10 10 2 392.11 10.25 10 -10 -2 376.24 10.19 -10 10 2 358.63 13.15 10 10 -2 418.33 9.80 10 -10 -1 8.77 3.10 -10 10 1 13.00 3.30 10 -10 -1 5.75 2.16 -10 10 1 9.14 2.44 10 10 -1 14.42 2.39 10 10 0 195.39 5.56 -10 10 0 194.83 5.80 10 -10 0 189.32 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6.15 3.05 10 12 -16 4.77 2.67 10 12 -16 4.38 3.29 -10 12 15 84.28 3.21 -10 -12 15 79.90 4.13 10 12 -15 72.05 4.31 -10 12 14 12.96 2.22 -10 -12 14 9.41 3.36 -10 12 14 15.64 2.24 10 12 -14 7.71 3.21 10 12 -14 11.53 2.86 -10 12 13 0.10 1.99 -10 -12 13 1.26 3.40 -10 12 13 -0.93 2.06 10 12 -13 2.20 3.02 10 12 -13 -1.48 2.70 -10 12 12 35.63 2.33 -10 12 12 33.36 2.38 -10 12 12 28.49 2.34 10 12 -12 29.94 3.04 10 12 -12 33.22 3.42 10 12 -11 9.19 2.75 10 12 -10 51.59 3.26 10 12 -9 15.76 2.83 10 12 -8 61.15 3.39 -10 12 7 10.28 2.00 10 12 -7 10.85 2.69 -10 12 6 10.40 1.99 -10 12 6 6.97 2.24 10 12 -6 7.47 2.61 -10 12 5 94.55 3.26 10 12 -5 100.77 4.23 -10 12 5 87.77 3.60 10 12 -5 93.73 3.75 10 12 -4 45.12 3.40 -10 12 4 42.86 2.94 10 12 -3 59.55 3.56 -10 12 3 66.57 4.10 -10 12 3 72.57 3.41 10 12 -3 67.95 3.29 10 12 -2 220.38 6.48 -10 12 2 217.30 6.99 -10 12 2 235.60 6.55 10 12 -2 229.84 6.22 10 -12 -1 148.47 5.69 10 12 -1 158.69 5.25 -10 12 1 164.36 6.04 -10 12 1 156.73 5.35 -10 12 0 64.63 4.72 10 12 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7 -10 108.46 3.89 -11 7 10 108.95 3.18 11 7 -10 107.50 3.96 11 7 -10 121.47 5.31 11 7 -10 115.33 3.74 -11 7 9 5.90 1.42 11 7 -9 7.98 2.62 11 7 -9 9.45 2.52 11 7 -9 6.74 3.22 11 7 -9 6.43 2.07 11 7 -8 15.24 2.74 -11 7 8 14.69 1.55 11 7 -8 15.82 2.85 11 -7 -8 15.92 1.71 11 7 -8 20.10 3.07 11 7 -8 15.42 2.10 11 7 -7 5.55 2.81 -11 7 7 4.34 1.45 11 7 -7 3.79 2.85 11 -7 -7 4.12 1.72 11 7 -7 5.50 2.46 11 7 -7 4.47 1.95 11 7 -6 67.96 3.44 11 7 -6 75.78 3.64 11 -7 -6 63.80 2.18 -11 7 6 62.70 2.39 11 -7 -6 63.27 2.72 11 7 -6 67.60 3.05 11 7 -6 72.40 3.06 11 7 -6 63.33 2.71 11 -7 -5 149.19 4.38 11 7 -5 128.35 4.36 11 7 -5 160.29 4.74 -11 7 5 123.43 3.94 11 7 -5 127.26 4.14 11 7 -4 465.06 11.45 -11 7 4 445.93 11.16 11 7 -4 528.62 12.00 11 -7 -4 495.29 11.54 11 7 -4 481.86 11.39 -11 7 4 466.59 11.59 -11 7 4 435.66 11.32 11 7 -4 465.36 11.22 -11 7 3 3.89 1.79 11 -7 -3 4.12 1.75 11 -7 -3 5.46 1.37 -11 7 3 2.05 2.71 11 -7 -3 5.38 2.60 11 7 -3 2.75 1.99 -11 7 3 6.15 1.57 11 7 -3 3.28 1.65 11 7 -3 4.82 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6 70.70 2.75 12 -4 6 71.56 3.30 12 4 6 70.60 3.22 12 4 6 67.79 2.60 12 -4 7 220.99 5.78 12 -4 7 218.41 5.70 12 4 7 222.56 6.33 12 -4 7 229.75 6.45 12 4 7 232.47 5.89 12 -4 7 203.96 5.49 12 -4 7 220.40 5.79 12 4 7 201.43 5.38 12 -4 7 221.90 5.45 12 -4 8 691.15 15.70 12 -4 8 666.49 15.61 12 -4 8 628.53 15.43 12 -4 8 674.29 15.62 12 4 8 630.55 15.38 12 -4 8 694.70 15.45 12 -4 8 649.36 16.25 12 -4 8 653.94 15.56 12 4 8 641.89 16.18 12 4 8 667.01 15.75 12 -4 9 9.99 2.10 12 -4 9 9.86 2.04 12 -4 9 11.60 1.84 12 4 9 7.78 1.51 12 -4 9 6.72 1.83 12 -4 9 5.75 1.62 12 -4 9 14.55 3.14 12 4 9 12.71 2.98 12 -4 9 10.65 1.85 12 4 9 7.61 2.16 12 -4 10 517.48 11.88 12 -4 10 486.13 11.85 12 4 10 471.95 12.57 12 -4 10 477.42 12.65 12 -4 10 477.15 11.84 12 -4 10 475.69 11.71 12 4 10 475.38 11.66 12 -4 10 493.71 11.75 12 -4 10 515.83 11.73 12 -4 11 26.45 1.96 12 -4 11 27.73 2.17 12 -4 11 30.07 2.06 12 -4 11 26.48 2.00 12 -4 11 25.90 1.82 12 4 11 23.60 1.71 12 -4 11 23.77 1.81 12 -4 12 115.18 3.57 12 -4 12 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6 -17 6.12 3.62 -12 6 -17 10.35 10.90 12 6 17 5.58 1.90 12 -6 17 6.47 1.88 12 -6 17 6.88 2.08 12 -6 17 3.90 1.73 12 -6 18 73.02 2.85 12 -6 18 75.70 3.25 12 -6 18 67.12 2.80 12 -6 18 64.03 2.63 12 6 18 64.64 2.77 12 -6 18 67.30 2.96 12 -6 18 69.83 5.00 -12 6 -18 90.00 11.37 -12 -6 -18 93.70 5.40 -12 6 -18 79.63 4.81 12 6 18 70.11 4.70 12 -6 19 102.67 5.48 12 6 19 101.52 5.27 -12 6 -19 131.34 11.31 -12 6 -19 120.56 5.70 -12 -6 -19 128.92 6.27 -12 6 -20 88.08 5.08 12 -6 20 74.29 4.75 -12 -6 -20 101.37 5.64 -12 6 -20 95.93 9.73 12 6 20 74.80 4.54 -12 6 -20 83.28 3.23 12 -6 21 1.50 1.79 12 -6 21 1.09 2.13 12 6 21 -1.68 1.64 12 -6 21 1.97 1.85 12 -6 21 1.28 1.76 12 6 21 4.84 3.26 12 -6 21 2.00 3.47 -12 -6 -21 1.11 4.16 -12 6 -21 9.75 3.69 -12 6 -21 12.23 8.02 -12 -6 -21 1.47 2.36 -12 6 -21 2.29 2.09 12 -6 22 12.66 2.19 12 -6 22 12.38 1.93 12 6 22 10.14 1.70 12 -6 22 9.62 1.83 12 -6 22 11.29 3.44 -12 -6 -22 17.75 4.32 -12 6 -22 19.59 3.83 -12 6 -22 28.05 7.61 12 6 22 11.32 3.29 -12 -6 -22 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13.82 1.65 12 8 -12 22.41 2.71 12 8 -12 17.62 2.67 -12 8 12 17.25 1.74 12 8 -12 11.11 3.99 12 -8 -12 17.30 1.83 12 8 -12 15.85 2.63 12 8 -11 7.39 3.00 -12 8 11 7.14 1.63 -12 8 11 5.45 1.57 12 8 -11 8.54 2.71 12 8 -11 11.84 2.63 12 -8 -11 5.32 1.69 12 8 -11 7.30 2.46 12 8 -10 3.16 2.87 -12 8 10 5.64 1.66 -12 8 10 2.85 1.74 12 8 -10 8.00 2.85 12 8 -10 4.28 2.42 12 8 -9 578.17 14.57 12 8 -9 597.76 14.28 -12 8 9 549.75 13.78 12 8 -9 583.79 14.10 -12 8 8 69.76 2.66 12 8 -8 85.22 4.09 12 8 -8 79.16 4.07 12 8 -8 70.46 3.73 12 8 -8 78.10 3.41 -12 8 7 114.72 3.56 12 8 -7 124.89 4.42 12 8 -7 130.95 4.55 12 -8 -7 119.73 3.76 12 8 -7 127.52 4.27 12 8 -7 126.73 3.94 12 8 -6 23.88 2.95 -12 8 6 19.96 1.78 12 8 -6 30.59 3.28 12 8 -6 22.37 2.44 12 -8 -6 21.54 2.14 -12 8 6 18.83 4.27 12 8 -6 24.00 2.16 12 8 -6 23.87 2.21 -12 8 5 0.64 1.60 12 -8 -5 3.24 1.39 12 8 -5 7.78 3.27 12 8 -5 1.07 2.03 12 -8 -5 3.07 2.01 -12 8 5 -2.00 3.92 12 8 -5 1.89 1.89 12 8 -5 1.48 1.71 -12 8 4 13.35 1.89 12 8 -4 10.82 2.12 12 -8 -4 13.58 2.36 -12 8 4 11.24 4.07 12 8 -4 14.97 1.79 12 8 -4 14.61 2.11 12 8 -3 326.87 9.42 -12 8 3 358.60 8.93 -12 8 3 349.81 9.39 12 -8 -3 367.69 9.28 12 8 -3 383.57 9.05 -12 8 3 321.51 11.63 12 8 -3 374.71 8.94 12 8 -3 363.86 8.77 -12 8 2 30.48 2.31 12 -8 -2 27.59 1.80 12 -8 -2 33.36 2.19 -12 8 2 39.08 3.31 12 -8 -2 33.92 2.98 12 8 -2 31.17 2.26 -12 8 2 29.91 4.48 12 8 -2 34.59 2.35 12 8 -2 32.53 1.87 12 -8 -1 26.54 1.74 -12 8 1 33.17 2.33 12 -8 -1 29.32 2.16 12 8 -1 30.48 2.07 12 -8 -1 28.84 2.82 -12 8 1 31.45 3.21 -12 8 1 23.16 4.22 -12 8 1 24.79 2.08 12 8 -1 30.42 2.23 12 8 -1 30.22 1.69 -12 8 0 67.68 3.00 12 -8 0 61.81 2.46 12 -8 0 63.92 2.82 12 8 0 71.95 2.63 12 -8 0 68.84 3.45 -12 8 0 65.35 3.63 -12 8 0 65.84 5.09 -12 8 0 71.47 2.84 12 8 0 65.60 2.80 12 -8 1 395.25 9.65 12 -8 1 396.93 9.90 -12 8 -1 409.77 10.03 12 8 1 377.14 9.73 -12 8 -1 399.07 10.28 12 -8 1 415.31 10.35 -12 8 -1 365.08 12.43 -12 8 -1 413.22 9.86 12 8 1 406.98 9.73 12 -8 2 554.43 12.93 -12 8 -2 557.02 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3.71 12 10 -8 70.27 4.23 12 10 -8 82.17 3.60 12 10 -7 146.75 4.91 12 10 -7 143.06 4.69 12 10 -7 154.10 5.39 12 10 -7 149.20 4.58 -12 10 6 18.88 2.16 12 -10 -6 17.76 2.39 12 10 -6 23.60 2.80 -12 10 6 19.88 5.23 12 10 -6 17.95 2.35 12 10 -6 22.51 2.77 -12 10 5 4.14 2.00 12 -10 -5 0.79 2.28 12 10 -5 2.83 2.43 -12 10 5 -3.87 4.68 12 10 -5 1.71 1.92 12 10 -5 5.18 2.46 -12 10 4 145.24 4.47 12 -10 -4 140.34 4.73 12 10 -4 153.21 4.68 -12 10 4 132.80 7.75 12 10 -4 143.63 5.20 12 10 -4 157.88 4.63 12 10 -4 140.59 4.25 -12 10 3 34.32 2.74 12 -10 -3 28.41 3.11 -12 10 3 30.13 5.23 -12 10 2 313.44 8.32 -12 10 2 344.52 8.95 12 -10 -2 321.09 8.61 -12 10 2 285.15 11.62 12 10 -2 330.76 8.21 12 10 -2 300.71 8.30 -12 10 1 127.40 4.42 12 -10 -1 117.56 4.08 12 -10 -1 122.48 4.79 -12 10 1 153.69 5.32 -12 10 1 100.99 7.32 12 10 -1 143.23 4.33 -12 10 0 198.79 6.34 12 10 0 201.75 5.50 12 -10 0 190.14 6.04 12 -10 0 187.79 5.50 12 -10 0 189.49 5.13 -12 10 0 199.77 5.81 12 10 0 199.78 5.53 12 -10 1 2.31 1.67 -12 10 -1 6.10 3.29 12 10 1 3.96 2.08 12 -10 1 1.46 2.85 -12 10 -1 3.59 2.66 12 -10 1 1.46 2.17 -12 10 -1 1.50 2.45 12 10 1 8.46 2.39 12 10 2 258.72 6.62 12 -10 2 256.68 7.35 -12 10 -2 256.05 7.45 -12 10 -2 242.17 7.19 12 -10 2 240.82 6.83 12 -10 2 244.10 6.45 -12 10 -2 255.23 6.87 12 10 2 249.60 6.71 -12 10 -3 157.33 5.84 12 10 3 167.76 4.93 12 -10 3 170.32 5.84 -12 10 -3 174.23 5.68 12 -10 3 160.95 5.29 12 -10 3 169.46 4.87 12 10 3 176.13 5.13 12 10 4 35.07 2.33 12 -10 4 37.54 3.43 -12 10 -4 35.14 3.51 12 -10 4 32.88 2.30 -12 10 -4 30.24 3.20 12 -10 4 34.24 2.77 -12 10 -4 31.84 3.35 12 -10 5 115.16 3.81 12 10 5 113.56 3.67 12 -10 5 122.95 4.72 -12 10 -5 106.27 4.65 -12 10 -5 116.08 4.66 12 -10 5 120.89 4.21 -12 10 -5 130.38 4.77 -12 10 -6 16.16 3.11 12 10 6 12.30 1.94 12 -10 6 12.03 2.13 12 -10 6 12.09 2.80 -12 10 -6 11.00 3.04 12 -10 6 10.02 2.47 12 -10 7 156.69 4.75 12 -10 7 153.57 5.14 -12 10 -7 144.79 5.20 12 -10 7 151.60 4.99 -12 10 -7 146.82 5.54 12 -10 8 120.64 4.19 12 -10 8 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14 -4 2 31.49 2.47 14 4 2 29.73 2.41 14 4 2 27.18 1.90 14 -4 2 29.00 1.50 14 4 2 29.42 1.48 14 4 2 25.76 2.02 14 -4 3 953.73 22.13 14 -4 3 953.24 22.23 14 4 3 951.16 21.85 14 -4 3 946.85 22.02 14 -4 3 927.96 22.51 -14 4 -3 990.23 24.14 14 -4 3 969.87 22.57 14 4 3 958.27 22.56 14 4 3 960.20 22.10 14 4 3 922.49 22.47 14 4 3 899.51 21.97 14 -4 3 967.23 21.90 14 4 3 959.17 21.90 14 -4 4 743.23 17.25 14 -4 4 731.12 17.14 14 4 4 696.79 16.93 14 -4 4 736.75 16.96 14 -4 4 779.30 17.39 14 4 4 736.87 16.95 14 4 4 742.97 17.24 -14 4 -4 760.76 19.32 14 4 4 733.67 17.66 14 -4 4 732.59 17.72 14 4 4 732.60 17.72 14 -4 4 736.14 17.71 14 4 4 711.16 17.11 14 -4 4 724.17 16.99 14 4 4 735.08 17.01 14 -4 5 6.46 1.89 14 -4 5 4.61 1.43 14 4 5 2.88 1.28 14 -4 5 4.07 1.36 14 4 5 3.10 1.42 14 -4 5 5.20 2.16 14 4 5 3.63 2.65 14 -4 5 1.35 2.74 -14 4 -5 3.26 3.24 14 4 5 3.57 2.04 14 4 5 7.23 1.95 14 -4 6 60.90 2.61 14 -4 6 55.51 2.17 14 4 6 54.28 2.06 14 -4 6 59.67 2.14 14 -4 6 58.45 2.68 14 4 6 58.33 2.14 14 -4 6 55.76 3.40 14 4 6 55.97 3.30 14 4 6 59.87 2.71 14 -4 7 14.16 2.04 14 4 7 14.10 1.58 14 -4 7 15.74 1.73 14 4 7 15.74 1.50 14 -4 7 16.04 1.58 14 -4 7 13.63 1.97 14 -4 7 15.23 3.03 14 4 7 14.90 2.93 14 4 7 13.24 2.11 14 -4 8 132.58 3.92 14 4 8 117.53 3.48 14 -4 8 119.14 3.59 14 4 8 121.92 3.49 14 -4 8 131.09 3.58 14 -4 8 135.92 3.77 14 -4 8 114.96 4.81 14 -4 8 118.53 3.72 14 4 8 124.79 4.00 14 4 8 103.58 4.65 14 4 9 5.18 1.53 14 -4 9 5.18 1.61 14 -4 9 6.92 1.76 14 -4 9 6.54 1.74 14 -4 9 6.03 2.05 14 -4 9 5.06 2.03 14 -4 9 6.64 1.83 14 4 9 5.38 2.09 14 -4 10 90.64 3.32 14 -4 10 99.88 3.29 14 -4 10 91.92 3.27 14 -4 10 88.54 3.06 14 -4 10 90.62 3.05 14 4 10 88.94 2.96 14 -4 10 96.93 3.07 14 -4 11 24.86 2.01 14 -4 11 24.75 2.22 14 4 11 26.10 3.57 14 -4 11 26.55 3.64 14 -4 11 26.28 2.16 14 -4 11 26.91 2.02 14 -4 11 21.61 1.80 14 4 11 21.88 1.77 14 -4 11 25.85 1.89 14 -4 12 319.96 7.94 14 -4 12 321.44 8.13 14 -4 12 326.08 7.95 14 -4 12 301.05 7.83 14 4 12 303.67 7.87 14 -4 12 320.39 7.96 14 -4 12 332.55 9.47 14 4 12 329.23 9.37 14 -4 12 307.12 8.18 14 -4 13 10.07 1.77 14 -4 13 8.13 2.22 14 -4 13 11.00 2.04 14 4 13 8.47 1.71 14 -4 13 7.42 1.82 14 -4 13 8.97 1.61 14 4 13 9.11 3.46 14 -4 13 5.63 3.66 14 -4 13 5.78 2.16 14 -4 14 6.99 1.74 14 -4 14 7.93 2.36 14 -4 14 7.31 1.95 14 4 14 6.47 1.77 14 -4 14 5.91 1.58 14 -4 14 7.57 1.91 14 4 14 7.96 3.73 14 -4 14 7.97 3.86 14 -4 14 5.47 2.22 14 -4 15 97.18 3.33 14 -4 15 111.10 3.93 14 -4 15 101.43 3.45 14 -4 15 92.57 3.17 14 4 15 101.43 3.46 14 -4 15 107.80 3.60 14 4 15 109.10 5.50 14 -4 15 103.88 5.67 -14 4 -15 117.92 13.47 -14 -4 -15 117.63 6.88 -14 4 -15 117.14 6.28 14 -4 15 92.59 3.95 14 -4 16 117.77 3.82 14 -4 16 131.22 4.30 14 -4 16 137.99 6.49 14 4 16 130.54 6.22 -14 4 -16 155.51 14.12 -14 -4 -16 154.59 7.50 -14 4 -16 147.83 6.76 14 -4 16 118.44 3.92 14 -4 16 108.79 3.64 14 4 16 129.59 4.09 14 -4 16 136.38 4.21 14 -4 17 6.75 1.80 14 -4 17 4.86 2.33 -14 -4 -17 4.03 5.19 14 4 17 6.83 4.00 14 -4 17 9.84 4.35 -14 4 -17 8.77 11.59 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124.77 3.60 14 -6 -7 113.10 4.74 14 6 -7 112.90 4.57 -14 -6 7 102.91 3.97 14 6 -7 121.17 4.44 -14 6 7 103.82 3.90 14 6 -7 115.64 3.70 -14 6 6 16.99 1.65 14 -6 -6 13.71 1.51 14 -6 -6 12.92 1.94 14 6 -6 13.93 2.60 14 6 -6 12.02 2.61 14 -6 -6 11.83 2.76 -14 6 6 17.62 1.99 -14 -6 6 17.65 2.08 14 6 -6 12.47 2.06 -14 6 5 557.81 13.67 14 -6 -5 582.03 13.63 14 6 -5 576.37 14.41 14 -6 -5 581.66 13.88 14 6 -5 597.94 14.41 14 -6 -5 608.03 14.51 -14 -6 5 584.57 14.06 -14 6 5 588.63 14.05 14 6 -5 583.26 13.76 -14 6 4 115.22 3.59 14 6 -4 126.82 4.04 14 -6 -4 114.34 3.56 14 -6 -4 107.97 3.90 14 6 -4 124.62 4.35 14 -6 -4 130.54 4.51 -14 -6 4 131.01 3.93 14 6 -4 120.39 3.76 14 -6 -3 188.51 5.15 14 6 -3 204.50 5.65 14 -6 -3 203.06 5.30 14 -6 -3 194.69 5.61 14 -6 -3 187.58 5.98 14 6 -3 189.98 5.87 14 6 -3 192.42 5.35 14 6 -2 723.52 18.22 14 6 -2 740.51 18.19 14 -6 -2 763.46 17.99 14 6 -2 839.88 18.14 14 -6 -2 774.70 18.36 14 -6 -2 797.50 17.88 14 -6 -2 798.38 18.67 14 6 -2 810.03 18.63 14 6 -2 761.44 18.06 14 -6 -2 757.54 17.93 14 6 -2 768.99 17.91 14 6 -1 25.05 2.44 14 -6 -1 19.99 1.62 14 -6 -1 23.68 2.41 14 -6 -1 20.61 1.38 14 6 -1 18.80 1.76 14 -6 -1 23.65 2.50 14 6 -1 21.93 2.43 14 6 -1 21.58 2.00 14 -6 -1 18.17 1.45 14 6 -1 21.58 1.42 14 6 0 10.60 2.09 14 -6 0 5.24 1.75 14 -6 0 5.65 1.18 14 -6 0 4.31 1.44 14 -6 0 4.75 2.11 14 6 0 4.69 1.46 14 -6 0 5.83 2.19 14 6 0 3.12 1.99 14 6 0 3.30 1.74 14 -6 0 3.22 1.22 14 6 0 5.06 1.15 14 -6 1 258.24 6.59 14 -6 1 252.04 6.36 14 -6 1 257.42 6.80 14 6 1 254.76 6.24 14 -6 1 252.42 6.14 14 -6 1 260.72 7.06 14 6 1 264.49 7.00 14 6 1 244.27 6.39 14 -6 1 248.15 6.21 14 6 1 250.22 6.19 14 -6 2 292.33 7.30 14 6 2 277.27 6.85 14 -6 2 280.19 6.83 14 -6 2 291.35 7.50 14 -6 2 280.73 7.07 14 -6 2 285.16 7.76 14 6 2 287.32 7.72 14 6 2 277.43 7.04 14 -6 2 281.73 6.90 14 -6 3 15.22 2.01 14 -6 3 13.07 1.41 14 -6 3 16.50 2.34 14 -6 3 15.47 1.76 -14 6 -3 13.72 3.45 14 6 3 12.80 1.86 14 -6 4 383.97 9.46 14 -6 4 415.79 9.76 14 -6 4 378.21 9.30 -14 6 -4 338.09 11.50 14 6 4 362.64 9.21 14 -6 5 4.01 2.38 14 -6 5 2.74 1.83 14 -6 5 3.44 2.02 14 6 5 4.91 1.96 14 -6 6 474.05 11.09 14 -6 6 451.61 10.98 14 -6 7 79.81 3.18 14 6 7 70.33 2.47 14 -6 7 74.61 2.55 14 -6 7 77.75 3.13 14 6 7 74.58 3.93 14 -6 7 76.19 4.01 14 6 7 79.62 3.04 14 -6 8 431.09 10.03 14 -6 8 389.42 9.82 14 -6 8 371.73 9.51 14 6 8 379.27 9.49 14 -6 8 412.51 9.56 14 -6 8 417.84 9.91 14 -6 9 43.09 2.66 14 -6 9 35.93 2.08 14 6 9 34.83 1.89 14 -6 9 40.67 2.05 14 -6 9 43.56 2.41 14 -6 9 40.03 2.45 14 -6 10 3.76 2.01 14 -6 10 2.05 1.75 14 6 10 1.62 1.46 14 -6 10 2.05 1.60 14 -6 10 4.33 1.84 14 -6 10 1.07 3.58 14 6 10 0.45 3.33 14 -6 10 0.80 1.96 14 -6 11 7.50 2.04 14 -6 11 7.36 2.33 14 -6 11 7.82 1.87 14 6 11 7.70 1.64 14 -6 11 7.54 1.78 14 -6 11 7.53 1.90 14 6 11 10.93 3.61 14 -6 11 6.32 3.81 14 -6 11 9.31 2.16 14 -6 12 316.89 8.11 14 -6 12 335.00 8.36 14 6 12 343.13 9.59 14 -6 12 337.22 9.72 14 -6 12 318.02 8.34 -14 6 -12 345.94 10.33 14 -6 12 309.42 7.97 14 6 12 283.51 7.86 14 -6 12 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109.80 3.18 16 -6 3 115.28 3.90 16 -6 3 105.62 3.43 -16 6 -3 97.19 5.60 16 6 3 100.71 3.52 16 -6 4 7.11 2.09 16 -6 4 7.15 1.91 16 -6 4 11.38 2.36 16 -6 4 6.97 1.60 -16 6 -4 9.48 3.61 16 6 4 8.14 2.20 16 -6 5 238.30 6.24 16 -6 5 240.59 6.49 16 -6 5 246.19 6.61 16 6 5 243.76 6.53 16 -6 6 182.78 5.19 16 6 6 168.13 4.59 16 -6 6 177.03 5.03 16 -6 6 178.06 5.13 16 6 6 165.93 5.00 16 -6 7 54.78 2.81 16 -6 7 50.18 2.72 16 -6 7 52.52 2.73 16 -6 8 81.12 3.32 16 -6 8 76.57 3.11 16 -6 8 78.34 3.27 16 -6 8 77.33 4.67 16 -6 8 74.65 3.15 16 6 8 80.23 4.56 16 -6 9 8.97 2.38 16 6 9 6.93 1.64 16 -6 9 7.23 1.82 16 -6 9 6.92 2.02 16 -6 9 8.76 2.26 16 6 9 8.81 3.74 16 -6 9 5.27 3.96 16 -6 9 10.71 2.25 16 -6 10 370.27 8.70 16 6 10 366.61 10.01 16 -6 10 365.65 10.20 16 -6 10 343.31 8.73 16 -6 10 314.06 8.24 16 6 10 305.19 8.24 16 -6 10 344.32 8.36 16 -6 10 334.07 8.46 16 -6 10 325.77 8.68 16 -6 11 47.83 2.59 16 -6 11 52.68 4.63 16 6 11 49.45 4.45 16 -6 11 45.23 2.87 16 -6 11 39.79 2.28 16 6 11 35.97 2.17 16 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6.06 16 8 -6 82.41 3.18 16 8 -6 84.46 3.00 16 8 -5 6.68 2.45 -16 8 5 1.80 1.76 16 -8 -5 5.11 1.56 16 8 -5 4.88 2.14 16 -8 -5 4.43 2.02 -16 8 5 4.16 4.19 16 8 -5 1.80 1.70 16 8 -5 3.19 2.15 -16 8 4 37.59 2.27 16 -8 -4 42.35 2.10 16 8 -4 43.76 3.93 16 8 -4 46.41 2.50 16 -8 -4 42.64 2.55 -16 8 4 38.75 5.08 16 8 -4 43.99 2.52 -16 8 3 3.23 1.92 16 -8 -3 3.85 1.73 16 8 -3 1.30 1.85 16 -8 -3 3.52 2.21 -16 8 3 0.14 4.03 16 8 -3 2.55 2.14 -16 8 2 94.24 3.62 16 -8 -2 95.36 3.42 16 -8 -2 100.43 3.91 16 8 -2 104.06 3.45 16 8 -2 101.52 3.66 -16 8 1 201.13 5.93 16 -8 -1 209.24 5.59 16 8 -1 232.80 6.28 16 8 -1 217.27 5.68 16 -8 -1 214.35 6.21 -16 8 1 191.14 8.84 16 8 -1 213.43 5.85 -16 8 0 110.67 3.95 16 -8 0 102.51 3.44 16 8 0 128.30 4.10 16 8 0 107.15 3.42 16 -8 0 113.08 4.20 -16 8 0 87.58 6.26 16 8 0 116.29 3.79 16 -8 1 25.14 1.96 -16 8 -1 27.10 2.57 16 8 1 32.49 2.51 16 -8 1 26.83 2.71 16 8 1 28.34 2.37 -16 8 -2 19.96 2.61 16 -8 2 14.86 2.62 16 -8 2 18.52 1.94 -16 8 -2 18.97 4.34 16 8 2 19.72 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7.58 4.87 20 6 -24 7.62 4.81 20 -6 -24 3.86 5.38 20 6 -24 4.54 1.86 20 -6 -24 2.76 1.99 -20 -6 23 5.46 3.18 20 6 -23 -0.71 2.08 20 6 -23 2.63 2.28 20 6 -23 6.73 5.04 20 6 -23 0.34 4.99 20 -6 -23 2.67 5.45 20 6 -23 -0.20 1.93 20 -6 -23 -2.07 2.11 20 6 -22 28.24 2.49 20 6 -22 28.06 2.58 -20 6 22 27.49 2.63 20 6 -22 19.23 5.56 20 6 -22 7.59 5.31 20 -6 -22 12.49 5.79 20 6 -22 24.71 2.32 20 -6 -22 25.13 2.46 20 6 -21 0.57 2.30 20 6 -21 2.87 2.44 -20 6 21 2.99 2.34 20 6 -21 4.72 5.21 20 6 -21 4.97 5.11 20 -6 -21 5.28 5.42 20 6 -21 1.28 2.17 20 -6 -21 1.66 2.22 20 6 -20 -0.11 4.81 20 -6 -20 -1.19 5.28 20 6 -20 8.91 5.12 20 6 -20 2.19 2.15 20 -6 -20 -0.16 2.22 20 6 -19 15.02 5.18 20 6 -19 9.26 5.07 20 -6 -19 5.93 5.34 20 6 -19 12.49 2.26 20 -6 -19 9.87 2.30 -20 6 18 59.39 2.64 20 6 -18 56.44 2.88 20 6 -18 50.72 2.97 20 6 -18 47.35 5.62 20 6 -18 23.85 5.50 20 -6 -18 30.40 5.93 20 6 -18 48.12 2.77 20 -6 -18 49.08 2.83 20 6 -17 5.69 2.31 20 6 -17 6.16 2.19 -20 6 17 12.58 1.87 20 6 -17 11.80 4.52 20 6 -17 1.89 4.42 20 -6 -17 10.96 4.75 -20 6 17 7.94 1.85 20 6 -16 2.88 2.15 -20 6 16 5.50 1.77 20 6 -16 3.37 4.28 20 6 -16 6.31 4.40 20 -6 -16 6.28 4.54 -20 6 16 3.60 1.67 -20 -6 16 0.97 1.79 -20 6 16 3.12 1.70 20 6 -15 44.28 2.68 -20 6 15 55.28 2.26 20 6 -15 29.03 5.02 20 -6 -15 33.87 5.02 20 6 -15 48.28 4.74 -20 6 15 43.72 2.11 -20 -6 15 37.07 2.34 -20 6 15 48.84 2.34 20 6 -14 57.63 2.87 -20 6 14 59.27 2.25 -20 -6 14 50.65 2.45 -20 6 14 57.53 2.42 20 6 -14 47.75 4.95 20 -6 -14 46.75 4.93 20 6 -14 66.55 4.74 20 6 -13 0.36 2.24 -20 6 13 1.23 1.43 -20 6 13 1.26 1.52 -20 -6 13 0.02 1.52 20 6 -13 -2.56 3.66 20 6 -13 -0.56 3.80 20 -6 -13 -0.16 3.86 20 -6 -13 2.12 1.98 20 6 -12 4.68 2.37 -20 -6 12 6.59 1.51 -20 6 12 6.74 1.46 -20 6 12 4.39 1.57 20 6 -12 3.58 3.74 20 6 -12 6.42 3.86 20 -6 -12 2.79 3.85 20 -6 -12 3.98 2.03 20 6 -11 7.44 2.52 -20 -6 11 8.32 1.50 -20 6 11 9.99 1.47 20 6 -11 2.98 3.70 20 -6 -11 9.01 3.87 -20 6 11 11.01 2.91 20 -6 -11 6.60 2.14 20 6 -10 19.75 2.72 -20 -6 10 19.95 1.63 -20 6 10 23.72 1.58 20 6 -10 21.80 3.82 20 -6 -10 22.97 3.81 -20 -6 10 26.10 3.04 -20 6 10 30.21 3.06 20 6 -10 17.39 2.35 20 -6 -10 22.02 2.27 20 6 -9 26.85 2.91 20 -6 -9 33.38 3.75 20 6 -9 26.51 3.64 -20 -6 9 30.55 2.99 -20 6 9 27.50 2.97 20 6 -9 26.37 2.37 20 -6 -9 25.98 2.31 -20 6 8 54.70 2.29 20 6 -8 59.46 3.43 20 6 -8 54.62 2.59 20 6 -8 62.80 3.92 20 -6 -8 51.22 4.05 -20 -6 8 61.53 3.38 -20 6 8 64.83 3.42 20 6 -8 56.57 2.76 20 -6 -8 58.18 2.80 20 6 -7 30.65 3.46 20 6 -7 25.44 2.19 -20 6 7 23.94 1.84 20 6 -7 21.60 3.33 20 -6 -7 20.52 3.42 -20 -6 7 23.66 2.75 -20 6 7 26.25 2.74 20 6 -7 30.86 2.40 20 -6 -7 26.32 2.28 20 6 -6 163.49 5.66 -20 6 6 141.39 4.20 20 6 -6 142.66 4.37 20 -6 -6 146.16 4.19 20 6 -6 143.33 5.53 20 -6 -6 147.46 5.72 -20 -6 6 165.31 5.20 -20 6 6 156.95 5.17 20 6 -6 154.11 4.46 20 -6 -6 150.83 4.57 20 6 -5 10.10 2.13 20 -6 -5 3.54 1.76 -20 6 5 7.80 4.42 20 -6 -5 2.87 2.94 20 6 -5 1.37 2.84 -20 -6 5 6.40 2.49 -20 6 5 3.64 2.42 20 -6 -5 3.06 2.11 20 6 -5 11.95 2.25 20 6 -4 7.47 3.37 20 6 -4 3.48 1.96 20 -6 -4 4.01 1.72 20 6 -4 2.13 1.86 -20 6 4 2.46 4.06 20 -6 -4 1.24 2.71 20 6 -4 1.43 2.58 20 6 -4 4.84 2.11 20 -6 -4 4.01 1.56 20 6 -4 3.20 1.47 20 6 -3 10.26 2.06 20 -6 -3 7.77 1.85 20 6 -3 8.28 1.79 -20 6 3 4.70 4.16 20 -6 -3 7.72 2.74 20 6 -3 9.96 2.64 20 6 -3 12.81 2.19 20 -6 -3 9.63 1.61 20 6 -3 7.48 1.55 20 6 -2 11.67 2.20 20 -6 -2 9.83 1.94 20 6 -2 9.86 1.71 20 -6 -2 7.86 2.81 20 6 -2 6.42 2.69 20 6 -2 13.81 2.31 20 6 -2 7.91 1.60 20 -6 -2 7.28 1.66 20 6 -1 83.38 3.29 20 -6 -1 84.63 3.16 -20 6 1 70.56 5.64 20 -6 -1 82.35 4.06 20 6 -1 85.37 4.00 20 6 -1 85.42 3.34 20 -6 -1 86.75 2.89 20 6 -1 87.62 2.86 20 -6 0 22.50 1.98 20 6 0 25.72 2.56 20 -6 0 24.12 2.26 20 -6 0 23.71 1.80 20 6 0 23.13 2.98 -20 6 0 21.73 4.50 20 -6 0 21.81 3.00 20 6 0 29.55 2.65 20 -6 0 20.76 1.84 20 6 0 21.32 1.80 20 -6 1 128.42 4.09 20 -6 1 125.49 3.86 20 -6 1 125.77 3.65 -20 6 -1 128.27 6.74 20 -6 1 124.50 4.87 20 6 1 119.50 4.80 20 6 1 114.82 4.20 20 -6 1 125.29 3.72 20 6 1 123.05 3.71 20 -6 2 146.00 4.40 20 -6 2 149.90 4.66 20 -6 2 152.65 4.76 20 -6 2 150.53 4.20 -20 6 -2 134.71 7.23 20 -6 2 141.43 5.40 20 6 2 134.15 4.66 20 -6 3 87.85 3.30 20 -6 3 83.17 3.58 -20 6 -3 82.80 6.04 20 -6 3 94.25 3.72 20 -6 3 90.47 3.12 20 -6 4 117.30 3.92 20 -6 4 116.47 4.14 20 -6 4 128.88 4.31 20 -6 4 118.02 3.71 20 -6 5 100.91 3.89 20 -6 5 100.92 3.67 20 -6 5 100.35 3.45 20 -6 6 68.90 3.31 20 -6 6 68.05 3.07 20 -6 6 74.68 3.20 20 -6 6 68.68 2.87 20 -6 7 228.76 6.45 20 -6 7 233.20 6.60 20 -6 7 232.34 6.60 20 -6 7 238.30 6.39 20 -6 7 227.57 6.23 20 -6 8 408.30 10.15 20 -6 8 383.42 9.98 20 -6 8 387.06 9.80 20 -6 9 12.61 2.62 20 -6 9 12.60 2.17 20 -6 9 12.68 2.34 20 -6 10 77.05 3.41 20 -6 10 75.67 3.18 20 -6 10 76.25 3.37 20 -6 11 39.98 2.72 20 -6 11 41.64 2.86 20 -6 11 40.17 2.65 20 -6 11 46.58 2.94 20 -6 12 24.84 2.72 -20 6 -13 14.41 4.94 -20 -6 -13 13.00 7.05 20 -6 13 8.45 2.53 20 -6 14 1.01 2.11 20 -6 14 2.31 2.39 20 -6 14 1.60 2.60 -20 -6 -14 5.59 6.51 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3.53 22 -2 -3 0.25 2.90 22 2 -3 4.26 2.92 22 2 -3 2.50 1.87 22 -2 -3 3.22 2.11 22 -2 -2 60.27 2.38 22 -2 -2 68.44 3.80 22 2 -2 66.02 3.76 22 2 -2 53.19 2.63 22 -2 -2 59.72 2.82 22 -2 -2 68.98 2.50 22 2 -2 65.12 2.48 22 -2 -1 40.32 2.25 22 -2 -1 39.05 2.03 22 -2 -1 36.28 3.27 22 2 -1 34.82 3.26 -22 2 1 30.09 3.78 22 2 -1 38.08 2.32 22 -2 -1 39.75 2.47 22 -2 -1 39.30 2.08 22 2 -1 35.51 2.06 22 -2 0 107.23 3.57 22 2 0 119.77 3.43 22 -2 0 121.05 3.45 22 -2 0 108.11 4.63 22 2 0 107.34 4.62 22 2 0 110.91 3.74 22 -2 0 110.58 3.77 22 -2 0 111.29 3.46 22 2 0 112.88 3.45 22 -2 1 90.41 3.24 22 2 1 96.07 3.08 22 -2 1 97.44 3.09 22 -2 1 92.00 4.24 22 2 1 92.46 4.28 22 2 1 91.23 3.42 22 -2 1 94.72 3.42 22 -2 1 99.71 3.12 22 2 1 96.83 3.11 22 -2 2 8.10 1.94 22 -2 2 10.59 1.69 22 2 2 9.27 1.69 -22 2 -2 5.04 2.85 22 -2 2 9.26 2.75 22 2 2 9.12 2.74 22 2 2 7.65 2.03 22 -2 2 9.44 1.65 22 2 2 7.67 1.61 22 -2 2 8.21 2.05 22 -2 3 7.85 2.00 22 -2 3 7.61 1.77 22 -2 3 7.22 1.84 22 2 3 7.90 1.75 -22 2 -3 8.61 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22 -2 9 3.79 1.93 22 -2 9 2.94 1.98 22 2 9 2.28 4.02 22 -2 9 4.58 3.98 22 2 9 2.52 1.53 22 2 9 4.34 2.43 22 -2 10 0.87 1.85 22 -2 10 -0.05 1.74 22 2 10 0.04 1.83 22 -2 10 0.07 1.90 22 -2 10 0.90 1.92 22 2 10 0.18 1.72 22 2 10 2.55 3.99 22 -2 10 0.82 4.09 22 2 10 0.09 1.44 22 -2 11 76.78 3.07 22 -2 11 75.31 2.86 22 -2 11 74.46 3.07 22 2 11 77.68 2.93 22 -2 11 80.85 2.99 22 2 11 72.21 2.99 22 2 11 81.10 5.12 22 -2 11 79.89 5.31 22 2 11 76.26 2.63 22 -2 12 97.18 3.51 22 -2 12 89.52 3.19 22 2 12 95.69 3.34 22 -2 12 100.18 3.41 22 2 12 90.12 3.40 22 -2 12 95.20 3.51 22 2 12 106.80 5.67 22 -2 12 106.22 5.77 22 -2 12 92.17 3.84 22 2 12 93.79 3.88 22 -2 13 2.27 1.75 22 2 13 1.64 2.07 22 2 13 3.93 1.90 22 -2 13 3.15 1.98 22 -2 13 2.30 2.15 22 -2 13 2.88 2.15 22 2 13 3.51 4.29 22 -2 13 3.54 4.50 22 -2 13 2.64 2.39 22 2 13 2.33 2.51 22 2 14 103.86 6.09 22 -2 14 103.65 6.24 22 -2 14 93.29 4.06 -22 2 -14 95.84 12.87 22 2 15 16.00 4.83 22 -2 15 10.94 4.93 22 -2 15 7.20 2.63 22 -2 16 2.01 1.72 22 2 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3.06 22 4 -3 12.77 2.94 22 -4 -3 12.99 2.20 22 -4 -3 14.34 1.84 22 4 -3 11.43 1.75 22 -4 -2 82.30 3.08 22 -4 -2 88.19 4.29 22 4 -2 92.03 4.28 -22 4 2 84.21 5.83 22 -4 -2 85.34 3.36 22 -4 -2 89.82 3.02 22 4 -2 85.97 2.96 22 -4 -1 9.02 1.93 22 -4 -1 8.35 1.63 -22 4 1 10.72 4.00 22 -4 -1 10.60 2.96 22 4 -1 11.38 2.87 22 -4 -1 7.41 2.16 22 -4 -1 10.11 1.71 22 4 -1 9.05 1.66 22 -4 0 65.76 2.85 22 -4 0 67.33 2.58 22 -4 0 63.32 3.93 22 4 0 61.98 3.86 22 -4 0 69.88 3.05 22 -4 0 67.15 2.65 22 4 0 63.54 2.60 22 -4 1 128.92 3.91 22 -4 1 123.02 4.05 22 -4 1 126.63 3.77 -22 4 -1 108.75 6.21 22 -4 1 122.93 5.06 22 4 1 118.99 5.01 22 4 1 115.85 4.15 22 -4 1 124.18 4.16 22 -4 1 131.47 3.85 22 4 1 128.75 3.83 22 -4 2 153.39 4.49 22 -4 2 155.46 4.67 22 -4 2 155.95 4.38 -22 4 -2 143.37 6.84 22 -4 2 151.75 5.63 22 4 2 147.01 5.55 22 4 2 151.27 4.82 22 -4 2 148.86 4.74 22 -4 2 157.29 4.42 22 4 2 157.95 4.41 22 -4 3 115.92 3.91 22 -4 3 116.58 3.76 22 -4 3 122.80 3.66 22 4 3 111.30 4.05 -22 4 -3 106.01 5.87 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0.07 1.21 -40 0 11 -0.32 1.54 40 0 -11 1.75 1.32 40 0 -11 1.14 1.18 40 0 -11 -1.59 1.22 -40 0 10 -0.49 1.52 40 0 -10 -1.33 1.20 40 0 -10 -0.01 1.17 -40 0 9 -1.39 1.47 40 0 -9 -1.84 1.19 -40 0 8 2.37 1.47 40 0 -8 1.45 1.17 -40 0 7 0.20 1.46 40 0 -7 -0.17 1.14 -40 0 6 0.56 1.49 40 0 -6 0.34 1.14 40 0 -5 -0.38 1.16 40 0 -4 -0.60 1.17 40 0 -3 -0.21 1.16 40 0 -2 1.48 1.15 40 0 -1 0.24 1.11 -40 -2 15 1.92 1.51 -40 2 15 1.15 1.33 -40 -2 14 0.94 1.58 -40 2 14 0.15 1.39 -40 -2 13 -0.02 1.62 -40 2 13 0.59 1.46 40 -2 -13 0.13 1.18 -40 -2 12 0.12 1.62 -40 2 12 2.65 1.49 40 -2 -12 0.71 1.19 -40 -2 11 1.54 1.63 -40 2 11 1.02 1.46 40 -2 -11 0.68 1.22 -40 -2 10 0.24 1.64 -40 2 10 0.90 1.45 40 -2 -10 0.33 1.20 -40 -2 9 -0.02 1.59 -40 2 9 -0.35 1.41 40 -2 -9 0.01 1.19 -40 -2 8 0.49 1.58 -40 2 8 2.36 1.46 40 -2 -8 1.10 1.20 -40 -2 7 -2.23 1.62 -40 2 7 1.37 1.45 40 -2 -7 -0.26 1.19 40 -2 -7 0.27 1.55 -40 -2 6 0.08 1.60 -40 2 6 -0.40 1.47 40 2 -6 0.15 1.04 40 -2 -6 -1.57 1.20 40 -2 -6 0.65 1.58 -40 -2 5 0.60 1.64 -40 2 5 2.10 1.52 40 2 -5 0.51 1.03 40 -2 -5 1.12 1.18 40 -2 -5 1.43 1.61 -40 -2 4 -0.23 1.68 40 2 -4 -0.83 1.05 40 -2 -4 0.06 1.20 40 -2 -3 -0.66 1.22 40 -2 -2 -0.70 1.22 40 -2 -1 -1.90 1.21 40 -2 0 0.55 1.17 40 -4 -11 0.46 1.06 40 -4 -10 0.48 1.07 40 -4 -9 -0.01 1.12 40 -4 -8 0.60 1.14 40 -4 -7 1.64 1.15 40 -4 -6 1.10 1.16 40 -4 -5 0.60 1.17 40 -4 -4 0.29 1.17 40 -4 -3 4.02 1.20 40 -4 -2 3.09 1.20 -41 -1 12 1.23 1.50 -41 1 12 0.41 1.43 -41 -1 11 0.67 1.54 -41 1 11 0.54 1.44 41 -1 -11 1.40 1.07 -41 -1 10 0.73 1.54 -41 1 10 2.24 1.42 41 -1 -10 0.19 1.05 -41 -1 9 0.49 1.51 -41 1 9 0.44 1.41 41 -1 -9 -0.14 1.03 -41 -1 8 0.08 1.48 -41 1 8 1.64 1.41 41 -1 -8 -0.27 1.05 -41 -1 7 1.98 1.54 -41 1 7 0.95 1.43 41 1 -7 0.78 0.96 41 -1 -7 0.50 1.03 -41 -1 6 1.67 1.55 -41 1 6 -0.18 1.42 41 1 -6 0.57 0.96 41 -1 -6 -0.62 1.01 -41 -1 5 1.19 1.53 -41 1 5 0.29 1.42 41 -1 -5 0.52 1.02 -41 -1 4 2.06 1.52 -41 1 4 1.54 1.47 41 -1 -4 0.14 1.03 -41 -1 3 0.69 1.50 -41 1 3 1.04 1.43 41 -1 -3 0.34 1.04 0 0 0 0.00 0.00 TITL 2024NCS7004a_RC1 in C2/c REM C2/c (#15 in standard setting) CELL 1.54184 34.443236 15.062699 30.213568 90.0000 100.9965 90.0000 ZERR 8.00 0.001128 0.000416 0.001357 0.0000 0.0035 0.0000 LATT 7 SYMM -x, y,-z+1/2 SFAC C H N O Zn I UNIT 624.00 640.00 96.00 48.00 24.00 48.00 REM CrysAlisPro recorded range (K): Min=99.9; max=100.1; aver:100.0 TEMP -173 SIZE 0.07 0.16 0.22 TREF HKLF 4 END _computing_structure_solution 'SHELXT 2014/5 (Sheldrick, 2014)' ; _shelx_hkl_checksum 47561 _olex2_submission_original_sample_id 4_1_96b _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 - Detector area scaling - B-factor correction ; _oxdiff_exptl_absorpt_empirical_full_max 4.658 _oxdiff_exptl_absorpt_empirical_full_min 0.438 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, y, -z+1/2' 'x+1/2, y+1/2, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y, z-1/2' '-x+1/2, -y+1/2, -z' 'x+1/2, -y+1/2, z-1/2' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_site_symmetry_order _atom_site_calc_flag _atom_site_refinement_flags_posn _atom_site_refinement_flags_adp _atom_site_refinement_flags_occupancy _atom_site_disorder_assembly _atom_site_disorder_group I306 I 0.38426(14) 1.2404(4) 0.4420(2) 0.0865(11) Uani 0.69(3) 1 d D . P A 1 I305 I 0.47569(8) 1.1506(2) 0.36317(12) 0.0796(12) Uani 0.69(3) 1 d D . P A 1 I402 I 0.1191(2) -0.2357(4) 0.5750(3) 0.136(2) Uani 0.465 1 d D . P B 1 I403 I 0.37578(15) 0.6567(3) 0.80787(16) 0.1007(11) Uani 0.3989 1 d D . P C 1 I401 I 0.1599(2) -0.0546(8) 0.4717(3) 0.139(2) Uani 0.465 1 d D . P B 1 Zn33 Zn 0.42061(13) 1.1230(3) 0.40616(14) 0.0640(19) Uani 0.69(3) 1 d D . P A 1 I404 I 0.27053(12) 0.7347(3) 0.70923(15) 0.0981(10) Uani 0.3989 1 d D . P C 1 Zn41 Zn 0.1352(4) -0.0866(9) 0.5429(4) 0.103(4) Uani 0.465 1 d D . P B 1 Zn42 Zn 0.3308(2) 0.6377(5) 0.7317(2) 0.0748(16) Uani 0.3989 1 d D . P C 1 N303 N 0.2808(2) 0.0522(5) 0.7251(3) 0.068(2) Uani 1 1 d . . . . . N305 N 0.3791(2) -0.0497(6) 0.8601(3) 0.070(2) Uani 1 1 d . . . . . N304 N 0.3184(3) 0.1796(5) 0.7505(3) 0.072(3) Uani 1 1 d . . . . . N308 N 0.4293(3) 0.7771(6) 0.5612(3) 0.074(2) Uani 1 1 d . . . . . N310 N 0.4819(3) 0.7317(5) 0.5258(3) 0.072(2) Uani 1 1 d . . . . . N312 N 0.4372(3) 1.0237(6) 0.4529(3) 0.071(2) Uani 1 1 d D . . . . N302 N 0.2667(3) 0.1900(6) 0.6863(3) 0.075(3) Uani 1 1 d . . . . . N309 N 0.4637(3) 0.6454(6) 0.5839(4) 0.079(3) Uani 1 1 d . . . . . N311 N 0.5827(3) 0.4882(7) 0.5476(5) 0.095(4) Uani 1 1 d . . . . . C327 C 0.5187(3) 0.6000(6) 0.5513(4) 0.070(3) Uani 1 1 d . . . . . C334 C 0.4496(3) 0.8711(6) 0.5049(4) 0.064(3) Uani 1 1 d . . . . . C307 C 0.3098(3) 0.0940(6) 0.7536(4) 0.068(3) Uani 1 1 d . . . . . C336 C 0.4668(3) 0.9659(7) 0.4495(4) 0.069(3) Uani 1 1 d . . . . . H336 H 0.483435 0.978667 0.428539 0.083 Uiso 1 1 calc R U . . . N306 N 0.3136(4) 0.5028(7) 0.7206(5) 0.111(4) Uani 1 1 d D . . . . C308 C 0.2956(3) 0.2254(7) 0.7165(4) 0.072(3) Uani 1 1 d . . . . . C326 C 0.4540(4) 0.7876(7) 0.5322(4) 0.073(3) Uani 1 1 d . . . . . N301 N 0.1723(3) -0.0300(6) 0.5982(4) 0.099(4) Uani 1 1 d D . . . . C335 C 0.4738(3) 0.8900(7) 0.4749(4) 0.073(3) Uani 1 1 d . . . . . H335 H 0.494929 0.851332 0.471755 0.088 Uiso 1 1 calc R U . . . C311 C 0.3506(3) -0.0892(7) 0.8315(4) 0.080(3) Uani 1 1 d . . . . . H311 H 0.346381 -0.150714 0.835534 0.096 Uiso 1 1 calc R U . . . C325 C 0.4863(3) 0.6610(7) 0.5529(4) 0.070(3) Uani 1 1 d . . . . . C303 C 0.2313(3) 0.0567(7) 0.6587(4) 0.073(3) Uani 1 1 d . . . . . C306 C 0.2603(3) 0.1014(6) 0.6921(4) 0.069(3) Uani 1 1 d . . . . . C309 C 0.3335(3) 0.0437(6) 0.7912(4) 0.065(3) Uani 1 1 d . . . . . C331 C 0.5357(4) 0.5930(8) 0.5133(5) 0.086(4) Uani 1 1 d . . . . . H331 H 0.525556 0.627572 0.487368 0.103 Uiso 1 1 calc R U . . . C324 C 0.4357(3) 0.7033(7) 0.5857(4) 0.073(3) Uani 1 1 d . . . . . C321 C 0.4098(4) 0.6883(8) 0.6181(4) 0.080(3) Uani 1 1 d . . . . . N307 N 0.3596(5) 0.6571(7) 0.6787(5) 0.118(5) Uani 1 1 d D . . . . C316 C 0.3018(4) 0.3216(7) 0.7171(5) 0.086(4) Uani 1 1 d . . . . . C310 C 0.3271(4) -0.0471(7) 0.7967(4) 0.085(4) Uani 1 1 d . . . . . H310 H 0.306902 -0.078039 0.776787 0.102 Uiso 1 1 calc R U . . . C304 C 0.2075(4) 0.1012(7) 0.6232(5) 0.089(4) Uani 1 1 d . . . . . H304 H 0.211036 0.162946 0.619065 0.106 Uiso 1 1 calc R U . . . C330 C 0.5673(4) 0.5367(8) 0.5126(5) 0.085(3) Uani 1 1 d . . . . . H330 H 0.578079 0.532998 0.485978 0.102 Uiso 1 1 calc R U . . . C302 C 0.2230(4) -0.0325(7) 0.6628(5) 0.098(5) Uani 1 1 d . . . . . H302 H 0.237639 -0.066437 0.686836 0.118 Uiso 1 1 calc R U . . . C332 C 0.4164(5) 1.0076(9) 0.4827(6) 0.099(4) Uani 1 1 d . . . . . H332 H 0.397001 1.049835 0.487061 0.119 Uiso 1 1 calc R U . . . C333 C 0.4209(5) 0.9302(10) 0.5096(5) 0.103(5) Uani 1 1 d . . . . . H333 H 0.404098 0.919725 0.530615 0.123 Uiso 1 1 calc R U . . . C305 C 0.1788(4) 0.0558(8) 0.5942(5) 0.098(5) Uani 1 1 d . . . . . H305 H 0.162991 0.087410 0.570158 0.118 Uiso 1 1 calc R U . . . C301 C 0.1939(4) -0.0714(8) 0.6322(6) 0.121(7) Uani 1 1 d . . . . . H301 H 0.188868 -0.132695 0.635897 0.145 Uiso 1 1 calc R U . . . C320 C 0.4171(6) 0.6235(11) 0.6516(6) 0.117(5) Uani 1 1 d . . . . . H320 H 0.440380 0.588518 0.654734 0.140 Uiso 1 1 calc R U . . . C329 C 0.5683(6) 0.4975(13) 0.5851(7) 0.135(7) Uani 1 1 d . . . . . H329 H 0.580663 0.465593 0.611148 0.162 Uiso 1 1 calc R U . . . C315 C 0.2786(5) 0.3780(8) 0.6882(6) 0.121(6) Uani 1 1 d . . . . . H315 H 0.257586 0.355412 0.666038 0.145 Uiso 1 1 calc R U . . . C318 C 0.3371(7) 0.4508(10) 0.7472(8) 0.149(8) Uani 1 1 d . . . . . H318 H 0.359717 0.474732 0.766408 0.179 Uiso 1 1 calc R U . . . C313 C 0.3610(4) 0.0860(9) 0.8221(5) 0.111(6) Uani 1 1 d . . . . . H313 H 0.365267 0.148055 0.820066 0.133 Uiso 1 1 calc R U . . . C314 C 0.2858(6) 0.4689(10) 0.6913(8) 0.135(7) Uani 1 1 d . . . . . H314 H 0.269472 0.507374 0.670783 0.163 Uiso 1 1 calc R U . . . C312 C 0.3825(4) 0.0370(7) 0.8563(5) 0.108(6) Uani 1 1 d . . . . . H312 H 0.400865 0.067244 0.878675 0.129 Uiso 1 1 calc R U . . . C322 C 0.3741(7) 0.7311(11) 0.6147(7) 0.137(7) Uani 1 1 d . . . . . H322 H 0.366128 0.771850 0.590623 0.165 Uiso 1 1 calc R U . . . C317 C 0.3298(6) 0.3618(9) 0.7482(6) 0.130(7) Uani 1 1 d . . . . . H317 H 0.344933 0.326848 0.771419 0.157 Uiso 1 1 calc R U . . . C328 C 0.5366(5) 0.5503(12) 0.5884(6) 0.119(6) Uani 1 1 d . . . . . H328 H 0.526943 0.553012 0.615774 0.143 Uiso 1 1 calc R U . . . C323 C 0.3503(6) 0.7176(10) 0.6437(8) 0.126(6) Uani 1 1 d . . . . . H323 H 0.326328 0.750138 0.640549 0.151 Uiso 1 1 calc R U . . . C319 C 0.3914(6) 0.6095(13) 0.6798(7) 0.127(6) Uani 1 1 d . . . . . H319 H 0.396753 0.562930 0.701366 0.152 Uiso 1 1 calc R U . . . I302 I 0.1125(3) -0.2426(4) 0.5897(4) 0.169(5) Uani 0.4818 1 d D . P B 2 Zn31 Zn 0.1281(4) -0.0970(7) 0.5531(4) 0.094(3) Uani 0.4818 1 d D . P B 2 I301 I 0.1495(2) -0.0827(9) 0.4778(3) 0.163(4) Uani 0.4818 1 d D . P B 2 I304 I 0.25334(13) 0.7190(2) 0.6838(2) 0.192(2) Uani 0.5661 1 d D . P C 2 Zn32 Zn 0.3166(2) 0.6424(4) 0.7171(3) 0.139(3) Uani 0.5661 1 d D . P C 2 I303 I 0.3567(2) 0.6754(3) 0.79672(17) 0.220(3) Uani 0.5661 1 d D . P C 2 I406 I 0.3779(5) 1.2255(11) 0.4464(4) 0.100(3) Uani 0.31(3) 1 d D . P A 2 Zn43 Zn 0.4188(4) 1.1223(6) 0.4062(4) 0.105(8) Uani 0.31(3) 1 d D . P A 2 I405 I 0.4778(3) 1.1495(6) 0.3693(5) 0.161(7) Uani 0.31(3) 1 d D . P A 2 I504 I 0.2392(8) 0.694(2) 0.6461(8) 0.080 Uiso 0.035 1 d D U P C 3 I503 I 0.3426(7) 0.7063(18) 0.7633(8) 0.080 Uiso 0.035 1 d D U P C 3 Zn52 Zn 0.3061(11) 0.648(4) 0.6888(13) 0.080 Uiso 0.035 1 d D U P C 3 I502 I 0.0972(7) -0.2313(17) 0.6032(7) 0.080 Uiso 0.0532 1 d . U P B 3 Zn51 Zn 0.121(2) -0.101(5) 0.5701(18) 0.080 Uiso 0.0532 1 d . U P B 3 I501 I 0.1507(8) -0.0893(16) 0.4959(7) 0.080 Uiso 0.0532 1 d . U P B 3 C2 C 0.3743(13) 0.004(4) 0.6658(19) 0.157(15) Uani 0.2885 1 d D U P . . H2A H 0.374275 0.060404 0.682949 0.188 Uiso 0.2885 1 calc R U P . . H2B H 0.352591 0.007468 0.639210 0.188 Uiso 0.2885 1 calc R U P . . C3 C 0.4139(15) -0.005(4) 0.6500(16) 0.153(15) Uani 0.2885 1 d D U P . . H3A H 0.418198 0.047426 0.631692 0.184 Uiso 0.2885 1 calc R U P . . H3B H 0.413496 -0.058574 0.631063 0.184 Uiso 0.2885 1 calc R U P . . C4 C 0.4476(12) -0.012(3) 0.691(2) 0.152(15) Uani 0.2885 1 d D U P . . H4A H 0.473446 -0.013860 0.681766 0.183 Uiso 0.2885 1 calc R U P . . H4B H 0.447305 0.040549 0.711183 0.183 Uiso 0.2885 1 calc R U P . . C5 C 0.4416(13) -0.097(3) 0.7173(18) 0.155(15) Uani 0.2885 1 d D U P . . H5A H 0.442583 -0.149051 0.697650 0.186 Uiso 0.2885 1 calc R U P . . H5B H 0.463256 -0.102721 0.743903 0.186 Uiso 0.2885 1 calc R U P . . C6 C 0.4019(15) -0.095(4) 0.7329(15) 0.145(14) Uani 0.2885 1 d D U P . . H6A H 0.397359 -0.153962 0.745655 0.174 Uiso 0.2885 1 calc R U P . . H6B H 0.403224 -0.050705 0.757215 0.174 Uiso 0.2885 1 calc R U P . . C7 C 0.3669(12) -0.073(3) 0.6956(16) 0.124(13) Uani 0.2885 1 d D U P . . H7A H 0.343789 -0.059239 0.709359 0.149 Uiso 0.2885 1 calc R U P . . H7B H 0.360223 -0.126474 0.676366 0.149 Uiso 0.2885 1 calc R U P . . 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 I306 0.0859(18) 0.0407(15) 0.122(2) 0.0049(12) -0.0079(11) 0.0052(10) I305 0.0728(16) 0.0836(14) 0.0759(15) -0.0047(9) -0.0024(9) -0.0168(13) I402 0.107(3) 0.053(2) 0.199(4) -0.009(2) -0.098(3) 0.0003(17) I403 0.142(2) 0.0470(13) 0.1006(18) -0.0062(11) -0.0077(17) -0.0085(13) I401 0.070(3) 0.193(6) 0.140(3) -0.081(3) -0.019(2) 0.010(3) Zn33 0.059(3) 0.056(4) 0.067(3) 0.005(2) -0.012(2) -0.001(2) I404 0.102(2) 0.0438(13) 0.150(2) 0.0175(13) 0.0261(17) 0.0131(12) Zn41 0.067(5) 0.076(4) 0.137(6) -0.032(4) -0.053(4) 0.016(3) Zn42 0.091(3) 0.030(2) 0.097(3) 0.0058(19) 0.002(3) -0.006(2) N303 0.064(5) 0.027(4) 0.099(6) -0.003(4) -0.021(4) 0.006(3) N305 0.060(5) 0.047(4) 0.091(6) -0.010(4) -0.016(4) 0.006(4) N304 0.065(5) 0.025(4) 0.113(7) -0.008(4) -0.020(5) 0.005(3) N308 0.072(6) 0.056(5) 0.082(6) 0.005(4) -0.015(5) 0.001(4) N310 0.072(5) 0.043(4) 0.084(6) 0.004(4) -0.026(4) 0.010(4) N312 0.066(5) 0.062(5) 0.078(6) 0.005(4) -0.007(5) 0.006(4) N302 0.074(6) 0.041(4) 0.097(6) 0.004(4) -0.015(5) 0.013(4) N309 0.079(6) 0.047(5) 0.094(7) 0.003(4) -0.023(5) -0.002(4) N311 0.085(7) 0.061(6) 0.117(9) -0.012(6) -0.040(7) 0.011(5) C327 0.061(6) 0.037(5) 0.098(8) 0.001(5) -0.022(6) 0.003(4) C334 0.069(6) 0.042(5) 0.070(6) 0.006(4) -0.015(5) 0.005(4) C307 0.061(6) 0.030(4) 0.100(7) 0.000(4) -0.016(5) 0.007(4) C336 0.058(6) 0.055(6) 0.086(7) 0.007(5) -0.012(5) 0.006(5) N306 0.128(10) 0.032(5) 0.176(13) -0.007(7) 0.037(9) -0.014(6) C308 0.066(6) 0.037(5) 0.104(8) 0.002(5) -0.009(6) 0.004(4) C326 0.076(7) 0.050(6) 0.078(7) 0.012(5) -0.020(6) 0.005(5) N301 0.077(6) 0.050(5) 0.140(9) -0.022(5) -0.051(6) 0.016(4) C335 0.069(6) 0.049(6) 0.086(7) -0.001(5) -0.027(6) 0.010(5) C311 0.076(7) 0.045(5) 0.100(8) -0.003(5) -0.028(6) -0.002(5) C325 0.069(6) 0.045(5) 0.082(7) 0.001(5) -0.021(6) 0.006(5) C303 0.058(6) 0.048(5) 0.101(8) -0.007(5) -0.020(5) 0.013(4) C306 0.064(6) 0.029(4) 0.100(7) -0.005(4) -0.020(5) 0.009(4) C309 0.061(5) 0.027(4) 0.094(7) -0.002(4) -0.019(5) 0.009(4) C331 0.077(7) 0.065(7) 0.099(9) 0.009(6) -0.023(7) 0.014(6) C324 0.076(7) 0.041(5) 0.090(7) 0.005(5) -0.018(6) -0.002(5) C321 0.076(7) 0.055(6) 0.100(8) -0.002(6) -0.010(6) -0.003(5) N307 0.166(13) 0.039(5) 0.175(13) -0.001(7) 0.094(11) -0.014(7) C316 0.087(8) 0.039(6) 0.124(10) 0.001(6) -0.005(7) 0.002(5) C310 0.081(7) 0.044(5) 0.108(9) 0.003(5) -0.036(6) -0.006(5) C304 0.091(8) 0.037(5) 0.117(9) -0.003(6) -0.033(7) 0.003(5) C330 0.067(7) 0.059(7) 0.116(9) 0.008(6) -0.012(6) 0.006(5) C302 0.082(8) 0.040(6) 0.143(11) -0.010(6) -0.054(8) 0.014(5) C332 0.110(10) 0.059(7) 0.128(11) 0.017(7) 0.019(9) 0.040(7) C333 0.113(11) 0.093(10) 0.100(9) 0.030(8) 0.015(8) 0.042(9) C305 0.101(9) 0.056(7) 0.110(9) -0.017(6) -0.051(8) 0.027(6) C301 0.102(10) 0.049(6) 0.171(14) -0.011(8) -0.077(10) 0.009(6) C320 0.128(13) 0.078(10) 0.149(14) 0.025(10) 0.037(12) 0.021(9) C329 0.123(13) 0.126(15) 0.137(14) 0.046(12) -0.024(11) 0.066(12) C315 0.122(11) 0.035(6) 0.178(15) 0.020(7) -0.039(11) 0.014(7) C318 0.19(2) 0.040(7) 0.189(19) 0.007(9) -0.026(16) -0.017(10) C313 0.108(10) 0.052(7) 0.138(12) -0.006(7) -0.065(9) 0.002(6) C314 0.140(15) 0.040(7) 0.21(2) 0.024(10) -0.009(14) 0.022(8) C312 0.113(10) 0.040(6) 0.133(11) -0.002(6) -0.072(9) 0.000(6) C322 0.20(2) 0.068(9) 0.166(17) 0.034(10) 0.076(16) 0.043(11) C317 0.164(16) 0.044(7) 0.154(14) 0.010(8) -0.044(12) -0.033(8) C328 0.121(12) 0.121(13) 0.110(11) 0.043(10) 0.005(9) 0.057(11) C323 0.138(14) 0.059(8) 0.196(19) 0.019(10) 0.070(14) 0.014(9) C319 0.131(14) 0.094(12) 0.166(17) 0.042(11) 0.055(13) 0.002(11) I302 0.144(5) 0.0360(16) 0.282(10) -0.007(3) -0.076(5) -0.0066(19) Zn31 0.069(6) 0.053(3) 0.139(7) -0.033(5) -0.037(5) 0.021(3) I301 0.073(3) 0.239(9) 0.160(5) -0.118(5) -0.023(3) 0.013(3) I304 0.187(4) 0.0552(17) 0.379(7) 0.079(3) 0.165(4) 0.054(2) Zn32 0.187(7) 0.0280(19) 0.227(8) 0.000(4) 0.104(7) -0.007(3) I303 0.394(8) 0.108(3) 0.200(5) -0.075(3) 0.164(5) -0.136(4) I406 0.160(8) 0.039(4) 0.092(3) 0.004(2) 0.004(4) 0.020(4) Zn43 0.125(11) 0.019(5) 0.134(12) 0.001(5) -0.071(8) -0.009(5) I405 0.180(10) 0.114(6) 0.152(7) 0.030(5) -0.059(7) -0.094(7) C2 0.17(3) 0.12(3) 0.19(3) 0.01(2) 0.09(3) 0.01(3) C3 0.19(3) 0.11(3) 0.19(4) 0.01(3) 0.11(3) 0.01(3) C4 0.18(3) 0.11(3) 0.20(4) -0.02(3) 0.12(3) 0.03(3) C5 0.20(3) 0.12(3) 0.18(3) -0.01(3) 0.10(3) 0.03(3) C6 0.19(3) 0.11(3) 0.15(3) -0.02(2) 0.09(2) 0.01(3) C7 0.18(3) 0.08(2) 0.13(3) -0.04(2) 0.09(2) 0.00(2) 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' I I -0.3257 6.8362 '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' Zn Zn -1.5491 0.6778 '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 -1 0 -2 0.0315 1 0 2 0.0569 1 2 -2 0.1210 -1 -1 0 0.0894 -1 0 0 0.0698 1 0 0 0.0893 -1 2 1 0.1350 0 -2 -1 0.0663 2 1 0 0.1365 2 0 -1 0.0883 -1 1 2 0.1092 1 0 -1 0.0766 0 -1 -2 0.0692 -1 0 1 0.0535 0 0 1 0.0277 0 0 -1 0.0457 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 I306 Zn33 I305 125.9(2) . . ? N305 Zn33 I306 108.7(3) 6_565 . ? N305 Zn33 I305 103.2(3) 6_565 . ? N312 Zn33 I306 108.0(4) . . ? N312 Zn33 I305 109.5(4) . . ? N312 Zn33 N305 97.9(4) . 6_565 ? I401 Zn41 I402 129.0(7) . . ? N311 Zn41 I402 101.0(7) 3_445 . ? N311 Zn41 I401 112.5(7) 3_445 . ? N301 Zn41 I402 101.5(5) . . ? N301 Zn41 I401 110.6(7) . . ? N301 Zn41 N311 97.3(7) . 3_445 ? I404 Zn42 I403 120.6(3) . . ? N306 Zn42 I403 110.8(6) . . ? N306 Zn42 I404 108.8(5) . . ? N307 Zn42 I403 112.8(6) . . ? N307 Zn42 I404 101.7(5) . . ? N307 Zn42 N306 100.0(6) . . ? C306 N303 C307 116.3(8) . . ? C311 N305 Zn33 121.5(7) . 6_566 ? C311 N305 C312 117.1(9) . . ? C312 N305 Zn33 121.1(7) . 6_566 ? C307 N304 C308 116.3(8) . . ? C324 N308 C326 113.8(10) . . ? C326 N310 C325 114.7(11) . . ? C336 N312 Zn33 121.7(9) . . ? C336 N312 Zn43 123.0(9) . . ? C332 N312 Zn33 120.1(8) . . ? C332 N312 C336 117.6(10) . . ? C332 N312 Zn43 118.6(9) . . ? C308 N302 C306 114.9(8) . . ? C324 N309 C325 116.1(10) . . ? C330 N311 Zn41 116.9(12) . 3 ? C330 N311 C329 118.0(12) . . ? C330 N311 Zn31 127.7(13) . 3 ? C330 N311 Zn51 145.5(19) . 3 ? C329 N311 Zn41 124.4(9) . 3 ? C329 N311 Zn31 114.2(10) . 3 ? C329 N311 Zn51 96.5(17) . 3 ? C331 C327 C325 121.6(10) . . ? C331 C327 C328 115.7(12) . . ? C328 C327 C325 122.5(13) . . ? C335 C334 C326 121.8(10) . . ? C333 C334 C326 119.6(12) . . ? C333 C334 C335 118.7(11) . . ? N303 C307 C309 119.2(8) . . ? N304 C307 N303 123.8(9) . . ? N304 C307 C309 117.0(9) . . ? N312 C336 H336 118.5 . . ? N312 C336 C335 123.0(12) . . ? C335 C336 H336 118.5 . . ? C318 N306 Zn42 111.2(12) . . ? C318 N306 Zn32 127.4(12) . . ? C318 N306 Zn52 144.7(15) . . ? C314 N306 Zn42 129.7(12) . . ? C314 N306 C318 119.1(13) . . ? C314 N306 Zn32 113.5(11) . . ? C314 N306 Zn52 94.3(13) . . ? N304 C308 C316 115.7(10) . . ? N302 C308 N304 124.4(9) . . ? N302 C308 C316 119.6(10) . . ? N308 C326 C334 116.6(10) . . ? N310 C326 N308 126.3(10) . . ? N310 C326 C334 117.0(12) . . ? C305 N301 Zn41 114.7(9) . . ? C305 N301 Zn31 121.9(8) . . ? C305 N301 Zn51 127(2) . . ? C301 N301 Zn41 127.3(9) . . ? C301 N301 C305 117.2(10) . . ? C301 N301 Zn31 121.0(9) . . ? C301 N301 Zn51 113(2) . . ? C334 C335 H335 120.8 . . ? C336 C335 C334 118.5(11) . . ? C336 C335 H335 120.8 . . ? N305 C311 H311 118.1 . . ? N305 C311 C310 123.9(10) . . ? C310 C311 H311 118.1 . . ? N310 C325 N309 123.5(10) . . ? N310 C325 C327 118.8(12) . . ? N309 C325 C327 117.6(10) . . ? C304 C303 C306 122.9(10) . . ? C302 C303 C306 121.1(10) . . ? C302 C303 C304 115.8(10) . . ? N303 C306 N302 124.3(9) . . ? N303 C306 C303 117.6(9) . . ? N302 C306 C303 118.0(9) . . ? C310 C309 C307 121.0(9) . . ? C313 C309 C307 120.0(9) . . ? C313 C309 C310 118.9(10) . . ? C327 C331 H331 119.5 . . ? C330 C331 C327 121.1(12) . . ? C330 C331 H331 119.5 . . ? N308 C324 C321 116.4(11) . . ? N309 C324 N308 125.4(13) . . ? N309 C324 C321 118.2(10) . . ? C320 C321 C324 123.1(13) . . ? C322 C321 C324 122.0(13) . . ? C322 C321 C320 114.6(15) . . ? C323 N307 Zn42 127.6(12) . . ? C323 N307 Zn32 114.4(13) . . ? C323 N307 Zn52 95(2) . . ? C319 N307 Zn42 115.3(13) . . ? C319 N307 C323 117.0(14) . . ? C319 N307 Zn32 128.0(12) . . ? C319 N307 Zn52 141(2) . . ? C315 C316 C308 122.9(12) . . ? C317 C316 C308 122.3(12) . . ? C317 C316 C315 114.8(12) . . ? C311 C310 C309 117.5(10) . . ? C311 C310 H310 121.2 . . ? C309 C310 H310 121.2 . . ? C303 C304 H304 120.0 . . ? C305 C304 C303 119.9(11) . . ? C305 C304 H304 120.0 . . ? N311 C330 C331 121.9(15) . . ? N311 C330 H330 119.1 . . ? C331 C330 H330 119.1 . . ? C303 C302 H302 120.2 . . ? C301 C302 C303 119.6(11) . . ? C301 C302 H302 120.2 . . ? N312 C332 H332 118.4 . . ? N312 C332 C333 123.2(12) . . ? C333 C332 H332 118.4 . . ? C334 C333 C332 118.9(14) . . ? C334 C333 H333 120.6 . . ? C332 C333 H333 120.6 . . ? N301 C305 C304 123.0(11) . . ? N301 C305 H305 118.5 . . ? C304 C305 H305 118.5 . . ? N301 C301 C302 124.4(13) . . ? N301 C301 H301 117.8 . . ? C302 C301 H301 117.8 . . ? C321 C320 H320 119.4 . . ? C319 C320 C321 121.1(16) . . ? C319 C320 H320 119.4 . . ? N311 C329 H329 118.1 . . ? N311 C329 C328 123.7(14) . . ? N311 C329 Zn51 50.9(15) . 3 ? C328 C329 H329 118.1 . . ? C328 C329 Zn51 173(2) . 3 ? Zn51 C329 H329 67.4 3 . ? C316 C315 H315 120.2 . . ? C316 C315 C314 119.7(15) . . ? C314 C315 H315 120.2 . . ? N306 C318 H318 119.5 . . ? N306 C318 C317 121.0(18) . . ? C317 C318 H318 119.5 . . ? C309 C313 H313 120.9 . . ? C309 C313 C312 118.2(11) . . ? C312 C313 H313 120.9 . . ? N306 C314 C315 122.6(15) . . ? N306 C314 H314 118.7 . . ? C315 C314 H314 118.7 . . ? N305 C312 C313 123.9(11) . . ? N305 C312 H312 118.1 . . ? C313 C312 H312 118.1 . . ? C321 C322 H322 118.8 . . ? C323 C322 C321 122.3(17) . . ? C323 C322 H322 118.8 . . ? C316 C317 C318 122.3(16) . . ? C316 C317 H317 118.9 . . ? C318 C317 H317 118.9 . . ? C327 C328 H328 120.3 . . ? C329 C328 C327 119.5(17) . . ? C329 C328 H328 120.3 . . ? N307 C323 H323 119.2 . . ? C322 C323 N307 121.6(17) . . ? C322 C323 H323 119.2 . . ? N307 C319 C320 122.8(16) . . ? N307 C319 H319 118.6 . . ? C320 C319 H319 118.6 . . ? N311 Zn31 N301 101.7(6) 3_445 . ? N311 Zn31 I302 111.0(7) 3_445 . ? N311 Zn31 I301 103.1(7) 3_445 . ? N301 Zn31 I302 108.6(6) . . ? N301 Zn31 I301 104.1(7) . . ? I301 Zn31 I302 125.6(6) . . ? N306 Zn32 I304 115.7(5) . . ? N306 Zn32 I303 99.6(5) . . ? N307 Zn32 N306 100.5(5) . . ? N307 Zn32 I304 112.9(6) . . ? N307 Zn32 I303 101.0(6) . . ? I304 Zn32 I303 123.7(3) . . ? N305 Zn43 I406 106.7(6) 6_565 . ? N305 Zn43 I405 105.8(6) 6_565 . ? N312 Zn43 N305 99.1(5) . 6_565 ? N312 Zn43 I406 103.8(6) . . ? N312 Zn43 I405 104.5(7) . . ? I405 Zn43 I406 132.3(6) . . ? N306 Zn52 I504 119(2) . . ? N306 Zn52 I503 87.9(15) . . ? N307 Zn52 N306 95.6(17) . . ? N307 Zn52 I504 135(3) . . ? N307 Zn52 I503 77.7(13) . . ? I504 Zn52 I503 127.7(18) . . ? N311 Zn51 N301 105(3) 3_445 . ? N311 Zn51 C329 32.6(11) 3_445 3_445 ? N311 Zn51 I502 117(3) 3_445 . ? N311 Zn51 I501 90(2) 3_445 . ? N301 Zn51 C329 102(3) . 3_445 ? N301 Zn51 I502 125(3) . . ? N301 Zn51 I501 82.6(19) . . ? C329 Zn51 I501 122(3) 3_445 . ? I502 Zn51 I501 129(3) . . ? H2A C2 H2B 107.9 . . ? C3 C2 H2A 109.2 . . ? C3 C2 H2B 109.2 . . ? C7 C2 H2A 109.2 . . ? C7 C2 H2B 109.2 . . ? C7 C2 C3 112(2) . . ? C2 C3 H3A 109.8 . . ? C2 C3 H3B 109.8 . . ? C2 C3 C4 109.2(19) . . ? H3A C3 H3B 108.3 . . ? C4 C3 H3A 109.8 . . ? C4 C3 H3B 109.8 . . ? C3 C4 H4A 110.0 . . ? C3 C4 H4B 110.0 . . ? H4A C4 H4B 108.4 . . ? C5 C4 C3 108.5(19) . . ? C5 C4 H4A 110.0 . . ? C5 C4 H4B 110.0 . . ? C4 C5 H5A 109.4 . . ? C4 C5 H5B 109.4 . . ? H5A C5 H5B 108.0 . . ? C6 C5 C4 111.0(18) . . ? C6 C5 H5A 109.4 . . ? C6 C5 H5B 109.4 . . ? C5 C6 H6A 108.8 . . ? C5 C6 H6B 108.8 . . ? H6A C6 H6B 107.7 . . ? C7 C6 C5 113.9(18) . . ? C7 C6 H6A 108.8 . . ? C7 C6 H6B 108.8 . . ? C2 C7 H7A 108.8 . . ? C2 C7 H7B 108.8 . . ? C6 C7 C2 113.9(19) . . ? C6 C7 H7A 108.8 . . ? C6 C7 H7B 108.8 . . ? H7A C7 H7B 107.7 . . ? 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 I306 Zn33 2.528(5) . ? I305 Zn33 2.530(4) . ? I402 Zn41 2.549(11) . ? I403 Zn42 2.533(7) . ? I401 Zn41 2.507(12) . ? Zn33 N305 2.106(10) 6_565 ? Zn33 N312 2.062(10) . ? I404 Zn42 2.523(7) . ? Zn41 N311 2.16(2) 3_445 ? Zn41 N301 2.082(13) . ? Zn42 N306 2.125(13) . ? Zn42 N307 2.061(15) . ? N303 C307 1.343(12) . ? N303 C306 1.331(12) . ? N305 C311 1.318(13) . ? N305 C312 1.319(14) . ? N304 C307 1.330(12) . ? N304 C308 1.356(13) . ? N308 C326 1.340(16) . ? N308 C324 1.331(14) . ? N310 C326 1.321(15) . ? N310 C325 1.336(14) . ? N312 C336 1.360(14) . ? N312 C332 1.276(18) . ? N312 Zn43 2.064(13) . ? N302 C308 1.329(14) . ? N302 C306 1.369(13) . ? N309 C325 1.349(16) . ? N309 C324 1.308(15) . ? N311 C330 1.313(17) . ? N311 C329 1.33(2) . ? N311 Zn31 2.007(18) 3 ? N311 Zn51 1.91(7) 3 ? C327 C325 1.452(15) . ? C327 C331 1.390(19) . ? C327 C328 1.390(17) . ? C334 C326 1.498(14) . ? C334 C335 1.375(17) . ? C334 C333 1.357(17) . ? C307 C309 1.477(13) . ? C336 H336 0.9500 . ? C336 C335 1.372(15) . ? N306 C318 1.29(2) . ? N306 C314 1.28(2) . ? N306 Zn32 2.109(11) . ? N306 Zn52 2.38(6) . ? C308 C316 1.464(14) . ? N301 C305 1.320(17) . ? N301 C301 1.308(16) . ? N301 Zn31 2.096(13) . ? N301 Zn51 2.11(7) . ? C335 H335 0.9500 . ? C311 H311 0.9500 . ? C311 C310 1.358(15) . ? C303 C306 1.445(14) . ? C303 C304 1.391(15) . ? C303 C302 1.385(16) . ? C309 C310 1.400(14) . ? C309 C313 1.355(15) . ? C331 H331 0.9500 . ? C331 C330 1.381(18) . ? C324 C321 1.462(19) . ? C321 C320 1.40(2) . ? C321 C322 1.38(2) . ? N307 C323 1.38(2) . ? N307 C319 1.30(2) . ? N307 Zn32 2.061(14) . ? N307 Zn52 1.93(5) . ? C316 C315 1.364(17) . ? C316 C317 1.353(19) . ? C310 H310 0.9500 . ? C304 H304 0.9500 . ? C304 C305 1.370(16) . ? C330 H330 0.9500 . ? C302 H302 0.9500 . ? C302 C301 1.360(16) . ? C332 H332 0.9500 . ? C332 C333 1.412(18) . ? C333 H333 0.9500 . ? C305 H305 0.9500 . ? C301 H301 0.9500 . ? C320 H320 0.9500 . ? C320 C319 1.36(2) . ? C329 H329 0.9500 . ? C329 C328 1.37(2) . ? C329 Zn51 2.44(7) 3 ? C315 H315 0.9500 . ? C315 C314 1.39(2) . ? C318 H318 0.9500 . ? C318 C317 1.365(19) . ? C313 H313 0.9500 . ? C313 C312 1.366(17) . ? C314 H314 0.9500 . ? C312 H312 0.9500 . ? C322 H322 0.9500 . ? C322 C323 1.33(2) . ? C317 H317 0.9500 . ? C328 H328 0.9500 . ? C323 H323 0.9500 . ? C319 H319 0.9500 . ? I302 Zn31 2.559(10) . ? Zn31 I301 2.531(11) . ? I304 Zn32 2.502(8) . ? Zn32 I303 2.583(9) . ? I406 Zn43 2.554(11) . ? Zn43 I405 2.530(12) . ? I504 Zn52 2.517(17) . ? I503 Zn52 2.521(17) . ? I502 Zn51 2.41(7) . ? Zn51 I501 2.65(5) . ? C2 H2A 0.9900 . ? C2 H2B 0.9900 . ? C2 C3 1.534(13) . ? C2 C7 1.525(13) . ? C3 H3A 0.9900 . ? C3 H3B 0.9900 . ? C3 C4 1.541(13) . ? C4 H4A 0.9900 . ? C4 H4B 0.9900 . ? C4 C5 1.534(13) . ? C5 H5A 0.9900 . ? C5 H5B 0.9900 . ? C5 C6 1.528(13) . ? C6 H6A 0.9900 . ? C6 H6B 0.9900 . ? C6 C7 1.520(13) . ? C7 H7A 0.9900 . ? C7 H7B 0.9900 . ? 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 Zn33 N305 C311 C310 -169.3(11) 6_566 . . . ? Zn33 N305 C312 C313 168.0(15) 6_566 . . . ? Zn33 N312 C336 C335 -167.7(8) . . . . ? Zn33 N312 C332 C333 166.4(13) . . . . ? Zn41 N311 C330 C331 -174.4(10) 3 . . . ? Zn41 N311 C329 C328 175.1(16) 3 . . . ? Zn41 N301 C305 C304 -168.5(14) . . . . ? Zn41 N301 C301 C302 166.9(15) . . . . ? Zn42 N306 C318 C317 175(2) . . . . ? Zn42 N306 C314 C315 179.4(15) . . . . ? Zn42 N307 C323 C322 171.5(16) . . . . ? Zn42 N307 C319 C320 -169.7(17) . . . . ? N303 C307 C309 C310 2.1(18) . . . . ? N303 C307 C309 C313 -175.3(14) . . . . ? N305 C311 C310 C309 0(2) . . . . ? N304 C307 C309 C310 -178.9(12) . . . . ? N304 C307 C309 C313 3.7(19) . . . . ? N304 C308 C316 C315 -173.0(16) . . . . ? N304 C308 C316 C317 3(2) . . . . ? N308 C324 C321 C320 -168.1(13) . . . . ? N308 C324 C321 C322 18.9(19) . . . . ? N312 C336 C335 C334 0.6(16) . . . . ? N312 C332 C333 C334 2(2) . . . . ? N302 C308 C316 C315 1(2) . . . . ? N302 C308 C316 C317 177.4(16) . . . . ? N309 C324 C321 C320 10.2(18) . . . . ? N309 C324 C321 C322 -162.8(14) . . . . ? N311 C329 C328 C327 -2(3) . . . . ? C327 C331 C330 N311 -0.7(19) . . . . ? C307 N303 C306 N302 -1.0(18) . . . . ? C307 N303 C306 C303 174.8(11) . . . . ? C307 N304 C308 N302 -1.8(19) . . . . ? C307 N304 C308 C316 172.1(12) . . . . ? C307 C309 C310 C311 178.6(12) . . . . ? C307 C309 C313 C312 -179.8(15) . . . . ? C336 N312 C332 C333 -5(2) . . . . ? N306 C318 C317 C316 10(4) . . . . ? C308 N304 C307 N303 0.7(18) . . . . ? C308 N304 C307 C309 -178.3(11) . . . . ? C308 N302 C306 N303 0.1(18) . . . . ? C308 N302 C306 C303 -175.7(11) . . . . ? C308 C316 C315 C314 178.8(17) . . . . ? C308 C316 C317 C318 176(2) . . . . ? C326 N308 C324 N309 1.6(16) . . . . ? C326 N308 C324 C321 179.8(9) . . . . ? C326 N310 C325 N309 1.8(15) . . . . ? C326 N310 C325 C327 -174.4(9) . . . . ? C326 C334 C335 C336 177.1(9) . . . . ? C326 C334 C333 C332 -178.4(13) . . . . ? C335 C334 C326 N308 178.5(10) . . . . ? C335 C334 C326 N310 -1.1(15) . . . . ? C335 C334 C333 C332 2(2) . . . . ? C311 N305 C312 C313 -7(3) . . . . ? C325 N310 C326 N308 -3.6(16) . . . . ? C325 N310 C326 C334 175.9(9) . . . . ? C325 N309 C324 N308 -3.2(16) . . . . ? C325 N309 C324 C321 178.7(9) . . . . ? C325 C327 C331 C330 178.0(11) . . . . ? C325 C327 C328 C329 -176.7(16) . . . . ? C303 C304 C305 N301 0(3) . . . . ? C303 C302 C301 N301 0(3) . . . . ? C306 N303 C307 N304 0.6(18) . . . . ? C306 N303 C307 C309 179.6(11) . . . . ? C306 N302 C308 N304 1.3(18) . . . . ? C306 N302 C308 C316 -172.3(12) . . . . ? C306 C303 C304 C305 -176.1(14) . . . . ? C306 C303 C302 C301 176.2(15) . . . . ? C309 C313 C312 N305 3(3) . . . . ? C331 C327 C325 N310 -23.7(15) . . . . ? C331 C327 C325 N309 159.9(10) . . . . ? C331 C327 C328 C329 -2(2) . . . . ? C324 N308 C326 N310 2.0(16) . . . . ? C324 N308 C326 C334 -177.5(9) . . . . ? C324 N309 C325 N310 1.3(15) . . . . ? C324 N309 C325 C327 177.5(9) . . . . ? C324 C321 C320 C319 -177.4(16) . . . . ? C324 C321 C322 C323 179.7(17) . . . . ? C321 C320 C319 N307 -3(3) . . . . ? C321 C322 C323 N307 -2(3) . . . . ? C316 C315 C314 N306 0(3) . . . . ? C310 C309 C313 C312 3(2) . . . . ? C304 C303 C306 N303 178.6(13) . . . . ? C304 C303 C306 N302 -5.3(19) . . . . ? C304 C303 C302 C301 2(2) . . . . ? C330 N311 C329 C328 4(3) . . . . ? C330 N311 C329 Zn51 179(3) . . . 3 ? C302 C303 C306 N303 4.6(19) . . . . ? C302 C303 C306 N302 -179.3(13) . . . . ? C302 C303 C304 C305 -2(2) . . . . ? C332 N312 C336 C335 3.3(17) . . . . ? C333 C334 C326 N308 -1.5(16) . . . . ? C333 C334 C326 N310 178.9(12) . . . . ? C333 C334 C335 C336 -2.9(16) . . . . ? C305 N301 C301 C302 -2(3) . . . . ? C301 N301 C305 C304 2(3) . . . . ? C320 C321 C322 C323 6(3) . . . . ? C329 N311 C330 C331 -3(2) . . . . ? C315 C316 C317 C318 -7(3) . . . . ? C318 N306 C314 C315 3(3) . . . . ? C313 C309 C310 C311 -4(2) . . . . ? C314 N306 C318 C317 -8(3) . . . . ? C312 N305 C311 C310 5(2) . . . . ? C322 C321 C320 C319 -4(3) . . . . ? C317 C316 C315 C314 2(3) . . . . ? C328 C327 C325 N310 151.1(13) . . . . ? C328 C327 C325 N309 -25.3(17) . . . . ? C328 C327 C331 C330 2.9(19) . . . . ? C323 N307 C319 C320 7(3) . . . . ? C319 N307 C323 C322 -5(3) . . . . ? Zn31 N311 C330 C331 179.9(10) 3 . . . ? Zn31 N311 C329 C328 -178.1(17) 3 . . . ? Zn31 N301 C305 C304 179.9(13) . . . . ? Zn31 N301 C301 C302 180.0(16) . . . . ? Zn32 N306 C318 C317 175.0(17) . . . . ? Zn32 N306 C314 C315 -179.4(17) . . . . ? Zn32 N307 C323 C322 -176.6(17) . . . . ? Zn32 N307 C319 C320 177.6(15) . . . . ? Zn43 N312 C336 C335 -166.4(9) . . . . ? Zn43 N312 C332 C333 165.4(13) . . . . ? Zn52 N306 C318 C317 -167(2) . . . . ? Zn52 N306 C314 C315 171(2) . . . . ? Zn52 N307 C323 C322 -161(2) . . . . ? Zn52 N307 C319 C320 148(2) . . . . ? Zn51 N311 C330 C331 175(4) 3 . . . ? Zn51 N311 C329 C328 -175(3) 3 . . . ? Zn51 N301 C305 C304 160(2) . . . . ? Zn51 N301 C301 C302 -164(2) . . . . ? C2 C3 C4 C5 63(4) . . . . ? C3 C2 C7 C6 48(5) . . . . ? C3 C4 C5 C6 -60(4) . . . . ? C4 C5 C6 C7 51(5) . . . . ? C5 C6 C7 C2 -45(5) . . . . ? C7 C2 C3 C4 -58(5) . . . . ? 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 -1.0005 -0.0000 -1.9981 -0.1083 -0.0176 -0.0512 1.0005 0.0000 1.9981 0.1083 0.0176 0.0512 1.0011 2.0003 -1.9968 -0.1554 -0.0258 0.1675 -1.0008 -1.0002 -0.0006 0.0235 0.0041 -0.1094 -1.0005 0.0001 -0.0003 -0.0106 -0.0381 -0.0227 1.0005 -0.0001 0.0003 0.0106 0.0381 0.0227 -0.9999 2.0008 0.9992 -0.0301 -0.1327 0.1650 -0.0006 -2.0007 -0.9996 0.0195 0.0946 -0.1877 2.0013 1.0001 0.0009 -0.0129 0.0340 0.1320 2.0010 -0.0003 -0.9983 -0.0276 0.0864 0.0311 -1.0001 1.0006 1.9978 0.0529 -0.1008 0.0926 1.0005 -0.0002 -0.9986 -0.0382 0.0483 0.0084 -0.0004 -1.0004 -1.9981 -0.0635 0.0627 -0.1152 -1.0005 0.0002 0.9986 0.0382 -0.0483 -0.0084 0.0000 0.0001 0.9989 0.0488 -0.0102 0.0143 -0.0000 -0.0001 -0.9989 -0.0488 0.0102 -0.0143