data_1 _audit_creation_method 'SHELXL-2014/7' _shelx_SHELXL_version_number '2014/7' _chemical_name_systematic ? _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety 'C91 H59 Cl Fe N4' _chemical_formula_sum 'C91 H59 Cl Fe N4' _chemical_formula_weight 1299.72 _twin_information ; * * * CRYSALIS TWIN DATA REDUCTION FINALIZING (Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)) * * * Laue class: 1bar - Friedel mate is equivalent Lattice type: P-lattice DC PROFFITRRPTWIN INFO: Step 1 - Loading orientation matrices (UB) of 2 components DC PROFFITRRPTWIN INFO: Loading UB component 1 DC PROFFITRRPTWIN INFO: Loading UB component 2 DC PROFFITRRPTWIN INFO: Step 2 - Computing crossed twin laws Twin law determination (relative to component 1) Matrix 1 is taken from component 1 ( 14.276 15.720 21.173 95.65 104.63 109.63) Matrix 2 is taken from component 2 ( 14.300 15.734 21.159 95.55 104.76 109.72) Twin analysis: Component 1 with component 2 TL =UB[1]-1*UB[2]: 0.9942 -0.0050 -0.0060 -0.0160 0.9871 -0.0429 0.0520 0.0874 1.0141 det 0.999105 TL-1=UB[2]*UB[1]-1: 1.0056 0.0045 0.0061 0.0140 1.0093 0.0427 -0.0528 -0.0872 0.9821 det 1.000895 Rot= 3.5180 deg around the following vectors: Reciprocal space (hkl): 0.8559 -0.4795 -0.1938 Direct space (uvw) : 0.9845 -0.1681 0.0495 DC PROFFITRRPTWIN INFO: Step 3 - Loading reflections of 2 components DC PROFFITRRPTWIN ALL INFO: Component 1 DC PROFFITRRPTWIN INFO: Face list of component 1 1: -3.4105 -7.3316 6.9921 d= 0.0434 2: -1.3159 1.8855 12.8581 d= 0.0954 3: -8.8529 6.0594 1.7848 d= 0.0748 4: 0.7692 -1.5169 -12.8189 d= 0.0426 5: 8.8288 -5.9924 -1.1341 d= 0.1087 6: 3.0123 -1.0133 10.9884 d= 0.1136 7: 1.9986 8.9956 -2.9885 d= 0.0663 8: 7.9985 0.9985 -6.0094 d= 0.0932 9: 0.0100 4.9865 10.0030 d= 0.0970 10: -7.9945 0.9961 10.0106 d= 0.0812 11: -4.0007 9.9961 1.0214 d= 0.0661 12: 3.0070 -10.0024 5.9771 d= 0.0951 13: -0.9881 -5.0093 12.9883 d= 0.0932 14: 5.9976 4.9977 -6.0000 d= 0.0588 15: -0.9924 5.9888 8.0071 d= 0.0832 DC PROFFITRRPTWIN ALL INFO: Component 2 DC PROFFITRRPTWIN INFO: Face list of component 2 1: -3.4202 -7.1492 7.6866 d= 0.0434 2: -1.2364 2.4342 12.5334 d= 0.0954 3: -8.8645 6.0681 1.6915 d= 0.0748 4: 0.6885 -2.0681 -12.4981 d= 0.0426 5: 8.8446 -5.9730 -1.0570 d= 0.1087 6: 3.0917 -0.5109 10.7215 d= 0.1136 7: 2.0323 8.9800 -3.8252 d= 0.0663 8: 8.0115 0.8632 -6.4112 d= 0.0932 9: 0.0936 5.4608 9.3888 d= 0.0970 10: -7.9740 1.3211 10.1667 d= 0.0812 11: -3.9718 10.0771 0.3423 d= 0.0661 12: 3.0151 -9.7983 6.5841 d= 0.0951 13: -0.9371 -4.5149 13.2453 d= 0.0932 14: 6.0175 4.8722 -6.6452 d= 0.0588 15: -0.9221 6.3731 7.3940 d= 0.0832 DC PROFFITRRPTWIN INFO: Step 4 - Analysing composite reflections of 2 components Component 1: 55513 observations read Component 2: 55442 observations read 88016 composite observations collected (65218 fully isolated, 22798 overlapped), 100 skipped due to one or more missing parts and 2 skipped due to I/sig<-3.0 OVERLAP STATISTICS 2 COMPONENTS COMPONENTS 1, 2 Overlap factor | # in range | % of all obs -------------- | ---------- | ------------ 0.00 - 0.20 | 11331 | 12.9 <--- ALMOST SEPARATED 0.20 - 0.40 | 5581 | 6.3 0.40 - 0.60 | 3482 | 4.0 0.60 - 0.80 | 1870 | 2.1 0.80 - 1.00 | 534 | 0.6 <--- FULLY OVERLAPPED -------------- | ---------- | ------------ Total | 22798 | 25.9 DC PROFFITRRPTWIN INFO: Step 5 - Scaling data & analysing twin ratios of 2 components Computed twin ratios: Twin 1: 68.92% (21175 common observations, 6263 merged) Twin 2: 31.08% (17231 common observations, 6263 merged) Preparing data for SCALE3 ABSPACK... SCALING COMPONENT 1 49266 of 55435 reflections used for ABSPACK refinement PROFFIT INFO: Inet (after scale3 abspack): min=-112169.2031 max=10128993.0000 PROFFIT INFO: sig(Inet) (after scale3 abspack): min=324.2121 max=72454.9141 SCALING COMPONENT 2 50224 of 55379 reflections used for ABSPACK refinement PROFFIT INFO: Inet (after scale3 abspack): min=-5336180.5000 max=10128993.0000 PROFFIT INFO: sig(Inet) (after scale3 abspack): min=300.9453 max=120607.6563 PROFFIT INFO: 84 observations on 'bad frames' rejected Computed twin ratios: Twin 1: 70.38% (21175 common observations, 6263 merged) Twin 2: 29.62% (17228 common observations, 6263 merged) DC PROFFITRRPTWIN INFO: Determining HKLF4 overlap threshold for completeness requirement (>=80.0%) DC PROFFITRRPTWIN INFO: HKLF4 overlap threshold kept - 0.40 DC PROFFITRRPTWIN INFO: Step 6 - Decomposed intensities statistics (HKLF4) COMPONENT 1 Note: The Rint, Rsigma and RsigmaB values are computed for redundant data only! Mean F2 and F2/sig(F2) are given for all measured values! Note: The RsigmaA values are computed for all measured values! Help: For more information about computations of rint and rsigma please look into Crysalis help: file:__#HELP_DTheoryAlgorithm_DataReductionOutput.html Statistics vs intensity - point group symmetry: P-1 # # # average mean mean intensity measured kept unique redundancy F2 F2/sig(F2) Rint Rsigma -------------------------------------------------------------------------------------------- 9365628- 95892 4820 4820 1580 3.1 326628.43 60.30 0.035 0.038 95862- 44343 5127 5127 1580 3.2 64950.13 17.14 0.048 0.052 44314- 24780 5160 5160 1580 3.3 33109.01 9.74 0.061 0.067 24773- 15112 5127 5127 1580 3.2 19525.52 6.23 0.080 0.087 15108- 9390 4979 4979 1580 3.2 12068.69 4.10 0.112 0.121 9378- 5729 5020 5020 1580 3.2 7380.08 2.59 0.156 0.167 5728- 3409 4920 4920 1580 3.1 4531.92 1.62 0.230 0.245 3408- 1838 4844 4844 1580 3.1 2553.46 0.94 0.357 0.383 1836- 785 4764 4764 1580 3.0 1292.25 0.49 0.565 0.650 785- -10136 4505 4505 1588 2.8 97.33 0.06 0.931 1.896 ------------------------------------------------------------------------------------------ 9365628- -10136 49266 49266 15808 3.1 47024.25 10.34 0.051 0.055 Statistics vs resolution - point group symmetry: P-1 resolu- # # # average mean mean tion(A) measured kept unique redundancy F2 F2/sig(F2) Rint Rsigma RsigmaA ------------------------------------------------------------------------------------------------------ inf-1.74 4742 4742 1580 3.0 252974.68 48.65 0.035 0.038 0.016 1.74-1.38 3567 3567 1580 2.3 64907.32 11.49 0.047 0.049 0.078 1.38-1.20 6110 6110 1580 3.9 42872.05 9.00 0.069 0.076 0.109 1.20-1.09 6393 6393 1580 4.0 38508.00 9.31 0.061 0.068 0.102 1.09-1.02 5603 5603 1580 3.5 23225.12 6.13 0.069 0.076 0.156 1.02-0.96 5290 5290 1580 3.3 16503.09 4.74 0.083 0.093 0.205 0.96-0.91 5000 5000 1580 3.2 13589.29 4.42 0.090 0.098 0.223 0.91-0.87 4693 4693 1580 3.0 9549.62 3.65 0.104 0.112 0.271 0.87-0.84 4291 4291 1580 2.7 6567.89 3.07 0.125 0.132 0.322 0.84-0.81 3577 3577 1588 2.3 5328.31 3.14 0.124 0.129 0.315 ------------------------------------------------------------------------------------------------------ inf-0.81 49266 49266 15808 3.1 47024.25 10.34 0.051 0.055 0.074 Statistics vs resolution (taking redundancy into account) - point group symmetry: P-1 resolu- # # # % average mean mean tion(A) kept theory unique complete redundancy F2 F2/sig(F2) Rint RsigmaB -------------------------------------------------------------------------------------------- inf-1.74 4742 1676 1580 94.3 3.0 252974.68 84.45 0.035 0.010 1.74-1.38 3567 1711 1580 92.3 2.3 64907.32 17.90 0.047 0.051 1.38-1.20 6110 1701 1580 92.9 3.9 42872.05 17.41 0.069 0.060 1.20-1.09 6393 1687 1580 93.7 4.0 38508.00 18.65 0.061 0.052 1.09-1.02 5603 1689 1580 93.5 3.5 23225.12 11.83 0.069 0.083 1.02-0.96 5290 1663 1580 95.0 3.3 16503.09 8.97 0.083 0.115 0.96-0.91 5000 1654 1580 95.5 3.2 13589.29 8.16 0.090 0.128 0.91-0.87 4693 1641 1580 96.3 3.0 9549.62 6.47 0.104 0.159 0.87-0.84 4291 1632 1580 96.8 2.7 6567.89 5.25 0.125 0.198 0.84-0.81 3577 1669 1588 95.1 2.3 5328.31 4.98 0.124 0.202 -------------------------------------------------------------------------------------------- inf-0.81 49266 16723 15808 94.5 3.1 47024.25 18.58 0.051 0.042 DC PROFFITRRPTWIN INFO: Step 7 - Generating output files HKLF 4 Reflections read=55432, from those 49266 with overlapping factor < 0.400 written to file D:\Data\xs0806a\xs0806a_max_twin1_hklf4.hkl, 6166 skipped Use the HKLF 4 file(s) for structure solution. HKLF 5 merged RINT ANALYSIS FOR ALL HKLF5 REFLECTIONS Components measured kept unique redundancy F2/sig(F2) Rint Rsigma ------------------------------------------------------------------------------ 1,2 55432 53816 20302 2.65 10.40 0.044 0.082 RINT ANALYSIS FOR OVERLAPPED REFLECTIONS Components measured kept unique redundancy F2/sig(F2) Rint Rsigma ------------------------------------------------------------------------------ 1,2 22714 21886 8463 2.59 11.80 0.047 0.073 RINT ANALYSIS FOR ISOLATED REFLECTIONS Component measured kept unique redundancy F2/sig(F2) Rint Rsigma ------------------------------------------------------------------------------ 1 32718 31930 11839 2.70 9.57 0.041 0.092 2 0 0 0 0.00 0.00 0.000 0.000 20302 merged reflections saved into file: D:\Data\xs0806a\xs0806a_max_twin1_hklf5.hkl Use this hkl file in SHELXL with BASF instruction, which has (components minus 1) entries, and HKLF 5 instruction. E.g. Two component twin: 'BASF n2' in .ins file, BASF n1 can be computed as n1 = 1.0 - n2. E.g. Three component twin: 'BASF n2 n3' in .ins file, BASF n1 can be computed as n1 = 1.0 - (n2 + n3). BASF 0.29622 ; 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' 'N' 'N' 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Cl' 'Cl' 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Fe' 'Fe' -1.1336 3.1974 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _space_group_crystal_system triclinic _space_group_IT_number 2 _space_group_name_H-M_alt 'P -1' _space_group_name_Hall '-P 1' _shelx_space_group_comment ; The symmetry employed for this shelxl refinement is uniquely defined by the following loop, which should always be used as a source of symmetry information in preference to the above space-group names. They are only intended as comments. ; loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, -y, -z' _cell_length_a 14.2771(3) _cell_length_b 15.7261(5) _cell_length_c 21.1824(6) _cell_angle_alpha 95.674(3) _cell_angle_beta 104.611(2) _cell_angle_gamma 109.640(2) _cell_volume 4245.5(2) _cell_formula_units_Z 2 _cell_measurement_temperature 110(2) _cell_measurement_reflns_used 13941 _cell_measurement_theta_min 4.03 _cell_measurement_theta_max 71.91 _exptl_crystal_description block _exptl_crystal_colour black _exptl_crystal_density_meas ? _exptl_crystal_density_method ? _exptl_crystal_density_diffrn 1.017 _exptl_crystal_F_000 1352 _exptl_transmission_factor_min ? _exptl_transmission_factor_max ? _exptl_crystal_size_max 0.19 _exptl_crystal_size_mid 0.15 _exptl_crystal_size_min 0.12 _exptl_absorpt_coefficient_mu 2.033 _shelx_estimated_absorpt_T_min ? _shelx_estimated_absorpt_T_max ? _exptl_absorpt_correction_type analytical _exptl_absorpt_correction_T_min 0.737 _exptl_absorpt_correction_T_max 0.843 _exptl_absorpt_process_details ; CrysAlisPro, Agilent Technologies, Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET) (compiled Aug 13 2014,18:06:01) Analytical numeric absorption correction using a multifaceted crystal model based on expressions derived by R.C. Clark & J.S. Reid. (Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm. ; _exptl_absorpt_special_details ? _diffrn_ambient_temperature 110(2) _diffrn_radiation_wavelength 1.54178 _diffrn_radiation_type CuK\a _diffrn_radiation_source 'SuperNova (Cu) X-ray Source' _diffrn_radiation_monochromator 'mirror' _diffrn_measurement_device_type 'SuperNova, Dual, Cu at zero, Atlas' _diffrn_measurement_method '\w scans' _diffrn_standards_number '.' _diffrn_standards_interval_time '.' _diffrn_standards_decay_% '.' _diffrn_reflns_number 53816 _diffrn_reflns_av_unetI/netI 0.0750 _diffrn_reflns_av_R_equivalents 0.0439 _diffrn_reflns_limit_h_min -17 _diffrn_reflns_limit_h_max 17 _diffrn_reflns_limit_k_min -19 _diffrn_reflns_limit_k_max 19 _diffrn_reflns_limit_l_min -23 _diffrn_reflns_limit_l_max 26 _diffrn_reflns_theta_min 2.201 _diffrn_reflns_theta_max 71.895 _diffrn_reflns_theta_full 67.679 _diffrn_measured_fraction_theta_max 0.999 _diffrn_measured_fraction_theta_full 1.000 _diffrn_reflns_Laue_measured_fraction_max 0.999 _diffrn_reflns_Laue_measured_fraction_full 1.000 _diffrn_reflns_point_group_measured_fraction_max 0.999 _diffrn_reflns_point_group_measured_fraction_full 1.000 _reflns_number_total 20239 _reflns_number_gt 12718 _reflns_threshold_expression 'I > 2\s(I)' _reflns_Friedel_coverage 0.000 _reflns_Friedel_fraction_max . _reflns_Friedel_fraction_full . _reflns_special_details ; Structure factors included contributions from the .fab file. _reflns_Friedel_fraction is defined as the number of unique Friedel pairs measured divided by the number that would be possible theoretically, ignoring centric projections and systematic absences. ; _computing_data_collection ; CrysAlisPro, Agilent Technologies, Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET) (compiled Aug 2 2013,16:46:58) ; _computing_cell_refinement ; CrysAlisPro, Agilent Technologies, Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET) (compiled Aug 2 2013,16:46:58) ; _computing_data_reduction ; CrysAlisPro, Agilent Technologies, Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET) (compiled Aug 2 2013,16:46:58) ; _computing_structure_solution 'SHELXS-2014/7 (Sheldrick, 2015)' _computing_structure_refinement 'SHELXL-2014/7 (Sheldrick, 2015)' _computing_molecular_graphics 'SHELXTL v6.10 (Sheldrick, 2008)' _computing_publication_material 'SHELXTL v6.10 (Sheldrick, 2008)' _refine_special_details ; Refined as a 2-component twin. ; _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme calc _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0987P)^2^] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment constr _refine_ls_extinction_method none _refine_ls_extinction_coef . _refine_ls_number_reflns 20239 _refine_ls_number_parameters 875 _refine_ls_number_restraints 48 _refine_ls_R_factor_all 0.0840 _refine_ls_R_factor_gt 0.0600 _refine_ls_wR_factor_ref 0.1694 _refine_ls_wR_factor_gt 0.1597 _refine_ls_goodness_of_fit_ref 0.915 _refine_ls_restrained_S_all 0.916 _refine_ls_shift/su_max 0.001 _refine_ls_shift/su_mean 0.000 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 Fe1 Fe 0.20195(4) 0.63731(4) 0.79271(3) 0.03679(14) Uani 1 1 d . . . . . Cl1 Cl 0.28543(7) 0.55721(7) 0.75144(5) 0.0496(2) Uani 1 1 d . . . . . C1 C 0.2200(3) 0.7619(2) 0.70822(16) 0.0386(7) Uani 1 1 d . . . . . C2 C 0.1772(3) 0.7746(2) 0.64248(16) 0.0404(8) Uani 1 1 d . . . . . H2 H 0.2069 0.8249 0.6230 0.049 Uiso 1 1 calc R U . . . C3 C 0.0851(2) 0.7003(2) 0.61303(16) 0.0391(7) Uani 1 1 d . . . . . H3 H 0.0395 0.6901 0.5693 0.047 Uiso 1 1 calc R U . . . C4 C 0.0700(2) 0.6410(2) 0.65970(15) 0.0356(7) Uani 1 1 d . . . . . C5 C -0.0072(2) 0.5555(2) 0.65469(15) 0.0355(7) Uani 1 1 d . . . . . C6 C -0.0046(2) 0.5080(2) 0.70846(15) 0.0338(7) Uani 1 1 d . . . . . C7 C -0.0776(2) 0.4193(2) 0.70709(16) 0.0396(8) Uani 1 1 d . . . . . H7 H -0.1369 0.3824 0.6706 0.047 Uiso 1 1 calc R U . . . C8 C -0.0471(2) 0.3969(2) 0.76744(16) 0.0373(7) Uani 1 1 d . . . . . H8 H -0.0802 0.3409 0.7802 0.045 Uiso 1 1 calc R U . . . C9 C 0.0434(2) 0.4727(2) 0.80772(15) 0.0335(7) Uani 1 1 d . . . . . C10 C 0.0987(2) 0.4821(2) 0.87445(16) 0.0333(6) Uani 1 1 d . . . . . C11 C 0.1875(2) 0.5589(2) 0.91169(15) 0.0316(6) Uani 1 1 d . . . . . C12 C 0.2425(2) 0.5741(2) 0.98000(15) 0.0337(6) Uani 1 1 d . . . . . H12 H 0.2233 0.5357 1.0102 0.040 Uiso 1 1 calc R U . . . C13 C 0.3283(2) 0.6541(2) 0.99479(15) 0.0348(7) Uani 1 1 d . . . . . H13 H 0.3804 0.6805 1.0368 0.042 Uiso 1 1 calc R U . . . C14 C 0.3253(2) 0.6906(2) 0.93534(15) 0.0312(6) Uani 1 1 d . . . . . C15 C 0.4023(2) 0.7707(2) 0.92822(15) 0.0326(6) Uani 1 1 d . . . . . C16 C 0.3916(2) 0.8023(2) 0.86901(16) 0.0335(7) Uani 1 1 d . . . . . C17 C 0.4554(2) 0.8820(2) 0.85044(17) 0.0377(7) Uani 1 1 d . . . . . H17 H 0.5212 0.9260 0.8775 0.045 Uiso 1 1 calc R U . . . C18 C 0.4041(3) 0.8832(2) 0.78662(17) 0.0396(7) Uani 1 1 d . . . . . H18 H 0.4281 0.9280 0.7615 0.047 Uiso 1 1 calc R U . . . C19 C 0.3081(2) 0.8050(2) 0.76465(16) 0.0349(7) Uani 1 1 d . . . . . C20 C -0.0981(2) 0.5122(2) 0.59391(15) 0.0357(7) Uani 1 1 d . . . . . C21 C -0.1732(2) 0.5527(2) 0.57937(16) 0.0396(7) Uani 1 1 d . . . . . C22 C -0.2640(2) 0.5080(3) 0.52600(16) 0.0413(8) Uani 1 1 d . . . . . H22 H -0.3147 0.5355 0.5165 0.050 Uiso 1 1 calc R U . . . C23 C -0.2828(2) 0.4247(3) 0.48639(16) 0.0394(7) Uani 1 1 d . . . . . C24 C -0.2069(2) 0.3873(2) 0.49994(15) 0.0389(7) Uani 1 1 d . . . . . H24 H -0.2178 0.3311 0.4725 0.047 Uiso 1 1 calc R U . . . C25 C -0.1141(2) 0.4301(2) 0.55317(15) 0.0360(7) Uani 1 1 d . . . . . C26 C -0.1618(2) 0.6389(3) 0.62192(18) 0.0433(8) Uani 1 1 d . . . . . C27 C -0.1571(3) 0.6427(3) 0.68807(19) 0.0510(9) Uani 1 1 d . . . . . H27 H -0.1619 0.5896 0.7070 0.061 Uiso 1 1 calc R U . . . C28 C -0.1452(3) 0.7247(3) 0.7270(2) 0.0594(11) Uani 1 1 d . . . . . H28 H -0.1410 0.7272 0.7726 0.071 Uiso 1 1 calc R U . . . C29 C -0.1396(3) 0.8007(3) 0.7011(3) 0.0685(14) Uani 1 1 d . . . . . H29 H -0.1317 0.8559 0.7284 0.082 Uiso 1 1 calc R U . . . C30 C -0.1453(3) 0.7977(3) 0.6341(2) 0.0622(12) Uani 1 1 d . . . . . H30 H -0.1410 0.8510 0.6155 0.075 Uiso 1 1 calc R U . . . C31 C -0.1574(3) 0.7160(3) 0.5946(2) 0.0520(9) Uani 1 1 d . . . . . H31 H -0.1627 0.7132 0.5487 0.062 Uiso 1 1 calc R U . . . C32 C -0.3828(2) 0.3748(2) 0.43238(16) 0.0402(8) Uani 1 1 d . . . . . C33 C -0.3850(3) 0.3324(3) 0.37103(16) 0.0446(8) Uani 1 1 d . . . . . H33 H -0.3213 0.3367 0.3628 0.054 Uiso 1 1 calc R U . . . C34 C -0.4791(3) 0.2836(3) 0.32154(19) 0.0532(10) Uani 1 1 d . . . . . H34 H -0.4796 0.2553 0.2796 0.064 Uiso 1 1 calc R U . . . C35 C -0.5716(3) 0.2766(3) 0.3335(2) 0.0580(11) Uani 1 1 d . . . . . H35 H -0.6361 0.2431 0.2999 0.070 Uiso 1 1 calc R U . . . C36 C -0.5707(3) 0.3178(3) 0.3935(2) 0.0618(12) Uani 1 1 d . . . . . H36 H -0.6348 0.3123 0.4016 0.074 Uiso 1 1 calc R U . . . C37 C -0.4765(3) 0.3681(3) 0.44311(19) 0.0539(10) Uani 1 1 d . . . . . H37 H -0.4767 0.3978 0.4843 0.065 Uiso 1 1 calc R U . . . C38 C -0.0380(3) 0.3831(3) 0.56541(15) 0.0386(7) Uani 1 1 d . . . . . C39 C -0.0738(3) 0.2886(3) 0.56522(18) 0.0493(9) Uani 1 1 d . . . . . H39 H -0.1462 0.2549 0.5568 0.059 Uiso 1 1 calc R U . . . C40 C -0.0038(4) 0.2435(3) 0.5773(2) 0.0660(12) Uani 1 1 d . . . . . H40 H -0.0282 0.1793 0.5769 0.079 Uiso 1 1 calc R U . . . C41 C 0.1028(4) 0.2942(4) 0.5901(2) 0.0706(13) Uani 1 1 d . . . . . H41 H 0.1508 0.2640 0.5988 0.085 Uiso 1 1 calc R U . . . C42 C 0.1385(3) 0.3857(3) 0.5902(2) 0.0570(10) Uani 1 1 d . . . . . H42 H 0.2111 0.4191 0.5990 0.068 Uiso 1 1 calc R U . . . C43 C 0.0686(3) 0.4311(3) 0.57727(17) 0.0450(8) Uani 1 1 d . . . . . H43 H 0.0939 0.4950 0.5766 0.054 Uiso 1 1 calc R U . . . C44 C 0.0641(2) 0.4042(2) 0.90972(15) 0.0352(7) Uani 1 1 d . . . . . C45 C 0.1327(2) 0.3596(2) 0.93279(17) 0.0401(7) Uani 1 1 d . . . . . C46 C 0.1062(3) 0.2959(2) 0.97350(18) 0.0457(9) Uani 1 1 d . . . . . H46 H 0.1534 0.2674 0.9908 0.055 Uiso 1 1 calc R U . . . C47 C 0.0135(3) 0.2733(2) 0.98941(19) 0.0486(9) Uani 1 1 d . . . . . C48 C -0.0566(3) 0.3124(2) 0.96212(17) 0.0445(8) Uani 1 1 d . . . . . H48 H -0.1222 0.2945 0.9704 0.053 Uiso 1 1 calc R U . . . C49 C -0.0330(2) 0.3778(2) 0.92247(16) 0.0380(7) Uani 1 1 d . . . . . C50 C 0.2317(3) 0.3771(2) 0.9162(2) 0.0451(8) Uani 1 1 d . . . . . C51 C 0.2341(3) 0.3770(2) 0.8513(2) 0.0533(10) Uani 1 1 d . . . . . H51 H 0.1726 0.3699 0.8172 0.064 Uiso 1 1 calc R U . . . C52 C 0.3260(4) 0.3874(3) 0.8351(3) 0.0705(13) Uani 1 1 d . . . . . H52 H 0.3278 0.3872 0.7906 0.085 Uiso 1 1 calc R U . . . C53 C 0.4161(3) 0.3980(3) 0.8871(3) 0.0777(16) Uani 1 1 d . . . . . H53 H 0.4793 0.4050 0.8773 0.093 Uiso 1 1 calc R U . . . C54 C 0.4136(3) 0.3982(3) 0.9513(3) 0.0698(13) Uani 1 1 d . . . . . H54 H 0.4749 0.4051 0.9855 0.084 Uiso 1 1 calc R U . . . C55 C 0.3229(3) 0.3886(3) 0.9666(2) 0.0559(10) Uani 1 1 d . . . . . H55 H 0.3220 0.3896 1.0114 0.067 Uiso 1 1 calc R U . . . C56 C -0.0067(3) 0.2110(3) 1.03855(19) 0.0513(9) Uani 1 1 d . U . . . C57 C 0.0254(3) 0.1375(3) 1.0376(2) 0.0618(10) Uani 1 1 d . U . . . H57 H 0.0580 0.1256 1.0056 0.074 Uiso 1 1 calc R U . . . C58 C 0.0096(3) 0.0795(3) 1.0847(2) 0.0698(12) Uani 1 1 d . U . . . H58 H 0.0311 0.0285 1.0844 0.084 Uiso 1 1 calc R U . . . C59 C -0.0366(3) 0.0982(3) 1.1299(2) 0.0684(11) Uani 1 1 d . U . . . H59 H -0.0451 0.0607 1.1621 0.082 Uiso 1 1 calc R U . . . C60 C -0.0724(4) 0.1712(3) 1.1306(2) 0.0708(12) Uani 1 1 d . U . . . H60 H -0.1066 0.1820 1.1619 0.085 Uiso 1 1 calc R U . . . C61 C -0.0563(3) 0.2278(3) 1.0839(2) 0.0580(10) Uani 1 1 d . U . . . H61 H -0.0796 0.2777 1.0834 0.070 Uiso 1 1 calc R U . . . C62 C -0.1143(3) 0.4156(2) 0.89570(16) 0.0394(7) Uani 1 1 d . . . . . C63 C -0.2172(3) 0.3544(2) 0.86479(17) 0.0422(8) Uani 1 1 d . . . . . H63 H -0.2332 0.2901 0.8611 0.051 Uiso 1 1 calc R U . . . C64 C -0.2959(3) 0.3850(3) 0.83954(19) 0.0499(9) Uani 1 1 d . . . . . H64 H -0.3651 0.3419 0.8184 0.060 Uiso 1 1 calc R U . . . C65 C -0.2742(3) 0.4784(3) 0.8449(2) 0.0529(9) Uani 1 1 d . . . . . H65 H -0.3286 0.4996 0.8277 0.063 Uiso 1 1 calc R U . . . C66 C -0.1731(3) 0.5410(3) 0.87519(19) 0.0504(9) Uani 1 1 d . . . . . H66 H -0.1580 0.6052 0.8787 0.060 Uiso 1 1 calc R U . . . C67 C -0.0937(3) 0.5097(2) 0.90061(17) 0.0431(8) Uani 1 1 d . . . . . H67 H -0.0245 0.5529 0.9216 0.052 Uiso 1 1 calc R U . . . C68 C 0.4981(2) 0.8169(2) 0.98652(15) 0.0325(7) Uani 1 1 d . . . . . C69 C 0.4949(2) 0.8660(2) 1.04487(16) 0.0345(7) Uani 1 1 d . . . . . C70 C 0.5827(2) 0.8992(2) 1.10125(16) 0.0372(7) Uani 1 1 d . . . . . H70 H 0.5798 0.9322 1.1403 0.045 Uiso 1 1 calc R U . . . C71 C 0.6743(2) 0.8853(2) 1.10195(17) 0.0388(7) Uani 1 1 d . . . . . C72 C 0.6781(2) 0.8412(2) 1.04352(17) 0.0383(7) Uani 1 1 d . . . . . H72 H 0.7412 0.8340 1.0425 0.046 Uiso 1 1 calc R U . . . C73 C 0.5920(2) 0.8067(2) 0.98556(16) 0.0350(7) Uani 1 1 d . . . . . C74 C 0.4020(2) 0.8853(2) 1.05115(17) 0.0364(7) Uani 1 1 d . . . . . C75 C 0.3485(2) 0.9230(2) 1.00410(18) 0.0399(7) Uani 1 1 d . . . . . H75 H 0.3670 0.9313 0.9645 0.048 Uiso 1 1 calc R U . . . C76 C 0.2693(3) 0.9480(2) 1.0149(2) 0.0493(9) Uani 1 1 d . . . . . H76 H 0.2328 0.9725 0.9823 0.059 Uiso 1 1 calc R U . . . C77 C 0.2420(3) 0.9377(2) 1.0734(2) 0.0500(9) Uani 1 1 d . . . . . H77 H 0.1889 0.9567 1.0815 0.060 Uiso 1 1 calc R U . . . C78 C 0.2941(3) 0.8993(2) 1.1193(2) 0.0495(9) Uani 1 1 d . . . . . H78 H 0.2751 0.8905 1.1588 0.059 Uiso 1 1 calc R U . . . C79 C 0.3726(2) 0.8737(2) 1.10886(17) 0.0405(7) Uani 1 1 d . . . . . H79 H 0.4075 0.8478 1.1412 0.049 Uiso 1 1 calc R U . . . C80 C 0.7631(3) 0.9161(2) 1.16445(18) 0.0447(8) Uani 1 1 d . . . . . C81 C 0.7859(3) 0.9961(3) 1.2100(2) 0.0540(10) Uani 1 1 d . . . . . H81 H 0.7455 1.0331 1.2006 0.065 Uiso 1 1 calc R U . . . C82 C 0.8675(3) 1.0219(3) 1.2693(2) 0.0657(12) Uani 1 1 d . . . . . H82 H 0.8830 1.0768 1.2999 0.079 Uiso 1 1 calc R U . . . C83 C 0.9251(4) 0.9686(4) 1.2835(2) 0.0838(17) Uani 1 1 d . . . . . H83 H 0.9795 0.9856 1.3245 0.101 Uiso 1 1 calc R U . . . C84 C 0.9050(4) 0.8907(3) 1.2389(3) 0.091(2) Uani 1 1 d . . . . . H84 H 0.9469 0.8549 1.2482 0.109 Uiso 1 1 calc R U . . . C85 C 0.8231(3) 0.8639(3) 1.1799(2) 0.0677(13) Uani 1 1 d . . . . . H85 H 0.8083 0.8088 1.1498 0.081 Uiso 1 1 calc R U . . . C86 C 0.6058(2) 0.7596(2) 0.92599(16) 0.0362(7) Uani 1 1 d . . . . . C87 C 0.6934(3) 0.8023(2) 0.90655(18) 0.0425(8) Uani 1 1 d . . . . . H87 H 0.7413 0.8621 0.9301 0.051 Uiso 1 1 calc R U . . . C88 C 0.7120(3) 0.7593(3) 0.85378(19) 0.0470(8) Uani 1 1 d . . . . . H88 H 0.7724 0.7897 0.8414 0.056 Uiso 1 1 calc R U . . . C89 C 0.6441(3) 0.6729(3) 0.81890(19) 0.0462(8) Uani 1 1 d . . . . . H89 H 0.6569 0.6434 0.7824 0.055 Uiso 1 1 calc R U . . . C90 C 0.5564(3) 0.6293(2) 0.83774(19) 0.0467(8) Uani 1 1 d . . . . . H90 H 0.5091 0.5695 0.8141 0.056 Uiso 1 1 calc R U . . . C91 C 0.5375(2) 0.6718(2) 0.89020(17) 0.0406(7) Uani 1 1 d . . . . . H91 H 0.4770 0.6410 0.9024 0.049 Uiso 1 1 calc R U . . . N1 N 0.1532(2) 0.68102(19) 0.71700(13) 0.0374(6) Uani 1 1 d . . . . . N2 N 0.06959(19) 0.54037(18) 0.77052(12) 0.0326(5) Uani 1 1 d . . . . . N3 N 0.23707(18) 0.63158(17) 0.88465(12) 0.0307(5) Uani 1 1 d . . . . . N4 N 0.3029(2) 0.75787(18) 0.81543(13) 0.0362(6) Uani 1 1 d . . . . . 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 Fe1 0.0268(2) 0.0377(3) 0.0332(3) 0.0116(2) 0.00479(19) -0.0015(2) Cl1 0.0407(4) 0.0524(5) 0.0523(5) 0.0106(4) 0.0150(4) 0.0124(4) C1 0.0388(17) 0.0353(17) 0.0354(17) 0.0126(14) 0.0091(14) 0.0063(14) C2 0.0405(17) 0.0425(19) 0.0362(18) 0.0148(15) 0.0120(14) 0.0108(15) C3 0.0365(16) 0.050(2) 0.0298(16) 0.0139(14) 0.0078(13) 0.0145(15) C4 0.0303(15) 0.0439(19) 0.0271(15) 0.0081(13) 0.0060(12) 0.0091(14) C5 0.0304(15) 0.0419(18) 0.0279(15) 0.0046(13) 0.0067(12) 0.0082(13) C6 0.0265(14) 0.0380(17) 0.0291(15) 0.0049(13) 0.0057(12) 0.0050(13) C7 0.0307(15) 0.0406(18) 0.0290(16) -0.0020(14) 0.0037(12) -0.0028(13) C8 0.0335(16) 0.0325(16) 0.0332(17) 0.0012(13) 0.0076(13) 0.0000(13) C9 0.0279(14) 0.0310(16) 0.0342(16) 0.0069(13) 0.0098(12) 0.0017(12) C10 0.0291(14) 0.0279(15) 0.0373(16) 0.0090(13) 0.0089(12) 0.0042(12) C11 0.0312(14) 0.0235(14) 0.0352(16) 0.0091(12) 0.0098(12) 0.0036(12) C12 0.0331(15) 0.0273(15) 0.0352(16) 0.0088(13) 0.0075(12) 0.0061(12) C13 0.0314(15) 0.0314(16) 0.0325(16) 0.0084(13) 0.0035(12) 0.0048(12) C14 0.0254(14) 0.0282(15) 0.0291(15) 0.0053(12) 0.0019(11) 0.0013(12) C15 0.0280(14) 0.0272(15) 0.0340(16) 0.0051(12) 0.0060(12) 0.0028(12) C16 0.0261(14) 0.0283(15) 0.0352(17) 0.0072(13) 0.0046(12) 0.0001(12) C17 0.0324(15) 0.0286(16) 0.0406(18) 0.0089(13) 0.0075(13) -0.0003(12) C18 0.0411(17) 0.0293(16) 0.0391(18) 0.0107(13) 0.0088(14) 0.0033(13) C19 0.0342(16) 0.0309(16) 0.0342(17) 0.0120(13) 0.0092(13) 0.0051(13) C20 0.0287(15) 0.0432(18) 0.0289(15) 0.0059(13) 0.0052(12) 0.0087(13) C21 0.0310(16) 0.046(2) 0.0379(17) 0.0060(15) 0.0089(13) 0.0118(14) C22 0.0315(16) 0.049(2) 0.0377(18) 0.0061(15) 0.0055(13) 0.0126(15) C23 0.0312(16) 0.050(2) 0.0307(16) 0.0057(15) 0.0062(13) 0.0103(14) C24 0.0347(16) 0.047(2) 0.0274(16) 0.0032(14) 0.0048(13) 0.0107(14) C25 0.0303(15) 0.0436(19) 0.0298(16) 0.0063(14) 0.0065(12) 0.0107(14) C26 0.0291(16) 0.044(2) 0.047(2) -0.0022(16) 0.0051(14) 0.0092(14) C27 0.0331(17) 0.059(2) 0.052(2) -0.0035(18) 0.0089(15) 0.0139(16) C28 0.0342(19) 0.069(3) 0.060(3) -0.015(2) 0.0083(17) 0.0131(18) C29 0.037(2) 0.059(3) 0.093(4) -0.020(3) 0.012(2) 0.0133(19) C30 0.038(2) 0.048(2) 0.088(3) 0.003(2) 0.008(2) 0.0119(17) C31 0.0367(18) 0.049(2) 0.062(3) 0.0039(19) 0.0081(17) 0.0138(16) C32 0.0326(16) 0.048(2) 0.0345(17) 0.0059(15) 0.0046(13) 0.0132(15) C33 0.0360(17) 0.059(2) 0.0329(17) 0.0062(16) 0.0044(14) 0.0160(16) C34 0.046(2) 0.067(3) 0.0368(19) 0.0043(18) 0.0017(16) 0.0184(19) C35 0.0339(18) 0.069(3) 0.049(2) 0.000(2) -0.0069(16) 0.0096(18) C36 0.0274(17) 0.080(3) 0.062(3) -0.002(2) 0.0027(17) 0.0133(19) C37 0.0331(18) 0.073(3) 0.043(2) -0.0030(19) 0.0082(15) 0.0112(18) C38 0.0356(16) 0.048(2) 0.0294(16) 0.0056(14) 0.0054(13) 0.0155(15) C39 0.0433(19) 0.051(2) 0.048(2) 0.0085(17) 0.0085(16) 0.0152(17) C40 0.069(3) 0.058(3) 0.077(3) 0.020(2) 0.018(2) 0.034(2) C41 0.061(3) 0.075(3) 0.087(4) 0.022(3) 0.015(2) 0.043(3) C42 0.044(2) 0.073(3) 0.056(2) 0.010(2) 0.0107(18) 0.028(2) C43 0.0346(17) 0.057(2) 0.0408(19) 0.0079(16) 0.0078(14) 0.0169(16) C44 0.0319(15) 0.0262(14) 0.0347(16) 0.0096(13) 0.0041(12) -0.0015(12) C45 0.0335(16) 0.0277(15) 0.0471(19) 0.0106(14) 0.0069(14) -0.0001(12) C46 0.0399(18) 0.0308(16) 0.054(2) 0.0175(16) 0.0027(15) 0.0035(14) C47 0.0395(18) 0.0390(19) 0.050(2) 0.0169(16) 0.0060(16) -0.0032(14) C48 0.0376(17) 0.0381(18) 0.0412(19) 0.0118(15) 0.0067(14) -0.0037(14) C49 0.0373(16) 0.0306(16) 0.0329(16) 0.0060(13) 0.0087(13) -0.0021(13) C50 0.0395(18) 0.0258(15) 0.065(2) 0.0128(16) 0.0142(16) 0.0067(13) C51 0.049(2) 0.0364(19) 0.080(3) 0.0176(19) 0.025(2) 0.0173(16) C52 0.077(3) 0.053(3) 0.109(4) 0.037(3) 0.054(3) 0.033(2) C53 0.050(2) 0.051(3) 0.157(5) 0.048(3) 0.053(3) 0.027(2) C54 0.046(2) 0.052(2) 0.113(4) 0.035(3) 0.021(2) 0.0175(19) C55 0.0377(19) 0.041(2) 0.081(3) 0.023(2) 0.0105(18) 0.0086(16) C56 0.0387(18) 0.0458(19) 0.048(2) 0.0145(16) 0.0025(15) -0.0033(14) C57 0.0363(19) 0.054(2) 0.085(3) 0.032(2) 0.0102(18) 0.0053(16) C58 0.040(2) 0.077(3) 0.071(3) 0.039(2) 0.0037(18) -0.0004(18) C59 0.058(2) 0.057(2) 0.063(3) 0.026(2) -0.0038(19) 0.0005(18) C60 0.072(3) 0.060(2) 0.054(2) 0.018(2) 0.015(2) -0.0070(19) C61 0.060(2) 0.046(2) 0.051(2) 0.0146(17) 0.0121(18) 0.0018(17) C62 0.0394(17) 0.0372(17) 0.0352(17) 0.0082(14) 0.0139(14) 0.0044(14) C63 0.0404(18) 0.0364(18) 0.0439(19) 0.0093(15) 0.0148(15) 0.0052(14) C64 0.0387(18) 0.053(2) 0.053(2) 0.0122(18) 0.0144(16) 0.0106(16) C65 0.054(2) 0.050(2) 0.059(2) 0.0164(19) 0.0190(19) 0.0217(18) C66 0.059(2) 0.043(2) 0.057(2) 0.0181(18) 0.0290(19) 0.0181(17) C67 0.0455(19) 0.0357(18) 0.0436(19) 0.0066(15) 0.0213(15) 0.0047(14) C68 0.0240(13) 0.0268(14) 0.0360(17) 0.0090(12) 0.0019(12) 0.0010(11) C69 0.0282(14) 0.0297(15) 0.0368(17) 0.0100(13) 0.0055(12) 0.0023(12) C70 0.0349(16) 0.0305(16) 0.0340(17) 0.0049(13) 0.0046(13) 0.0020(13) C71 0.0284(15) 0.0286(15) 0.0439(19) 0.0086(14) 0.0006(13) -0.0010(12) C72 0.0277(14) 0.0321(16) 0.0432(19) 0.0058(14) 0.0033(13) 0.0026(12) C73 0.0301(15) 0.0264(14) 0.0405(18) 0.0081(13) 0.0065(13) 0.0034(12) C74 0.0282(14) 0.0270(15) 0.0421(19) 0.0056(13) 0.0058(13) -0.0003(12) C75 0.0362(16) 0.0295(16) 0.045(2) 0.0062(14) 0.0059(14) 0.0067(13) C76 0.0351(17) 0.0377(18) 0.061(2) 0.0068(17) 0.0003(16) 0.0071(14) C77 0.0355(17) 0.0388(19) 0.065(3) 0.0045(17) 0.0113(17) 0.0059(15) C78 0.0447(19) 0.0385(19) 0.060(2) 0.0103(17) 0.0211(18) 0.0049(15) C79 0.0354(16) 0.0316(16) 0.046(2) 0.0062(14) 0.0096(14) 0.0041(13) C80 0.0354(17) 0.0374(18) 0.044(2) 0.0071(15) -0.0006(15) 0.0019(14) C81 0.041(2) 0.050(2) 0.054(2) -0.0027(18) -0.0002(17) 0.0113(17) C82 0.045(2) 0.070(3) 0.053(3) -0.016(2) -0.0066(19) 0.008(2) C83 0.065(3) 0.080(4) 0.066(3) 0.004(3) -0.028(2) 0.016(3) C84 0.083(4) 0.055(3) 0.093(4) -0.001(3) -0.042(3) 0.027(3) C85 0.063(3) 0.042(2) 0.068(3) 0.000(2) -0.021(2) 0.0151(19) C86 0.0281(14) 0.0326(16) 0.0420(18) 0.0069(14) 0.0040(13) 0.0090(12) C87 0.0344(16) 0.0352(17) 0.051(2) 0.0060(15) 0.0108(15) 0.0065(13) C88 0.0400(18) 0.045(2) 0.054(2) 0.0073(17) 0.0162(16) 0.0118(15) C89 0.0396(18) 0.048(2) 0.050(2) 0.0034(17) 0.0116(16) 0.0185(16) C90 0.0367(17) 0.0380(18) 0.054(2) 0.0006(16) 0.0031(15) 0.0105(15) C91 0.0305(15) 0.0348(17) 0.049(2) 0.0053(15) 0.0068(14) 0.0080(13) N1 0.0328(13) 0.0345(14) 0.0333(14) 0.0095(11) 0.0045(11) 0.0015(11) N2 0.0296(12) 0.0337(14) 0.0283(13) 0.0073(11) 0.0075(10) 0.0049(11) N3 0.0251(11) 0.0250(12) 0.0341(14) 0.0090(10) 0.0074(10) 0.0002(9) N4 0.0357(14) 0.0328(14) 0.0337(14) 0.0128(11) 0.0079(11) 0.0054(11) _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; 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 Fe1 N1 1.872(3) . ? Fe1 N4 1.880(3) . ? Fe1 N2 1.895(3) . ? Fe1 N3 1.904(2) . ? Fe1 Cl1 2.2559(11) . ? C1 N1 1.372(4) . ? C1 C19 1.407(4) . ? C1 C2 1.435(4) . ? C2 C3 1.376(5) . ? C2 H2 0.9500 . ? C3 C4 1.432(4) . ? C3 H3 0.9500 . ? C4 N1 1.379(4) . ? C4 C5 1.395(4) . ? C5 C6 1.423(4) . ? C5 C20 1.482(4) . ? C6 N2 1.383(4) . ? C6 C7 1.425(4) . ? C7 C8 1.364(4) . ? C7 H7 0.9500 . ? C8 C9 1.424(4) . ? C8 H8 0.9500 . ? C9 N2 1.392(4) . ? C9 C10 1.400(4) . ? C10 C11 1.402(4) . ? C10 C44 1.504(4) . ? C11 N3 1.388(3) . ? C11 C12 1.414(4) . ? C12 C13 1.370(4) . ? C12 H12 0.9500 . ? C13 C14 1.431(4) . ? C13 H13 0.9500 . ? C14 N3 1.391(4) . ? C14 C15 1.417(4) . ? C15 C16 1.386(4) . ? C15 C68 1.492(4) . ? C16 N4 1.380(4) . ? C16 C17 1.438(4) . ? C17 C18 1.371(4) . ? C17 H17 0.9500 . ? C18 C19 1.428(4) . ? C18 H18 0.9500 . ? C19 N4 1.368(4) . ? C20 C25 1.396(5) . ? C20 C21 1.407(4) . ? C21 C22 1.395(4) . ? C21 C26 1.487(5) . ? C22 C23 1.388(5) . ? C22 H22 0.9500 . ? C23 C24 1.381(5) . ? C23 C32 1.486(4) . ? C24 C25 1.407(4) . ? C24 H24 0.9500 . ? C25 C38 1.492(4) . ? C26 C27 1.380(5) . ? C26 C31 1.384(5) . ? C27 C28 1.395(5) . ? C27 H27 0.9500 . ? C28 C29 1.348(6) . ? C28 H28 0.9500 . ? C29 C30 1.397(6) . ? C29 H29 0.9500 . ? C30 C31 1.396(5) . ? C30 H30 0.9500 . ? C31 H31 0.9500 . ? C32 C37 1.384(5) . ? C32 C33 1.389(5) . ? C33 C34 1.389(5) . ? C33 H33 0.9500 . ? C34 C35 1.378(5) . ? C34 H34 0.9500 . ? C35 C36 1.363(6) . ? C35 H35 0.9500 . ? C36 C37 1.395(5) . ? C36 H36 0.9500 . ? C37 H37 0.9500 . ? C38 C43 1.395(5) . ? C38 C39 1.399(5) . ? C39 C40 1.397(5) . ? C39 H39 0.9500 . ? C40 C41 1.399(6) . ? C40 H40 0.9500 . ? C41 C42 1.355(6) . ? C41 H41 0.9500 . ? C42 C43 1.400(5) . ? C42 H42 0.9500 . ? C43 H43 0.9500 . ? C44 C45 1.407(4) . ? C44 C49 1.412(4) . ? C45 C46 1.403(4) . ? C45 C50 1.485(5) . ? C46 C47 1.386(5) . ? C46 H46 0.9500 . ? C47 C48 1.381(5) . ? C47 C56 1.513(5) . ? C48 C49 1.399(4) . ? C48 H48 0.9500 . ? C49 C62 1.490(5) . ? C50 C51 1.384(5) . ? C50 C55 1.404(5) . ? C51 C52 1.399(5) . ? C51 H51 0.9500 . ? C52 C53 1.413(7) . ? C52 H52 0.9500 . ? C53 C54 1.370(7) . ? C53 H53 0.9500 . ? C54 C55 1.376(6) . ? C54 H54 0.9500 . ? C55 H55 0.9500 . ? C56 C57 1.379(6) . ? C56 C61 1.383(6) . ? C57 C58 1.428(5) . ? C57 H57 0.9500 . ? C58 C59 1.353(7) . ? C58 H58 0.9500 . ? C59 C60 1.406(7) . ? C59 H59 0.9500 . ? C60 C61 1.407(5) . ? C60 H60 0.9500 . ? C61 H61 0.9500 . ? C62 C67 1.396(5) . ? C62 C63 1.397(4) . ? C63 C64 1.374(5) . ? C63 H63 0.9500 . ? C64 C65 1.382(5) . ? C64 H64 0.9500 . ? C65 C66 1.385(5) . ? C65 H65 0.9500 . ? C66 C67 1.393(5) . ? C66 H66 0.9500 . ? C67 H67 0.9500 . ? C68 C73 1.407(4) . ? C68 C69 1.410(5) . ? C69 C70 1.397(4) . ? C69 C74 1.490(4) . ? C70 C71 1.393(5) . ? C70 H70 0.9500 . ? C71 C72 1.380(5) . ? C71 C80 1.487(4) . ? C72 C73 1.404(4) . ? C72 H72 0.9500 . ? C73 C86 1.490(5) . ? C74 C79 1.398(5) . ? C74 C75 1.401(4) . ? C75 C76 1.379(5) . ? C75 H75 0.9500 . ? C76 C77 1.397(5) . ? C76 H76 0.9500 . ? C77 C78 1.385(5) . ? C77 H77 0.9500 . ? C78 C79 1.371(5) . ? C78 H78 0.9500 . ? C79 H79 0.9500 . ? C80 C85 1.377(5) . ? C80 C81 1.396(5) . ? C81 C82 1.393(5) . ? C81 H81 0.9500 . ? C82 C83 1.364(6) . ? C82 H82 0.9500 . ? C83 C84 1.369(7) . ? C83 H83 0.9500 . ? C84 C85 1.390(5) . ? C84 H84 0.9500 . ? C85 H85 0.9500 . ? C86 C87 1.392(4) . ? C86 C91 1.396(4) . ? C87 C88 1.378(5) . ? C87 H87 0.9500 . ? C88 C89 1.374(5) . ? C88 H88 0.9500 . ? C89 C90 1.387(5) . ? C89 H89 0.9500 . ? C90 C91 1.371(5) . ? C90 H90 0.9500 . ? C91 H91 0.9500 . ? 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 N1 Fe1 N4 80.60(11) . . ? N1 Fe1 N2 89.30(11) . . ? N4 Fe1 N2 159.46(12) . . ? N1 Fe1 N3 156.68(12) . . ? N4 Fe1 N3 88.67(11) . . ? N2 Fe1 N3 93.95(10) . . ? N1 Fe1 Cl1 99.18(9) . . ? N4 Fe1 Cl1 101.47(9) . . ? N2 Fe1 Cl1 97.75(9) . . ? N3 Fe1 Cl1 103.23(8) . . ? N1 C1 C19 111.8(3) . . ? N1 C1 C2 108.1(3) . . ? C19 C1 C2 140.0(3) . . ? C3 C2 C1 107.1(3) . . ? C3 C2 H2 126.5 . . ? C1 C2 H2 126.5 . . ? C2 C3 C4 108.1(3) . . ? C2 C3 H3 126.0 . . ? C4 C3 H3 126.0 . . ? N1 C4 C5 120.5(3) . . ? N1 C4 C3 107.5(3) . . ? C5 C4 C3 131.9(3) . . ? C4 C5 C6 121.7(3) . . ? C4 C5 C20 121.2(3) . . ? C6 C5 C20 117.0(3) . . ? N2 C6 C5 125.4(3) . . ? N2 C6 C7 109.0(3) . . ? C5 C6 C7 125.6(3) . . ? C8 C7 C6 107.9(3) . . ? C8 C7 H7 126.1 . . ? C6 C7 H7 126.1 . . ? C7 C8 C9 107.3(3) . . ? C7 C8 H8 126.3 . . ? C9 C8 H8 126.3 . . ? N2 C9 C10 123.5(3) . . ? N2 C9 C8 109.1(3) . . ? C10 C9 C8 127.4(3) . . ? C9 C10 C11 124.8(3) . . ? C9 C10 C44 119.1(3) . . ? C11 C10 C44 116.1(3) . . ? N3 C11 C10 123.5(3) . . ? N3 C11 C12 109.5(3) . . ? C10 C11 C12 127.0(3) . . ? C13 C12 C11 107.7(3) . . ? C13 C12 H12 126.2 . . ? C11 C12 H12 126.2 . . ? C12 C13 C14 107.5(3) . . ? C12 C13 H13 126.3 . . ? C14 C13 H13 126.3 . . ? N3 C14 C15 125.5(3) . . ? N3 C14 C13 108.7(2) . . ? C15 C14 C13 125.7(3) . . ? C16 C15 C14 121.8(3) . . ? C16 C15 C68 121.4(3) . . ? C14 C15 C68 116.8(3) . . ? N4 C16 C15 120.5(3) . . ? N4 C16 C17 107.2(3) . . ? C15 C16 C17 132.2(3) . . ? C18 C17 C16 107.6(3) . . ? C18 C17 H17 126.2 . . ? C16 C17 H17 126.2 . . ? C17 C18 C19 107.8(3) . . ? C17 C18 H18 126.1 . . ? C19 C18 H18 126.1 . . ? N4 C19 C1 111.9(3) . . ? N4 C19 C18 107.9(3) . . ? C1 C19 C18 140.2(3) . . ? C25 C20 C21 119.5(3) . . ? C25 C20 C5 121.8(3) . . ? C21 C20 C5 118.6(3) . . ? C22 C21 C20 119.2(3) . . ? C22 C21 C26 118.8(3) . . ? C20 C21 C26 121.9(3) . . ? C23 C22 C21 122.0(3) . . ? C23 C22 H22 119.0 . . ? C21 C22 H22 119.0 . . ? C24 C23 C22 118.0(3) . . ? C24 C23 C32 120.4(3) . . ? C22 C23 C32 121.5(3) . . ? C23 C24 C25 121.8(3) . . ? C23 C24 H24 119.1 . . ? C25 C24 H24 119.1 . . ? C20 C25 C24 119.3(3) . . ? C20 C25 C38 122.5(3) . . ? C24 C25 C38 118.1(3) . . ? C27 C26 C31 119.5(4) . . ? C27 C26 C21 120.9(4) . . ? C31 C26 C21 119.6(3) . . ? C26 C27 C28 119.6(4) . . ? C26 C27 H27 120.2 . . ? C28 C27 H27 120.2 . . ? C29 C28 C27 121.4(4) . . ? C29 C28 H28 119.3 . . ? C27 C28 H28 119.3 . . ? C28 C29 C30 119.7(4) . . ? C28 C29 H29 120.2 . . ? C30 C29 H29 120.2 . . ? C31 C30 C29 119.5(4) . . ? C31 C30 H30 120.2 . . ? C29 C30 H30 120.2 . . ? C26 C31 C30 120.2(4) . . ? C26 C31 H31 119.9 . . ? C30 C31 H31 119.9 . . ? C37 C32 C33 118.6(3) . . ? C37 C32 C23 120.1(3) . . ? C33 C32 C23 121.3(3) . . ? C34 C33 C32 120.9(3) . . ? C34 C33 H33 119.6 . . ? C32 C33 H33 119.6 . . ? C35 C34 C33 119.7(4) . . ? C35 C34 H34 120.2 . . ? C33 C34 H34 120.2 . . ? C36 C35 C34 120.1(3) . . ? C36 C35 H35 120.0 . . ? C34 C35 H35 120.0 . . ? C35 C36 C37 120.7(4) . . ? C35 C36 H36 119.7 . . ? C37 C36 H36 119.7 . . ? C32 C37 C36 120.1(4) . . ? C32 C37 H37 119.9 . . ? C36 C37 H37 119.9 . . ? C43 C38 C39 118.7(3) . . ? C43 C38 C25 121.7(3) . . ? C39 C38 C25 119.6(3) . . ? C40 C39 C38 120.5(4) . . ? C40 C39 H39 119.7 . . ? C38 C39 H39 119.7 . . ? C39 C40 C41 119.1(4) . . ? C39 C40 H40 120.4 . . ? C41 C40 H40 120.4 . . ? C42 C41 C40 121.0(4) . . ? C42 C41 H41 119.5 . . ? C40 C41 H41 119.5 . . ? C41 C42 C43 120.1(4) . . ? C41 C42 H42 119.9 . . ? C43 C42 H42 119.9 . . ? C38 C43 C42 120.5(4) . . ? C38 C43 H43 119.8 . . ? C42 C43 H43 119.8 . . ? C45 C44 C49 119.6(3) . . ? C45 C44 C10 118.7(3) . . ? C49 C44 C10 121.6(3) . . ? C46 C45 C44 118.3(3) . . ? C46 C45 C50 118.8(3) . . ? C44 C45 C50 123.0(3) . . ? C47 C46 C45 122.4(3) . . ? C47 C46 H46 118.8 . . ? C45 C46 H46 118.8 . . ? C48 C47 C46 118.6(3) . . ? C48 C47 C56 121.2(3) . . ? C46 C47 C56 120.1(3) . . ? C47 C48 C49 121.3(3) . . ? C47 C48 H48 119.4 . . ? C49 C48 H48 119.4 . . ? C48 C49 C44 119.5(3) . . ? C48 C49 C62 116.8(3) . . ? C44 C49 C62 123.7(3) . . ? C51 C50 C55 119.6(4) . . ? C51 C50 C45 121.0(3) . . ? C55 C50 C45 119.3(4) . . ? C50 C51 C52 120.8(4) . . ? C50 C51 H51 119.6 . . ? C52 C51 H51 119.6 . . ? C51 C52 C53 118.0(5) . . ? C51 C52 H52 121.0 . . ? C53 C52 H52 121.0 . . ? C54 C53 C52 121.0(4) . . ? C54 C53 H53 119.5 . . ? C52 C53 H53 119.5 . . ? C53 C54 C55 120.4(4) . . ? C53 C54 H54 119.8 . . ? C55 C54 H54 119.8 . . ? C54 C55 C50 120.1(4) . . ? C54 C55 H55 120.0 . . ? C50 C55 H55 120.0 . . ? C57 C56 C61 120.6(4) . . ? C57 C56 C47 119.0(4) . . ? C61 C56 C47 120.4(4) . . ? C56 C57 C58 119.8(5) . . ? C56 C57 H57 120.1 . . ? C58 C57 H57 120.1 . . ? C59 C58 C57 118.9(5) . . ? C59 C58 H58 120.5 . . ? C57 C58 H58 120.5 . . ? C58 C59 C60 122.2(4) . . ? C58 C59 H59 118.9 . . ? C60 C59 H59 118.9 . . ? C59 C60 C61 118.2(5) . . ? C59 C60 H60 120.9 . . ? C61 C60 H60 120.9 . . ? C56 C61 C60 120.2(4) . . ? C56 C61 H61 119.9 . . ? C60 C61 H61 119.9 . . ? C67 C62 C63 117.7(3) . . ? C67 C62 C49 123.4(3) . . ? C63 C62 C49 118.9(3) . . ? C64 C63 C62 121.7(3) . . ? C64 C63 H63 119.2 . . ? C62 C63 H63 119.2 . . ? C63 C64 C65 120.0(4) . . ? C63 C64 H64 120.0 . . ? C65 C64 H64 120.0 . . ? C64 C65 C66 120.0(4) . . ? C64 C65 H65 120.0 . . ? C66 C65 H65 120.0 . . ? C65 C66 C67 119.8(4) . . ? C65 C66 H66 120.1 . . ? C67 C66 H66 120.1 . . ? C66 C67 C62 120.9(3) . . ? C66 C67 H67 119.6 . . ? C62 C67 H67 119.6 . . ? C73 C68 C69 118.8(3) . . ? C73 C68 C15 120.0(3) . . ? C69 C68 C15 121.0(3) . . ? C70 C69 C68 119.6(3) . . ? C70 C69 C74 116.4(3) . . ? C68 C69 C74 124.0(3) . . ? C71 C70 C69 122.0(3) . . ? C71 C70 H70 119.0 . . ? C69 C70 H70 119.0 . . ? C72 C71 C70 117.8(3) . . ? C72 C71 C80 122.1(3) . . ? C70 C71 C80 120.1(3) . . ? C71 C72 C73 122.2(3) . . ? C71 C72 H72 118.9 . . ? C73 C72 H72 118.9 . . ? C72 C73 C68 119.4(3) . . ? C72 C73 C86 117.0(3) . . ? C68 C73 C86 123.6(3) . . ? C79 C74 C75 118.3(3) . . ? C79 C74 C69 119.1(3) . . ? C75 C74 C69 122.3(3) . . ? C76 C75 C74 120.5(3) . . ? C76 C75 H75 119.8 . . ? C74 C75 H75 119.8 . . ? C75 C76 C77 120.6(4) . . ? C75 C76 H76 119.7 . . ? C77 C76 H76 119.7 . . ? C78 C77 C76 118.7(4) . . ? C78 C77 H77 120.7 . . ? C76 C77 H77 120.7 . . ? C79 C78 C77 121.1(4) . . ? C79 C78 H78 119.5 . . ? C77 C78 H78 119.5 . . ? C78 C79 C74 120.7(3) . . ? C78 C79 H79 119.6 . . ? C74 C79 H79 119.6 . . ? C85 C80 C81 118.2(4) . . ? C85 C80 C71 120.3(3) . . ? C81 C80 C71 121.4(3) . . ? C82 C81 C80 120.3(4) . . ? C82 C81 H81 119.8 . . ? C80 C81 H81 119.8 . . ? C83 C82 C81 120.2(4) . . ? C83 C82 H82 119.9 . . ? C81 C82 H82 119.9 . . ? C82 C83 C84 120.2(4) . . ? C82 C83 H83 119.9 . . ? C84 C83 H83 119.9 . . ? C83 C84 C85 120.0(5) . . ? C83 C84 H84 120.0 . . ? C85 C84 H84 120.0 . . ? C80 C85 C84 121.0(4) . . ? C80 C85 H85 119.5 . . ? C84 C85 H85 119.5 . . ? C87 C86 C91 117.7(3) . . ? C87 C86 C73 119.1(3) . . ? C91 C86 C73 123.1(3) . . ? C88 C87 C86 121.1(3) . . ? C88 C87 H87 119.5 . . ? C86 C87 H87 119.5 . . ? C89 C88 C87 120.7(3) . . ? C89 C88 H88 119.7 . . ? C87 C88 H88 119.7 . . ? C88 C89 C90 119.0(3) . . ? C88 C89 H89 120.5 . . ? C90 C89 H89 120.5 . . ? C91 C90 C89 120.7(3) . . ? C91 C90 H90 119.7 . . ? C89 C90 H90 119.7 . . ? C90 C91 C86 120.9(3) . . ? C90 C91 H91 119.5 . . ? C86 C91 H91 119.5 . . ? C1 N1 C4 109.2(3) . . ? C1 N1 Fe1 116.7(2) . . ? C4 N1 Fe1 132.9(2) . . ? C6 N2 C9 106.7(3) . . ? C6 N2 Fe1 126.4(2) . . ? C9 N2 Fe1 124.4(2) . . ? C11 N3 C14 106.7(2) . . ? C11 N3 Fe1 125.5(2) . . ? C14 N3 Fe1 127.09(19) . . ? C19 N4 C16 109.4(3) . . ? C19 N4 Fe1 116.2(2) . . ? C16 N4 Fe1 132.1(2) . . ? 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 N1 C1 C2 C3 -0.1(4) . . . . ? C19 C1 C2 C3 178.3(5) . . . . ? C1 C2 C3 C4 -0.2(4) . . . . ? C2 C3 C4 N1 0.4(4) . . . . ? C2 C3 C4 C5 -176.9(4) . . . . ? N1 C4 C5 C6 1.7(5) . . . . ? C3 C4 C5 C6 178.7(3) . . . . ? N1 C4 C5 C20 178.9(3) . . . . ? C3 C4 C5 C20 -4.0(6) . . . . ? C4 C5 C6 N2 2.2(5) . . . . ? C20 C5 C6 N2 -175.2(3) . . . . ? C4 C5 C6 C7 -177.6(3) . . . . ? C20 C5 C6 C7 5.0(5) . . . . ? N2 C6 C7 C8 -1.2(4) . . . . ? C5 C6 C7 C8 178.7(3) . . . . ? C6 C7 C8 C9 1.8(4) . . . . ? C7 C8 C9 N2 -1.9(4) . . . . ? C7 C8 C9 C10 176.9(3) . . . . ? N2 C9 C10 C11 -1.2(5) . . . . ? C8 C9 C10 C11 -179.8(3) . . . . ? N2 C9 C10 C44 -179.4(3) . . . . ? C8 C9 C10 C44 2.0(5) . . . . ? C9 C10 C11 N3 -6.3(5) . . . . ? C44 C10 C11 N3 172.0(3) . . . . ? C9 C10 C11 C12 176.1(3) . . . . ? C44 C10 C11 C12 -5.7(5) . . . . ? N3 C11 C12 C13 -2.4(4) . . . . ? C10 C11 C12 C13 175.5(3) . . . . ? C11 C12 C13 C14 1.6(4) . . . . ? C12 C13 C14 N3 -0.3(4) . . . . ? C12 C13 C14 C15 -177.0(3) . . . . ? N3 C14 C15 C16 5.4(5) . . . . ? C13 C14 C15 C16 -178.4(3) . . . . ? N3 C14 C15 C68 -171.7(3) . . . . ? C13 C14 C15 C68 4.5(5) . . . . ? C14 C15 C16 N4 2.3(5) . . . . ? C68 C15 C16 N4 179.2(3) . . . . ? C14 C15 C16 C17 177.2(3) . . . . ? C68 C15 C16 C17 -5.9(6) . . . . ? N4 C16 C17 C18 -0.3(4) . . . . ? C15 C16 C17 C18 -175.7(4) . . . . ? C16 C17 C18 C19 0.2(4) . . . . ? N1 C1 C19 N4 -3.0(4) . . . . ? C2 C1 C19 N4 178.6(4) . . . . ? N1 C1 C19 C18 176.2(4) . . . . ? C2 C1 C19 C18 -2.2(9) . . . . ? C17 C18 C19 N4 0.0(4) . . . . ? C17 C18 C19 C1 -179.2(4) . . . . ? C4 C5 C20 C25 114.6(4) . . . . ? C6 C5 C20 C25 -68.0(4) . . . . ? C4 C5 C20 C21 -69.0(4) . . . . ? C6 C5 C20 C21 108.4(4) . . . . ? C25 C20 C21 C22 2.5(5) . . . . ? C5 C20 C21 C22 -173.9(3) . . . . ? C25 C20 C21 C26 178.4(3) . . . . ? C5 C20 C21 C26 2.0(5) . . . . ? C20 C21 C22 C23 -0.3(5) . . . . ? C26 C21 C22 C23 -176.3(3) . . . . ? C21 C22 C23 C24 -1.8(5) . . . . ? C21 C22 C23 C32 176.1(3) . . . . ? C22 C23 C24 C25 1.7(5) . . . . ? C32 C23 C24 C25 -176.2(3) . . . . ? C21 C20 C25 C24 -2.6(5) . . . . ? C5 C20 C25 C24 173.7(3) . . . . ? C21 C20 C25 C38 179.9(3) . . . . ? C5 C20 C25 C38 -3.7(5) . . . . ? C23 C24 C25 C20 0.5(5) . . . . ? C23 C24 C25 C38 178.1(3) . . . . ? C22 C21 C26 C27 115.1(4) . . . . ? C20 C21 C26 C27 -60.9(5) . . . . ? C22 C21 C26 C31 -63.9(5) . . . . ? C20 C21 C26 C31 120.1(4) . . . . ? C31 C26 C27 C28 -1.7(5) . . . . ? C21 C26 C27 C28 179.3(3) . . . . ? C26 C27 C28 C29 0.9(6) . . . . ? C27 C28 C29 C30 -0.2(6) . . . . ? C28 C29 C30 C31 0.3(6) . . . . ? C27 C26 C31 C30 1.9(5) . . . . ? C21 C26 C31 C30 -179.1(3) . . . . ? C29 C30 C31 C26 -1.2(6) . . . . ? C24 C23 C32 C37 135.2(4) . . . . ? C22 C23 C32 C37 -42.6(5) . . . . ? C24 C23 C32 C33 -43.3(5) . . . . ? C22 C23 C32 C33 138.9(4) . . . . ? C37 C32 C33 C34 -0.4(6) . . . . ? C23 C32 C33 C34 178.1(4) . . . . ? C32 C33 C34 C35 -0.5(6) . . . . ? C33 C34 C35 C36 0.4(7) . . . . ? C34 C35 C36 C37 0.6(7) . . . . ? C33 C32 C37 C36 1.4(6) . . . . ? C23 C32 C37 C36 -177.1(4) . . . . ? C35 C36 C37 C32 -1.5(7) . . . . ? C20 C25 C38 C43 -48.4(5) . . . . ? C24 C25 C38 C43 134.1(3) . . . . ? C20 C25 C38 C39 131.4(4) . . . . ? C24 C25 C38 C39 -46.0(4) . . . . ? C43 C38 C39 C40 0.6(6) . . . . ? C25 C38 C39 C40 -179.3(4) . . . . ? C38 C39 C40 C41 0.4(7) . . . . ? C39 C40 C41 C42 -0.7(7) . . . . ? C40 C41 C42 C43 -0.1(7) . . . . ? C39 C38 C43 C42 -1.4(5) . . . . ? C25 C38 C43 C42 178.5(3) . . . . ? C41 C42 C43 C38 1.1(6) . . . . ? C9 C10 C44 C45 116.9(3) . . . . ? C11 C10 C44 C45 -61.5(4) . . . . ? C9 C10 C44 C49 -65.7(4) . . . . ? C11 C10 C44 C49 115.9(3) . . . . ? C49 C44 C45 C46 -6.1(5) . . . . ? C10 C44 C45 C46 171.3(3) . . . . ? C49 C44 C45 C50 174.2(3) . . . . ? C10 C44 C45 C50 -8.4(5) . . . . ? C44 C45 C46 C47 2.5(5) . . . . ? C50 C45 C46 C47 -177.7(3) . . . . ? C45 C46 C47 C48 2.4(6) . . . . ? C45 C46 C47 C56 -174.4(3) . . . . ? C46 C47 C48 C49 -3.9(6) . . . . ? C56 C47 C48 C49 172.9(3) . . . . ? C47 C48 C49 C44 0.3(5) . . . . ? C47 C48 C49 C62 -179.9(3) . . . . ? C45 C44 C49 C48 4.8(5) . . . . ? C10 C44 C49 C48 -172.6(3) . . . . ? C45 C44 C49 C62 -175.0(3) . . . . ? C10 C44 C49 C62 7.6(5) . . . . ? C46 C45 C50 C51 132.2(4) . . . . ? C44 C45 C50 C51 -48.1(5) . . . . ? C46 C45 C50 C55 -44.1(5) . . . . ? C44 C45 C50 C55 135.7(4) . . . . ? C55 C50 C51 C52 0.6(5) . . . . ? C45 C50 C51 C52 -175.7(3) . . . . ? C50 C51 C52 C53 -0.1(6) . . . . ? C51 C52 C53 C54 -0.1(6) . . . . ? C52 C53 C54 C55 -0.3(7) . . . . ? C53 C54 C55 C50 0.8(6) . . . . ? C51 C50 C55 C54 -1.0(6) . . . . ? C45 C50 C55 C54 175.3(3) . . . . ? C48 C47 C56 C57 144.9(4) . . . . ? C46 C47 C56 C57 -38.4(5) . . . . ? C48 C47 C56 C61 -35.3(5) . . . . ? C46 C47 C56 C61 141.4(4) . . . . ? C61 C56 C57 C58 -1.5(6) . . . . ? C47 C56 C57 C58 178.3(3) . . . . ? C56 C57 C58 C59 -0.2(6) . . . . ? C57 C58 C59 C60 2.0(7) . . . . ? C58 C59 C60 C61 -2.0(7) . . . . ? C57 C56 C61 C60 1.5(6) . . . . ? C47 C56 C61 C60 -178.3(4) . . . . ? C59 C60 C61 C56 0.2(6) . . . . ? C48 C49 C62 C67 130.5(4) . . . . ? C44 C49 C62 C67 -49.7(5) . . . . ? C48 C49 C62 C63 -48.5(5) . . . . ? C44 C49 C62 C63 131.3(3) . . . . ? C67 C62 C63 C64 0.4(5) . . . . ? C49 C62 C63 C64 179.5(3) . . . . ? C62 C63 C64 C65 -0.5(6) . . . . ? C63 C64 C65 C66 0.5(6) . . . . ? C64 C65 C66 C67 -0.4(6) . . . . ? C65 C66 C67 C62 0.3(5) . . . . ? C63 C62 C67 C66 -0.3(5) . . . . ? C49 C62 C67 C66 -179.4(3) . . . . ? C16 C15 C68 C73 -73.0(4) . . . . ? C14 C15 C68 C73 104.1(3) . . . . ? C16 C15 C68 C69 111.3(4) . . . . ? C14 C15 C68 C69 -71.6(4) . . . . ? C73 C68 C69 C70 -3.3(4) . . . . ? C15 C68 C69 C70 172.5(3) . . . . ? C73 C68 C69 C74 177.0(3) . . . . ? C15 C68 C69 C74 -7.2(4) . . . . ? C68 C69 C70 C71 -0.1(5) . . . . ? C74 C69 C70 C71 179.7(3) . . . . ? C69 C70 C71 C72 3.3(5) . . . . ? C69 C70 C71 C80 -175.7(3) . . . . ? C70 C71 C72 C73 -3.2(5) . . . . ? C80 C71 C72 C73 175.8(3) . . . . ? C71 C72 C73 C68 -0.1(5) . . . . ? C71 C72 C73 C86 -179.3(3) . . . . ? C69 C68 C73 C72 3.4(4) . . . . ? C15 C68 C73 C72 -172.5(3) . . . . ? C69 C68 C73 C86 -177.5(3) . . . . ? C15 C68 C73 C86 6.6(4) . . . . ? C70 C69 C74 C79 -43.4(4) . . . . ? C68 C69 C74 C79 136.3(3) . . . . ? C70 C69 C74 C75 130.4(3) . . . . ? C68 C69 C74 C75 -49.8(4) . . . . ? C79 C74 C75 C76 0.2(5) . . . . ? C69 C74 C75 C76 -173.8(3) . . . . ? C74 C75 C76 C77 1.0(5) . . . . ? C75 C76 C77 C78 -1.9(5) . . . . ? C76 C77 C78 C79 1.5(5) . . . . ? C77 C78 C79 C74 -0.3(5) . . . . ? C75 C74 C79 C78 -0.5(5) . . . . ? C69 C74 C79 C78 173.6(3) . . . . ? C72 C71 C80 C85 -36.3(5) . . . . ? C70 C71 C80 C85 142.6(4) . . . . ? C72 C71 C80 C81 146.0(4) . . . . ? C70 C71 C80 C81 -35.0(5) . . . . ? C85 C80 C81 C82 0.2(7) . . . . ? C71 C80 C81 C82 177.9(4) . . . . ? C80 C81 C82 C83 -0.7(8) . . . . ? C81 C82 C83 C84 1.6(9) . . . . ? C82 C83 C84 C85 -2.2(10) . . . . ? C81 C80 C85 C84 -0.8(8) . . . . ? C71 C80 C85 C84 -178.5(5) . . . . ? C83 C84 C85 C80 1.8(9) . . . . ? C72 C73 C86 C87 -48.6(4) . . . . ? C68 C73 C86 C87 132.2(3) . . . . ? C72 C73 C86 C91 127.9(3) . . . . ? C68 C73 C86 C91 -51.2(5) . . . . ? C91 C86 C87 C88 0.1(5) . . . . ? C73 C86 C87 C88 176.8(3) . . . . ? C86 C87 C88 C89 0.0(6) . . . . ? C87 C88 C89 C90 -0.2(6) . . . . ? C88 C89 C90 C91 0.2(6) . . . . ? C89 C90 C91 C86 -0.1(5) . . . . ? C87 C86 C91 C90 0.0(5) . . . . ? C73 C86 C91 C90 -176.6(3) . . . . ? C19 C1 N1 C4 -178.5(3) . . . . ? C2 C1 N1 C4 0.4(4) . . . . ? C19 C1 N1 Fe1 -9.5(4) . . . . ? C2 C1 N1 Fe1 169.4(2) . . . . ? C5 C4 N1 C1 177.2(3) . . . . ? C3 C4 N1 C1 -0.5(4) . . . . ? C5 C4 N1 Fe1 10.6(5) . . . . ? C3 C4 N1 Fe1 -167.0(2) . . . . ? N4 Fe1 N1 C1 13.7(3) . . . . ? N2 Fe1 N1 C1 175.7(3) . . . . ? N3 Fe1 N1 C1 77.3(4) . . . . ? Cl1 Fe1 N1 C1 -86.6(3) . . . . ? N4 Fe1 N1 C4 179.4(3) . . . . ? N2 Fe1 N1 C4 -18.5(3) . . . . ? N3 Fe1 N1 C4 -116.9(4) . . . . ? Cl1 Fe1 N1 C4 79.2(3) . . . . ? C5 C6 N2 C9 -179.8(3) . . . . ? C7 C6 N2 C9 0.0(4) . . . . ? C5 C6 N2 Fe1 -17.2(5) . . . . ? C7 C6 N2 Fe1 162.6(2) . . . . ? C10 C9 N2 C6 -177.7(3) . . . . ? C8 C9 N2 C6 1.1(4) . . . . ? C10 C9 N2 Fe1 19.2(4) . . . . ? C8 C9 N2 Fe1 -161.9(2) . . . . ? N1 Fe1 N2 C6 20.5(3) . . . . ? N4 Fe1 N2 C6 80.6(4) . . . . ? N3 Fe1 N2 C6 177.4(3) . . . . ? Cl1 Fe1 N2 C6 -78.7(3) . . . . ? N1 Fe1 N2 C9 -179.8(3) . . . . ? N4 Fe1 N2 C9 -119.7(3) . . . . ? N3 Fe1 N2 C9 -22.9(3) . . . . ? Cl1 Fe1 N2 C9 81.1(3) . . . . ? C10 C11 N3 C14 -175.8(3) . . . . ? C12 C11 N3 C14 2.2(3) . . . . ? C10 C11 N3 Fe1 -4.9(4) . . . . ? C12 C11 N3 Fe1 173.1(2) . . . . ? C15 C14 N3 C11 175.6(3) . . . . ? C13 C14 N3 C11 -1.2(3) . . . . ? C15 C14 N3 Fe1 4.9(5) . . . . ? C13 C14 N3 Fe1 -171.9(2) . . . . ? C1 C19 N4 C16 179.2(3) . . . . ? C18 C19 N4 C16 -0.3(4) . . . . ? C1 C19 N4 Fe1 14.3(4) . . . . ? C18 C19 N4 Fe1 -165.2(2) . . . . ? C15 C16 N4 C19 176.4(3) . . . . ? C17 C16 N4 C19 0.4(4) . . . . ? C15 C16 N4 Fe1 -21.9(5) . . . . ? C17 C16 N4 Fe1 162.0(2) . . . . ? N1 Fe1 N4 C19 -15.4(2) . . . . ? N2 Fe1 N4 C19 -76.9(4) . . . . ? N3 Fe1 N4 C19 -174.6(2) . . . . ? Cl1 Fe1 N4 C19 82.1(2) . . . . ? N1 Fe1 N4 C16 -176.1(3) . . . . ? N2 Fe1 N4 C16 122.4(4) . . . . ? N3 Fe1 N4 C16 24.7(3) . . . . ? Cl1 Fe1 N4 C16 -78.6(3) . . . . ? _refine_diff_density_max 2.042 _refine_diff_density_min -0.652 _refine_diff_density_rms 0.059 _shelx_res_file ; xs0806a.res created by SHELXL-2014/7 TITL Sir2014_xs0806a 13/01/2016 CELL 1.54178 14.2771 15.7261 21.1824 95.674 104.611 109.640 ZERR 2 0.0003 0.0005 0.0006 0.003 0.002 0.002 LATT 1 SFAC C H N CL FE UNIT 182 118 8 2 2 TEMP -163 ACTA HTAB BOND BOND $H CONF WPDB L.S. 6 FMAP 2 PLAN 10 OMIT -2 143.8 OMIT 1 -2 3 OMIT 7 -4 -2 OMIT 0 1 5 OMIT -1 2 -3 MERG 0 LIST 8 ABIN rem restraints DELU 0.005 C56 > C61 RIGU 0.005 C56 > C61 WGHT 0.098700 BASF 0.31252 FVAR 3.04988 FE1 5 0.201947 0.637308 0.792711 11.00000 0.02681 0.03773 = 0.03320 0.01165 0.00479 -0.00153 CL1 4 0.285433 0.557207 0.751443 11.00000 0.04066 0.05240 = 0.05227 0.01057 0.01500 0.01242 C1 1 0.219989 0.761941 0.708220 11.00000 0.03881 0.03528 = 0.03538 0.01263 0.00914 0.00630 C2 1 0.177226 0.774643 0.642478 11.00000 0.04050 0.04248 = 0.03621 0.01479 0.01200 0.01077 AFIX 43 H2 2 0.206909 0.824892 0.622974 11.00000 -1.20000 AFIX 0 C3 1 0.085119 0.700307 0.613027 11.00000 0.03655 0.04967 = 0.02976 0.01387 0.00783 0.01447 AFIX 43 H3 2 0.039533 0.690136 0.569337 11.00000 -1.20000 AFIX 0 C4 1 0.069958 0.640965 0.659698 11.00000 0.03028 0.04394 = 0.02713 0.00806 0.00602 0.00912 C5 1 -0.007173 0.555543 0.654691 11.00000 0.03045 0.04191 = 0.02787 0.00462 0.00666 0.00824 C6 1 -0.004570 0.507977 0.708462 11.00000 0.02647 0.03795 = 0.02913 0.00492 0.00573 0.00500 C7 1 -0.077567 0.419346 0.707090 11.00000 0.03074 0.04056 = 0.02904 -0.00198 0.00369 -0.00276 AFIX 43 H7 2 -0.136922 0.382447 0.670604 11.00000 -1.20000 AFIX 0 C8 1 -0.047136 0.396855 0.767442 11.00000 0.03352 0.03245 = 0.03318 0.00125 0.00763 -0.00004 AFIX 43 H8 2 -0.080205 0.340926 0.780236 11.00000 -1.20000 AFIX 0 C9 1 0.043378 0.472736 0.807716 11.00000 0.02793 0.03104 = 0.03419 0.00687 0.00979 0.00173 C10 1 0.098674 0.482090 0.874452 11.00000 0.02908 0.02792 = 0.03733 0.00896 0.00892 0.00418 C11 1 0.187474 0.558904 0.911686 11.00000 0.03117 0.02351 = 0.03522 0.00914 0.00979 0.00365 C12 1 0.242456 0.574060 0.980001 11.00000 0.03312 0.02726 = 0.03520 0.00879 0.00752 0.00606 AFIX 43 H12 2 0.223277 0.535660 1.010201 11.00000 -1.20000 AFIX 0 C13 1 0.328349 0.654083 0.994786 11.00000 0.03143 0.03143 = 0.03249 0.00837 0.00354 0.00480 AFIX 43 H13 2 0.380405 0.680516 1.036794 11.00000 -1.20000 AFIX 0 C14 1 0.325290 0.690572 0.935339 11.00000 0.02542 0.02821 = 0.02906 0.00530 0.00192 0.00133 C15 1 0.402298 0.770675 0.928220 11.00000 0.02801 0.02719 = 0.03402 0.00506 0.00597 0.00281 C16 1 0.391628 0.802278 0.869011 11.00000 0.02609 0.02831 = 0.03524 0.00717 0.00459 0.00013 C17 1 0.455403 0.882022 0.850436 11.00000 0.03245 0.02864 = 0.04062 0.00886 0.00748 -0.00033 AFIX 43 H17 2 0.521216 0.925967 0.877498 11.00000 -1.20000 AFIX 0 C18 1 0.404065 0.883167 0.786619 11.00000 0.04115 0.02927 = 0.03906 0.01067 0.00877 0.00326 AFIX 43 H18 2 0.428059 0.928022 0.761476 11.00000 -1.20000 AFIX 0 C19 1 0.308116 0.804959 0.764653 11.00000 0.03417 0.03086 = 0.03424 0.01203 0.00915 0.00507 C20 1 -0.098143 0.512235 0.593913 11.00000 0.02875 0.04315 = 0.02891 0.00593 0.00520 0.00870 C21 1 -0.173155 0.552748 0.579371 11.00000 0.03100 0.04623 = 0.03791 0.00599 0.00894 0.01183 C22 1 -0.264041 0.508031 0.526001 11.00000 0.03152 0.04898 = 0.03767 0.00608 0.00546 0.01257 AFIX 43 H22 2 -0.314665 0.535466 0.516471 11.00000 -1.20000 AFIX 0 C23 1 -0.282808 0.424712 0.486392 11.00000 0.03122 0.04987 = 0.03070 0.00572 0.00617 0.01032 C24 1 -0.206947 0.387301 0.499939 11.00000 0.03469 0.04707 = 0.02745 0.00320 0.00479 0.01067 AFIX 43 H24 2 -0.217784 0.331125 0.472549 11.00000 -1.20000 AFIX 0 C25 1 -0.114061 0.430069 0.553174 11.00000 0.03032 0.04357 = 0.02977 0.00629 0.00649 0.01068 C26 1 -0.161770 0.638897 0.621919 11.00000 0.02908 0.04413 = 0.04674 -0.00224 0.00508 0.00920 C27 1 -0.157070 0.642656 0.688075 11.00000 0.03312 0.05910 = 0.05231 -0.00351 0.00887 0.01387 AFIX 43 H27 2 -0.161887 0.589632 0.707013 11.00000 -1.20000 AFIX 0 C28 1 -0.145212 0.724719 0.726972 11.00000 0.03415 0.06888 = 0.06025 -0.01455 0.00829 0.01310 AFIX 43 H28 2 -0.141031 0.727170 0.772633 11.00000 -1.20000 AFIX 0 C29 1 -0.139555 0.800651 0.701143 11.00000 0.03715 0.05853 = 0.09329 -0.02041 0.01184 0.01334 AFIX 43 H29 2 -0.131684 0.855863 0.728405 11.00000 -1.20000 AFIX 0 C30 1 -0.145328 0.797708 0.634094 11.00000 0.03836 0.04762 = 0.08838 0.00346 0.00830 0.01189 AFIX 43 H30 2 -0.141037 0.850964 0.615534 11.00000 -1.20000 AFIX 0 C31 1 -0.157447 0.715966 0.594569 11.00000 0.03669 0.04904 = 0.06249 0.00388 0.00808 0.01378 AFIX 43 H31 2 -0.162745 0.713226 0.548739 11.00000 -1.20000 AFIX 0 C32 1 -0.382817 0.374846 0.432378 11.00000 0.03256 0.04812 = 0.03448 0.00588 0.00459 0.01320 C33 1 -0.384968 0.332373 0.371030 11.00000 0.03598 0.05914 = 0.03291 0.00624 0.00445 0.01604 AFIX 43 H33 2 -0.321264 0.336709 0.362823 11.00000 -1.20000 AFIX 0 C34 1 -0.479060 0.283649 0.321539 11.00000 0.04581 0.06690 = 0.03682 0.00435 0.00171 0.01841 AFIX 43 H34 2 -0.479597 0.255283 0.279646 11.00000 -1.20000 AFIX 0 C35 1 -0.571601 0.276649 0.333482 11.00000 0.03392 0.06887 = 0.04883 -0.00048 -0.00690 0.00956 AFIX 43 H35 2 -0.636139 0.243064 0.299864 11.00000 -1.20000 AFIX 0 C36 1 -0.570662 0.317847 0.393465 11.00000 0.02744 0.08009 = 0.06224 -0.00164 0.00272 0.01334 AFIX 43 H36 2 -0.634759 0.312259 0.401552 11.00000 -1.20000 AFIX 0 C37 1 -0.476521 0.368140 0.443107 11.00000 0.03306 0.07295 = 0.04333 -0.00304 0.00815 0.01118 AFIX 43 H37 2 -0.476718 0.397835 0.484342 11.00000 -1.20000 AFIX 0 C38 1 -0.038013 0.383125 0.565411 11.00000 0.03558 0.04764 = 0.02936 0.00555 0.00537 0.01546 C39 1 -0.073767 0.288641 0.565218 11.00000 0.04334 0.05089 = 0.04802 0.00851 0.00846 0.01518 AFIX 43 H39 2 -0.146213 0.254889 0.556794 11.00000 -1.20000 AFIX 0 C40 1 -0.003776 0.243534 0.577315 11.00000 0.06912 0.05819 = 0.07728 0.01977 0.01774 0.03368 AFIX 43 H40 2 -0.028191 0.179278 0.576883 11.00000 -1.20000 AFIX 0 C41 1 0.102772 0.294239 0.590077 11.00000 0.06068 0.07520 = 0.08687 0.02168 0.01515 0.04265 AFIX 43 H41 2 0.150816 0.264044 0.598816 11.00000 -1.20000 AFIX 0 C42 1 0.138513 0.385716 0.590170 11.00000 0.04361 0.07280 = 0.05618 0.01041 0.01073 0.02784 AFIX 43 H42 2 0.211132 0.419124 0.598997 11.00000 -1.20000 AFIX 0 C43 1 0.068575 0.431109 0.577274 11.00000 0.03463 0.05680 = 0.04077 0.00791 0.00784 0.01686 AFIX 43 H43 2 0.093899 0.495029 0.576601 11.00000 -1.20000 AFIX 0 C44 1 0.064134 0.404244 0.909720 11.00000 0.03187 0.02618 = 0.03472 0.00962 0.00413 -0.00152 C45 1 0.132713 0.359586 0.932791 11.00000 0.03350 0.02774 = 0.04714 0.01064 0.00689 -0.00007 C46 1 0.106187 0.295950 0.973499 11.00000 0.03991 0.03076 = 0.05367 0.01746 0.00270 0.00349 AFIX 43 H46 2 0.153408 0.267357 0.990777 11.00000 -1.20000 AFIX 0 C47 1 0.013548 0.273313 0.989407 11.00000 0.03954 0.03905 = 0.04993 0.01689 0.00605 -0.00318 C48 1 -0.056641 0.312400 0.962118 11.00000 0.03755 0.03807 = 0.04120 0.01178 0.00675 -0.00366 AFIX 43 H48 2 -0.122210 0.294523 0.970435 11.00000 -1.20000 AFIX 0 C49 1 -0.033040 0.377806 0.922470 11.00000 0.03731 0.03064 = 0.03289 0.00597 0.00874 -0.00208 C50 1 0.231717 0.377095 0.916185 11.00000 0.03951 0.02579 = 0.06537 0.01280 0.01423 0.00669 C51 1 0.234117 0.377019 0.851258 11.00000 0.04924 0.03642 = 0.07979 0.01763 0.02507 0.01732 AFIX 43 H51 2 0.172585 0.369857 0.817203 11.00000 -1.20000 AFIX 0 C52 1 0.326015 0.387357 0.835146 11.00000 0.07669 0.05253 = 0.10909 0.03683 0.05354 0.03310 AFIX 43 H52 2 0.327811 0.387249 0.790611 11.00000 -1.20000 AFIX 0 C53 1 0.416081 0.397962 0.887071 11.00000 0.04951 0.05142 = 0.15707 0.04751 0.05268 0.02662 AFIX 43 H53 2 0.479325 0.405013 0.877272 11.00000 -1.20000 AFIX 0 C54 1 0.413601 0.398232 0.951301 11.00000 0.04592 0.05156 = 0.11350 0.03546 0.02068 0.01750 AFIX 43 H54 2 0.474873 0.405145 0.985494 11.00000 -1.20000 AFIX 0 C55 1 0.322918 0.388554 0.966638 11.00000 0.03769 0.04138 = 0.08141 0.02309 0.01046 0.00857 AFIX 43 H55 2 0.322021 0.389626 1.011398 11.00000 -1.20000 AFIX 0 C56 1 -0.006653 0.211040 1.038553 11.00000 0.03874 0.04585 = 0.04835 0.01454 0.00252 -0.00333 C57 1 0.025430 0.137525 1.037554 11.00000 0.03630 0.05427 = 0.08453 0.03178 0.01024 0.00529 AFIX 43 H57 2 0.057989 0.125572 1.005582 11.00000 -1.20000 AFIX 0 C58 1 0.009565 0.079453 1.084704 11.00000 0.04030 0.07742 = 0.07090 0.03861 0.00370 -0.00043 AFIX 43 H58 2 0.031099 0.028490 1.084361 11.00000 -1.20000 AFIX 0 C59 1 -0.036615 0.098157 1.129872 11.00000 0.05805 0.05678 = 0.06328 0.02613 -0.00383 0.00049 AFIX 43 H59 2 -0.045137 0.060693 1.162140 11.00000 -1.20000 AFIX 0 C60 1 -0.072421 0.171207 1.130645 11.00000 0.07178 0.05989 = 0.05382 0.01788 0.01460 -0.00703 AFIX 43 H60 2 -0.106588 0.182045 1.161921 11.00000 -1.20000 AFIX 0 C61 1 -0.056309 0.227816 1.083881 11.00000 0.06001 0.04647 = 0.05104 0.01461 0.01212 0.00180 AFIX 43 H61 2 -0.079609 0.277737 1.083427 11.00000 -1.20000 AFIX 0 C62 1 -0.114317 0.415582 0.895698 11.00000 0.03939 0.03724 = 0.03519 0.00822 0.01387 0.00445 C63 1 -0.217209 0.354425 0.864792 11.00000 0.04035 0.03641 = 0.04392 0.00928 0.01478 0.00522 AFIX 43 H63 2 -0.233201 0.290075 0.861138 11.00000 -1.20000 AFIX 0 C64 1 -0.295865 0.384971 0.839544 11.00000 0.03873 0.05271 = 0.05343 0.01220 0.01437 0.01059 AFIX 43 H64 2 -0.365092 0.341912 0.818449 11.00000 -1.20000 AFIX 0 C65 1 -0.274209 0.478356 0.844856 11.00000 0.05388 0.04977 = 0.05915 0.01639 0.01897 0.02171 AFIX 43 H65 2 -0.328634 0.499552 0.827707 11.00000 -1.20000 AFIX 0 C66 1 -0.173129 0.541027 0.875191 11.00000 0.05900 0.04281 = 0.05700 0.01810 0.02896 0.01810 AFIX 43 H66 2 -0.158018 0.605238 0.878659 11.00000 -1.20000 AFIX 0 C67 1 -0.093658 0.509671 0.900608 11.00000 0.04552 0.03574 = 0.04364 0.00665 0.02131 0.00468 AFIX 43 H67 2 -0.024482 0.552909 0.921561 11.00000 -1.20000 AFIX 0 C68 1 0.498111 0.816884 0.986520 11.00000 0.02403 0.02681 = 0.03597 0.00898 0.00192 0.00102 C69 1 0.494870 0.865959 1.044866 11.00000 0.02818 0.02972 = 0.03675 0.01005 0.00554 0.00228 C70 1 0.582675 0.899177 1.101252 11.00000 0.03492 0.03051 = 0.03396 0.00491 0.00463 0.00203 AFIX 43 H70 2 0.579830 0.932242 1.140307 11.00000 -1.20000 AFIX 0 C71 1 0.674268 0.885296 1.101954 11.00000 0.02837 0.02864 = 0.04391 0.00855 0.00059 -0.00101 C72 1 0.678117 0.841241 1.043517 11.00000 0.02772 0.03210 = 0.04319 0.00583 0.00334 0.00262 AFIX 43 H72 2 0.741183 0.834010 1.042474 11.00000 -1.20000 AFIX 0 C73 1 0.591979 0.806749 0.985560 11.00000 0.03009 0.02637 = 0.04045 0.00805 0.00651 0.00345 C74 1 0.401987 0.885288 1.051149 11.00000 0.02821 0.02699 = 0.04208 0.00563 0.00580 -0.00026 C75 1 0.348531 0.922957 1.004104 11.00000 0.03621 0.02954 = 0.04528 0.00620 0.00592 0.00666 AFIX 43 H75 2 0.367039 0.931291 0.964463 11.00000 -1.20000 AFIX 0 C76 1 0.269266 0.948021 1.014916 11.00000 0.03507 0.03773 = 0.06073 0.00681 0.00026 0.00712 AFIX 43 H76 2 0.232832 0.972531 0.982303 11.00000 -1.20000 AFIX 0 C77 1 0.242039 0.937702 1.073395 11.00000 0.03546 0.03883 = 0.06534 0.00451 0.01135 0.00585 AFIX 43 H77 2 0.188860 0.956671 1.081480 11.00000 -1.20000 AFIX 0 C78 1 0.294092 0.899281 1.119340 11.00000 0.04472 0.03851 = 0.05980 0.01034 0.02107 0.00488 AFIX 43 H78 2 0.275068 0.890515 1.158772 11.00000 -1.20000 AFIX 0 C79 1 0.372648 0.873675 1.108861 11.00000 0.03544 0.03156 = 0.04559 0.00623 0.00964 0.00411 AFIX 43 H79 2 0.407519 0.847753 1.141185 11.00000 -1.20000 AFIX 0 C80 1 0.763138 0.916093 1.164455 11.00000 0.03538 0.03737 = 0.04406 0.00709 -0.00056 0.00193 C81 1 0.785855 0.996088 1.210039 11.00000 0.04101 0.05033 = 0.05413 -0.00270 -0.00024 0.01125 AFIX 43 H81 2 0.745461 1.033131 1.200623 11.00000 -1.20000 AFIX 0 C82 1 0.867475 1.021902 1.269287 11.00000 0.04481 0.06977 = 0.05301 -0.01559 -0.00657 0.00849 AFIX 43 H82 2 0.882990 1.076780 1.299890 11.00000 -1.20000 AFIX 0 C83 1 0.925147 0.968612 1.283468 11.00000 0.06535 0.08020 = 0.06578 0.00412 -0.02796 0.01588 AFIX 43 H83 2 0.979540 0.985638 1.324450 11.00000 -1.20000 AFIX 0 C84 1 0.904960 0.890669 1.238872 11.00000 0.08277 0.05461 = 0.09252 -0.00130 -0.04153 0.02692 AFIX 43 H84 2 0.946860 0.854878 1.248224 11.00000 -1.20000 AFIX 0 C85 1 0.823105 0.863925 1.179888 11.00000 0.06310 0.04164 = 0.06778 0.00004 -0.02105 0.01513 AFIX 43 H85 2 0.808305 0.808815 1.149762 11.00000 -1.20000 AFIX 0 C86 1 0.605773 0.759623 0.925993 11.00000 0.02807 0.03256 = 0.04198 0.00692 0.00397 0.00903 C87 1 0.693449 0.802293 0.906549 11.00000 0.03438 0.03516 = 0.05066 0.00600 0.01085 0.00648 AFIX 43 H87 2 0.741291 0.862072 0.930060 11.00000 -1.20000 AFIX 0 C88 1 0.712010 0.759286 0.853778 11.00000 0.03997 0.04469 = 0.05353 0.00729 0.01616 0.01184 AFIX 43 H88 2 0.772389 0.789684 0.841385 11.00000 -1.20000 AFIX 0 C89 1 0.644083 0.672884 0.818897 11.00000 0.03958 0.04805 = 0.04988 0.00344 0.01159 0.01849 AFIX 43 H89 2 0.656933 0.643422 0.782442 11.00000 -1.20000 AFIX 0 C90 1 0.556421 0.629316 0.837736 11.00000 0.03665 0.03796 = 0.05425 0.00061 0.00311 0.01050 AFIX 43 H90 2 0.509051 0.569465 0.814055 11.00000 -1.20000 AFIX 0 C91 1 0.537460 0.671775 0.890196 11.00000 0.03047 0.03476 = 0.04919 0.00535 0.00677 0.00797 AFIX 43 H91 2 0.476970 0.640964 0.902353 11.00000 -1.20000 AFIX 0 N1 3 0.153234 0.681018 0.716995 11.00000 0.03281 0.03445 = 0.03331 0.00948 0.00455 0.00154 N2 3 0.069586 0.540370 0.770524 11.00000 0.02958 0.03370 = 0.02826 0.00733 0.00745 0.00488 N3 3 0.237072 0.631576 0.884652 11.00000 0.02508 0.02505 = 0.03410 0.00897 0.00735 0.00015 N4 3 0.302892 0.757870 0.815426 11.00000 0.03572 0.03279 = 0.03372 0.01285 0.00786 0.00540 HKLF 5 REM Sir2014_xs0806a 13/01/2016 REM R1 = 0.0600 for 12718 Fo > 4sig(Fo) and 0.0840 for all 20239 data REM 875 parameters refined using 48 restraints END WGHT 0.0989 0.0000 REM No hydrogen bonds found for HTAB generation REM Highest difference peak 2.042, deepest hole -0.652, 1-sigma level 0.059 Q1 1 -0.1033 0.2619 1.1711 11.00000 0.05 2.04 Q2 1 0.2350 0.8596 0.6095 11.00000 0.05 0.98 Q3 1 0.4397 0.9606 0.7386 11.00000 0.05 0.93 Q4 1 0.1784 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58962.0 300.530 1 -1 3 3 28404.8 1610.46 1 1 -3 -3 42659.4 247.137 -2 1 -3 -3 42659.4 247.137 1 -1 3 2 9355.08 308.829 1 -1 3 2 14544.8 343.033 -2 -1 3 2 14544.8 343.033 1 -1 3 1 7008.15 108.205 1 1 -3 -1 10591.7 367.667 -2 1 -3 -1 10591.7 367.667 1 -1 3 0 10656.2 158.221 1 1 -3 0 15063.5 209.891 -2 1 -3 0 15063.5 209.891 1 -1 3 -1 566.686 112.205 1 1 -3 1 800.576 139.533 -2 1 -3 1 800.576 139.533 1 -1 3 -2 82668.4 1299.15 1 1 -3 2 113106. 2292.43 -2 1 -3 2 113106. 2292.43 1 1 -3 3 73811.9 2463.56 1 -1 3 -3 101933. 3225.27 -2 -1 3 -3 101933. 3225.27 1 -1 3 -4 50218.0 321.961 1 1 -3 4 69176.3 418.488 -2 1 -3 4 69176.3 418.488 1 -1 3 -5 6011.49 169.016 1 1 -3 5 8524.91 240.654 -2 1 -3 5 8524.91 240.654 1 -1 3 -6 2314.74 190.056 1 -1 3 -7 10148.1 224.488 1 1 -3 8 31330.5 357.267 1 -1 3 -9 36664.3 425.596 1 1 -3 10 2363.36 270.236 1 -1 3 -11 13950.8 389.912 1 1 -3 12 1456.13 325.202 1 -1 3 -13 1884.02 361.523 1 -1 3 -14 7989.26 421.085 1 1 -3 15 6976.34 443.230 1 -1 3 -16 268.416 403.036 1 1 -2 16 359.671 313.476 -2 1 -3 16 359.671 313.476 1 1 -2 17 653.795 337.810 -2 1 -3 17 653.795 337.810 1 1 -2 18 1254.54 343.774 -2 1 -3 18 1254.54 343.774 1 1 -2 19 413.669 351.993 -2 1 -3 19 413.669 351.993 1 1 -2 20 1447.54 349.496 -2 1 -3 20 1447.54 349.496 1 1 -2 21 2776.67 323.105 -2 1 -3 21 2776.67 323.105 1 1 -2 22 1604.64 295.648 -2 1 -3 22 1604.64 295.648 1 1 -2 23 356.362 244.918 -2 1 -3 23 356.362 244.918 1 1 -3 24 268.988 126.510 1 1 -2 24 220.251 195.412 -2 1 -3 24 220.251 195.412 1 -1 2 24 438.756 140.603 1 -1 2 23 908.728 185.478 1 -1 2 22 217.254 219.410 1 -1 2 21 50.9275 247.422 1 -1 2 20 4000.43 294.268 1 -1 2 19 241.131 282.675 1 -1 2 18 4818.64 304.418 1 -1 2 17 984.360 269.123 1 -1 2 16 596.184 271.069 1 -1 2 15 3134.20 274.643 1 -1 2 14-101.686 377.631 1 -1 2 13 2289.67 292.805 1 -1 2 12 3471.62 337.570 1 -1 2 11 6809.55 285.435 1 -1 2 10 5681.31 252.243 1 1 -2 -9 14085.7 303.524 1 -1 2 8 1953.25 182.469 1 -1 2 7 2701.23 170.111 1 -1 2 6 11773.1 245.503 1 -1 2 5 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3584.19 359.493 -2 -2 8 -2 3584.19 359.493 1 2 -8 3 8803.01 337.512 1 2 -8 4 12073.8 352.229 1 -2 8 -5 9678.34 362.295 1 2 -8 6 2318.00 300.291 1 -2 8 -7 4849.97 339.405 1 -2 8 -8 13914.7 412.293 1 2 -8 9 320.928 298.329 1 2 -8 10 773.333 310.761 1 -2 8 -11 209.020 377.590 1 -2 8 -12 4634.37 470.288 1 2 -8 13 1922.63 311.778 1 2 -8 14 6245.27 294.667 1 2 -8 15 4738.67 248.294 1 2 -8 16 903.574 253.158 1 2 -8 17 783.462 245.402 1 2 -8 18 2075.09 240.923 1 2 -8 19 2478.50 225.610 1 2 -8 20 1075.28 201.522 1 -2 7 -20 1181.10 266.724 -2 -2 8 -20 1181.10 266.724 1 2 -8 21 1351.73 192.335 1 -2 7 -21 1493.55 236.784 -2 -2 8 -21 1493.55 236.784 1 2 -8 22 40.3871 155.403 1 2 -8 23 1668.58 325.332 1 -2 7 22 416.029 116.302 1 -2 8 20 615.159 248.241 -2 -2 7 21 615.159 248.241 1 -2 8 19 535.889 305.015 -2 -2 7 20 535.889 305.015 1 -2 8 18 220.895 329.717 -2 -2 7 19 220.895 329.717 1 -2 8 17 476.567 353.473 -2 -2 7 18 476.567 353.473 1 -2 8 16 891.052 376.094 -2 -2 7 17 891.052 376.094 1 -2 8 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371.872 -2 2 -3 17 7778.07 371.872 1 2 -2 18 706.804 352.309 -2 2 -3 18 706.804 352.309 1 2 -2 19 542.572 338.958 -2 2 -3 19 542.572 338.958 1 2 -2 20 2031.16 339.233 -2 2 -3 20 2031.16 339.233 1 2 -2 21 1848.30 309.358 -2 2 -3 21 1848.30 309.358 1 2 -2 22 208.595 244.080 -2 2 -3 22 208.595 244.080 1 2 -2 23 705.550 216.366 -2 2 -3 23 705.550 216.366 1 2 -3 24 46.0723 120.345 1 -2 2 24 84.4477 151.982 1 -2 2 23 508.230 197.917 1 -2 2 22 195.641 231.526 1 -2 2 21 740.767 262.376 1 -2 2 20 140.862 274.628 1 -2 2 19 5115.39 303.931 1 -2 2 18 5398.30 302.501 1 -2 2 17 3890.33 301.593 1 -2 2 16 6056.94 293.278 1 -2 2 15 571.273 317.712 1 2 -2 -14 6280.69 341.973 1 2 -2 -13 974.279 267.465 1 2 -2 -12 29069.6 411.985 1 2 -2 -11 9993.43 293.594 1 -2 2 10 389.764 189.414 1 -2 2 9 127.909 196.917 1 -2 2 8 1819.30 168.939 1 -2 2 7 22850.9 313.946 1 -2 2 6 1532.47 138.806 1 -2 2 6 2471.49 189.492 -2 -2 2 6 2471.49 189.492 1 -2 2 5 58210.5 338.932 1 -2 2 5 87652.5 1344.47 -2 -2 2 5 87652.5 1344.47 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293.910 1 2 -1 20 48.7515 244.147 1 2 -1 21 729.905 224.133 1 2 -1 22-80.6625 181.503 1 2 -1 23 33.5652 147.563 1 -2 0 25 153.166 128.808 1 -2 0 24 771.042 176.555 1 -2 0 23 1229.38 218.337 1 -2 0 22 1503.58 248.021 1 -2 1 22 1366.55 343.380 -2 -2 0 22 1366.55 343.380 1 -2 0 21 1283.06 263.903 1 -2 1 21 1209.62 373.719 -2 -2 0 21 1209.62 373.719 1 -2 0 20 1940.53 277.267 1 -2 1 20 2159.13 389.209 -2 -2 0 20 2159.13 389.209 1 -2 0 19 4128.22 287.300 1 -2 1 19 3938.06 386.217 -2 -2 0 19 3938.06 386.217 1 -2 0 18 225.982 256.346 1 -2 1 18 3528.14 380.561 -2 -2 0 18 3528.14 380.561 1 -2 0 17 1636.48 294.198 1 -2 1 17 1393.12 351.107 -2 -2 0 17 1393.12 351.107 1 2 0 -16 5919.93 493.536 1 -2 1 16 7776.08 351.136 -2 -2 0 16 7776.08 351.136 1 -2 0 15 12569.1 450.984 1 2 0 -14 1755.74 318.015 1 2 0 -13 3939.30 435.276 1 -2 0 12 119.188 240.968 1 2 0 -11 2520.78 217.243 1 2 0 -10 571.745 179.926 1 -2 0 9 17928.2 265.927 1 -2 0 8 12074.1 191.933 1 -2 0 7 689.506 117.451 1 -2 0 7 1200.56 194.692 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328.844 1 2 10 -16 568.152 249.947 1 -2 -10 15 432.908 234.964 1 2 10 -14 2264.51 244.271 1 -2 -10 13 3884.86 271.716 1 -2 -10 12 189.306 279.464 1 2 10 -11 11713.8 628.781 1 2 10 -10 9227.30 253.895 1 2 10 -9 5712.93 343.136 1 2 10 -8 11477.2 421.078 1 2 10 -7 4687.45 503.905 1 -2 -10 8 9469.55 554.440 -2 -2 -10 7 9469.55 554.440 1 2 10 -7 3174.86 602.020 -2 2 10 -6 3174.86 602.020 1 -2 -10 6 1023.92 567.774 -2 -2 -10 5 1023.92 567.774 1 2 10 -5 1808.46 565.778 -2 2 10 -4 1808.46 565.778 1 2 10 -4 1397.92 439.947 -2 2 10 -3 1397.92 439.947 1 2 10 -3 1770.06 504.441 -2 2 10 -2 1770.06 504.441 1 2 10 -2 3388.92 514.682 -2 2 10 -1 3388.92 514.682 1 2 10 -1 10340.0 523.114 -2 2 10 0 10340.0 523.114 1 2 10 1 612.506 251.434 1 -2 -10 0 4068.17 420.845 -2 -2 -10 -1 4068.17 420.845 1 2 10 2 2475.12 258.151 1 2 10 3 1208.40 258.995 1 2 10 4 1374.69 269.506 1 2 10 5 174.481 254.765 1 2 10 6 4441.59 269.255 1 2 10 7 9495.00 444.020 1 2 10 8 11531.0 339.352 1 2 10 9 3393.53 294.186 1 2 10 10 791.439 228.512 1 2 10 11 136.890 204.906 1 2 10 12 310.935 202.735 1 2 10 13 1610.16 183.116 1 2 10 14 183.851 155.033 1 2 10 15-11.8247 134.938 1 2 10 16 87.2280 140.246 1 -2 -11 22 252.316 134.110 1 -2 -10 23 402.143 143.844 -2 -2 -11 22 402.143 143.844 1 2 11 -21 436.315 123.768 1 -2 -10 22 494.679 193.535 -2 -2 -11 21 494.679 193.535 1 2 10 -21 2215.51 241.019 -2 2 11 -20 2215.51 241.019 1 2 10 -20 2648.00 264.905 -2 2 11 -19 2648.00 264.905 1 2 10 -19 505.301 285.005 -2 2 11 -18 505.301 285.005 1 -2 -11 17 2538.75 245.670 1 -2 -10 18 4105.13 309.737 -2 -2 -11 17 4105.13 309.737 1 2 11 -16 212.112 214.457 1 2 11 -15 183.792 226.078 1 -2 -11 14 1968.52 243.387 1 2 11 -13 4196.50 259.399 1 -2 -11 12 9368.16 281.001 1 -2 -11 11 4539.98 232.833 1 -2 -11 10 444.958 221.046 1 2 11 -9 279.807 269.382 1 2 11 -8 13055.5 604.368 1 2 11 -9 13138.4 1013.79 -2 2 11 -8 13138.4 1013.79 1 2 11 -8 5929.56 384.195 -2 2 11 -7 5929.56 384.195 1 2 11 -7 878.412 387.953 -2 2 11 -6 878.412 387.953 1 -2 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2 12 11 194.461 167.946 1 2 12 12 8.88568 142.055 1 2 12 13 148.458 138.980 1 -2 -13 20 233.613 124.348 1 -2 -12 21 395.258 153.735 -2 -2 -13 20 395.258 153.735 1 2 13 -19-8.05394 136.821 1 -2 -12 20 107.412 169.252 -2 -2 -13 19 107.412 169.252 1 -2 -13 18 1179.97 166.206 1 -2 -13 17 1365.36 165.955 1 2 13 -16 643.970 181.008 1 -2 -13 15 1651.15 196.022 1 -2 -13 14 5442.40 223.980 1 -2 -13 13 144.705 211.168 1 -2 -13 12 319.942 201.639 1 2 13 -11 713.583 221.715 1 2 13 -10 549.648 220.402 1 2 13 -9 151.031 227.945 1 2 13 -10 489.310 271.998 -2 2 13 -9 489.310 271.998 1 2 13 -9 105.142 311.555 -2 2 13 -8 105.142 311.555 1 2 13 -8 184.706 315.606 -2 2 13 -7 184.706 315.606 1 2 13 -7 214.041 287.615 -2 2 13 -6 214.041 287.615 1 2 13 -6 442.306 298.071 -2 2 13 -5 442.306 298.071 1 2 13 -5 675.821 310.108 -2 2 13 -4 675.821 310.108 1 2 13 -4 653.665 313.496 -2 2 13 -3 653.665 313.496 1 2 13 -3 2645.02 324.845 -2 2 13 -2 2645.02 324.845 1 2 13 -2 1393.23 319.921 -2 2 13 -1 1393.23 319.921 1 2 13 0 103.377 253.648 1 2 13 -1 22.8841 287.523 -2 2 13 0 22.8841 287.523 1 2 13 1 59.2837 245.095 1 2 13 2-36.9466 233.790 1 2 13 3 49.3800 227.573 1 2 13 4 350.526 220.292 1 2 13 5 2281.06 259.796 1 2 13 6 4918.78 222.566 1 2 13 7 107.906 192.246 1 2 13 8 384.052 179.233 1 2 13 9 45.1542 176.704 1 2 13 10 732.954 154.133 1 2 13 11 73.7709 119.393 1 2 14 -19 50.2103 96.0166 1 -2 -14 18 912.388 119.840 1 -2 -14 17 105.992 125.960 1 2 14 -16 759.630 147.713 1 2 14 -15 1002.79 161.254 1 -2 -14 14 91.1296 166.760 1 2 14 -13 94.8083 191.759 1 2 14 -12 1199.24 190.341 1 2 14 -11 709.790 197.828 1 2 14 -10 2704.07 214.747 1 2 14 -9 404.008 217.252 1 2 14 -10 1814.31 264.965 -2 2 14 -9 1814.31 264.965 1 2 14 -8 320.351 188.939 1 2 14 -9 425.623 297.804 -2 2 14 -8 425.623 297.804 1 2 14 -8 33.1209 271.378 -2 2 14 -7 33.1209 271.378 1 2 14 -7 321.451 314.766 -2 2 14 -6 321.451 314.766 1 2 14 -6 1809.01 289.831 -2 2 14 -5 1809.01 289.831 1 2 14 -5 1946.36 296.613 -2 2 14 -4 1946.36 296.613 1 2 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296.457 218.172 -2 2 16 -3 296.457 218.172 1 2 16 -2 981.808 143.760 1 2 16 -3 955.053 205.718 -2 2 16 -2 955.053 205.718 1 2 16 -1 195.930 146.563 1 2 16 0 840.251 150.033 1 2 16 1 273.229 141.322 1 2 16 2 1287.22 145.296 1 2 16 3 1377.71 132.981 1 2 16 4 433.181 135.188 1 2 17 -10 848.500 108.629 1 2 17 -9 531.560 107.444 1 2 17 -8 458.255 113.845 1 2 17 -9 655.626 150.529 -2 2 17 -8 655.626 150.529 1 2 17 -8 491.970 240.098 -2 2 17 -7 491.970 240.098 1 2 17 -7 1891.85 178.617 -2 2 17 -6 1891.85 178.617 1 2 17 -5 443.963 121.112 1 2 17 -4 271.570 115.993 1 2 17 -3 92.1990 104.328 1 2 17 -2 536.408 119.657 1 2 17 -1 856.204 119.586 1 -3 19 -3 445.117 138.819 -2 -3 19 -2 445.117 138.819 1 -3 19 -4 1056.54 150.612 -2 -3 19 -3 1056.54 150.612 1 -3 19 -5 917.880 146.020 -2 -3 19 -4 917.880 146.020 1 -3 19 -6 120.394 144.943 -2 -3 19 -5 120.394 144.943 1 -3 19 -6-13.4822 103.190 1 -3 18 4 277.186 129.837 1 -3 18 3 77.9163 140.734 1 -3 18 2 354.322 129.909 1 -3 18 1-0.40289 128.420 1 -3 18 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2676.85 329.727 -2 -3 16 0 2676.85 329.727 1 -3 16 -2 4805.35 341.819 -2 -3 16 -1 4805.35 341.819 1 -3 16 -3 1842.68 318.735 -2 -3 16 -2 1842.68 318.735 1 -3 16 -4 1371.91 312.955 -2 -3 16 -3 1371.91 312.955 1 -3 16 -5 4409.13 329.790 -2 -3 16 -4 4409.13 329.790 1 -3 16 -6 3169.70 291.495 -2 -3 16 -5 3169.70 291.495 1 -3 16 -7-30.1601 276.416 -2 -3 16 -6-30.1601 276.416 1 -3 16 -8 260.223 274.218 -2 -3 16 -7 260.223 274.218 1 -3 16 -8 44.4232 195.876 1 -3 16 -9 360.376 188.533 1 -3 16 -10 1155.93 185.607 1 -3 16 -11 100.597 161.210 1 -3 16 -12 470.506 149.846 1 -3 16 -13 277.126 148.176 1 -3 16 -14 1249.87 141.083 1 -3 16 -15-13.0782 117.916 1 -3 16 -16 213.386 104.347 1 -3 15 12 770.333 132.989 1 -3 15 11 369.384 164.283 1 -3 15 10 588.596 191.814 1 -3 15 9 1080.11 212.367 1 -3 15 8 89.7428 236.513 1 -3 15 7 383.069 263.581 1 -3 15 6 361.222 273.251 1 -3 15 5 744.686 248.462 1 -3 15 4 317.184 252.137 1 -3 15 3 1845.50 257.408 1 -3 15 2 3354.26 357.663 -2 -3 15 3 3354.26 357.663 1 -3 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5551.15 272.535 1 -3 7 5 13127.5 293.113 1 -3 7 4 2364.83 227.634 1 -3 7 3 376.007 196.871 1 -3 7 2 920.416 343.029 1 -3 7 2 1626.03 256.638 -2 -3 7 2 1626.03 256.638 1 3 -7 -1 6280.95 200.299 1 -3 7 1 8879.62 319.233 -2 -3 7 1 8879.62 319.233 1 -3 7 0 610.368 203.974 1 -3 7 0 825.338 330.494 -2 -3 7 0 825.338 330.494 1 -3 7 -1 1926.05 215.752 1 -3 7 -1 3046.21 343.143 -2 -3 7 -1 3046.21 343.143 1 -3 7 -2 266.589 219.200 1 3 -7 3 6502.25 268.322 1 -3 7 -4 10497.7 432.593 1 -3 7 -4 13931.9 436.401 -2 -3 7 -4 13931.9 436.401 1 -3 7 -5 304.728 247.683 1 -3 7 -6 9412.50 344.587 1 -3 7 -6 13336.0 590.751 -2 -3 7 -6 13336.0 590.751 1 -3 7 -7 8338.81 338.220 1 -3 7 -7 11263.6 580.815 -2 -3 7 -7 11263.6 580.815 1 -3 7 -8 1721.76 283.352 1 -3 7 -8 2288.58 809.251 -2 -3 7 -8 2288.58 809.251 1 -3 7 -9 638.438 255.767 1 -3 7 -9 968.784 550.092 -2 -3 7 -9 968.784 550.092 1 -3 7 -10 172.253 265.463 1 -3 7 -10 244.305 816.607 -2 -3 7 -10 244.305 816.607 1 -3 7 -11 224.662 289.532 1 -3 7 -11 680.550 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10539.8 563.078 1 4 3 -9 27032.6 452.665 1 -4 -3 8 375.333 225.166 1 -4 -3 7 4491.28 300.595 1 4 3 -6 3319.95 216.457 1 4 3 -5 1528.84 127.922 1 4 3 -4 33675.4 946.570 1 -4 -3 4 50379.2 299.570 -2 -4 -3 4 50379.2 299.570 1 -4 -3 3 42617.6 442.953 1 -4 -3 3 60642.1 300.301 -2 -4 -3 3 60642.1 300.301 1 -4 -3 2 5107.68 198.982 1 -4 -3 2 7024.09 156.431 -2 -4 -3 2 7024.09 156.431 1 -4 -3 1 47725.8 302.379 1 4 3 0 2595.85 170.627 1 -4 -3 -1 5636.72 242.927 1 -4 -3 -2 21078.8 1120.18 1 4 3 3 4599.26 260.497 1 4 3 4 1101.14 241.825 1 4 3 5 75944.1 681.146 1 4 3 6 2675.44 306.393 1 4 3 7 8699.43 376.972 1 4 3 8 25352.3 953.159 1 4 3 9 10132.6 745.879 1 4 3 10 5503.65 417.194 1 4 3 11 3457.47 274.203 1 4 4 10 3568.62 309.904 -2 4 3 11 3568.62 309.904 1 4 3 12 427.030 329.816 1 4 4 11 1754.56 327.989 -2 4 3 12 1754.56 327.989 1 4 4 12 6829.50 355.506 -2 4 3 13 6829.50 355.506 1 4 4 13 2007.41 345.196 -2 4 3 14 2007.41 345.196 1 4 4 14 495.732 340.575 -2 4 3 15 495.732 340.575 1 4 4 15 1005.85 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6262.40 480.223 1 7 5 -9 2166.33 641.871 -2 7 5 -8 2166.33 641.871 1 7 5 -8 2531.71 633.176 -2 7 5 -7 2531.71 633.176 1 7 5 -7 941.067 609.110 -2 7 5 -6 941.067 609.110 1 7 5 -6 198.043 404.919 -2 7 5 -5 198.043 404.919 1 7 5 -5 8932.20 673.987 -2 7 5 -4 8932.20 673.987 1 7 5 -4 4979.26 674.531 -2 7 5 -3 4979.26 674.531 1 7 5 -3 3044.15 702.087 -2 7 5 -2 3044.15 702.087 1 7 5 -2 13128.3 727.879 -2 7 5 -1 13128.3 727.879 1 -7 -5 0 1915.56 360.166 1 7 5 1 10488.9 395.604 1 7 5 2 45.8609 261.510 1 7 5 3 1243.65 258.726 1 7 5 4 1842.81 273.640 1 7 5 5 541.128 233.270 1 7 5 6 695.994 241.902 1 7 5 7 214.644 242.183 1 7 5 8 2305.93 240.702 1 7 5 9-1.33536 237.843 1 7 5 10 857.379 236.948 1 7 5 11 807.661 236.168 1 7 6 10 3372.52 296.504 -2 7 5 11 3372.52 296.504 1 7 6 11 322.570 269.180 -2 7 5 12 322.570 269.180 1 7 6 12 21.0855 275.717 -2 7 5 13 21.0855 275.717 1 7 6 13 594.071 237.653 -2 7 5 14 594.071 237.653 1 7 6 14 2946.87 281.087 -2 7 5 15 2946.87 281.087 1 -7 -6 24 126.874 115.199 1 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670.074 219.773 1 7 7 10 49.9354 196.624 1 7 7 11 997.244 193.556 1 7 7 12 215.148 158.590 1 7 7 13 333.851 132.085 1 -7 -8 23 687.076 113.371 1 7 8 -22 291.084 131.636 1 7 7 -22 450.966 201.490 -2 7 8 -21 450.966 201.490 1 -7 -7 21 4670.57 230.040 -2 -7 -8 20 4670.57 230.040 1 -7 -7 20 1943.12 292.991 -2 -7 -8 19 1943.12 292.991 1 7 7 -19 113.620 256.980 -2 7 8 -18 113.620 256.980 1 -7 -8 17 314.194 227.246 1 -7 -8 16 261.899 244.936 1 -7 -8 15 103.973 246.308 1 -7 -8 14 209.052 263.531 1 -7 -8 13 138.565 246.293 1 -7 -8 12 193.263 253.284 1 7 8 -11 3467.16 289.550 1 7 8 -10 1900.54 274.978 1 7 8 -10 14235.8 890.341 -2 7 8 -9 14235.8 890.341 1 7 8 -9 13091.3 328.952 -2 7 8 -8 13091.3 328.952 1 7 8 -8 3643.85 329.458 -2 7 8 -7 3643.85 329.458 1 7 8 -7 459.911 316.653 -2 7 8 -6 459.911 316.653 1 7 8 -6 2278.38 244.602 -2 7 8 -5 2278.38 244.602 1 7 8 -5 2440.95 315.900 -2 7 8 -4 2440.95 315.900 1 7 8 -4 833.954 303.961 -2 7 8 -3 833.954 303.961 1 7 8 -3 661.052 299.935 -2 7 8 -2 661.052 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173.868 1 -7 -11 13 443.975 180.520 1 7 11 -12 4969.35 212.557 1 -7 -11 11 375.146 198.349 1 -7 -11 10 5067.04 204.765 1 7 11 -11 5427.23 280.627 -2 7 11 -10 5427.23 280.627 1 7 11 -10 4814.32 296.862 -2 7 11 -9 4814.32 296.862 1 7 11 -9 1441.74 259.490 -2 7 11 -8 1441.74 259.490 1 7 11 -8 244.476 266.704 -2 7 11 -7 244.476 266.704 1 7 11 -7 5338.91 291.793 -2 7 11 -6 5338.91 291.793 1 7 11 -6 6971.52 312.939 -2 7 11 -5 6971.52 312.939 1 7 11 -5 1982.36 274.692 -2 7 11 -4 1982.36 274.692 1 7 11 -4 9472.68 309.393 -2 7 11 -3 9472.68 309.393 1 7 11 -2 1788.43 201.254 1 7 11 -3 6083.23 293.430 -2 7 11 -2 6083.23 293.430 1 7 11 -1 202.847 194.354 1 7 11 0 404.770 185.217 1 7 11 1 383.731 177.914 1 7 11 2 433.154 159.933 1 7 11 3-13.5241 155.049 1 7 11 4 587.981 145.900 1 7 11 5 894.248 131.571 1 7 11 6 13.4319 108.018 1 -7 -12 17 957.604 113.395 1 -7 -12 16 1111.87 129.079 1 7 12 -15 7.43628 134.632 1 -7 -12 14 1229.52 135.976 1 7 12 -13 608.889 143.355 1 7 12 -12 1107.42 151.021 1 7 12 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539.449 421.491 -2 -8 10 -4 539.449 421.491 1 -8 10 -5 226.515 244.478 1 -8 10 -5 286.682 389.519 -2 -8 10 -5 286.682 389.519 1 -8 10 -6 3405.36 232.846 1 -8 10 -6 4854.76 451.385 -2 -8 10 -6 4854.76 451.385 1 -8 10 -7 6779.15 253.973 1 -8 10 -7 8655.64 472.025 -2 -8 10 -7 8655.64 472.025 1 -8 10 -8 624.613 235.522 1 8 -10 8 459.219 343.838 -2 8 -10 8 459.219 343.838 1 -8 10 -9 4307.76 258.852 1 8 -10 9 5300.12 350.254 -2 8 -10 9 5300.12 350.254 1 -8 10 -10 40.7086 232.467 1 8 -10 10 156.388 327.309 -2 8 -10 10 156.388 327.309 1 -8 10 -11 1243.17 231.961 1 8 -10 11 1164.42 308.036 -2 8 -10 11 1164.42 308.036 1 -8 10 -12-11.8620 220.198 1 -8 10 -13 1019.68 198.737 1 -8 10 -14 477.861 206.276 1 8 -10 15 2364.20 186.775 1 -8 10 -16 187.900 161.214 1 8 -10 17 403.138 143.925 1 8 -10 18 593.830 111.046 1 -8 9 21 20.2972 123.385 1 -8 10 20 43.3712 199.689 -2 -8 9 21 43.3712 199.689 1 -8 10 19 162.162 244.590 -2 -8 9 20 162.162 244.590 1 -8 10 18 470.749 288.250 -2 -8 9 19 470.749 288.250 1 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7175.12 325.652 -2 8 8 -2 7175.12 325.652 1 8 8 -1 7084.06 245.700 1 8 8 -2 9932.12 360.073 -2 8 8 -1 9932.12 360.073 1 8 8 0 250.815 223.977 1 8 8 1 14373.1 288.218 1 8 8 2 455.615 217.667 1 8 8 3 5062.76 238.411 1 8 8 4 1435.36 222.680 1 8 8 5 2322.87 222.974 1 8 8 6 1718.75 198.934 1 8 8 7 75.4674 170.130 1 8 8 8 420.436 146.142 1 8 8 9 63.7187 148.678 1 8 8 10 74.9738 124.880 1 8 8 -22 167.186 138.050 -2 8 9 -21 167.186 138.050 1 8 8 -21 1275.25 165.644 -2 8 9 -20 1275.25 165.644 1 -8 -9 19 150.221 150.053 1 -8 -9 18 1425.64 181.017 1 -8 -9 17 1286.54 192.694 1 -8 -9 16 542.423 211.771 1 -8 -9 15 2818.50 240.113 1 -8 -9 14 1077.78 211.558 1 -8 -9 13 317.826 222.925 1 8 9 -12 108.315 222.745 1 -8 -9 11 65.2809 228.016 1 8 9 -11 2916.56 374.279 -2 8 9 -10 2916.56 374.279 1 8 9 -10 3585.25 295.871 -2 8 9 -9 3585.25 295.871 1 8 9 -9 979.619 293.696 -2 8 9 -8 979.619 293.696 1 8 9 -8 375.157 301.739 -2 8 9 -7 375.157 301.739 1 8 9 -7 1296.39 298.385 -2 8 9 -6 1296.39 298.385 1 8 9 -6 1511.19 285.715 -2 8 9 -5 1511.19 285.715 1 8 9 -5 368.398 283.455 -2 8 9 -4 368.398 283.455 1 8 9 -4 2568.44 299.952 -2 8 9 -3 2568.44 299.952 1 8 9 -2 6.20128 226.278 1 8 9 -3 1043.03 298.231 -2 8 9 -2 1043.03 298.231 1 8 9 -1 7230.90 244.356 1 8 9 0 3555.87 227.316 1 8 9 1 3416.16 221.324 1 8 9 2 3061.58 209.387 1 8 9 3 237.038 198.255 1 8 9 4 196.410 192.996 1 8 9 5 18.8375 172.451 1 8 9 6 365.337 160.703 1 8 9 7 41.5135 129.441 1 8 9 8 500.147 127.691 1 -8 -10 19 1164.20 122.425 1 8 10 -18 108.070 137.029 1 -8 -10 17 244.246 158.073 1 -8 -10 16 1509.32 180.516 1 -8 -10 15 4280.49 208.505 1 -8 -10 14 739.238 180.284 1 -8 -10 13 628.479 192.789 1 -8 -10 12 3592.86 218.550 1 -8 -10 11 346.246 214.755 1 8 10 -12 1959.83 253.778 -2 8 10 -11 1959.83 253.778 1 -8 -10 11 2082.06 263.105 -2 -8 -10 10 2082.06 263.105 1 -8 -10 10 5820.67 294.602 -2 -8 -10 9 5820.67 294.602 1 8 10 -9 2146.27 271.162 -2 8 10 -8 2146.27 271.162 1 8 10 -8 819.634 274.071 -2 8 10 -7 819.634 274.071 1 8 10 -7 4353.03 293.083 -2 8 10 -6 4353.03 293.083 1 8 10 -6 5055.32 297.930 -2 8 10 -5 5055.32 297.930 1 8 10 -5 4814.95 298.348 -2 8 10 -4 4814.95 298.348 1 8 10 -4 3595.03 288.136 -2 8 10 -3 3595.03 288.136 1 8 10 -2 2136.89 216.779 1 8 10 -3 2809.30 283.254 -2 8 10 -2 2809.30 283.254 1 8 10 -1 48.5273 190.873 1 8 10 0 2202.89 196.490 1 8 10 1 877.892 167.587 1 8 10 2 2316.47 173.042 1 8 10 3 402.053 154.310 1 8 10 4 2032.77 150.907 1 8 10 5 926.994 134.089 1 8 10 6-5.08000 108.577 1 8 11 -18 363.325 100.186 1 8 11 -17 103.778 116.416 1 8 11 -16 112.239 134.872 1 8 11 -15 69.0817 144.312 1 8 11 -14 392.048 142.087 1 -8 -11 13 192.877 154.159 1 -8 -11 12 3538.17 173.073 1 -8 -11 11 3187.12 174.681 1 8 11 -12 4751.18 225.787 -2 8 11 -11 4751.18 225.787 1 -8 -11 10 749.758 141.071 1 8 11 -11 2053.20 247.688 -2 8 11 -10 2053.20 247.688 1 8 11 -10 5711.54 266.601 -2 8 11 -9 5711.54 266.601 1 8 11 -9 4421.81 239.732 -2 8 11 -8 4421.81 239.732 1 8 11 -8 2460.85 242.005 -2 8 11 -7 2460.85 242.005 1 8 11 -7 821.633 248.525 -2 8 11 -6 821.633 248.525 1 8 11 -6 425.222 240.135 -2 8 11 -5 425.222 240.135 1 8 11 -5 2277.55 247.085 -2 8 11 -4 2277.55 247.085 1 8 11 -3 1271.63 191.181 1 8 11 -4 1953.30 248.915 -2 8 11 -3 1953.30 248.915 1 8 11 -2 2397.76 252.130 1 8 11 -1 7658.28 191.780 1 8 11 0 123.404 151.181 1 8 11 1 202.476 131.827 1 8 11 2 304.832 140.399 1 8 11 3 198.327 126.362 1 8 11 4 26.7751 105.508 1 8 12 -15 548.670 112.649 1 8 12 -14 304.241 103.850 1 8 12 -13 244.931 113.380 1 8 12 -12 122.203 122.074 1 8 12 -11 828.486 140.191 1 8 12 -12 1030.18 171.889 -2 8 12 -11 1030.18 171.889 1 8 12 -10 307.756 145.513 1 8 12 -11 796.039 197.177 -2 8 12 -10 796.039 197.177 1 8 12 -10 208.730 196.494 -2 8 12 -9 208.730 196.494 1 8 12 -9 680.138 175.505 -2 8 12 -8 680.138 175.505 1 8 12 -8 1377.63 213.043 -2 8 12 -7 1377.63 213.043 1 8 12 -7 2909.14 201.767 -2 8 12 -6 2909.14 201.767 1 8 12 -5 502.366 141.773 1 8 12 -6 1631.68 216.113 -2 8 12 -5 1631.68 216.113 1 8 12 -4 928.508 147.006 1 8 12 -5 1121.14 208.492 -2 8 12 -4 1121.14 208.492 1 8 12 -3 1610.80 182.223 1 8 12 -2 2293.90 140.378 1 8 12 -1 3961.57 144.217 1 8 12 0 253.426 102.944 1 8 12 1 381.523 103.014 1 8 13 -11 43.1544 94.0930 1 8 13 -10 689.558 94.2665 1 8 13 -11 743.193 138.307 -2 8 13 -10 743.193 138.307 1 8 13 -9 35.2916 87.9291 1 8 13 -10 423.939 150.507 -2 8 13 -9 423.939 150.507 1 8 13 -8 1430.80 85.7171 1 8 13 -9 1459.65 163.936 -2 8 13 -8 1459.65 163.936 1 8 13 -8 831.197 162.681 -2 8 13 -7 831.197 162.681 1 8 13 -6 96.4921 84.3380 1 8 13 -7 103.188 154.658 -2 8 13 -6 103.188 154.658 1 8 13 -5 992.931 96.1563 1 8 13 -6 1247.49 153.342 -2 8 13 -5 1247.49 153.342 1 8 13 -4 582.222 100.110 1 9 -19 2 281.422 123.899 -2 9 -19 1 281.422 123.899 1 -9 18 6 254.841 130.985 1 -9 18 5-19.4465 131.984 1 9 -18 -4 17.4150 155.225 1 9 -18 -3 749.118 369.825 1 9 -18 -2 350.897 180.208 1 -9 18 1 1045.86 211.282 -2 -9 18 2 1045.86 211.282 1 9 -18 -1-46.5773 169.430 1 -9 18 0 61.2064 200.850 -2 -9 18 1 61.2064 200.850 1 -9 18 -1 138.647 190.161 -2 -9 18 0 138.647 190.161 1 -9 18 -2 280.695 193.265 -2 -9 18 -1 280.695 193.265 1 -9 18 -3 196.051 174.767 -2 -9 18 -2 196.051 174.767 1 -9 18 -4 188.531 170.965 -2 -9 18 -3 188.531 170.965 1 -9 18 -5 322.948 181.453 -2 -9 18 -4 322.948 181.453 1 -9 18 -6 135.605 156.945 -2 -9 18 -5 135.605 156.945 1 -9 18 -7 600.562 189.385 -2 -9 18 -6 600.562 189.385 1 -9 18 -7 364.853 149.890 1 -9 18 -8 218.638 98.9898 1 -9 17 10 36.0364 121.784 1 -9 17 9 61.2055 139.088 1 -9 17 8 51.6482 153.821 1 -9 17 7 292.330 158.852 1 -9 17 6 528.196 201.564 1 -9 17 5 132.779 184.170 1 -9 17 4 101.181 188.891 -2 -9 17 5 101.181 188.891 1 -9 17 3 70.3796 228.413 -2 -9 17 4 70.3796 228.413 1 -9 17 2 942.673 269.782 -2 -9 17 3 942.673 269.782 1 -9 17 1 2116.11 272.616 -2 -9 17 2 2116.11 272.616 1 -9 17 0 768.504 262.104 -2 -9 17 1 768.504 262.104 1 -9 17 -1 15.3767 242.483 -2 -9 17 0 15.3767 242.483 1 -9 17 -2 192.334 234.320 -2 -9 17 -1 192.334 234.320 1 -9 17 -3 642.480 244.022 -2 -9 17 -2 642.480 244.022 1 -9 17 -4 591.169 230.100 -2 -9 17 -3 591.169 230.100 1 -9 17 -5 819.726 219.468 -2 -9 17 -4 819.726 219.468 1 -9 17 -5 380.501 135.926 1 -9 17 -6 552.056 216.087 -2 -9 17 -5 552.056 216.087 1 -9 17 -6 80.6803 117.447 1 -9 17 -7 71.1324 213.232 -2 -9 17 -6 71.1324 213.232 1 -9 17 -7 86.8499 134.678 1 -9 17 -8 115.243 133.293 1 -9 17 -9 26.9217 113.535 1 -9 17 -10 143.593 78.2817 1 -9 16 12 146.381 129.688 1 -9 16 11-0.07456 147.530 1 -9 16 10 89.0638 172.544 1 -9 16 9 123.166 180.668 1 -9 16 8 20.7972 194.363 1 -9 16 7-1.63126 196.832 1 -9 16 6 265.977 218.983 1 -9 16 5 245.140 242.104 -2 -9 16 6 245.140 242.104 1 -9 16 5 229.899 211.506 1 -9 16 4 1860.60 339.326 -2 -9 16 5 1860.60 339.326 1 -9 16 3 6968.17 345.866 -2 -9 16 4 6968.17 345.866 1 -9 16 2 5115.43 592.748 -2 -9 16 3 5115.43 592.748 1 -9 16 1 311.417 312.881 -2 -9 16 2 311.417 312.881 1 -9 16 0 299.680 278.006 -2 -9 16 1 299.680 278.006 1 -9 16 -1 449.205 285.329 -2 -9 16 0 449.205 285.329 1 -9 16 -2 980.999 283.789 -2 -9 16 -1 980.999 283.789 1 -9 16 -3 286.064 273.478 -2 -9 16 -2 286.064 273.478 1 -9 16 -4 584.367 273.329 -2 -9 16 -3 584.367 273.329 1 -9 16 -5 624.247 264.087 -2 -9 16 -4 624.247 264.087 1 -9 16 -5 850.166 166.212 1 -9 16 -6 698.687 259.931 -2 -9 16 -5 698.687 259.931 1 -9 16 -6 98.1055 168.380 1 -9 16 -7 266.805 265.986 -2 -9 16 -6 266.805 265.986 1 -9 16 -7 81.7496 167.976 1 -9 16 -8 82.0877 160.386 1 -9 16 -9 48.8995 142.669 1 -9 16 -10 140.615 130.936 1 -9 16 -11-34.3158 117.613 1 -9 16 -12 297.260 103.362 1 -9 15 14 191.898 118.614 1 -9 15 13-81.9841 148.344 1 -9 15 12 9.69371 177.734 1 -9 15 11 120.480 192.201 1 -9 15 10 12.3240 202.927 1 -9 15 9 438.744 210.272 1 -9 15 8 74.9247 222.245 1 -9 15 7 367.995 227.125 1 -9 15 6 673.038 241.616 1 -9 15 5 937.251 315.317 -2 -9 15 6 937.251 315.317 1 -9 15 5 694.096 238.422 1 -9 15 4 1306.38 314.006 -2 -9 15 5 1306.38 314.006 1 -9 15 3 1675.86 313.119 -2 -9 15 4 1675.86 313.119 1 -9 15 2 2736.13 364.856 -2 -9 15 3 2736.13 364.856 1 -9 15 1 1923.00 324.317 -2 -9 15 2 1923.00 324.317 1 -9 15 0 2087.29 327.666 -2 -9 15 1 2087.29 327.666 1 -9 15 -1 232.935 322.004 -2 -9 15 0 232.935 322.004 1 -9 15 -2 143.636 309.785 -2 -9 15 -1 143.636 309.785 1 -9 15 -3 499.123 309.529 -2 -9 15 -2 499.123 309.529 1 -9 15 -4 945.601 309.550 -2 -9 15 -3 945.601 309.550 1 -9 15 -5 450.485 291.405 -2 -9 15 -4 450.485 291.405 1 -9 15 -5 154.526 188.548 1 -9 15 -6 276.696 280.447 -2 -9 15 -5 276.696 280.447 1 -9 15 -6 184.359 197.487 1 -9 15 -7-29.5158 200.379 1 -9 15 -8 182.683 194.384 1 -9 15 -9 878.207 219.607 1 -9 15 -10 109.417 164.593 1 -9 15 -11 561.898 148.905 1 -9 15 -12 893.919 135.464 1 -9 15 -13 295.230 110.092 1 -9 15 -14 691.088 89.3230 1 -9 14 16 53.4535 134.043 1 -9 14 15 736.024 145.003 1 -9 14 14 70.9348 172.933 1 -9 14 13 172.638 207.172 1 -9 14 12 255.275 226.199 1 -9 14 11 383.965 234.982 1 -9 14 10-95.5914 230.988 1 -9 14 9 888.844 245.454 1 -9 14 8 802.956 244.344 1 -9 14 7 533.464 253.829 1 -9 14 6 565.296 261.522 1 -9 14 5 1062.23 344.653 -2 -9 14 6 1062.23 344.653 1 -9 14 5 1542.85 274.928 1 -9 14 4 1812.15 372.963 -2 -9 14 5 1812.15 372.963 1 -9 14 3 242.437 334.192 -2 -9 14 4 242.437 334.192 1 -9 14 3 215.058 196.882 1 -9 14 2 587.765 368.880 -2 -9 14 3 587.765 368.880 1 -9 14 1 6086.77 384.389 -2 -9 14 2 6086.77 384.389 1 -9 14 0 15908.6 412.285 -2 -9 14 1 15908.6 412.285 1 -9 14 -1 4273.15 350.113 -2 -9 14 0 4273.15 350.113 1 -9 14 -2 331.134 325.387 -2 -9 14 -1 331.134 325.387 1 -9 14 -3-3.66777 323.965 -2 -9 14 -2-3.66777 323.965 1 -9 14 -4 179.604 316.466 -2 -9 14 -3 179.604 316.466 1 -9 14 -4-59.3684 205.283 1 -9 14 -5 99.1494 318.853 -2 -9 14 -4 99.1494 318.853 1 -9 14 -5 70.9763 228.397 1 -9 14 -6 295.013 312.153 -2 -9 14 -5 295.013 312.153 1 -9 14 -6 726.514 232.901 1 -9 14 -7 761.772 227.683 1 -9 14 -8 62.7909 222.904 1 -9 14 -9 604.036 214.969 1 -9 14 -10 574.440 197.638 1 -9 14 -11 663.303 182.061 1 -9 14 -12 59.2989 149.200 1 -9 14 -13 13.1824 137.637 1 -9 14 -14 378.133 107.493 1 -9 14 -15-139.032 99.4486 1 -9 13 17 200.264 155.525 1 -9 13 16 585.827 194.991 1 -9 13 15 15.4224 185.424 1 -9 13 14 412.283 220.104 1 -9 13 13 624.488 240.883 1 -9 13 12 246.421 248.908 1 -9 13 11 43.0452 251.576 1 -9 13 10 346.054 268.920 1 -9 13 9 558.941 268.855 1 -9 13 8 83.8711 268.053 1 -9 13 7 3260.97 272.667 1 -9 13 6 6639.24 453.071 -2 -9 13 7 6639.24 453.071 1 -9 13 6 6311.33 295.524 1 -9 13 5 7069.48 460.626 -2 -9 13 6 7069.48 460.626 1 -9 13 5 39.9708 273.175 1 -9 13 4 216.027 308.598 -2 -9 13 5 216.027 308.598 1 -9 13 4 369.862 248.418 1 -9 13 3 933.532 335.753 -2 -9 13 4 933.532 335.753 1 -9 13 3 1150.80 233.177 1 -9 13 2 5062.81 577.302 -2 -9 13 3 5062.81 577.302 1 -9 13 1 9654.42 384.409 -2 -9 13 2 9654.42 384.409 1 -9 13 0 2691.95 353.508 -2 -9 13 1 2691.95 353.508 1 -9 13 -1 1869.12 350.206 -2 -9 13 0 1869.12 350.206 1 -9 13 -2 531.012 335.098 -2 -9 13 -1 531.012 335.098 1 -9 13 -2 309.862 224.427 1 -9 13 -3 301.412 314.088 -2 -9 13 -2 301.412 314.088 1 -9 13 -3 478.066 208.127 1 -9 13 -4 616.650 333.659 -2 -9 13 -3 616.650 333.659 1 -9 13 -4 334.730 239.168 1 -9 13 -5 371.760 328.528 -2 -9 13 -4 371.760 328.528 1 -9 13 -5 206.614 234.222 1 -9 13 -6 341.010 241.259 1 -9 13 -7 498.884 242.900 1 -9 13 -8 437.755 238.749 1 -9 13 -9 1095.30 238.554 1 -9 13 -10 21.8410 212.985 1 -9 13 -11 705.403 200.171 1 -9 13 -12 110.302 177.069 1 -9 13 -13 151.317 150.939 1 -9 13 -14 447.513 125.886 1 -9 13 -15 180.239 127.829 1 9 -13 16-32.8021 99.8241 1 -9 12 18 247.806 192.784 1 -9 13 17 393.478 184.886 -2 -9 12 18 393.478 184.886 1 -9 12 17 703.884 208.707 1 -9 12 16 7.99929 229.911 1 -9 12 15 922.586 227.306 1 -9 12 14 18.2036 242.506 1 -9 12 13 1097.90 263.579 1 -9 12 12 149.927 274.290 1 -9 12 11 1100.08 272.245 1 -9 12 10 92.0213 273.212 1 -9 12 9 2021.08 288.296 1 -9 12 8 69.1412 258.510 1 -9 12 7 459.650 255.275 1 -9 12 6 4562.82 435.951 -2 -9 12 7 4562.82 435.951 1 -9 12 6 7398.61 313.204 1 -9 12 5 8380.42 395.810 -2 -9 12 6 8380.42 395.810 1 -9 12 5 1005.16 252.219 1 -9 12 4 1751.08 434.509 -2 -9 12 5 1751.08 434.509 1 -9 12 4 834.617 237.271 1 -9 12 3 2158.96 443.978 -2 -9 12 4 2158.96 443.978 1 -9 12 3 1536.51 230.175 1 -9 12 2 2047.13 355.967 -2 -9 12 3 2047.13 355.967 1 -9 12 1 1634.31 344.484 -2 -9 12 2 1634.31 344.484 1 -9 12 0 3998.32 356.913 -2 -9 12 1 3998.32 356.913 1 -9 12 -1 5395.98 350.736 -2 -9 12 0 5395.98 350.736 1 -9 12 -1 237.529 244.107 1 -9 12 -2 413.651 307.288 -2 -9 12 -1 413.651 307.288 1 -9 12 -2 313.635 220.540 1 -9 12 -3 754.669 340.618 -2 -9 12 -2 754.669 340.618 1 -9 12 -3 463.777 222.969 1 -9 12 -4 830.815 340.532 -2 -9 12 -3 830.815 340.532 1 -9 12 -4 750.171 240.194 1 -9 12 -5 600.573 246.030 1 -9 12 -6 158.063 227.324 1 9 -12 6-49.0120 323.229 -2 9 -12 6-49.0120 323.229 1 -9 12 -7 133.541 229.587 1 9 -12 7 41.5074 329.690 -2 9 -12 7 41.5074 329.690 1 -9 12 -8 879.683 235.323 1 9 -12 8 942.258 328.102 -2 9 -12 8 942.258 328.102 1 -9 12 -9 433.876 222.545 1 9 -12 9 556.896 305.233 -2 9 -12 9 556.896 305.233 1 -9 12 -10 86.2952 224.249 1 9 -12 10 14.7192 251.780 -2 9 -12 10 14.7192 251.780 1 -9 12 -11 120.829 210.586 1 9 -12 11 171.702 261.189 -2 9 -12 11 171.702 261.189 1 -9 12 -12 250.215 196.322 1 -9 12 -13 1095.51 170.422 1 -9 12 -14 62.6494 148.038 1 -9 12 -15 1554.47 155.708 1 9 -12 16 641.056 121.518 1 -9 12 18 60.9386 209.376 -2 -9 11 19 60.9386 209.376 1 -9 12 17 438.592 252.281 -2 -9 11 18 438.592 252.281 1 -9 12 16 655.604 290.448 -2 -9 11 17 655.604 290.448 1 -9 11 16 5.90339 278.677 1 -9 12 15 725.840 297.354 -2 -9 11 16 725.840 297.354 1 -9 11 15 3026.53 259.125 1 -9 11 14 2138.22 272.268 1 -9 11 13 89.9993 285.249 1 -9 11 12 236.500 263.234 1 -9 11 11 1756.98 276.384 1 -9 11 10 51.0815 271.741 1 -9 11 9 2177.41 274.442 1 -9 11 8 1212.01 274.819 1 -9 11 7 6670.95 295.501 1 -9 11 6 7276.26 340.945 1 -9 11 5 8447.75 375.819 -2 -9 11 6 8447.75 375.819 1 -9 11 5 834.294 281.846 1 -9 11 4 1090.75 434.896 -2 -9 11 5 1090.75 434.896 1 -9 11 4 205.388 282.074 1 -9 11 3 3006.72 433.542 -2 -9 11 4 3006.72 433.542 1 9 -11 -3 3535.88 337.088 1 -9 11 2 6021.78 835.858 -2 -9 11 3 6021.78 835.858 1 -9 11 2 1072.11 276.039 1 -9 11 1 1585.12 585.433 -2 -9 11 2 1585.12 585.433 1 -9 11 1 83.1910 283.407 1 9 -11 0 122.331 497.025 1 -9 11 0 81.1619 340.413 -2 -9 11 0 81.1619 340.413 1 9 -11 1 96.4706 516.801 1 -9 11 -1 176.454 360.019 -2 -9 11 -1 176.454 360.019 1 9 -11 2 3387.87 358.612 1 -9 11 -2 4307.12 487.002 -2 -9 11 -2 4307.12 487.002 1 9 -11 3 5598.97 284.802 1 -9 11 -3 7860.99 416.024 -2 -9 11 -3 7860.99 416.024 1 -9 11 -4 1610.96 233.196 1 9 -11 4 2016.93 352.549 -2 9 -11 4 2016.93 352.549 1 -9 11 -5 2098.08 236.388 1 9 -11 5 2785.54 356.899 -2 9 -11 5 2785.54 356.899 1 -9 11 -6 613.473 236.009 1 9 -11 6 877.558 335.384 -2 9 -11 6 877.558 335.384 1 -9 11 -7 1455.52 237.705 1 9 -11 7 2014.16 336.206 -2 9 -11 7 2014.16 336.206 1 -9 11 -8 121.118 237.109 1 9 -11 8 4.07561 280.513 -2 9 -11 8 4.07561 280.513 1 -9 11 -9 181.458 233.911 1 9 -11 9 39.4190 283.123 -2 9 -11 9 39.4190 283.123 1 -9 11 -10 1258.19 236.948 1 9 -11 10 1985.99 317.953 -2 9 -11 10 1985.99 317.953 1 -9 11 -11 2409.74 226.432 1 9 -11 11 3478.95 302.244 -2 9 -11 11 3478.95 302.244 1 -9 11 -12 295.854 206.087 1 -9 11 -13 818.163 175.910 1 9 -11 14 1186.40 179.505 1 -9 11 -15 1188.19 143.699 1 9 -11 16 1976.66 225.130 1 9 -11 17 11.0187 97.9147 1 -9 11 19 89.5209 198.058 -2 -9 10 20 89.5209 198.058 1 -9 11 18 279.047 250.478 -2 -9 10 19 279.047 250.478 1 -9 11 17 831.137 506.743 -2 -9 10 18 831.137 506.743 1 -9 11 16 162.186 331.142 -2 -9 10 17 162.186 331.142 1 -9 10 16 645.830 309.610 1 -9 11 15 2249.51 332.776 -2 -9 10 16 2249.51 332.776 1 -9 10 15 990.941 295.586 1 -9 11 14 1891.09 312.583 -2 -9 10 15 1891.09 312.583 1 -9 10 14 832.051 260.970 1 -9 10 13 98.5720 262.864 1 -9 10 12 632.364 270.327 1 -9 10 11 40.0349 267.660 1 -9 10 10 2786.71 278.060 1 -9 10 9 949.348 272.595 1 9 -10 -8 1715.55 308.058 1 9 -10 -7 1825.72 307.680 1 -9 10 6 4708.63 355.295 1 -9 10 5 1328.67 431.591 1 -9 10 5 2651.40 366.714 -2 -9 10 5 2651.40 366.714 1 -9 10 4 703.176 425.459 1 -9 10 4 1869.43 353.350 -2 -9 10 4 1869.43 353.350 1 -9 10 3 492.045 386.371 -2 -9 10 3 492.045 386.371 1 -9 10 2 150.280 371.689 -2 -9 10 2 150.280 371.689 1 -9 10 1 24.3925 377.591 -2 -9 10 1 24.3925 377.591 1 -9 10 0 159.199 328.747 -2 -9 10 0 159.199 328.747 1 -9 10 -1 1944.38 349.471 -2 -9 10 -1 1944.38 349.471 1 9 -10 2 1798.59 521.846 1 -9 10 -2 2861.86 330.997 -2 -9 10 -2 2861.86 330.997 1 9 -10 3 1284.96 523.068 1 -9 10 -3 2020.98 356.397 -2 -9 10 -3 2020.98 356.397 1 9 -10 4-444.024 499.954 1 -9 10 -4 223.478 356.033 -2 -9 10 -4 223.478 356.033 1 -9 10 -5 1168.61 223.327 1 -9 10 -5 1395.05 425.589 -2 -9 10 -5 1395.05 425.589 1 -9 10 -6 123.969 222.225 1 9 -10 6 53.8136 274.544 -2 9 -10 6 53.8136 274.544 1 -9 10 -7 2149.60 234.304 1 9 -10 7 2659.33 358.117 -2 9 -10 7 2659.33 358.117 1 -9 10 -8 2745.42 241.927 1 9 -10 8 2977.37 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1912.67 286.940 1 10 3 -9 200.381 283.699 1 -10 -3 10 1034.78 361.350 -2 -10 -3 9 1034.78 361.350 1 10 3 -8 6796.90 323.397 1 -10 -3 9 7000.96 382.782 -2 -10 -3 8 7000.96 382.782 1 10 3 -8 10026.6 384.184 -2 10 3 -7 10026.6 384.184 1 10 3 -7 5195.84 479.315 -2 10 3 -6 5195.84 479.315 1 10 3 -6 15318.7 421.445 -2 10 3 -5 15318.7 421.445 1 10 3 -5 8072.44 379.747 -2 10 3 -4 8072.44 379.747 1 10 3 -4 6332.84 375.249 -2 10 3 -3 6332.84 375.249 1 10 3 -3 10065.5 360.080 -2 10 3 -2 10065.5 360.080 1 10 3 -1 4847.20 319.205 1 10 3 -2 9149.70 540.224 -2 10 3 -1 9149.70 540.224 1 10 3 0 10803.8 322.389 1 10 3 1 6141.35 299.885 1 10 3 2 2736.84 240.526 1 10 3 3 95.6719 224.048 1 10 3 4 840.747 234.030 1 10 3 5 2960.19 240.409 1 10 3 6 1297.20 219.550 1 10 3 7 72.0986 217.229 1 10 3 8 181.818 209.270 1 10 4 7 489.681 294.786 -2 10 3 8 489.681 294.786 1 10 4 8 6003.29 272.212 -2 10 3 9 6003.29 272.212 1 10 4 9 1383.23 239.067 -2 10 3 10 1383.23 239.067 1 10 4 10 341.564 193.402 -2 10 3 11 341.564 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327.506 1 10 4 0 1187.42 275.231 1 10 4 1 3959.56 263.673 1 10 4 2 288.039 236.338 1 10 4 3 425.488 221.889 1 10 4 4 2411.18 233.803 1 10 4 5 662.163 217.806 1 10 4 6 784.359 198.622 1 10 4 7 1082.56 203.304 1 10 4 8 2248.37 190.905 1 10 4 9 51.6148 172.378 1 10 4 10 466.802 147.053 1 10 4 11 555.407 136.603 1 10 5 10 575.214 186.339 -2 10 4 11 575.214 186.339 1 10 5 -22 92.2354 104.744 1 -10 -5 21 179.871 140.482 1 -10 -5 20 521.997 169.898 1 -10 -4 21 571.398 202.817 -2 -10 -5 20 571.398 202.817 1 -10 -5 19-53.4613 207.987 1 -10 -4 20 615.211 220.197 -2 -10 -5 19 615.211 220.197 1 -10 -5 18 1307.42 209.689 1 -10 -4 19 2205.21 275.053 -2 -10 -5 18 2205.21 275.053 1 -10 -5 17 207.343 221.518 1 -10 -4 18 1070.19 269.787 -2 -10 -5 17 1070.19 269.787 1 -10 -5 16 4403.30 250.831 1 -10 -5 15 512.527 234.544 1 10 5 -14 998.856 250.853 1 10 5 -13 380.497 258.425 1 10 5 -12 88.1833 262.853 1 10 5 -11 3986.55 259.958 1 -10 -5 12 4274.18 373.986 -2 -10 -5 11 4274.18 373.986 1 10 5 -10 3207.32 250.512 1 10 5 -11 4927.10 360.053 -2 10 5 -10 4927.10 360.053 1 10 5 -10 1617.36 341.162 -2 10 5 -9 1617.36 341.162 1 10 5 -9 1841.05 349.287 -2 10 5 -8 1841.05 349.287 1 10 5 -8 1008.76 382.711 -2 10 5 -7 1008.76 382.711 1 10 5 -7 3039.89 361.264 -2 10 5 -6 3039.89 361.264 1 10 5 -6 1369.99 308.553 -2 10 5 -5 1369.99 308.553 1 10 5 -5 2170.32 318.578 -2 10 5 -4 2170.32 318.578 1 10 5 -4 3573.70 331.334 -2 10 5 -3 3573.70 331.334 1 10 5 -3 5593.75 337.733 -2 10 5 -2 5593.75 337.733 1 10 5 -2 3610.12 326.658 -2 10 5 -1 3610.12 326.658 1 10 5 0 1162.54 259.155 1 10 5 1 217.483 247.866 1 10 5 2 79.7892 221.483 1 10 5 3 7789.59 257.740 1 10 5 4 846.066 212.032 1 10 5 5 356.484 195.534 1 10 5 6 3928.04 198.574 1 10 5 7 612.882 184.611 1 10 5 8 872.454 174.212 1 10 5 9 635.265 148.245 1 10 5 10 377.042 128.910 1 -10 -6 22 113.318 99.1471 1 10 6 -21 120.281 115.728 1 -10 -5 22 105.779 129.449 -2 -10 -6 21 105.779 129.449 1 -10 -5 21 344.759 165.721 -2 -10 -6 20 344.759 165.721 1 -10 -6 19 589.279 181.496 1 10 5 -20 640.557 194.535 -2 10 6 -19 640.557 194.535 1 -10 -6 18 755.256 179.207 1 10 5 -19 625.751 227.038 -2 10 6 -18 625.751 227.038 1 -10 -6 17 761.745 212.569 1 -10 -5 18 1111.32 243.226 -2 -10 -6 17 1111.32 243.226 1 -10 -6 16 369.279 217.250 1 -10 -6 15 2687.56 219.852 1 10 6 -14 90.4249 221.759 1 10 6 -13 1953.94 238.632 1 10 6 -12 522.599 239.137 1 10 6 -11 1240.12 236.056 1 -10 -6 12 1533.55 345.387 -2 -10 -6 11 1533.55 345.387 1 10 6 -11 9940.66 362.525 -2 10 6 -10 9940.66 362.525 1 10 6 -10 4343.90 317.641 -2 10 6 -9 4343.90 317.641 1 10 6 -9 9327.22 359.670 -2 10 6 -8 9327.22 359.670 1 10 6 -8 4414.35 356.023 -2 10 6 -7 4414.35 356.023 1 10 6 -7 175.486 251.009 -2 10 6 -6 175.486 251.009 1 10 6 -6 1060.23 298.334 -2 10 6 -5 1060.23 298.334 1 10 6 -5 1049.31 305.178 -2 10 6 -4 1049.31 305.178 1 10 6 -4 1572.14 306.795 -2 10 6 -3 1572.14 306.795 1 10 6 -3 655.368 313.903 -2 10 6 -2 655.368 313.903 1 10 6 -1 2687.58 253.199 1 10 6 0 1248.41 236.032 1 10 6 1 167.856 229.721 1 10 6 2 5167.00 219.226 1 10 6 3 52.8604 196.715 1 10 6 4 1446.81 189.774 1 10 6 5 71.7080 168.774 1 10 6 6 610.975 156.698 1 10 6 7 125.275 156.288 1 10 6 8 56.7534 135.107 1 10 6 9 886.360 115.085 1 10 6 -22 625.754 125.911 -2 10 7 -21 625.754 125.911 1 -10 -6 21 93.1655 136.209 -2 -10 -7 20 93.1655 136.209 1 -10 -6 20 231.023 170.579 -2 -10 -7 19 231.023 170.579 1 -10 -7 18 94.4217 168.845 1 -10 -6 19 100.574 172.411 -2 -10 -7 18 100.574 172.411 1 -10 -7 17 1422.05 184.508 1 -10 -7 16 11.5519 194.934 1 -10 -7 15 3337.16 201.166 1 -10 -7 14 1061.88 209.938 1 10 7 -13 4414.86 231.966 1 10 7 -12 849.365 226.308 1 10 7 -11 917.719 302.213 1 10 7 -12 1244.97 284.982 -2 10 7 -11 1244.97 284.982 1 10 7 -11 1332.04 274.714 -2 10 7 -10 1332.04 274.714 1 10 7 -10 2311.40 305.363 -2 10 7 -9 2311.40 305.363 1 10 7 -9 1033.47 304.041 -2 10 7 -8 1033.47 304.041 1 10 7 -8 128.357 301.635 -2 10 7 -7 128.357 301.635 1 10 7 -7 298.461 301.592 -2 10 7 -6 298.461 301.592 1 10 7 -6 2929.30 285.157 -2 10 7 -5 2929.30 285.157 1 10 7 -5 1165.87 355.085 -2 10 7 -4 1165.87 355.085 1 10 7 -4 1695.61 295.214 -2 10 7 -3 1695.61 295.214 1 10 7 -2 4935.11 228.152 1 10 7 -3 5673.04 356.118 -2 10 7 -2 5673.04 356.118 1 10 7 -1 187.682 214.273 1 10 7 0 288.284 210.821 1 10 7 1 152.715 194.091 1 10 7 2 483.377 182.224 1 10 7 3 206.441 171.289 1 10 7 4 474.522 160.993 1 10 7 5 818.307 150.467 1 10 7 6 17.8879 125.226 1 10 7 7 386.224 198.535 1 -10 -8 19 2354.85 130.451 1 -10 -8 18 968.390 127.557 1 -10 -8 17 26.1000 143.526 1 -10 -8 16 2772.19 183.744 1 -10 -8 15 300.369 163.333 1 -10 -8 14 1482.00 193.364 1 -10 -8 13 1748.44 204.285 1 -10 -8 12 1173.39 222.126 1 10 8 -13 1869.68 242.905 -2 10 8 -12 1869.68 242.905 1 10 8 -11 608.593 235.977 1 10 8 -12 1084.47 258.683 -2 10 8 -11 1084.47 258.683 1 10 8 -11 2370.25 251.839 -2 10 8 -10 2370.25 251.839 1 10 8 -10 1066.11 266.852 -2 10 8 -9 1066.11 266.852 1 10 8 -9 999.465 269.966 -2 10 8 -8 999.465 269.966 1 10 8 -8 2005.91 283.344 -2 10 8 -7 2005.91 283.344 1 10 8 -7 3378.11 284.038 -2 10 8 -6 3378.11 284.038 1 10 8 -6 1262.07 253.969 -2 10 8 -5 1262.07 253.969 1 10 8 -5 47.1902 240.852 -2 10 8 -4 47.1902 240.852 1 10 8 -3 841.805 188.858 1 10 8 -4 925.599 358.708 -2 10 8 -3 925.599 358.708 1 10 8 -2 5041.79 216.241 1 10 8 -3 5307.97 265.143 -2 10 8 -2 5307.97 265.143 1 10 8 -1 3933.66 208.482 1 10 8 0 255.612 178.049 1 10 8 1 3521.51 169.356 1 10 8 2 63.0655 148.223 1 10 8 3 1011.47 144.004 1 10 8 4 24.3344 121.771 1 10 8 5 1323.80 116.312 1 10 9 -18 875.027 109.471 1 -10 -9 17 41.6128 112.742 1 -10 -9 16 1542.53 129.698 1 -10 -9 15 1536.15 134.813 1 -10 -9 14 340.459 144.403 1 -10 -9 13 160.515 154.463 1 -10 -9 12 10.6598 166.323 1 -10 -9 11 187.566 174.665 1 10 9 -12 314.694 198.987 -2 10 9 -11 314.694 198.987 1 -10 -9 11 372.490 211.553 -2 -10 -9 10 372.490 211.553 1 -10 -9 10 834.116 209.086 -2 -10 -9 9 834.116 209.086 1 -10 -9 9 287.196 210.620 -2 -10 -9 8 287.196 210.620 1 -10 -9 8 253.088 210.196 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199.209 1 10 10 -4 105.513 138.576 1 10 10 -5 946.275 192.416 -2 10 10 -4 946.275 192.416 1 10 10 -3 1076.14 134.814 1 10 10 -2 154.616 121.919 1 10 10 -1 23.2024 108.657 1 10 10 0 381.659 114.849 1 10 11 -12 27.7242 88.6170 1 10 11 -11 17.9682 88.6364 1 10 11 -12 13.9804 124.528 -2 10 11 -11 13.9804 124.528 1 10 11 -10 980.408 88.1386 1 10 11 -11 1235.92 146.687 -2 10 11 -10 1235.92 146.687 1 10 11 -9 368.888 78.5153 1 10 11 -10 944.045 154.700 -2 10 11 -9 944.045 154.700 1 10 11 -9 377.932 158.788 -2 10 11 -8 377.932 158.788 1 10 11 -8 1773.24 135.676 -2 10 11 -7 1773.24 135.676 1 10 11 -6 194.523 97.6244 1 10 11 -7 1072.20 157.669 -2 10 11 -6 1072.20 157.669 1 10 11 -5 1733.39 106.366 1 10 11 -6 2078.03 149.931 -2 10 11 -5 2078.03 149.931 1 10 11 -4 3104.10 107.837 1 11 -18 -4 80.9815 116.883 1 11 -18 -3 11.4511 132.213 1 -11 18 2 168.059 160.600 -2 -11 18 3 168.059 160.600 1 11 -18 -2 19.3311 129.225 1 -11 18 1 21.9381 151.496 -2 -11 18 2 21.9381 151.496 1 11 -18 -1 120.195 131.799 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848.899 435.508 1 -11 12 6 1291.32 239.384 1 -11 12 5 1717.71 448.686 -2 -11 12 6 1717.71 448.686 1 -11 12 5 104.663 234.879 1 -11 12 4 1108.28 441.242 -2 -11 12 5 1108.28 441.242 1 -11 12 4 1156.70 241.825 1 -11 12 3 1847.57 415.581 -2 -11 12 4 1847.57 415.581 1 -11 12 3 345.971 252.473 1 11 -12 -2 545.385 370.914 -2 11 -12 -3 545.385 370.914 1 -11 12 2 543.571 271.711 1 11 -12 -1 767.279 298.980 1 -11 12 1 2062.03 371.452 -2 -11 12 1 2062.03 371.452 1 -11 12 0 3572.60 349.687 -2 -11 12 0 3572.60 349.687 1 -11 12 -1 2258.19 342.742 -2 -11 12 -1 2258.19 342.742 1 -11 12 -2 5933.10 355.373 -2 -11 12 -2 5933.10 355.373 1 -11 12 -3 315.656 229.838 1 -11 12 -3 357.942 317.413 -2 -11 12 -3 357.942 317.413 1 -11 12 -4 14.7444 226.815 1 11 -12 4 81.0330 318.944 -2 11 -12 4 81.0330 318.944 1 -11 12 -5 2358.26 235.827 1 11 -12 5 3038.57 338.298 -2 11 -12 5 3038.57 338.298 1 -11 12 -6-0.63656 217.669 1 11 -12 6 42.1316 292.851 -2 11 -12 6 42.1316 292.851 1 -11 12 -7 120.128 210.444 1 11 -12 7 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1 -11 10 8 4112.56 347.929 -2 -11 10 8 4112.56 347.929 1 -11 10 7 66.3167 342.838 -2 -11 10 7 66.3167 342.838 1 -11 10 6 4677.57 447.461 -2 -11 10 6 4677.57 447.461 1 11 -10 -5 660.055 264.251 1 -11 10 5 1362.36 390.555 -2 -11 10 5 1362.36 390.555 1 11 -10 -4 216.910 267.830 1 -11 10 4 398.916 377.045 -2 -11 10 4 398.916 377.045 1 -11 10 3 609.648 339.127 -2 -11 10 3 609.648 339.127 1 -11 10 2 2100.71 355.205 -2 -11 10 2 2100.71 355.205 1 -11 10 1 2676.78 348.460 -2 -11 10 1 2676.78 348.460 1 -11 10 0 3020.62 357.017 -2 -11 10 0 3020.62 357.017 1 -11 10 -1 5824.83 388.244 -2 -11 10 -1 5824.83 388.244 1 -11 10 -2 2111.17 336.313 -2 -11 10 -2 2111.17 336.313 1 -11 10 -3-141.320 331.419 -2 -11 10 -3-141.320 331.419 1 -11 10 -4 573.305 332.151 -2 -11 10 -4 573.305 332.151 1 -11 10 -5 822.715 329.835 -2 -11 10 -5 822.715 329.835 1 -11 10 -6 464.952 236.859 1 -11 10 -6 495.809 322.190 -2 -11 10 -6 495.809 322.190 1 -11 10 -7 172.329 227.552 1 -11 10 -7 8.94564 317.054 -2 -11 10 -7 8.94564 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336.966 1 -11 9 11 710.549 365.924 -2 -11 9 11 710.549 365.924 1 -11 9 10 5545.55 385.908 -2 -11 9 10 5545.55 385.908 1 -11 9 9 264.678 370.237 -2 -11 9 9 264.678 370.237 1 -11 9 8 1162.44 367.368 -2 -11 9 8 1162.44 367.368 1 -11 9 7 190.972 352.787 -2 -11 9 7 190.972 352.787 1 -11 9 6 2624.28 650.349 -2 -11 9 6 2624.28 650.349 1 11 -9 -5 1093.55 249.323 1 -11 9 5 3469.72 414.394 -2 -11 9 5 3469.72 414.394 1 -11 9 4 3110.69 420.768 -2 -11 9 4 3110.69 420.768 1 -11 9 3 633.594 382.008 -2 -11 9 3 633.594 382.008 1 -11 9 2 679.804 396.538 -2 -11 9 2 679.804 396.538 1 -11 9 1 838.530 397.365 -2 -11 9 1 838.530 397.365 1 -11 9 0 79.0154 349.780 -2 -11 9 0 79.0154 349.780 1 -11 9 -1-40.7943 331.357 -2 -11 9 -1-40.7943 331.357 1 -11 9 -2 664.846 339.788 -2 -11 9 -2 664.846 339.788 1 -11 9 -3 598.999 333.449 -2 -11 9 -3 598.999 333.449 1 -11 9 -4 2987.41 333.050 -2 -11 9 -4 2987.41 333.050 1 -11 9 -5 621.426 330.405 -2 -11 9 -5 621.426 330.405 1 -11 9 -6 225.107 328.737 -2 -11 9 -6 225.107 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8 13 6844.97 582.905 1 -11 8 12 3940.74 321.943 1 -11 8 12 5979.01 387.250 -2 -11 8 12 5979.01 387.250 1 -11 8 11 1094.65 379.250 -2 -11 8 11 1094.65 379.250 1 -11 8 10 38.2160 345.941 -2 -11 8 10 38.2160 345.941 1 -11 8 9 2403.98 371.457 -2 -11 8 9 2403.98 371.457 1 -11 8 8 3640.23 373.707 -2 -11 8 8 3640.23 373.707 1 -11 8 7 376.896 378.988 -2 -11 8 7 376.896 378.988 1 -11 8 6 1086.85 375.461 -2 -11 8 6 1086.85 375.461 1 -11 8 5 3384.61 410.387 -2 -11 8 5 3384.61 410.387 1 -11 8 4 2778.54 393.731 -2 -11 8 4 2778.54 393.731 1 -11 8 3 25.2911 325.333 -2 -11 8 3 25.2911 325.333 1 -11 8 2 262.595 365.545 -2 -11 8 2 262.595 365.545 1 -11 8 1 168.664 383.070 -2 -11 8 1 168.664 383.070 1 -11 8 0 1635.84 378.021 -2 -11 8 0 1635.84 378.021 1 -11 8 -1 303.585 387.809 -2 -11 8 -1 303.585 387.809 1 -11 8 -2 1461.70 356.365 -2 -11 8 -2 1461.70 356.365 1 -11 8 -3 3115.12 344.612 -2 -11 8 -3 3115.12 344.612 1 -11 8 -4 2282.43 337.874 -2 -11 8 -4 2282.43 337.874 1 -11 8 -5 5259.79 348.598 -2 -11 8 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301.421 1 -11 7 13 3024.65 369.891 -2 -11 7 13 3024.65 369.891 1 -11 7 12 1642.77 364.802 -2 -11 7 12 1642.77 364.802 1 -11 7 11 2319.83 367.698 -2 -11 7 11 2319.83 367.698 1 -11 7 10 4292.45 381.115 -2 -11 7 10 4292.45 381.115 1 -11 7 9 1622.75 397.346 -2 -11 7 9 1622.75 397.346 1 -11 7 8 666.134 360.360 -2 -11 7 8 666.134 360.360 1 -11 7 7 4265.29 374.614 -2 -11 7 7 4265.29 374.614 1 -11 7 6 1054.51 372.206 -2 -11 7 6 1054.51 372.206 1 -11 7 5 536.667 369.982 -2 -11 7 5 536.667 369.982 1 -11 7 4 1466.90 371.547 -2 -11 7 4 1466.90 371.547 1 -11 7 3 133.648 367.061 -2 -11 7 3 133.648 367.061 1 -11 7 2 1707.89 361.818 -2 -11 7 2 1707.89 361.818 1 -11 7 1 5451.46 401.931 -2 -11 7 1 5451.46 401.931 1 -11 7 0 16661.0 439.139 -2 -11 7 0 16661.0 439.139 1 -11 7 -1 101.605 368.938 -2 -11 7 -1 101.605 368.938 1 -11 7 -2 2008.52 381.454 -2 -11 7 -2 2008.52 381.454 1 -11 7 -3 8651.11 621.180 -2 -11 7 -3 8651.11 621.180 1 -11 7 -4 20.7911 301.476 -2 -11 7 -4 20.7911 301.476 1 -11 7 -5 2375.55 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6 -5 10714.8 389.997 -2 -11 6 -5 10714.8 389.997 1 -11 6 -6 90.0466 300.861 -2 -11 6 -6 90.0466 300.861 1 -11 6 -7 759.147 328.877 -2 -11 6 -7 759.147 328.877 1 -11 6 -8 770.014 314.010 -2 -11 6 -8 770.014 314.010 1 -11 6 -9 1063.50 300.685 -2 -11 6 -9 1063.50 300.685 1 -11 6 -10 108.669 182.904 1 11 -5 10 189.618 273.984 -2 11 -6 10 189.618 273.984 1 -11 6 -11 172.809 146.005 1 11 -5 11 133.481 277.883 -2 11 -6 11 133.481 277.883 1 -11 6 -12 473.845 130.516 1 11 -5 12 1766.27 260.376 -2 11 -6 12 1766.27 260.376 1 11 -5 13 1342.85 238.656 -2 11 -6 13 1342.85 238.656 1 11 -5 14 2063.35 200.586 -2 11 -6 14 2063.35 200.586 1 11 -5 15 116.731 149.600 -2 11 -6 15 116.731 149.600 1 -11 5 23 418.694 120.522 1 -11 5 22 40.0173 140.498 1 -11 5 21 1089.93 171.930 1 -11 5 20 65.0306 199.136 1 -11 5 19 1482.01 226.323 1 -11 5 18-12.5988 236.747 1 -11 5 17 2922.56 263.711 1 -11 5 16 892.832 247.851 1 -11 6 16 2196.67 372.664 -2 -11 5 16 2196.67 372.664 1 -11 5 15 802.651 260.596 1 -11 6 15 1438.70 375.253 -2 -11 5 15 1438.70 375.253 1 -11 5 14 4050.19 272.568 1 -11 5 14 5595.69 397.990 -2 -11 5 14 5595.69 397.990 1 -11 5 13 445.358 263.333 1 -11 5 13 757.210 374.682 -2 -11 5 13 757.210 374.682 1 -11 5 12 2840.30 268.640 1 -11 5 12 4378.11 387.530 -2 -11 5 12 4378.11 387.530 1 -11 5 11 1661.58 348.228 -2 -11 5 11 1661.58 348.228 1 -11 5 10-59.3874 411.384 1 -11 5 10 118.767 326.083 -2 -11 5 10 118.767 326.083 1 -11 5 9 532.925 360.771 -2 -11 5 9 532.925 360.771 1 -11 5 8 17.4687 330.664 -2 -11 5 8 17.4687 330.664 1 -11 5 7 2196.44 353.087 -2 -11 5 7 2196.44 353.087 1 -11 5 6 1005.45 381.511 -2 -11 5 6 1005.45 381.511 1 -11 5 5 2713.37 383.112 -2 -11 5 5 2713.37 383.112 1 -11 5 4 1891.27 369.406 -2 -11 5 4 1891.27 369.406 1 -11 5 3 6939.63 357.495 -2 -11 5 3 6939.63 357.495 1 -11 5 2 128.508 281.192 -2 -11 5 2 128.508 281.192 1 -11 5 1 295.141 300.047 -2 -11 5 1 295.141 300.047 1 -11 5 0 5024.10 376.157 -2 -11 5 0 5024.10 376.157 1 -11 5 -1 309.943 310.823 -2 -11 5 -1 309.943 310.823 1 -11 5 -2 2245.19 358.254 -2 -11 5 -2 2245.19 358.254 1 -11 5 -3 16291.8 882.532 -2 -11 5 -3 16291.8 882.532 1 -11 5 -4 437.772 322.902 -2 -11 5 -4 437.772 322.902 1 -11 5 -5 1741.09 332.418 -2 -11 5 -5 1741.09 332.418 1 -11 5 -6 1741.09 351.008 -2 -11 5 -6 1741.09 351.008 1 -11 5 -7 16857.8 377.204 -2 -11 5 -7 16857.8 377.204 1 -11 5 -8 8745.24 343.052 -2 -11 5 -8 8745.24 343.052 1 -11 5 -9 241.068 297.234 -2 -11 5 -9 241.068 297.234 1 -11 5 -10 64.4356 189.956 1 11 -5 11 98.8463 193.454 1 11 -5 12 2615.57 220.108 1 11 -5 13-22.6035 166.134 1 11 -5 14 671.624 150.181 1 11 -5 15 40.9262 114.771 1 -11 4 23 90.9094 123.712 1 -11 4 22 148.014 154.423 1 -11 5 22 173.575 210.871 -2 -11 4 22 173.575 210.871 1 -11 4 21 660.573 174.855 1 -11 5 21 1265.94 247.895 -2 -11 4 21 1265.94 247.895 1 -11 4 20 694.287 195.785 1 -11 5 20 930.346 280.442 -2 -11 4 20 930.346 280.442 1 -11 4 19 299.637 207.507 1 -11 5 19 1124.14 312.682 -2 -11 4 19 1124.14 312.682 1 -11 4 18 1387.02 232.192 1 -11 5 18 1368.77 341.865 -2 -11 4 18 1368.77 341.865 1 -11 4 17 1626.67 252.354 1 -11 5 17 3134.21 369.183 -2 -11 4 17 3134.21 369.183 1 -11 4 16 466.416 249.565 1 -11 5 16 1169.85 372.237 -2 -11 4 16 1169.85 372.237 1 -11 4 15-12.3558 264.535 1 -11 5 15 492.992 377.167 -2 -11 4 15 492.992 377.167 1 -11 4 14 1157.71 261.240 1 -11 4 14 1628.29 395.307 -2 -11 4 14 1628.29 395.307 1 -11 4 13 2913.36 273.401 1 -11 4 13 5035.08 360.644 -2 -11 4 13 5035.08 360.644 1 -11 4 12 464.808 276.454 1 -11 4 12 783.534 342.877 -2 -11 4 12 783.534 342.877 1 -11 4 11 2668.74 433.059 1 -11 4 11 4245.89 350.790 -2 -11 4 11 4245.89 350.790 1 -11 4 10 833.272 395.953 1 -11 4 10 1357.84 328.373 -2 -11 4 10 1357.84 328.373 1 -11 4 9 188.593 311.990 -2 -11 4 9 188.593 311.990 1 -11 4 8 45.4030 315.204 -2 -11 4 8 45.4030 315.204 1 -11 4 7 1833.91 349.059 -2 -11 4 7 1833.91 349.059 1 -11 4 6 81.1711 305.748 -2 -11 4 6 81.1711 305.748 1 -11 4 5 2459.29 380.280 -2 -11 4 5 2459.29 380.280 1 -11 4 4 5751.66 313.261 -2 -11 4 4 5751.66 313.261 1 -11 4 3 4323.38 350.202 -2 -11 4 3 4323.38 350.202 1 -11 4 2 4700.98 310.477 -2 -11 4 2 4700.98 310.477 1 -11 4 1 5300.48 408.857 -2 -11 4 1 5300.48 408.857 1 -11 4 0 20668.7 362.652 -2 -11 4 0 20668.7 362.652 1 -11 4 -1 1467.75 340.886 -2 -11 4 -1 1467.75 340.886 1 -11 4 -2 37096.3 446.928 1 -11 4 -2 50856.3 704.651 -2 -11 4 -2 50856.3 704.651 1 -11 4 -3 8471.15 546.518 -2 -11 4 -3 8471.15 546.518 1 -11 4 -4 5822.27 389.662 -2 -11 4 -4 5822.27 389.662 1 -11 4 -5 7520.28 343.866 -2 -11 4 -5 7520.28 343.866 1 11 -4 6 11834.6 324.337 1 -11 4 -6 15439.9 1051.14 -2 -11 4 -6 15439.9 1051.14 1 -11 4 -7 4001.24 325.864 -2 -11 4 -7 4001.24 325.864 1 11 -4 8 2289.41 272.197 1 -11 4 -8 2855.75 302.672 -2 -11 4 -8 2855.75 302.672 1 11 -4 9 461.525 204.525 1 11 -4 10 1324.33 220.047 1 11 -4 11 413.104 192.455 1 11 -4 12 1910.80 249.474 1 11 -4 13 474.855 182.545 1 11 -4 14 159.008 141.641 1 11 -4 15 1298.22 116.919 1 -11 3 23-91.2430 135.211 1 -11 4 23-26.7784 158.005 -2 -11 3 23-26.7784 158.005 1 -11 4 22 1026.61 206.449 -2 -11 3 22 1026.61 206.449 1 -11 4 21 451.223 241.944 -2 -11 3 21 451.223 241.944 1 -11 4 20 1010.80 276.603 -2 -11 3 20 1010.80 276.603 1 -11 4 19 361.798 298.144 -2 -11 3 19 361.798 298.144 1 -11 4 18 3517.44 329.211 -2 -11 3 18 3517.44 329.211 1 -11 3 17 904.489 257.266 1 -11 4 17 1752.05 353.395 -2 -11 3 17 1752.05 353.395 1 -11 3 16 160.710 259.183 1 -11 4 16 158.188 334.097 -2 -11 3 16 158.188 334.097 1 -11 3 15 250.460 273.160 1 -11 4 15 2.23278 355.024 -2 -11 3 15 2.23278 355.024 1 -11 3 14 1816.17 277.065 1 -11 3 14 2778.85 401.901 -2 -11 3 14 2778.85 401.901 1 -11 3 13 146.749 262.291 1 -11 3 13 1.36401 368.189 -2 -11 3 13 1.36401 368.189 1 -11 3 12 149.370 269.565 1 -11 3 12 214.607 331.059 -2 -11 3 12 214.607 331.059 1 -11 3 11 437.624 306.538 1 -11 3 11 532.451 341.940 -2 -11 3 11 532.451 341.940 1 -11 3 10 265.473 399.562 1 -11 3 10 84.7492 297.424 -2 -11 3 10 84.7492 297.424 1 -11 3 9 9657.33 377.994 -2 -11 3 9 9657.33 377.994 1 -11 3 8-53.4721 322.484 -2 -11 3 8-53.4721 322.484 1 -11 3 7 2527.22 374.745 -2 -11 3 7 2527.22 374.745 1 -11 3 6 121.636 317.386 -2 -11 3 6 121.636 317.386 1 -11 3 5 248.762 328.315 -2 -11 3 5 248.762 328.315 1 -11 3 4 5554.58 397.312 -2 -11 3 4 5554.58 397.312 1 -11 3 3 1626.01 339.100 -2 -11 3 3 1626.01 339.100 1 -11 3 2 1979.40 315.814 -2 -11 3 2 1979.40 315.814 1 -11 3 1 23616.2 667.387 -2 -11 3 1 23616.2 667.387 1 -11 3 0 18829.2 613.840 -2 -11 3 0 18829.2 613.840 1 -11 3 -1 15595.1 368.134 1 -11 3 -1 18881.3 531.557 -2 -11 3 -1 18881.3 531.557 1 -11 3 -2 1057.73 631.683 1 -11 3 -2 325.926 321.205 -2 -11 3 -2 325.926 321.205 1 -11 3 -3 25314.3 925.195 1 -11 3 -3 34719.1 415.301 -2 -11 3 -3 34719.1 415.301 1 -11 3 -4 135.243 319.389 -2 -11 3 -4 135.243 319.389 1 11 -3 5 22574.1 497.672 -2 11 -3 5 22574.1 497.672 1 11 -3 6 17276.3 337.576 1 -11 3 -6 23302.8 2769.81 -2 -11 3 -6 23302.8 2769.81 1 11 -3 7-139.211 251.927 1 -11 3 -7 204.390 278.131 -2 -11 3 -7 204.390 278.131 1 11 -3 8 279.016 239.273 1 11 -3 9 3722.77 244.332 1 11 -3 10 858.404 209.657 1 11 -3 11 78.1864 192.071 1 11 -3 12 390.334 193.290 1 11 -3 13 243.371 178.160 1 11 -3 14 243.286 131.379 1 -11 3 23 213.633 170.682 -2 -11 2 23 213.633 170.682 1 -11 3 22 896.713 215.577 -2 -11 2 22 896.713 215.577 1 -11 3 21 341.638 247.595 -2 -11 2 21 341.638 247.595 1 -11 3 20 533.205 284.770 -2 -11 2 20 533.205 284.770 1 -11 3 19 812.571 311.254 -2 -11 2 19 812.571 311.254 1 -11 3 18 2045.23 329.206 -2 -11 2 18 2045.23 329.206 1 -11 3 17 2365.42 334.153 -2 -11 2 17 2365.42 334.153 1 -11 2 16 510.144 274.338 1 -11 3 16 600.495 354.878 -2 -11 2 16 600.495 354.878 1 -11 2 15 317.132 274.965 1 -11 3 15 126.136 387.123 -2 -11 2 15 126.136 387.123 1 -11 2 14 3325.03 281.316 1 -11 2 14 5213.22 376.466 -2 -11 2 14 5213.22 376.466 1 -11 2 13 4535.66 291.887 1 -11 2 13 7302.70 503.897 -2 -11 2 13 7302.70 503.897 1 -11 2 12 2936.74 266.865 1 -11 2 12 4798.56 368.564 -2 -11 2 12 4798.56 368.564 1 -11 2 11 397.077 290.635 1 -11 2 11 424.893 344.632 -2 -11 2 11 424.893 344.632 1 -11 2 10 3762.54 376.292 1 -11 2 10 6395.86 360.077 -2 -11 2 10 6395.86 360.077 1 -11 2 9 840.206 383.153 1 -11 2 9 1544.57 308.659 -2 -11 2 9 1544.57 308.659 1 -11 2 8 360.901 337.590 -2 -11 2 8 360.901 337.590 1 -11 2 7 758.451 364.201 -2 -11 2 7 758.451 364.201 1 -11 2 6 56.9260 331.201 -2 -11 2 6 56.9260 331.201 1 -11 2 5 545.968 358.070 -2 -11 2 5 545.968 358.070 1 -11 2 4 1559.41 322.230 -2 -11 2 4 1559.41 322.230 1 -11 2 3 621.183 329.148 -2 -11 2 3 621.183 329.148 1 -11 2 2 428.177 251.522 1 -11 2 2 1036.94 314.920 -2 -11 2 2 1036.94 314.920 1 -11 2 1 10926.0 321.044 1 -11 2 1 14428.1 347.642 -2 -11 2 1 14428.1 347.642 1 -11 2 0 37783.0 887.636 -2 -11 2 0 37783.0 887.636 1 11 -2 1 11697.6 264.417 1 -11 2 -1 16117.5 536.606 -2 -11 2 -1 16117.5 536.606 1 11 -2 2 173.873 215.854 1 -11 2 -2 424.645 329.759 -2 -11 2 -2 424.645 329.759 1 11 -2 3 1611.56 272.998 1 -11 2 -3 2232.79 310.923 -2 -11 2 -3 2232.79 310.923 1 11 -2 4 5519.44 290.999 1 -11 2 -4 7367.82 866.638 -2 -11 2 -4 7367.82 866.638 1 11 -2 5 203.689 257.407 1 -11 2 -5 200.809 280.931 -2 -11 2 -5 200.809 280.931 1 11 -2 6 3905.50 268.329 1 11 -2 7 1246.68 261.238 1 11 -2 8 170.053 228.066 1 11 -2 9 981.264 223.496 1 11 -2 10 40.9824 202.666 1 11 -2 11 72.4182 181.898 1 11 -2 12 120.259 178.004 1 11 -2 13 107.766 150.292 1 11 -2 14 168.758 117.653 1 -11 2 23 1115.85 178.681 -2 -11 1 23 1115.85 178.681 1 -11 2 22 319.337 212.490 -2 -11 1 22 319.337 212.490 1 -11 2 21 433.910 246.671 -2 -11 1 21 433.910 246.671 1 -11 2 20 187.953 273.261 -2 -11 1 20 187.953 273.261 1 -11 2 19 538.610 302.352 -2 -11 1 19 538.610 302.352 1 -11 2 18 416.863 322.437 -2 -11 1 18 416.863 322.437 1 -11 1 17 3614.93 284.430 1 -11 2 17 4193.32 367.721 -2 -11 1 17 4193.32 367.721 1 -11 1 16 407.195 276.318 1 -11 1 15 362.895 276.002 1 -11 1 15 666.716 370.604 -2 -11 1 15 666.716 370.604 1 -11 1 14 121.391 264.031 1 -11 1 14 12.0602 377.686 -2 -11 1 14 12.0602 377.686 1 -11 1 13 209.691 240.213 1 -11 1 13 250.514 364.044 -2 -11 1 13 250.514 364.044 1 -11 1 12 1864.15 253.560 1 -11 1 12 2688.14 372.969 -2 -11 1 12 2688.14 372.969 1 -11 1 11 5776.23 256.171 1 -11 1 11 10056.3 376.937 -2 -11 1 11 10056.3 376.937 1 -11 1 10 650.581 250.234 1 -11 1 10 1191.58 340.117 -2 -11 1 10 1191.58 340.117 1 -11 1 9 591.622 264.864 1 -11 1 9 1411.73 418.789 -2 -11 1 9 1411.73 418.789 1 -11 1 8 161.043 338.141 -2 -11 1 8 161.043 338.141 1 -11 1 7 1865.47 330.654 -2 -11 1 7 1865.47 330.654 1 -11 1 6 134.639 221.429 1 -11 1 6 317.768 387.565 -2 -11 1 6 317.768 387.565 1 -11 1 5 571.937 227.074 1 -11 1 5 566.567 294.047 -2 -11 1 5 566.567 294.047 1 -11 1 4 1049.67 247.780 1 -11 1 4 932.033 305.857 -2 -11 1 4 932.033 305.857 1 -11 1 3 172.925 303.216 -2 -11 1 3 172.925 303.216 1 -11 1 2 2775.33 334.065 -2 -11 1 2 2775.33 334.065 1 -11 1 1 12664.5 370.156 -2 -11 1 1 12664.5 370.156 1 -11 1 0 37004.0 447.093 -2 -11 1 0 37004.0 447.093 1 -11 1 -1 419.804 252.401 1 11 -1 2 14124.5 334.664 1 11 -1 3 12513.5 292.823 1 11 -1 4 399.857 230.370 1 11 -1 5 581.678 239.062 1 11 -1 6 393.680 239.524 1 11 -1 7 1150.38 240.273 1 11 -1 8 169.877 220.069 1 11 -1 9 194.186 210.224 1 11 0 8 622.783 281.950 -2 11 -1 9 622.783 281.950 1 11 -1 10 109.365 178.552 1 11 0 9 53.0038 277.260 -2 11 -1 10 53.0038 277.260 1 11 -1 11 437.219 168.736 1 11 -1 12 173.590 161.459 1 11 -1 13 586.471 138.070 1 -11 1 23 1612.93 174.779 -2 -11 0 23 1612.93 174.779 1 -11 1 22 9.43242 200.440 -2 -11 0 22 9.43242 200.440 1 -11 1 21 537.689 239.667 -2 -11 0 21 537.689 239.667 1 -11 1 20 66.5245 261.310 -2 -11 0 20 66.5245 261.310 1 -11 1 19 384.278 299.188 -2 -11 0 19 384.278 299.188 1 -11 0 18 59.8035 255.816 1 -11 0 17 2546.79 256.253 1 -11 1 17 4753.99 385.578 -2 -11 0 17 4753.99 385.578 1 -11 0 16 2086.83 280.717 1 -11 0 15 333.573 272.890 1 -11 0 15 83.4484 324.525 -2 -11 0 15 83.4484 324.525 1 -11 0 14 94.2327 253.180 1 -11 0 14 62.1184 368.625 -2 -11 0 14 62.1184 368.625 1 -11 0 13 166.710 255.509 1 -11 0 13 116.689 364.886 -2 -11 0 13 116.689 364.886 1 -11 0 12 3472.52 1037.07 -2 -11 0 12 3472.52 1037.07 1 -11 0 11 1437.49 633.403 -2 -11 0 11 1437.49 633.403 1 -11 0 10 178.843 313.931 -2 -11 0 10 178.843 313.931 1 -11 0 9 2775.37 351.150 -2 -11 0 9 2775.37 351.150 1 -11 0 8 3636.95 337.609 -2 -11 0 8 3636.95 337.609 1 -11 0 7 183.428 350.166 -2 -11 0 7 183.428 350.166 1 -11 0 6 1813.08 254.268 1 -11 0 6 1897.70 423.890 -2 -11 0 6 1897.70 423.890 1 -11 0 5 327.648 249.003 1 11 0 -4 2639.51 257.051 1 11 0 -5 2216.26 561.092 -2 11 0 -4 2216.26 561.092 1 11 0 -3 3457.69 281.100 1 -11 0 4 5070.88 1004.71 -2 -11 0 3 5070.88 1004.71 1 -11 0 2 695.002 257.160 1 11 0 -3 1553.61 547.843 -2 11 0 -2 1553.61 547.843 1 11 0 -1 21779.7 318.103 1 11 0 0 952.166 252.608 1 -11 0 -1 1219.14 248.469 1 11 0 2 8295.47 294.306 1 11 0 3 8326.90 287.743 1 11 0 4 9189.83 265.703 1 11 0 5 740.844 228.129 1 11 0 6 6505.34 261.502 1 11 0 7 1794.37 234.789 1 11 0 8 744.995 223.503 1 11 1 8 446.879 269.726 -2 11 0 9 446.879 269.726 1 11 1 9 417.129 245.036 -2 11 0 10 417.129 245.036 1 11 0 11 636.820 155.025 1 11 1 10 1140.38 236.435 -2 11 0 11 1140.38 236.435 1 11 1 11 135.623 203.657 -2 11 0 12 135.623 203.657 1 11 0 13 358.318 118.294 1 -11 -1 23 1253.72 130.585 1 -11 0 23 2413.99 224.392 -2 -11 -1 23 2413.99 224.392 1 -11 -1 22 103.947 166.494 1 -11 0 22 26.3339 191.984 -2 -11 -1 22 26.3339 191.984 1 -11 -1 21 168.262 196.823 1 -11 0 21 32.1456 228.409 -2 -11 -1 21 32.1456 228.409 1 -11 -1 20 613.232 215.030 1 -11 -1 19 945.511 220.072 1 -11 -1 18 3923.68 252.946 1 -11 -1 17 1923.49 255.755 1 -11 -1 16 86.5804 264.552 1 -11 -1 15 2142.66 274.004 1 11 1 -14 1339.30 276.015 1 -11 -1 14 1538.31 377.633 -2 -11 -1 14 1538.31 377.633 1 11 1 -13 70.7768 267.069 1 -11 -1 13 384.949 368.539 -2 -11 -1 13 384.949 368.539 1 -11 -1 12 2348.05 282.223 1 11 1 -12 2964.32 304.758 -2 11 1 -12 2964.32 304.758 1 -11 -1 11 161.876 282.716 1 -11 -1 10 560.019 285.568 1 -11 -1 9 649.167 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181.926 153.761 1 -11 -2 21 217.887 174.365 1 -11 -2 20 98.1084 185.247 1 -11 -2 19 1708.37 214.264 1 -11 -2 18 120.841 224.019 1 -11 -2 17 1677.24 258.390 1 -11 -2 16 1471.67 288.292 1 -11 -2 15 118.538 280.265 1 -11 -2 14 393.352 276.927 1 -11 -2 13 68.1376 274.239 1 -11 -2 12 1112.60 274.978 1 -11 -2 11 109.716 282.212 1 -11 -2 10 173.903 289.741 1 -11 -2 9 687.291 292.400 1 11 2 -8 6677.57 351.635 1 -11 -2 9 6659.26 339.503 -2 -11 -2 8 6659.26 339.503 1 11 2 -8 15642.6 403.796 -2 11 2 -7 15642.6 403.796 1 11 2 -7 3123.42 2202.72 -2 11 2 -6 3123.42 2202.72 1 11 2 -6 16078.7 397.366 -2 11 2 -5 16078.7 397.366 1 11 2 -5 8176.77 328.840 -2 11 2 -4 8176.77 328.840 1 11 2 -4 8357.21 363.955 -2 11 2 -3 8357.21 363.955 1 11 2 -2 548.735 310.255 1 -11 -2 3 4089.67 342.342 -2 -11 -2 2 4089.67 342.342 1 -11 -2 1 266.514 251.340 1 11 2 0 339.067 276.444 1 11 2 1 4334.48 291.762 1 11 2 2 3203.91 254.733 1 11 2 3 2339.18 238.993 1 11 2 4-25.9307 210.526 1 11 2 5 2455.96 219.177 1 11 2 6 36.1947 193.174 1 11 2 7 52.3405 194.687 1 11 3 7 72.0407 229.239 -2 11 2 8 72.0407 229.239 1 11 3 8 12.0028 222.175 -2 11 2 9 12.0028 222.175 1 11 3 9 338.611 193.196 -2 11 2 10 338.611 193.196 1 11 3 10 1166.31 154.388 -2 11 2 11 1166.31 154.388 1 -11 -3 22 1.32030 133.301 1 -11 -3 21 34.3023 154.049 1 -11 -3 20 1.61147 181.315 1 -11 -3 19 701.354 207.476 1 -11 -3 18 1690.43 234.277 1 -11 -3 17 540.957 248.729 1 -11 -3 16 137.663 265.483 1 11 3 -15 654.804 259.682 1 -11 -3 14 219.923 266.243 1 -11 -3 13 1142.00 276.274 1 -11 -3 12 1003.41 277.734 1 11 3 -11 3581.45 295.419 1 11 3 -10 596.858 290.672 1 -11 -3 11 1833.28 333.753 -2 -11 -3 10 1833.28 333.753 1 11 3 -9 1898.74 318.874 1 11 3 -10 2320.38 355.105 -2 11 3 -9 2320.38 355.105 1 11 3 -9 741.573 349.796 -2 11 3 -8 741.573 349.796 1 11 3 -8 5862.13 462.009 -2 11 3 -7 5862.13 462.009 1 11 3 -7 7746.58 401.123 -2 11 3 -6 7746.58 401.123 1 11 3 -6 6186.59 411.984 -2 11 3 -5 6186.59 411.984 1 11 3 -5 6896.45 349.594 -2 11 3 -4 6896.45 349.594 1 11 3 -4 2167.10 334.444 -2 11 3 -3 2167.10 334.444 1 11 3 -3 3410.83 326.233 -2 11 3 -2 3410.83 326.233 1 11 3 -1 2376.65 308.014 1 11 3 0 2537.19 276.147 1 11 3 1 170.814 253.496 1 11 3 2 496.206 259.342 1 11 3 3 4625.70 229.635 1 11 3 4 1856.11 210.608 1 11 3 5 72.0236 186.876 1 11 3 6 1248.10 184.273 1 11 3 7 53.8437 175.949 1 11 3 8 198.367 160.371 1 11 3 9 40.3862 145.604 1 11 4 8 109.130 197.777 -2 11 3 9 109.130 197.777 1 11 4 9 2722.70 165.429 -2 11 3 10 2722.70 165.429 1 -11 -4 22 120.090 112.189 1 -11 -4 21 50.1925 136.999 1 -11 -4 20 344.945 165.785 1 -11 -4 19 344.452 213.850 1 -11 -3 20 356.110 229.585 -2 -11 -4 19 356.110 229.585 1 -11 -4 18 398.170 202.936 1 -11 -3 19 693.841 263.514 -2 -11 -4 18 693.841 263.514 1 -11 -4 17 65.4200 228.265 1 -11 -4 16 378.442 241.486 1 11 4 -15 767.809 238.499 1 11 4 -14 1386.70 258.648 1 11 4 -13 2771.16 268.974 1 11 4 -12 6078.62 293.473 1 11 4 -11 249.914 257.719 1 -11 -4 12 2837.18 353.937 -2 -11 -4 11 2837.18 353.937 1 11 4 -10-73.5526 268.026 1 11 4 -11 248.952 335.686 -2 11 4 -10 248.952 335.686 1 11 4 -10 3472.44 336.002 -2 11 4 -9 3472.44 336.002 1 11 4 -9 2000.70 395.460 -2 11 4 -8 2000.70 395.460 1 11 4 -8 502.564 359.535 -2 11 4 -7 502.564 359.535 1 11 4 -7 3299.88 379.339 -2 11 4 -6 3299.88 379.339 1 11 4 -6 1091.45 305.302 -2 11 4 -5 1091.45 305.302 1 11 4 -5 10845.0 363.631 -2 11 4 -4 10845.0 363.631 1 11 4 -4 5549.30 346.874 -2 11 4 -3 5549.30 346.874 1 11 4 -3 917.308 317.323 -2 11 4 -2 917.308 317.323 1 11 4 -1 239.993 259.339 1 11 4 -2 181.446 322.123 -2 11 4 -1 181.446 322.123 1 11 4 0 1118.84 256.422 1 11 4 1 505.480 232.653 1 11 4 2 364.564 236.621 1 11 4 3 1908.71 204.034 1 11 4 4 174.012 187.414 1 11 4 5 306.289 174.185 1 11 4 6 333.209 155.498 1 11 4 7 21.9089 153.602 1 11 4 8 277.423 142.309 1 11 4 9 1234.10 120.581 1 -11 -5 21 242.302 109.405 1 -11 -4 22 408.769 128.427 -2 -11 -5 21 408.769 128.427 1 -11 -5 20 305.135 136.578 1 11 4 -21 264.925 163.487 -2 11 5 -20 264.925 163.487 1 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249.624 -2 11 7 -4 2315.27 249.624 1 11 7 -3 306.290 174.776 1 11 7 -4 1153.67 258.991 -2 11 7 -3 1153.67 258.991 1 11 7 -2 189.651 189.058 1 11 7 -1 49.2747 179.417 1 11 7 0 880.678 163.721 1 11 7 1 830.675 164.674 1 11 7 2 16.2169 152.620 1 11 7 3 725.150 166.355 1 11 7 4 775.376 126.270 1 11 7 5 57.1193 117.221 1 -11 -8 17 505.196 127.260 1 -11 -8 16 3183.24 138.115 1 -11 -8 15 952.587 133.406 1 -11 -8 14 231.349 145.041 1 -11 -8 13 1616.11 161.229 1 -11 -8 12 19.6711 170.013 1 11 8 -13 809.692 197.465 -2 11 8 -12 809.692 197.465 1 -11 -8 12 430.041 205.745 -2 -11 -8 11 430.041 205.745 1 -11 -8 11 351.081 199.016 -2 -11 -8 10 351.081 199.016 1 11 8 -10 2023.62 216.846 -2 11 8 -9 2023.62 216.846 1 11 8 -9 2268.23 223.473 -2 11 8 -8 2268.23 223.473 1 11 8 -8 639.559 227.579 -2 11 8 -7 639.559 227.579 1 11 8 -7 258.296 228.867 -2 11 8 -6 258.296 228.867 1 11 8 -6 131.785 229.691 -2 11 8 -5 131.785 229.691 1 11 8 -5 1852.53 232.254 -2 11 8 -4 1852.53 232.254 1 11 8 -3 1715.68 162.110 1 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155.136 102.726 1 -12 14 14 19.6523 120.937 1 -12 14 13 168.992 149.356 1 -12 14 12 286.819 164.400 1 -12 14 11 184.881 180.927 1 -12 14 10 285.381 170.135 1 -12 14 9 151.602 191.740 1 -12 14 8 184.654 200.291 1 12 -14 -7 1525.46 798.849 1 -12 14 6 1949.32 368.709 -2 -12 14 7 1949.32 368.709 1 12 -14 -6 164.442 223.242 1 -12 14 5 532.650 347.774 -2 -12 14 6 532.650 347.774 1 -12 14 5 36.0737 197.361 1 -12 14 4 54.5413 372.008 -2 -12 14 5 54.5413 372.008 1 -12 14 4 815.396 199.343 1 12 -14 -3 1173.02 371.645 -2 12 -14 -4 1173.02 371.645 1 -12 14 3-80.2468 205.114 1 12 -14 -2 290.718 400.350 -2 12 -14 -3 290.718 400.350 1 -12 14 1 899.672 297.437 -2 -12 14 2 899.672 297.437 1 -12 14 0 634.964 300.032 -2 -12 14 1 634.964 300.032 1 -12 14 0 104.365 217.717 1 -12 14 -1 39.2675 284.330 -2 -12 14 0 39.2675 284.330 1 -12 14 -1 134.941 202.955 1 -12 14 -2 191.327 262.209 -2 -12 14 -1 191.327 262.209 1 -12 14 -2 174.654 184.357 1 -12 14 -3 1039.01 267.380 -2 -12 14 -2 1039.01 267.380 1 12 -14 3 940.133 214.736 1 -12 14 -4 2134.82 266.433 -2 -12 14 -3 2134.82 266.433 1 -12 14 -4 373.149 193.662 1 -12 14 -5 609.690 183.248 1 -12 14 -6 745.032 180.147 1 -12 14 -7 326.186 180.646 1 -12 14 -8 10.9496 136.498 1 12 -14 8-13.5420 181.136 -2 12 -14 8-13.5420 181.136 1 -12 14 -9 630.568 134.888 1 12 -14 9 638.410 166.208 -2 12 -14 9 638.410 166.208 1 -12 14 -10 89.2624 103.453 1 12 -14 10 43.5822 112.597 -2 12 -14 10 43.5822 112.597 1 -12 13 16-16.2407 139.469 1 -12 13 15 124.949 163.238 1 -12 13 14 35.2821 162.640 1 -12 13 13-22.4410 162.538 1 -12 13 12 491.585 183.489 1 -12 13 11-34.5335 190.772 1 -12 13 10 350.430 202.139 1 -12 13 9 489.288 221.210 1 12 -13 -8 1715.60 229.206 1 -12 13 7 254.193 229.745 1 -12 13 6 1106.85 391.196 -2 -12 13 7 1106.85 391.196 1 12 -13 -6 1836.82 265.712 1 -12 13 5 3048.49 418.412 -2 -12 13 6 3048.49 418.412 1 -12 13 5 906.880 329.931 1 -12 13 4 2100.32 360.123 -2 -12 13 5 2100.32 360.123 1 -12 13 4 670.912 232.489 1 12 -13 -3 1132.67 554.743 -2 12 -13 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186.484 1 -12 11 14 637.068 209.778 1 -12 11 13 470.119 222.535 1 -12 11 12 656.106 235.607 1 -12 11 11 1940.59 248.546 1 -12 11 10 647.631 251.936 1 -12 11 9 4284.48 431.539 -2 -12 11 9 4284.48 431.539 1 -12 11 8 262.905 305.358 -2 -12 11 8 262.905 305.358 1 12 -11 -7 1702.14 247.870 1 -12 11 7 5129.62 361.971 -2 -12 11 7 5129.62 361.971 1 12 -11 -6 150.257 242.371 1 -12 11 6 151.894 296.454 -2 -12 11 6 151.894 296.454 1 12 -11 -5 1430.93 260.447 1 -12 11 5 5350.12 785.091 -2 -12 11 5 5350.12 785.091 1 12 -11 -4 163.748 255.368 1 -12 11 4 488.428 379.429 -2 -12 11 4 488.428 379.429 1 12 -11 -3 469.546 251.799 1 -12 11 3 1546.92 351.448 -2 -12 11 3 1546.92 351.448 1 -12 11 2 1995.07 346.689 -2 -12 11 2 1995.07 346.689 1 -12 11 1 2319.35 347.289 -2 -12 11 1 2319.35 347.289 1 -12 11 0 415.441 336.085 -2 -12 11 0 415.441 336.085 1 -12 11 -1 689.918 331.539 -2 -12 11 -1 689.918 331.539 1 -12 11 -2 1690.24 334.122 -2 -12 11 -2 1690.24 334.122 1 -12 11 -3 255.258 318.401 -2 -12 11 -3 255.258 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355.305 1 -12 9 12 1308.97 359.539 -2 -12 9 12 1308.97 359.539 1 -12 9 11 1378.50 362.804 -2 -12 9 11 1378.50 362.804 1 -12 9 10 683.888 365.302 -2 -12 9 10 683.888 365.302 1 -12 9 9-34.9434 362.263 -2 -12 9 9-34.9434 362.263 1 -12 9 8 208.063 356.717 -2 -12 9 8 208.063 356.717 1 -12 9 7 1061.63 376.422 -2 -12 9 7 1061.63 376.422 1 -12 9 6 4778.98 340.561 -2 -12 9 6 4778.98 340.561 1 12 -9 -5 361.292 221.915 1 -12 9 5 1432.38 334.598 -2 -12 9 5 1432.38 334.598 1 -12 9 4 6069.65 391.389 -2 -12 9 4 6069.65 391.389 1 -12 9 3 2853.75 415.513 -2 -12 9 3 2853.75 415.513 1 -12 9 2 1868.06 344.880 -2 -12 9 2 1868.06 344.880 1 -12 9 1 1111.17 343.347 -2 -12 9 1 1111.17 343.347 1 -12 9 0 945.210 336.989 -2 -12 9 0 945.210 336.989 1 -12 9 -1 1390.39 341.728 -2 -12 9 -1 1390.39 341.728 1 -12 9 -2 1253.69 340.391 -2 -12 9 -2 1253.69 340.391 1 -12 9 -3 1155.29 323.234 -2 -12 9 -3 1155.29 323.234 1 -12 9 -4 2758.32 341.786 -2 -12 9 -4 2758.32 341.786 1 -12 9 -5 38.4680 296.673 -2 -12 9 -5 38.4680 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1 -12 7 7 1875.79 317.594 -2 -12 7 7 1875.79 317.594 1 -12 7 6 50.6266 280.031 -2 -12 7 6 50.6266 280.031 1 -12 7 5 2498.57 332.742 -2 -12 7 5 2498.57 332.742 1 -12 7 4 357.574 332.569 -2 -12 7 4 357.574 332.569 1 -12 7 3 6297.60 369.686 -2 -12 7 3 6297.60 369.686 1 -12 7 2 1280.56 322.066 -2 -12 7 2 1280.56 322.066 1 -12 7 1 1916.61 328.353 -2 -12 7 1 1916.61 328.353 1 -12 7 0 5001.83 385.560 -2 -12 7 0 5001.83 385.560 1 -12 7 -1 1954.01 338.907 -2 -12 7 -1 1954.01 338.907 1 -12 7 -2 1427.12 337.763 -2 -12 7 -2 1427.12 337.763 1 -12 7 -3 169.911 306.571 -2 -12 7 -3 169.911 306.571 1 -12 7 -4 4984.08 249.408 1 -12 7 -4 6039.97 347.374 -2 -12 7 -4 6039.97 347.374 1 -12 7 -5 3732.99 371.168 -2 -12 7 -5 3732.99 371.168 1 -12 7 -6 257.246 295.985 -2 -12 7 -6 257.246 295.985 1 -12 7 -7 107.886 302.998 -2 -12 7 -7 107.886 302.998 1 -12 7 -8 20.8304 288.380 -2 -12 7 -8 20.8304 288.380 1 -12 7 -9 177.468 264.421 -2 -12 7 -9 177.468 264.421 1 -12 7 -10 107.139 164.682 1 12 -6 10 81.1475 233.655 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372.010 1 -12 6 6 120.204 256.733 -2 -12 6 6 120.204 256.733 1 -12 6 5 3933.35 338.183 -2 -12 6 5 3933.35 338.183 1 -12 6 4 626.539 322.941 -2 -12 6 4 626.539 322.941 1 -12 6 3 7278.55 346.906 -2 -12 6 3 7278.55 346.906 1 -12 6 2 314.031 306.395 -2 -12 6 2 314.031 306.395 1 -12 6 1 38.6563 313.420 -2 -12 6 1 38.6563 313.420 1 -12 6 0 6345.41 342.250 -2 -12 6 0 6345.41 342.250 1 -12 6 -1 7753.97 352.328 -2 -12 6 -1 7753.97 352.328 1 -12 6 -2 94.3260 272.906 -2 -12 6 -2 94.3260 272.906 1 -12 6 -3 684.812 231.247 1 -12 6 -3 729.984 316.549 -2 -12 6 -3 729.984 316.549 1 -12 6 -4 1056.90 320.111 -2 -12 6 -4 1056.90 320.111 1 -12 6 -5 5105.37 386.167 -2 -12 6 -5 5105.37 386.167 1 -12 6 -6 603.356 366.978 -2 -12 6 -6 603.356 366.978 1 -12 6 -7 4119.65 323.813 -2 -12 6 -7 4119.65 323.813 1 -12 6 -8 3864.01 298.457 -2 -12 6 -8 3864.01 298.457 1 -12 6 -9-59.6253 190.488 1 -12 6 -10 93.0693 166.312 1 -12 6 -11 365.159 127.199 1 12 -5 11 519.644 232.899 -2 12 -6 11 519.644 232.899 1 12 -5 12 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1258.57 270.209 1 -12 3 13 2051.41 353.218 -2 -12 3 13 2051.41 353.218 1 -12 3 12 314.718 271.952 1 -12 3 12 536.060 340.129 -2 -12 3 12 536.060 340.129 1 -12 3 11 203.873 238.452 1 -12 3 11 450.766 346.361 -2 -12 3 11 450.766 346.361 1 -12 3 10 14985.8 388.133 -2 -12 3 10 14985.8 388.133 1 -12 3 9 309.606 329.794 -2 -12 3 9 309.606 329.794 1 -12 3 8 2735.79 320.103 -2 -12 3 8 2735.79 320.103 1 -12 3 7 727.445 327.209 -2 -12 3 7 727.445 327.209 1 -12 3 6 634.157 307.785 -2 -12 3 6 634.157 307.785 1 -12 3 5 618.484 334.237 -2 -12 3 5 618.484 334.237 1 -12 3 4 1105.86 336.961 -2 -12 3 4 1105.86 336.961 1 -12 3 3 2128.38 333.623 -2 -12 3 3 2128.38 333.623 1 -12 3 2 298.381 259.379 1 -12 3 2 187.074 293.458 -2 -12 3 2 187.074 293.458 1 -12 3 1 98.6309 264.712 1 -12 3 1 246.092 310.880 -2 -12 3 1 246.092 310.880 1 -12 3 0 15350.3 323.484 -2 -12 3 0 15350.3 323.484 1 -12 3 -1 5666.67 330.886 -2 -12 3 -1 5666.67 330.886 1 12 -3 2 457.249 224.380 1 -12 3 -2 676.482 332.461 -2 -12 3 -2 676.482 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634.841 269.158 1 -12 2 15 758.408 432.148 -2 -12 2 15 758.408 432.148 1 -12 2 14 3081.09 274.648 1 -12 2 14 4540.66 372.075 -2 -12 2 14 4540.66 372.075 1 -12 2 13 566.476 261.172 1 -12 2 13 821.371 352.089 -2 -12 2 13 821.371 352.089 1 -12 2 12 828.413 254.133 1 -12 2 12 1321.72 355.451 -2 -12 2 12 1321.72 355.451 1 -12 2 11 1311.47 237.335 1 -12 2 11 2009.98 347.522 -2 -12 2 11 2009.98 347.522 1 -12 2 10 1218.35 238.037 1 -12 2 10 1825.10 325.530 -2 -12 2 10 1825.10 325.530 1 -12 2 9 93.4526 339.466 -2 -12 2 9 93.4526 339.466 1 -12 2 8 331.879 330.244 -2 -12 2 8 331.879 330.244 1 -12 2 7 469.596 224.931 1 -12 2 7 579.178 361.851 -2 -12 2 7 579.178 361.851 1 -12 2 6 2311.97 253.457 1 -12 2 6 2966.08 280.528 -2 -12 2 6 2966.08 280.528 1 -12 2 5 2612.22 260.112 1 -12 2 5 3453.23 289.332 -2 -12 2 5 3453.23 289.332 1 -12 2 4 377.947 289.579 -2 -12 2 4 377.947 289.579 1 -12 2 3 2374.19 329.892 -2 -12 2 3 2374.19 329.892 1 -12 2 2 3935.28 360.921 -2 -12 2 2 3935.28 360.921 1 -12 2 1 2889.06 358.072 -2 -12 2 1 2889.06 358.072 1 -12 2 0 535.769 346.514 -2 -12 2 0 535.769 346.514 1 12 -2 1 36.7458 201.473 1 -12 2 -1 134.255 333.323 -2 -12 2 -1 134.255 333.323 1 12 -2 2 116.957 245.929 1 -12 2 -2 423.070 304.223 -2 -12 2 -2 423.070 304.223 1 12 -2 3 14664.6 297.996 1 -12 2 -4 1385.57 240.306 1 -12 2 -5 1391.58 213.681 1 12 -2 6 1080.56 217.986 1 12 -2 7 1769.18 213.285 1 12 -2 8 5257.58 225.538 1 12 -2 9 118.611 175.858 1 12 -2 10 957.368 164.821 1 12 -2 11-20.1805 128.863 1 12 -2 12 499.576 125.070 1 -12 2 22 294.531 175.264 -2 -12 1 22 294.531 175.264 1 -12 2 21 640.721 214.346 -2 -12 1 21 640.721 214.346 1 -12 2 20 111.343 232.243 -2 -12 1 20 111.343 232.243 1 -12 2 19 2712.51 272.076 -2 -12 1 19 2712.51 272.076 1 -12 1 18 2030.16 327.516 1 -12 2 18 2256.22 302.933 -2 -12 1 18 2256.22 302.933 1 -12 1 17 19.6169 247.042 1 -12 1 16 2091.86 269.803 1 -12 1 15 91.0335 253.181 1 -12 1 15 234.007 352.589 -2 -12 1 15 234.007 352.589 1 -12 1 14 77.3294 224.104 1 -12 1 14 148.135 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0 8 172.859 229.422 -2 12 -1 9 172.859 229.422 1 12 0 9 551.388 198.518 -2 12 -1 10 551.388 198.518 1 12 -1 11 1129.87 120.778 1 12 -1 12 6.01104 101.636 1 -12 1 22 841.635 169.070 -2 -12 0 22 841.635 169.070 1 -12 1 21 149.481 200.992 -2 -12 0 21 149.481 200.992 1 -12 0 20 981.238 188.109 1 -12 1 20 1163.56 233.156 -2 -12 0 20 1163.56 233.156 1 -12 0 19 179.855 200.883 1 -12 1 19 1239.56 292.767 -2 -12 0 19 1239.56 292.767 1 -12 0 18 2104.38 241.776 1 -12 0 17 716.869 228.159 1 -12 0 16 894.318 255.096 1 -12 0 15 110.551 252.715 1 12 0 -14 27.0062 246.123 1 -12 0 14 129.080 355.136 -2 -12 0 14 129.080 355.136 1 -12 0 13 1194.96 284.845 1 -12 0 13 1220.25 313.855 -2 -12 0 13 1220.25 313.855 1 -12 0 12 120.791 266.091 1 -12 0 12 122.498 312.316 -2 -12 0 12 122.498 312.316 1 -12 0 11 426.747 314.415 -2 -12 0 11 426.747 314.415 1 -12 0 10 840.858 363.373 -2 -12 0 10 840.858 363.373 1 -12 0 9 1759.07 358.996 -2 -12 0 9 1759.07 358.996 1 -12 0 8 170.904 250.300 1 -12 0 7 1909.16 335.366 1 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1 -12 -1 14 95.1609 265.331 1 -12 -1 13 184.321 271.109 1 -12 -1 12 1057.97 276.152 1 12 1 -11 2853.31 294.627 1 -12 -1 10 371.930 279.664 1 -12 -1 9 1486.29 296.286 1 -12 -1 8 63.0192 280.541 1 -12 -1 7 10664.3 283.833 1 12 1 -8 9594.11 408.347 -2 12 1 -7 9594.11 408.347 1 12 1 -7 4163.25 391.297 -2 12 1 -6 4163.25 391.297 1 12 1 -6 659.050 298.697 -2 12 1 -5 659.050 298.697 1 12 1 -5 6041.85 326.773 -2 12 1 -4 6041.85 326.773 1 -12 -1 4 5755.33 368.815 -2 -12 -1 3 5755.33 368.815 1 12 1 -2 1412.05 327.354 1 -12 -1 3 3381.12 382.521 -2 -12 -1 2 3381.12 382.521 1 -12 -1 1 481.341 264.442 1 -12 -1 0 231.416 254.191 1 12 1 1 1474.01 269.835 1 12 1 2 455.886 266.278 1 12 1 3 852.852 216.050 1 12 1 4 32.3460 205.308 1 12 1 5 1080.53 187.767 1 12 1 6 1735.30 185.253 1 12 1 7 2117.17 176.105 1 12 2 7 891.841 207.540 -2 12 1 8 891.841 207.540 1 12 2 8 609.422 177.418 -2 12 1 9 609.422 177.418 1 12 2 9 160.748 140.814 -2 12 1 10 160.748 140.814 1 -12 -2 22 72.3428 120.961 1 12 2 -21 955.921 149.490 1 -12 -2 20 828.737 156.810 1 -12 -2 19 495.491 187.335 1 -12 -2 18 298.381 205.225 1 -12 -2 17 1336.21 229.969 1 -12 -2 16 500.991 254.430 1 -12 -2 15 90.8094 247.392 1 -12 -2 14 276.826 255.194 1 -12 -2 13 93.5917 267.382 1 -12 -2 12 387.786 266.231 1 12 2 -11 5941.88 306.523 1 12 2 -10 1942.12 278.204 1 12 2 -11 4125.39 363.422 -2 12 2 -10 4125.39 363.422 1 12 2 -9 86.9191 322.456 1 12 2 -10 841.792 352.718 -2 12 2 -9 841.792 352.718 1 12 2 -9 384.197 334.230 -2 12 2 -8 384.197 334.230 1 12 2 -8 4642.12 344.829 -2 12 2 -7 4642.12 344.829 1 12 2 -7 8662.02 413.743 -2 12 2 -6 8662.02 413.743 1 12 2 -6 2574.21 317.504 -2 12 2 -5 2574.21 317.504 1 12 2 -5 10091.5 412.739 -2 12 2 -4 10091.5 412.739 1 12 2 -4 4185.87 339.366 -2 12 2 -3 4185.87 339.366 1 12 2 -3 454.736 325.030 -2 12 2 -2 454.736 325.030 1 12 2 -1 115.632 274.211 1 12 2 0 250.750 265.356 1 12 2 1 54.3729 254.232 1 12 2 2 96.4544 236.427 1 12 2 3 2374.38 209.557 1 12 2 4 225.976 186.450 1 12 2 5 2241.02 176.696 1 12 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2139.70 311.835 -2 12 4 -9 2139.70 311.835 1 12 4 -9 1503.70 335.425 -2 12 4 -8 1503.70 335.425 1 12 4 -8 656.736 332.960 -2 12 4 -7 656.736 332.960 1 12 4 -7 345.532 341.623 -2 12 4 -6 345.532 341.623 1 12 4 -6 2443.53 289.536 -2 12 4 -5 2443.53 289.536 1 12 4 -5 994.041 293.896 -2 12 4 -4 994.041 293.896 1 12 4 -4 14938.5 375.142 -2 12 4 -3 14938.5 375.142 1 12 4 -2 2479.98 283.502 1 12 4 -3 8262.68 424.166 -2 12 4 -2 8262.68 424.166 1 12 4 -1 358.208 224.332 1 12 4 0 180.983 207.393 1 12 4 1 941.559 194.318 1 12 4 2 158.349 187.011 1 12 4 3 38.4980 164.911 1 12 4 4 0.88899 152.699 1 12 4 5 225.258 126.012 1 12 4 6-32.7586 131.635 1 12 4 7 81.2162 116.333 1 -12 -5 19 203.424 123.645 1 12 4 -20 551.387 157.206 -2 12 5 -19 551.387 157.206 1 -12 -5 18 826.366 239.427 1 12 4 -19 1018.46 194.240 -2 12 5 -18 1018.46 194.240 1 -12 -5 17 203.202 169.985 1 -12 -5 16 804.772 189.695 1 -12 -5 15 31.3469 190.151 1 12 5 -14 4330.83 217.407 1 12 5 -13 3846.46 225.348 1 12 5 -12 578.345 209.997 1 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5798.02 225.276 -2 12 6 -11 5798.02 225.276 1 12 6 -11 2406.85 234.436 -2 12 6 -10 2406.85 234.436 1 12 6 -10 2623.15 247.922 -2 12 6 -9 2623.15 247.922 1 12 6 -9 2405.88 249.672 -2 12 6 -8 2405.88 249.672 1 12 6 -8 963.754 260.383 -2 12 6 -7 963.754 260.383 1 12 6 -7 209.550 254.469 -2 12 6 -6 209.550 254.469 1 12 6 -6 1258.16 229.034 -2 12 6 -5 1258.16 229.034 1 12 6 -5 5050.67 242.231 -2 12 6 -4 5050.67 242.231 1 12 6 -3 2016.13 165.799 1 12 6 -4 3904.22 249.756 -2 12 6 -3 3904.22 249.756 1 12 6 -2 138.231 169.997 1 12 6 -1 69.7458 156.315 1 12 6 0 1786.12 150.010 1 12 6 1 352.993 148.579 1 12 6 2 638.118 133.230 1 12 6 3 690.308 117.874 1 -12 -7 17 1164.99 105.977 1 -12 -7 16 202.615 120.135 1 -12 -7 15 834.926 124.311 1 -12 -7 14 173.503 140.150 1 -12 -7 13 3370.45 173.766 1 -12 -7 12 717.876 167.933 1 12 7 -13 1948.60 300.731 -2 12 7 -12 1948.60 300.731 1 -12 -7 12 1526.10 202.190 -2 -12 -7 11 1526.10 202.190 1 12 7 -11 2407.31 207.870 -2 12 7 -10 2407.31 207.870 1 12 7 -10 967.638 198.873 -2 12 7 -9 967.638 198.873 1 12 7 -9 1929.92 217.927 -2 12 7 -8 1929.92 217.927 1 12 7 -8 1662.79 222.855 -2 12 7 -7 1662.79 222.855 1 12 7 -7 1957.85 223.774 -2 12 7 -6 1957.85 223.774 1 12 7 -6 1175.96 218.167 -2 12 7 -5 1175.96 218.167 1 12 7 -4 5.70735 119.351 1 12 7 -5 318.679 211.484 -2 12 7 -4 318.679 211.484 1 12 7 -3 279.818 134.254 1 12 7 -4 54.2763 169.657 -2 12 7 -3 54.2763 169.657 1 12 7 -2 113.449 132.620 1 12 7 -1 135.282 118.311 1 12 7 0 26.5838 119.306 1 12 7 1 150.699 110.124 1 -12 -8 14 982.100 98.8653 1 -12 -8 13 677.603 109.597 1 -12 -8 12 213.961 113.959 1 12 8 -13 350.072 144.276 -2 12 8 -12 350.072 144.276 1 12 8 -11-15.0724 110.809 1 -12 -8 12 51.9766 143.396 -2 -12 -8 11 51.9766 143.396 1 -12 -8 11 711.350 138.286 -2 -12 -8 10 711.350 138.286 1 -12 -8 10 790.560 149.991 -2 -12 -8 9 790.560 149.991 1 -12 -8 9 329.214 150.627 -2 -12 -8 8 329.214 150.627 1 -12 -8 8 677.706 149.349 -2 -12 -8 7 677.706 149.349 1 12 8 -7 3163.35 180.663 -2 12 8 -6 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303.944 1 -13 11 0 153.413 307.902 -2 -13 11 0 153.413 307.902 1 -13 11 -1 58.2282 303.545 -2 -13 11 -1 58.2282 303.545 1 -13 11 -2 2081.62 310.673 -2 -13 11 -2 2081.62 310.673 1 -13 11 -3 252.919 285.336 -2 -13 11 -3 252.919 285.336 1 -13 11 -4 604.734 279.713 -2 -13 11 -4 604.734 279.713 1 -13 11 -5 112.928 268.409 -2 -13 11 -5 112.928 268.409 1 -13 11 -6 1207.80 259.658 -2 -13 11 -6 1207.80 259.658 1 -13 11 -7 411.121 233.268 -2 -13 11 -7 411.121 233.268 1 -13 11 -8 3051.14 159.754 1 13 -11 8 3545.11 211.469 -2 13 -11 8 3545.11 211.469 1 -13 11 -9-4.83765 158.176 1 13 -11 9 142.966 165.101 -2 13 -11 9 142.966 165.101 1 -13 11 -10 156.729 149.389 1 -13 11 -11 180.280 107.607 1 -13 10 18 73.5413 162.642 1 -13 11 17 103.782 149.773 -2 -13 10 18 103.782 149.773 1 -13 10 17 205.011 161.433 1 -13 10 16 74.8295 187.050 1 -13 10 15 39.9267 203.116 1 -13 10 14 139.111 203.734 1 -13 10 13 171.979 222.263 1 -13 10 13 245.063 289.134 -2 -13 10 13 245.063 289.134 1 -13 10 12 69.6606 305.725 -2 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281.650 -2 -13 10 -5 111.509 281.650 1 -13 10 -6 345.272 262.639 -2 -13 10 -6 345.272 262.639 1 -13 10 -7 307.836 241.738 -2 -13 10 -7 307.836 241.738 1 -13 10 -8 129.910 185.981 1 -13 10 -8 279.012 204.179 -2 -13 10 -8 279.012 204.179 1 -13 10 -9 128.747 163.501 1 13 -10 9 75.3911 180.691 -2 13 -10 9 75.3911 180.691 1 -13 10 -10 85.6094 141.304 1 -13 10 -11 187.519 114.325 1 -13 9 19-37.5376 136.990 1 -13 9 18 434.224 171.294 1 -13 9 17 78.1122 190.608 1 -13 9 16 25.4215 213.849 1 -13 9 15-52.7789 228.102 1 -13 9 14 84.4245 225.279 1 -13 9 13 148.265 262.188 1 -13 9 13 1.46328 298.580 -2 -13 9 13 1.46328 298.580 1 -13 9 12 1902.05 331.431 -2 -13 9 12 1902.05 331.431 1 -13 9 11 710.747 318.642 -2 -13 9 11 710.747 318.642 1 -13 9 10 3440.28 351.757 -2 -13 9 10 3440.28 351.757 1 -13 9 9 4963.00 366.160 -2 -13 9 9 4963.00 366.160 1 -13 9 8 133.203 293.959 -2 -13 9 8 133.203 293.959 1 -13 9 7 2400.30 353.274 -2 -13 9 7 2400.30 353.274 1 -13 9 6 965.882 317.489 -2 -13 9 6 965.882 317.489 1 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-12 1 23 -0.16 0.00 -12 2 23 -0.17 0.00 2 2 23 0.11 0.00 -12 3 23 0.47 0.00 1 3 23 0.56 0.00 -1 5 23 0.09 0.00 -7 6 23 0.06 0.00 -2 6 23 -0.20 0.00 -9 7 23 0.70 0.00 -8 7 23 -1.15 0.00 -7 7 23 0.59 0.00 -6 7 23 0.52 0.00 -4 7 23 0.20 0.00 -4 -9 24 -0.12 0.00 1 -9 24 -0.19 0.00 -6 -8 24 0.07 0.00 2 -8 24 0.27 0.00 -7 -7 24 -0.46 0.00 -8 -6 24 0.53 0.00 -10 -3 24 0.03 0.00 2 -1 24 0.23 0.00 -11 0 24 -0.48 0.00 -11 1 24 -0.40 0.00 1 1 24 0.15 0.00 -11 2 24 0.29 0.00 -9 5 24 -0.06 0.00 -3 5 24 0.18 0.00 -8 6 24 0.27 0.00 -7 6 24 0.50 0.00 -6 6 24 -0.42 0.00 -5 -7 25 0.00 0.00 0 -7 25 0.71 0.00 -6 -6 25 0.18 0.00 -7 -5 25 0.05 0.00 1 -5 25 0.21 0.00 -8 -4 25 -0.43 0.00 1 -4 25 0.43 0.00 1 -3 25 0.40 0.00 -9 -2 25 -0.40 0.00 0 -1 25 0.07 0.00 -1 1 25 -0.17 0.00 -9 2 25 0.14 0.00 -2 2 25 -0.17 0.00 -3 3 25 0.33 0.00 -7 4 25 0.28 0.00 -6 4 25 -0.82 0.00 -5 4 25 0.60 0.00 -5 -4 26 0.04 0.00 -4 -4 26 0.21 0.00 -3 -4 26 -0.43 0.00 -2 -4 26 0.02 0.00 -6 -3 26 -0.17 0.00 -2 -3 26 -0.17 0.00 -6 -2 26 0.79 0.00 -2 -2 26 -0.49 0.00 -7 -1 26 0.29 0.00 -3 -1 26 -0.52 0.00 -7 0 26 0.38 0.00 -6 0 26 0.95 0.00 -5 0 26 -0.67 0.00 -4 0 26 0.05 0.00 -6 1 26 0.14 0.00 -5 1 26 0.33 0.00 0 0 0 0.00 0.00 # SQUEEZE RESULTS (Version = 30715) # Note: Data are Listed for all Voids in the P1 Unit Cell # i.e. Centre of Gravity, Solvent Accessible Volume, # Recovered number of Electrons in the Void and # Details about the Squeezed Material loop_ _platon_squeeze_void_nr _platon_squeeze_void_average_x _platon_squeeze_void_average_y _platon_squeeze_void_average_z _platon_squeeze_void_volume _platon_squeeze_void_count_electrons _platon_squeeze_void_content 1 0.010 0.000 0.500 1278 327 ' ' _platon_squeeze_void_probe_radius 1.20 _platon_squeeze_details ) TITL xs0806a P -1 R = 0.14 CELL 14.2771 15.7261 21.1824 95.67 104.61 109.64 SPGR P-1 # Solvent Accessible Volume = 1301.5 # Electrons Found in S.A.V. = 327.0 # Note: Atoms in Void as Cxxx and Qxxx all others C101 0.563 0.895 0.277 ! 5.03 eA-3 C102 0.452 0.647 0.346 ! 3.65 eA-3 C103 0.457 0.562 0.338 ! 3.54 eA-3 C104 0.557 0.559 0.343 ! 3.27 eA-3 C105 0.582 0.767 0.232 ! 3.04 eA-3 C106 0.369 0.660 0.362 ! 2.97 eA-3 Q107 0.895 0.264 0.168 ! 2.69 eA-3 C108 0.372 0.755 0.387 ! 2.61 eA-3 C109 0.602 0.796 0.265 ! 2.53 eA-3 C110 0.609 0.617 0.425 ! 2.45 eA-3 C111 0.720 0.794 0.314 ! 2.08 eA-3 C112 0.215 0.975 0.283 ! 2.04 eA-3 C113 0.608 0.108 0.457 ! 1.92 eA-3 C114 0.031 0.013 0.499 ! 1.91 eA-3 C115 0.406 0.032 0.360 ! 1.89 eA-3 C116 0.471 0.083 0.401 ! 1.70 eA-3 C117 0.198 0.872 0.284 ! 1.69 eA-3 C118 0.567 0.079 0.409 ! 1.62 eA-3 C119 0.714 0.850 0.393 ! 1.58 eA-3 C120 0.286 0.013 0.344 ! 1.58 eA-3 C121 0.144 0.932 0.235 ! 1.42 eA-3 C122 0.326 0.804 0.293 ! 1.37 eA-3 C123 0.841 0.950 0.471 ! 1.35 eA-3 C124 0.768 0.916 0.484 ! 1.31 eA-3 C125 0.559 0.682 0.312 ! 1.31 eA-3 Q126 0.764 0.141 0.391 ! 1.22 eA-3 C127 0.075 0.861 0.184 ! 1.20 eA-3 Q128 0.562 0.043 0.261 ! 1.10 eA-3 Q129 0.817 0.329 0.181 ! 1.08 eA-3 Q130 0.028 0.164 0.020 ! 0.70 eA-3 C131 0.205 0.997 0.442 ! 0.70 eA-3 Q132 0.045 0.038 0.035 ! 0.59 eA-3 Q133 0.059 0.102-0.003 ! 0.58 eA-3 Q134 0.032 0.094 0.069 ! 0.56 eA-3 C135 0.360 0.074 0.466 ! 0.55 eA-3 Q136 0.734 0.404 0.481 ! 0.54 eA-3 C137 0.660 0.805 0.485 ! 0.54 eA-3 Q138 0.013 0.122 0.123 ! 0.52 eA-3 Q139 0.435 0.282 0.096 ! 0.50 eA-3 ) ; _shelx_fab_checksum 83305