data_0217-1_auto_sq _audit_creation_date 2023-02-27 _audit_creation_method ; Olex2 1.5 (compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498) ; _shelx_SHELXL_version_number '2018/3' _audit_contact_author_address ? _audit_contact_author_email ? _audit_contact_author_name '' _audit_contact_author_phone ? _publ_contact_author_id_orcid ? _publ_section_references ; Dolomanov, O.V., Bourhis, L.J., Gildea, R.J, Howard, J.A.K. & Puschmann, H. (2009), J. Appl. Cryst. 42, 339-341. Sheldrick, G.M. (2015). Acta Cryst. C71, 3-8. ; _chemical_name_common ? _chemical_name_systematic ? _chemical_formula_moiety 'C66 H48 Fe3' _chemical_formula_sum 'C66 H48 Fe3' _chemical_formula_weight 1008.59 _chemical_absolute_configuration ? _chemical_melting_point ? _chemical_oxdiff_formula CHFeCl loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source 'C' 'C' 0.0137 0.0067 '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' 'Fe' 'Fe' -0.2673 2.5550 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _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. ; _space_group_crystal_system 'orthorhombic' _space_group_IT_number 19 _space_group_name_H-M_alt 'P 21 21 21' _space_group_name_Hall 'P 2ac 2ab' loop_ _space_group_symop_operation_xyz 'x, y, z' '-x+1/2, -y, z+1/2' '-x, y+1/2, -z+1/2' 'x+1/2, -y+1/2, -z' _cell_length_a 11.8673(6) _cell_length_b 13.7758(7) _cell_length_c 31.2560(19) _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 5109.8(5) _cell_formula_units_Z 4 _cell_measurement_reflns_used 8074 _cell_measurement_temperature 104(6) _cell_measurement_theta_max 52.9140 _cell_measurement_theta_min 2.4480 _shelx_estimated_absorpt_T_max 0.759 _shelx_estimated_absorpt_T_min 0.529 _exptl_absorpt_coefficient_mu 4.865 _exptl_absorpt_correction_T_max 1.00000 _exptl_absorpt_correction_T_min 0.62167 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details ; CrysAlisPro 1.171.41.93a (Rigaku Oxford Diffraction, 2020) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm. ; _exptl_absorpt_special_details ? _exptl_crystal_colour colourless _exptl_crystal_colour_primary colourless _exptl_crystal_density_diffrn 1.311 _exptl_crystal_density_meas ? _exptl_crystal_density_method ? _exptl_crystal_description plate _exptl_crystal_F_000 2088 _exptl_crystal_size_max 0.15 _exptl_crystal_size_mid 0.11 _exptl_crystal_size_min 0.06 _exptl_transmission_factor_max ? _exptl_transmission_factor_min ? _diffrn_reflns_av_R_equivalents 0.0610 _diffrn_reflns_av_unetI/netI 0.0837 _diffrn_reflns_Laue_measured_fraction_full 0.997 _diffrn_reflns_Laue_measured_fraction_max 0.967 _diffrn_reflns_limit_h_max 14 _diffrn_reflns_limit_h_min -10 _diffrn_reflns_limit_k_max 16 _diffrn_reflns_limit_k_min -16 _diffrn_reflns_limit_l_max 34 _diffrn_reflns_limit_l_min -38 _diffrn_reflns_number 19153 _diffrn_reflns_point_group_measured_fraction_full 0.945 _diffrn_reflns_point_group_measured_fraction_max 0.908 _diffrn_reflns_theta_full 53.543 _diffrn_reflns_theta_max 56.335 _diffrn_reflns_theta_min 2.458 _diffrn_ambient_environment N~2~ _diffrn_ambient_temperature 104(6) _diffrn_detector 'Hybrid Pixel Array Detector' _diffrn_detector_area_resol_mean 10.0000 _diffrn_detector_type HyPix _diffrn_measured_fraction_theta_full 0.997 _diffrn_measured_fraction_theta_max 0.967 _diffrn_measurement_details ; List of Runs (angles in degrees, time in seconds): # Type Start End Width t~exp~ \w \q \k \f Frames -------------------------------------------------------------------------- 1 \w 101.00 140.00 0.50 3.60 -- 67.36 53.00-177.00 78 2 \w 59.00 87.00 0.50 3.60 -- 67.36 53.00-177.00 56 3 \w 89.00 136.00 0.50 3.60 -- 67.36 125.00-120.00 94 4 \w 88.00 114.00 0.50 3.60 -- 67.36 125.00 30.00 52 5 \w 0.00 50.00 0.50 3.60 -- 67.36 -38.00 60.00 100 6 \w -97.00 3.00 0.50 3.60 -- -69.86 73.00 25.00 200 7 \w 3.00 30.00 0.50 0.80 -- -1.25 -99.00 0.00 54 8 \w -8.00 27.00 0.50 0.80 -- -1.25 -99.00 30.00 70 9 \w -8.00 35.00 0.50 0.80 -- -1.25 -99.00 150.00 86 10 \w -145.00 -92.00 0.50 3.60 -- -69.86-105.00 169.00 106 ; _diffrn_measurement_device 'four-circle diffractometer' _diffrn_measurement_device_type 'ROD, Synergy Custom system, HyPix' _diffrn_measurement_method '\w scans' _diffrn_orient_matrix_type 'CrysAlisPro convention (1999,Acta A55,543-557)' _diffrn_orient_matrix_UB_11 0.0247681000 _diffrn_orient_matrix_UB_12 -0.0616109000 _diffrn_orient_matrix_UB_13 -0.0316878000 _diffrn_orient_matrix_UB_21 -0.0676761000 _diffrn_orient_matrix_UB_22 0.0498799000 _diffrn_orient_matrix_UB_23 -0.0264119000 _diffrn_orient_matrix_UB_31 0.0870333000 _diffrn_orient_matrix_UB_32 0.0561811000 _diffrn_orient_matrix_UB_33 -0.0114478000 _diffrn_radiation_monochromator mirror _diffrn_radiation_probe x-ray _diffrn_radiation_type 'Ga K\a' _diffrn_radiation_wavelength 1.3405 _diffrn_source 'Ga K\a' _reflns_Friedel_coverage 0.690 _reflns_Friedel_fraction_full 0.879 _reflns_Friedel_fraction_max 0.834 _reflns_number_gt 7056 _reflns_number_total 9301 _reflns_special_details ; Reflections were merged by SHELXL according to the crystal class for the calculation of statistics and refinement. 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. Completness statistics refer to single and composite reflections containing twin component 1 only. ; _reflns_threshold_expression 'I > 2\s(I)' _computing_cell_refinement 'CrysAlisPro 1.171.41.93a (Rigaku OD, 2020)' _computing_data_collection 'CrysAlisPro 1.171.41.93a (Rigaku OD, 2020)' _computing_data_reduction 'CrysAlisPro 1.171.41.93a (Rigaku OD, 2020)' _computing_molecular_graphics 'Olex2 1.5 (Dolomanov et al., 2009)' _computing_publication_material 'Olex2 1.5 (Dolomanov et al., 2009)' _computing_structure_refinement 'SHELXL 2018/3 (Sheldrick, 2015)' _computing_structure_solution ? _refine_diff_density_max 0.708 _refine_diff_density_min -0.508 _refine_diff_density_rms 0.091 _refine_ls_abs_structure_details ; Refined as an inversion twin. ; _refine_ls_abs_structure_Flack 0.046(10) _refine_ls_extinction_coef . _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.051 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 623 _refine_ls_number_reflns 9301 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0910 _refine_ls_R_factor_gt 0.0681 _refine_ls_restrained_S_all 1.051 _refine_ls_shift/su_max 0.000 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.1050P)^2^] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.1690 _refine_ls_wR_factor_ref 0.1805 _refine_special_details ; Refined as a 2-component inversion twin. ; _olex2_refinement_description ; 1. Twinned data refinement Scales: 0.954(10) 0.046(10) 2. Fixed Uiso At 1.2 times of: All C(H) groups 3.a Aromatic/amide H refined with riding coordinates: C006(H006), C008(H008), C00A(H00A), C00C(H00C), C00E(H00E), C00I(H00I), C00K(H00K), C00M(H00M), C00N(H00N), C00O(H00O), C00P(H00P), C00S(H00S), C00T(H00T), C00V(H00V), C00X(H00X), C011(H011), C012(H012), C013(H013), C014(H014), C015(H015), C016(H016), C017(H017), C018(H018), C019(H019), C01A(H01A), C01B(H01B), C01C(H01C), C01E(H01E), C01F(H01F), C01G(H01G), C01H(H01H), C01I(H01I), C01K(H01K), C01L(H01L), C01M(H01M), C01N(H01N), C01O(H01O), C01P(H01P), C01Q(H01Q), C01R(H01R), C01S(H01S), C01T(H01T), C01U(H01U), C01V(H01V), C01W(H01W), C01X(H01X), C01Y(H01Y), C020(H020) ; _atom_sites_solution_hydrogens geom _atom_sites_solution_primary ? _atom_sites_solution_secondary ? 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 Fe01 Fe 1.06887(11) 0.53475(9) 0.73033(4) 0.0343(3) Uani 1 1 d . . . . . Fe02 Fe 1.04313(11) 0.74333(10) 0.33438(4) 0.0368(3) Uani 1 1 d . . . . . Fe03 Fe 0.38241(10) 0.08537(10) 0.48492(5) 0.0352(3) Uani 1 1 d . . . . . C006 C 0.9797(6) 0.5361(6) 0.6750(3) 0.0306(18) Uani 1 1 d . . . . . H006 H 0.994144 0.497133 0.650535 0.037 Uiso 1 1 calc R U . . . C007 C 1.1524(7) 0.7497(7) 0.5671(3) 0.0353(19) Uani 1 1 d . . . . . C008 C 1.0778(8) 0.8033(6) 0.5920(3) 0.038(2) Uani 1 1 d . . . . . H008 H 1.047255 0.862132 0.581175 0.045 Uiso 1 1 calc R U . . . C009 C 0.8997(6) 0.5369(7) 0.3334(3) 0.0333(19) Uani 1 1 d . . . . . C00A C 0.9994(7) 0.6531(6) 0.3829(3) 0.0313(19) Uani 1 1 d . . . . . H00A H 0.937612 0.661117 0.401924 0.038 Uiso 1 1 calc R U . . . C00B C 1.1419(7) 0.7354(6) 0.4313(3) 0.035(2) Uani 1 1 d . . . . . C00C C 0.5204(7) 0.1694(6) 0.4938(3) 0.032(2) Uani 1 1 d . . . . . H00C H 0.517006 0.237767 0.497446 0.039 Uiso 1 1 calc R U . . . C00D C 1.1620(6) 0.7636(6) 0.5201(3) 0.0325(19) Uani 1 1 d . . . . . C00E C 0.7962(8) 0.5601(7) 0.3495(3) 0.043(2) Uani 1 1 d . . . . . H00E H 0.780252 0.625287 0.357406 0.051 Uiso 1 1 calc R U . . . C00F C 1.0270(7) 0.6309(6) 0.6828(3) 0.036(2) Uani 1 1 d . . . . . C00G C 0.9075(8) 0.5099(6) 0.7100(3) 0.036(2) Uani 1 1 d . . . . . C00H C 0.7337(7) 0.3944(6) 0.3428(3) 0.034(2) Uani 1 1 d . . . . . C00I C 1.2410(8) 0.7132(7) 0.4524(3) 0.047(2) Uani 1 1 d . . . . . H00I H 1.303302 0.688180 0.436849 0.057 Uiso 1 1 calc R U . . . C00J C 1.1130(7) 0.6913(6) 0.3895(3) 0.035(2) Uani 1 1 d . . . . . C00K C 0.5598(8) 0.3316(7) 0.3781(3) 0.045(2) Uani 1 1 d . . . . . H00K H 0.521372 0.390201 0.371471 0.054 Uiso 1 1 calc R U . . . C00L C 1.0860(7) 0.6825(6) 0.6483(3) 0.034(2) Uani 1 1 d . . . . . C00M C 0.7131(8) 0.4880(7) 0.3546(3) 0.041(2) Uani 1 1 d . . . . . H00M H 0.641902 0.504739 0.366446 0.050 Uiso 1 1 calc R U . . . C00N C 0.8076(7) 0.2704(6) 0.6705(3) 0.036(2) Uani 1 1 d . . . . . H00N H 0.838562 0.215348 0.656448 0.043 Uiso 1 1 calc R U . . . C00O C 1.0692(8) 0.7992(7) 0.4973(3) 0.043(2) Uani 1 1 d . . . . . H00O H 1.011655 0.833454 0.512070 0.052 Uiso 1 1 calc R U . . . C00P C 1.0599(8) 0.7852(6) 0.4530(3) 0.040(2) Uani 1 1 d . . . . . H00P H 0.996630 0.810367 0.438051 0.048 Uiso 1 1 calc R U . . . C00Q C 0.5310(7) 0.1198(7) 0.4534(3) 0.040(2) Uani 1 1 d . . . . . C00R C 0.9968(7) 0.6023(6) 0.3438(3) 0.034(2) Uani 1 1 d . . . . . C00S C 1.1686(8) 0.6357(6) 0.6250(3) 0.038(2) Uani 1 1 d . . . . . H00S H 1.203069 0.579088 0.636469 0.046 Uiso 1 1 calc R U . . . C00T C 0.6493(7) 0.1270(6) 0.6333(3) 0.039(2) Uani 1 1 d . . . . . H00T H 0.701841 0.092974 0.650619 0.046 Uiso 1 1 calc R U . . . C00U C 0.6187(7) 0.2198(6) 0.6448(3) 0.035(2) Uani 1 1 d . . . . . C00V C 0.7204(7) 0.4247(7) 0.7163(3) 0.038(2) Uani 1 1 d . . . . . H00V H 0.690320 0.473615 0.734460 0.046 Uiso 1 1 calc R U . . . C00W C 0.6892(8) 0.2795(7) 0.6744(3) 0.041(2) Uani 1 1 d . . . . . C00X C 1.1083(8) 0.6080(7) 0.3250(3) 0.042(2) Uani 1 1 d . . . . . H00X H 1.130944 0.580349 0.298520 0.050 Uiso 1 1 calc R U . . . C00Y C 0.6642(8) 0.3132(7) 0.3605(3) 0.036(2) Uani 1 1 d . . . . . C00Z C 0.8375(7) 0.4239(7) 0.7070(3) 0.039(2) Uani 1 1 d . . . . . C010 C 0.5160(7) 0.0994(7) 0.5273(3) 0.041(2) Uani 1 1 d . . . . . C011 C 0.9149(7) 0.4475(6) 0.3157(3) 0.038(2) Uani 1 1 d . . . . . H011 H 0.981536 0.433733 0.300056 0.045 Uiso 1 1 calc R U . . . C012 C 1.2334(8) 0.4937(7) 0.7277(3) 0.044(2) Uani 1 1 d . . . . . H012 H 1.282383 0.502828 0.704041 0.053 Uiso 1 1 calc R U . . . C013 C 0.8793(7) 0.3411(6) 0.6869(3) 0.0345(19) Uani 1 1 d . . . . . H013 H 0.958464 0.332806 0.684312 0.041 Uiso 1 1 calc R U . . . C014 C 0.6578(8) 0.1542(7) 0.3920(3) 0.043(2) Uani 1 1 d . . . . . H014 H 0.689505 0.091066 0.394221 0.051 Uiso 1 1 calc R U . . . C015 C 0.5304(7) 0.2625(7) 0.6223(3) 0.038(2) Uani 1 1 d . . . . . H015 H 0.499932 0.322589 0.631724 0.046 Uiso 1 1 calc R U . . . C016 C 0.9815(8) 0.6619(7) 0.7238(3) 0.043(2) Uani 1 1 d . . . . . H016 H 0.997056 0.721783 0.737641 0.051 Uiso 1 1 calc R U . . . C017 C 1.1042(8) 0.4274(7) 0.7732(3) 0.048(2) Uani 1 1 d . . . . . H017 H 1.050805 0.384353 0.785542 0.058 Uiso 1 1 calc R U . . . C018 C 1.1366(8) 0.5186(7) 0.7897(3) 0.046(2) Uani 1 1 d . . . . . H018 H 1.109404 0.547083 0.815334 0.056 Uiso 1 1 calc R U . . . C019 C 0.6067(8) 0.0820(8) 0.5978(3) 0.048(2) Uani 1 1 d . . . . . H019 H 0.630375 0.018117 0.590783 0.057 Uiso 1 1 calc R U . . . C01A C 0.8334(8) 0.3767(7) 0.3206(3) 0.039(2) Uani 1 1 d . . . . . H01A H 0.845651 0.314340 0.308547 0.046 Uiso 1 1 calc R U . . . C01B C 1.1664(8) 0.4114(7) 0.7345(3) 0.050(3) Uani 1 1 d . . . . . H01B H 1.162824 0.355471 0.716730 0.060 Uiso 1 1 calc R U . . . C01C C 0.7078(8) 0.2205(7) 0.3662(3) 0.046(2) Uani 1 1 d . . . . . H01C H 0.775015 0.203091 0.351617 0.056 Uiso 1 1 calc R U . . . C01D C 0.5626(8) 0.1757(6) 0.4149(3) 0.039(2) Uani 1 1 d . . . . . C01E C 0.6497(8) 0.3548(7) 0.6994(3) 0.045(2) Uani 1 1 d . . . . . H01E H 0.571207 0.358830 0.705098 0.054 Uiso 1 1 calc R U . . . C01F C 0.4861(7) 0.2171(7) 0.5856(3) 0.044(2) Uani 1 1 d . . . . . H01F H 0.426586 0.246762 0.570048 0.052 Uiso 1 1 calc R U . . . C01G C 1.2176(8) 0.5612(7) 0.7612(3) 0.043(2) Uani 1 1 d . . . . . H01G H 1.253388 0.622467 0.764242 0.052 Uiso 1 1 calc R U . . . C01H C 1.0476(8) 0.7709(6) 0.6328(3) 0.038(2) Uani 1 1 d . . . . . H01H H 1.000188 0.810005 0.650198 0.046 Uiso 1 1 calc R U . . . C01I C 0.9555(11) 0.8711(8) 0.3401(4) 0.063(3) Uani 1 1 d . . . . . H01I H 0.912698 0.892426 0.364003 0.076 Uiso 1 1 calc R U . . . C01J C 0.5299(7) 0.1289(6) 0.5723(3) 0.040(2) Uani 1 1 d . . . . . C01K C 0.9997(11) 0.8036(9) 0.2772(4) 0.064(3) Uani 1 1 d . . . . . H01K H 0.994669 0.771053 0.250424 0.077 Uiso 1 1 calc R U . . . C01L C 0.9113(7) 0.5891(7) 0.7393(3) 0.039(2) Uani 1 1 d . . . . . H01L H 0.871612 0.591764 0.765634 0.047 Uiso 1 1 calc R U . . . C01M C 0.5094(8) 0.2627(8) 0.4062(3) 0.047(2) Uani 1 1 d . . . . . H01M H 0.438799 0.276638 0.419149 0.057 Uiso 1 1 calc R U . . . C01N C 1.1783(8) 0.6627(6) 0.3535(3) 0.043(2) Uani 1 1 d . . . . . H01N H 1.255660 0.677480 0.349097 0.051 Uiso 1 1 calc R U . . . C01O C 1.2498(8) 0.7272(7) 0.4958(3) 0.047(2) Uani 1 1 d . . . . . H01O H 1.318656 0.711295 0.509585 0.056 Uiso 1 1 calc R U . . . C01P C 1.1027(11) 0.8485(7) 0.2947(3) 0.058(3) Uani 1 1 d . . . . . H01P H 1.175601 0.849724 0.282086 0.069 Uiso 1 1 calc R U . . . C01Q C 0.5251(7) 0.0182(7) 0.4621(3) 0.041(2) Uani 1 1 d . . . . . H01Q H 0.527831 -0.032295 0.441436 0.049 Uiso 1 1 calc R U . . . C01R C 0.2459(9) 0.0042(8) 0.4645(4) 0.059(3) Uani 1 1 d . . . . . H01R H 0.249700 -0.059052 0.452445 0.070 Uiso 1 1 calc R U . . . C01S C 1.2018(8) 0.6692(7) 0.5858(3) 0.041(2) Uani 1 1 d . . . . . H01S H 1.260389 0.636369 0.570944 0.049 Uiso 1 1 calc R U . . . C01T C 0.2456(8) 0.1696(8) 0.4718(5) 0.062(4) Uani 1 1 d . . . . . H01T H 0.248225 0.236896 0.465212 0.075 Uiso 1 1 calc R U . . . C01U C 0.5145(8) 0.0055(7) 0.5075(4) 0.048(3) Uani 1 1 d . . . . . H01U H 0.507628 -0.054905 0.521965 0.058 Uiso 1 1 calc R U . . . C01V C 0.2346(8) 0.0271(9) 0.5107(4) 0.059(3) Uani 1 1 d . . . . . H01V H 0.227509 -0.017148 0.533811 0.071 Uiso 1 1 calc R U . . . C01W C 0.9130(10) 0.8157(9) 0.3052(4) 0.066(3) Uani 1 1 d . . . . . H01W H 0.838336 0.791850 0.302028 0.079 Uiso 1 1 calc R U . . . C01X C 0.2369(8) 0.1310(10) 0.5124(5) 0.069(4) Uani 1 1 d . . . . . H01X H 0.233018 0.168113 0.538013 0.083 Uiso 1 1 calc R U . . . C01Y C 1.0700(10) 0.8889(7) 0.3336(4) 0.056(3) Uani 1 1 d . . . . . H01Y H 1.118012 0.923085 0.352749 0.067 Uiso 1 1 calc R U . . . C020 C 0.2501(8) 0.0924(10) 0.4413(4) 0.066(3) Uani 1 1 d . . . . . H020 H 0.254997 0.099081 0.411155 0.079 Uiso 1 1 calc R U . . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 Fe01 0.0444(7) 0.0316(7) 0.0269(6) -0.0015(5) -0.0017(6) -0.0043(6) Fe02 0.0431(8) 0.0359(7) 0.0314(7) 0.0096(6) 0.0052(6) -0.0024(6) Fe03 0.0242(6) 0.0312(7) 0.0502(8) 0.0004(6) -0.0015(6) -0.0060(5) C006 0.028(4) 0.029(4) 0.034(5) 0.006(4) 0.000(3) 0.005(4) C007 0.026(4) 0.040(5) 0.040(5) 0.003(4) -0.002(4) -0.010(4) C008 0.050(5) 0.023(4) 0.040(5) -0.003(4) -0.002(4) -0.011(4) C009 0.030(4) 0.045(5) 0.025(4) -0.005(4) 0.003(3) 0.000(4) C00A 0.037(5) 0.029(4) 0.028(4) 0.003(4) -0.001(4) -0.005(4) C00B 0.042(5) 0.028(5) 0.035(5) 0.007(4) 0.007(4) -0.007(4) C00C 0.029(4) 0.027(4) 0.042(5) 0.003(4) -0.005(4) -0.008(3) C00D 0.029(4) 0.030(5) 0.038(5) 0.008(4) 0.004(4) -0.007(4) C00E 0.046(5) 0.029(5) 0.052(6) -0.001(4) 0.000(5) 0.008(4) C00F 0.039(5) 0.033(5) 0.036(5) -0.001(4) -0.002(4) 0.007(4) C00G 0.051(5) 0.033(5) 0.023(4) 0.003(3) 0.001(4) 0.001(4) C00H 0.037(5) 0.038(5) 0.026(4) 0.001(4) -0.008(4) -0.010(4) C00I 0.036(5) 0.054(6) 0.053(6) -0.001(5) 0.004(5) 0.001(4) C00J 0.030(4) 0.029(4) 0.045(5) 0.000(4) 0.013(4) 0.003(4) C00K 0.042(5) 0.051(6) 0.043(5) 0.009(4) -0.009(5) -0.011(5) C00L 0.043(5) 0.026(4) 0.032(4) 0.004(4) -0.006(4) -0.006(4) C00M 0.033(5) 0.048(6) 0.043(5) -0.009(4) 0.005(4) -0.004(4) C00N 0.036(4) 0.034(5) 0.039(5) 0.003(4) 0.001(4) -0.001(4) C00O 0.043(5) 0.045(5) 0.042(5) -0.004(4) 0.012(4) 0.004(5) C00P 0.038(5) 0.038(5) 0.043(5) 0.008(4) 0.000(4) -0.001(4) C00Q 0.034(5) 0.044(5) 0.042(5) -0.007(4) -0.005(4) 0.001(4) C00R 0.038(5) 0.030(5) 0.035(5) 0.002(4) -0.002(4) 0.005(4) C00S 0.051(6) 0.030(5) 0.033(5) 0.007(4) -0.002(4) 0.005(4) C00T 0.035(5) 0.030(5) 0.050(6) 0.010(4) -0.010(4) -0.009(4) C00U 0.032(4) 0.040(5) 0.034(5) 0.021(4) -0.001(4) -0.012(4) C00V 0.034(5) 0.033(5) 0.047(5) 0.012(4) 0.012(4) 0.005(4) C00W 0.045(5) 0.032(5) 0.045(6) 0.016(4) 0.002(4) -0.005(4) C00X 0.049(5) 0.042(5) 0.033(5) -0.003(4) 0.008(4) 0.000(4) C00Y 0.038(5) 0.042(5) 0.027(5) -0.003(4) -0.002(4) -0.015(4) C00Z 0.043(5) 0.036(5) 0.038(5) 0.006(4) 0.008(4) 0.011(4) C010 0.030(4) 0.038(5) 0.054(6) 0.007(4) 0.001(4) 0.002(4) C011 0.041(5) 0.043(5) 0.029(4) 0.008(4) -0.005(4) 0.004(4) C012 0.047(5) 0.057(6) 0.027(5) 0.003(4) 0.002(4) 0.003(5) C013 0.030(4) 0.039(5) 0.035(5) 0.005(4) 0.003(4) -0.003(4) C014 0.035(5) 0.037(5) 0.056(6) -0.009(5) 0.005(5) -0.012(4) C015 0.041(5) 0.039(5) 0.035(5) 0.009(4) 0.006(4) -0.004(4) C016 0.062(6) 0.039(5) 0.026(5) -0.014(4) -0.004(4) -0.001(5) C017 0.055(6) 0.046(6) 0.043(6) 0.016(5) -0.015(5) -0.017(5) C018 0.058(6) 0.044(6) 0.037(5) 0.011(4) -0.007(5) 0.000(5) C019 0.046(5) 0.041(5) 0.056(6) 0.017(5) 0.001(5) -0.013(5) C01A 0.047(5) 0.041(5) 0.029(5) -0.003(4) -0.006(4) 0.002(4) C01B 0.067(6) 0.029(5) 0.054(6) 0.005(5) -0.022(6) 0.008(5) C01C 0.044(5) 0.046(6) 0.049(6) 0.000(5) -0.001(5) -0.016(5) C01D 0.033(5) 0.037(5) 0.047(5) -0.006(4) -0.004(4) -0.007(4) C01E 0.037(5) 0.049(6) 0.050(6) 0.021(5) 0.009(5) 0.007(5) C01F 0.033(5) 0.052(6) 0.046(6) 0.024(5) -0.006(4) 0.002(4) C01G 0.042(5) 0.041(6) 0.047(6) -0.003(4) 0.002(4) -0.005(4) C01H 0.048(5) 0.031(5) 0.037(5) -0.012(4) 0.005(4) -0.002(4) C01I 0.088(9) 0.051(6) 0.049(7) 0.001(5) 0.006(7) 0.021(6) C01J 0.035(5) 0.029(5) 0.056(6) 0.011(4) 0.002(5) -0.008(4) C01K 0.096(9) 0.057(7) 0.039(6) 0.008(5) -0.004(6) -0.002(7) C01L 0.039(5) 0.043(5) 0.035(5) 0.003(4) 0.006(4) 0.002(4) C01M 0.030(4) 0.071(7) 0.041(5) -0.004(5) 0.004(4) 0.001(5) C01N 0.037(5) 0.028(5) 0.063(7) 0.005(4) 0.014(5) 0.002(4) C01O 0.040(5) 0.050(6) 0.051(6) 0.006(5) -0.004(4) -0.003(5) C01P 0.082(8) 0.042(6) 0.049(6) 0.013(5) 0.001(6) -0.004(6) C01Q 0.036(5) 0.036(5) 0.050(6) -0.002(4) 0.000(4) 0.000(4) C01R 0.041(6) 0.050(6) 0.085(9) 0.003(6) -0.007(6) -0.030(5) C01S 0.037(5) 0.046(6) 0.040(5) 0.004(4) 0.000(4) 0.001(4) C01T 0.031(5) 0.037(6) 0.120(12) 0.012(7) 0.004(6) 0.008(4) C01U 0.046(5) 0.035(5) 0.064(7) 0.004(5) -0.004(5) 0.004(4) C01V 0.039(5) 0.064(8) 0.075(8) 0.009(7) 0.008(6) -0.009(5) C01W 0.060(7) 0.062(7) 0.075(8) 0.039(7) -0.004(7) 0.004(6) C01X 0.033(5) 0.092(10) 0.083(9) -0.025(8) 0.011(6) 0.002(6) C01Y 0.075(8) 0.041(6) 0.051(6) 0.012(5) 0.003(6) 0.001(5) C020 0.039(6) 0.088(9) 0.070(8) 0.008(7) -0.008(5) -0.007(6) _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 Fe01 C006 2.027(8) . ? Fe01 C00F 2.050(9) . ? Fe01 C00G 2.047(9) . ? Fe01 C012 2.034(10) . ? Fe01 C016 2.045(9) . ? Fe01 C017 2.039(9) . ? Fe01 C018 2.034(10) . ? Fe01 C01B 2.060(9) . ? Fe01 C01G 2.044(9) . ? Fe01 C01L 2.033(9) . ? Fe02 C00A 2.030(8) . ? Fe02 C00J 2.043(9) . ? Fe02 C00R 2.041(9) . ? Fe02 C00X 2.040(9) . ? Fe02 C01I 2.052(11) . ? Fe02 C01K 2.038(11) . ? Fe02 C01N 2.041(9) . ? Fe02 C01P 2.035(10) . ? Fe02 C01W 2.053(11) . ? Fe02 C01Y 2.031(10) . ? Fe03 C00C 2.025(8) . ? Fe03 C00Q 2.075(9) . ? Fe03 C010 2.075(9) . ? Fe03 C01Q 2.058(9) . ? Fe03 C01R 2.069(10) . ? Fe03 C01T 2.037(10) . ? Fe03 C01U 2.041(10) . ? Fe03 C01V 2.090(10) . ? Fe03 C01X 2.029(11) . ? Fe03 C020 2.081(11) . ? C006 H006 0.9500 . ? C006 C00F 1.442(12) . ? C006 C00G 1.437(11) . ? C007 C008 1.390(12) . ? C007 C00D 1.484(12) . ? C007 C01S 1.383(13) . ? C008 H008 0.9500 . ? C008 C01H 1.399(12) . ? C009 C00E 1.366(12) . ? C009 C00R 1.499(12) . ? C009 C011 1.361(12) . ? C00A H00A 0.9500 . ? C00A C00J 1.461(12) . ? C00A C00R 1.410(12) . ? C00B C00I 1.383(13) . ? C00B C00J 1.480(12) . ? C00B C00P 1.371(12) . ? C00C H00C 0.9500 . ? C00C C00Q 1.440(12) . ? C00C C010 1.426(12) . ? C00D C00O 1.400(12) . ? C00D C01O 1.385(13) . ? C00E H00E 0.9500 . ? C00E C00M 1.410(13) . ? C00F C00L 1.471(12) . ? C00F C016 1.453(12) . ? C00G C00Z 1.450(13) . ? C00G C01L 1.423(13) . ? C00H C00M 1.363(13) . ? C00H C00Y 1.495(12) . ? C00H C01A 1.392(12) . ? C00I H00I 0.9500 . ? C00I C01O 1.373(14) . ? C00J C01N 1.422(12) . ? C00K H00K 0.9500 . ? C00K C00Y 1.379(13) . ? C00K C01M 1.426(13) . ? C00L C00S 1.380(12) . ? C00L C01H 1.388(12) . ? C00M H00M 0.9500 . ? C00N H00N 0.9500 . ? C00N C00W 1.417(12) . ? C00N C013 1.391(12) . ? C00O H00O 0.9500 . ? C00O C00P 1.401(13) . ? C00P H00P 0.9500 . ? C00Q C01D 1.477(13) . ? C00Q C01Q 1.428(13) . ? C00R C00X 1.450(12) . ? C00S H00S 0.9500 . ? C00S C01S 1.369(12) . ? C00T H00T 0.9500 . ? C00T C00U 1.377(13) . ? C00T C019 1.367(13) . ? C00U C00W 1.494(13) . ? C00U C015 1.392(12) . ? C00V H00V 0.9500 . ? C00V C00Z 1.420(12) . ? C00V C01E 1.382(14) . ? C00W C01E 1.381(14) . ? C00X H00X 0.9500 . ? C00X C01N 1.433(13) . ? C00Y C01C 1.389(14) . ? C00Z C013 1.394(12) . ? C010 C01J 1.472(13) . ? C010 C01U 1.434(13) . ? C011 H011 0.9500 . ? C011 C01A 1.382(13) . ? C012 H012 0.9500 . ? C012 C01B 1.401(14) . ? C012 C01G 1.411(13) . ? C013 H013 0.9500 . ? C014 H014 0.9500 . ? C014 C01C 1.355(13) . ? C014 C01D 1.369(13) . ? C015 H015 0.9500 . ? C015 C01F 1.409(13) . ? C016 H016 0.9500 . ? C016 C01L 1.391(13) . ? C017 H017 0.9500 . ? C017 C018 1.411(14) . ? C017 C01B 1.435(15) . ? C018 H018 0.9500 . ? C018 C01G 1.435(13) . ? C019 H019 0.9500 . ? C019 C01J 1.372(13) . ? C01A H01A 0.9500 . ? C01B H01B 0.9500 . ? C01C H01C 0.9500 . ? C01D C01M 1.381(14) . ? C01E H01E 0.9500 . ? C01F H01F 0.9500 . ? C01F C01J 1.386(13) . ? C01G H01G 0.9500 . ? C01H H01H 0.9500 . ? C01I H01I 0.9500 . ? C01I C01W 1.424(17) . ? C01I C01Y 1.396(16) . ? C01K H01K 0.9500 . ? C01K C01P 1.476(16) . ? C01K C01W 1.362(16) . ? C01L H01L 0.9500 . ? C01M H01M 0.9500 . ? C01N H01N 0.9500 . ? C01O H01O 0.9500 . ? C01P H01P 0.9500 . ? C01P C01Y 1.394(15) . ? C01Q H01Q 0.9500 . ? C01Q C01U 1.435(13) . ? C01R H01R 0.9500 . ? C01R C01V 1.484(17) . ? C01R C020 1.415(17) . ? C01S H01S 0.9500 . ? C01T H01T 0.9500 . ? C01T C01X 1.380(18) . ? C01T C020 1.429(17) . ? C01U H01U 0.9500 . ? C01V H01V 0.9500 . ? C01V C01X 1.433(17) . ? C01W H01W 0.9500 . ? C01X H01X 0.9500 . ? C01Y H01Y 0.9500 . ? C020 H020 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 C006 Fe01 C00F 41.4(3) . . ? C006 Fe01 C00G 41.3(3) . . ? C006 Fe01 C012 118.0(4) . . ? C006 Fe01 C016 69.0(3) . . ? C006 Fe01 C017 132.4(4) . . ? C006 Fe01 C018 170.2(4) . . ? C006 Fe01 C01B 110.8(4) . . ? C006 Fe01 C01G 148.4(4) . . ? C006 Fe01 C01L 68.5(3) . . ? C00F Fe01 C01B 135.6(4) . . ? C00G Fe01 C00F 69.9(3) . . ? C00G Fe01 C01B 114.0(4) . . ? C012 Fe01 C00F 112.5(4) . . ? C012 Fe01 C00G 147.1(4) . . ? C012 Fe01 C016 136.1(4) . . ? C012 Fe01 C017 68.1(4) . . ? C012 Fe01 C01B 40.0(4) . . ? C012 Fe01 C01G 40.5(4) . . ? C016 Fe01 C00F 41.6(3) . . ? C016 Fe01 C00G 68.8(4) . . ? C016 Fe01 C01B 175.8(4) . . ? C017 Fe01 C00F 173.7(4) . . ? C017 Fe01 C00G 106.0(4) . . ? C017 Fe01 C016 142.3(4) . . ? C017 Fe01 C01B 41.0(4) . . ? C017 Fe01 C01G 69.0(4) . . ? C018 Fe01 C00F 145.8(4) . . ? C018 Fe01 C00G 129.4(4) . . ? C018 Fe01 C012 68.1(4) . . ? C018 Fe01 C016 112.7(4) . . ? C018 Fe01 C017 40.5(4) . . ? C018 Fe01 C01B 68.3(4) . . ? C018 Fe01 C01G 41.2(4) . . ? C01G Fe01 C00F 115.8(4) . . ? C01G Fe01 C00G 169.8(4) . . ? C01G Fe01 C016 109.4(4) . . ? C01G Fe01 C01B 68.4(4) . . ? C01L Fe01 C00F 68.8(4) . . ? C01L Fe01 C00G 40.8(4) . . ? C01L Fe01 C012 172.0(4) . . ? C01L Fe01 C016 39.9(4) . . ? C01L Fe01 C017 111.5(4) . . ? C01L Fe01 C018 106.2(4) . . ? C01L Fe01 C01B 144.3(4) . . ? C01L Fe01 C01G 131.6(4) . . ? C00A Fe02 C00J 42.1(3) . . ? C00A Fe02 C00R 40.5(3) . . ? C00A Fe02 C00X 69.2(4) . . ? C00A Fe02 C01I 109.3(4) . . ? C00A Fe02 C01K 147.3(4) . . ? C00A Fe02 C01N 69.4(4) . . ? C00A Fe02 C01P 168.9(4) . . ? C00A Fe02 C01W 116.0(4) . . ? C00A Fe02 C01Y 130.8(4) . . ? C00J Fe02 C01I 115.7(4) . . ? C00J Fe02 C01W 148.3(4) . . ? C00R Fe02 C00J 69.7(3) . . ? C00R Fe02 C01I 131.9(5) . . ? C00R Fe02 C01N 69.6(3) . . ? C00R Fe02 C01W 108.9(4) . . ? C00X Fe02 C00J 69.3(4) . . ? C00X Fe02 C00R 41.6(3) . . ? C00X Fe02 C01I 171.4(5) . . ? C00X Fe02 C01N 41.1(4) . . ? C00X Fe02 C01W 131.7(5) . . ? C01I Fe02 C01W 40.6(5) . . ? C01K Fe02 C00J 170.4(4) . . ? C01K Fe02 C00R 116.5(4) . . ? C01K Fe02 C00X 110.0(4) . . ? C01K Fe02 C01I 66.4(5) . . ? C01K Fe02 C01N 132.7(5) . . ? C01K Fe02 C01W 38.9(5) . . ? C01N Fe02 C00J 40.8(4) . . ? C01N Fe02 C01I 147.1(5) . . ? C01N Fe02 C01W 170.5(5) . . ? C01P Fe02 C00J 128.6(4) . . ? C01P Fe02 C00R 149.3(4) . . ? C01P Fe02 C00X 115.6(4) . . ? C01P Fe02 C01I 67.6(5) . . ? C01P Fe02 C01K 42.5(5) . . ? C01P Fe02 C01N 107.0(4) . . ? C01P Fe02 C01W 69.2(5) . . ? C01Y Fe02 C00J 107.0(4) . . ? C01Y Fe02 C00R 169.8(4) . . ? C01Y Fe02 C00X 147.3(5) . . ? C01Y Fe02 C01I 40.0(5) . . ? C01Y Fe02 C01K 68.1(5) . . ? C01Y Fe02 C01N 114.6(4) . . ? C01Y Fe02 C01P 40.1(4) . . ? C01Y Fe02 C01W 68.5(5) . . ? C00C Fe03 C00Q 41.1(3) . . ? C00C Fe03 C010 40.7(3) . . ? C00C Fe03 C01Q 68.8(4) . . ? C00C Fe03 C01R 169.8(4) . . ? C00C Fe03 C01T 110.3(4) . . ? C00C Fe03 C01U 68.9(4) . . ? C00C Fe03 C01V 147.8(4) . . ? C00C Fe03 C01X 117.0(4) . . ? C00C Fe03 C020 132.3(4) . . ? C00Q Fe03 C01V 169.7(4) . . ? C00Q Fe03 C020 108.7(4) . . ? C010 Fe03 C00Q 68.5(4) . . ? C010 Fe03 C01V 115.5(4) . . ? C010 Fe03 C020 171.9(5) . . ? C01Q Fe03 C00Q 40.4(4) . . ? C01Q Fe03 C010 68.5(4) . . ? C01Q Fe03 C01R 107.1(4) . . ? C01Q Fe03 C01V 130.6(4) . . ? C01Q Fe03 C020 114.6(5) . . ? C01R Fe03 C00Q 129.9(4) . . ? C01R Fe03 C010 147.7(4) . . ? C01R Fe03 C01V 41.8(5) . . ? C01R Fe03 C020 39.9(5) . . ? C01T Fe03 C00Q 116.9(4) . . ? C01T Fe03 C010 133.2(5) . . ? C01T Fe03 C01Q 147.4(5) . . ? C01T Fe03 C01R 67.8(5) . . ? C01T Fe03 C01U 171.3(5) . . ? C01T Fe03 C01V 68.1(5) . . ? C01T Fe03 C020 40.6(5) . . ? C01U Fe03 C00Q 68.6(4) . . ? C01U Fe03 C010 40.8(4) . . ? C01U Fe03 C01Q 41.0(4) . . ? C01U Fe03 C01R 114.6(4) . . ? C01U Fe03 C01V 107.7(4) . . ? C01U Fe03 C020 146.2(5) . . ? C01X Fe03 C00Q 148.6(5) . . ? C01X Fe03 C010 110.5(5) . . ? C01X Fe03 C01Q 170.7(5) . . ? C01X Fe03 C01R 68.4(5) . . ? C01X Fe03 C01T 39.7(5) . . ? C01X Fe03 C01U 132.4(6) . . ? C01X Fe03 C01V 40.7(5) . . ? C01X Fe03 C020 67.7(5) . . ? C020 Fe03 C01V 68.7(5) . . ? Fe01 C006 H006 126.0 . . ? C00F C006 Fe01 70.2(5) . . ? C00F C006 H006 125.4 . . ? C00G C006 Fe01 70.1(5) . . ? C00G C006 H006 125.4 . . ? C00G C006 C00F 109.3(8) . . ? C008 C007 C00D 122.2(8) . . ? C01S C007 C008 117.4(9) . . ? C01S C007 C00D 119.2(8) . . ? C007 C008 H008 119.9 . . ? C007 C008 C01H 120.3(8) . . ? C01H C008 H008 119.9 . . ? C00E C009 C00R 118.0(8) . . ? C011 C009 C00E 118.7(8) . . ? C011 C009 C00R 122.0(8) . . ? Fe02 C00A H00A 126.3 . . ? C00J C00A Fe02 69.4(5) . . ? C00J C00A H00A 125.6 . . ? C00R C00A Fe02 70.1(5) . . ? C00R C00A H00A 125.6 . . ? C00R C00A C00J 108.7(8) . . ? C00I C00B C00J 121.8(9) . . ? C00P C00B C00I 118.5(9) . . ? C00P C00B C00J 118.6(8) . . ? Fe03 C00C H00C 123.3 . . ? C00Q C00C Fe03 71.3(5) . . ? C00Q C00C H00C 125.5 . . ? C010 C00C Fe03 71.6(5) . . ? C010 C00C H00C 125.5 . . ? C010 C00C C00Q 109.1(8) . . ? C00O C00D C007 119.3(7) . . ? C01O C00D C007 123.7(8) . . ? C01O C00D C00O 116.0(9) . . ? C009 C00E H00E 119.8 . . ? C009 C00E C00M 120.4(8) . . ? C00M C00E H00E 119.8 . . ? C006 C00F Fe01 68.4(5) . . ? C006 C00F C00L 119.9(8) . . ? C006 C00F C016 105.7(8) . . ? C00L C00F Fe01 136.8(6) . . ? C016 C00F Fe01 69.0(5) . . ? C016 C00F C00L 133.0(8) . . ? C006 C00G Fe01 68.6(5) . . ? C006 C00G C00Z 119.8(8) . . ? C00Z C00G Fe01 133.9(6) . . ? C01L C00G Fe01 69.1(5) . . ? C01L C00G C006 106.1(7) . . ? C01L C00G C00Z 133.4(8) . . ? C00M C00H C00Y 120.5(8) . . ? C00M C00H C01A 116.9(8) . . ? C01A C00H C00Y 121.5(8) . . ? C00B C00I H00I 119.8 . . ? C01O C00I C00B 120.3(9) . . ? C01O C00I H00I 119.8 . . ? C00A C00J Fe02 68.5(5) . . ? C00A C00J C00B 119.0(7) . . ? C00B C00J Fe02 133.9(6) . . ? C01N C00J Fe02 69.6(5) . . ? C01N C00J C00A 107.0(8) . . ? C01N C00J C00B 133.3(8) . . ? C00Y C00K H00K 120.0 . . ? C00Y C00K C01M 120.0(9) . . ? C01M C00K H00K 120.0 . . ? C00S C00L C00F 120.0(8) . . ? C00S C00L C01H 117.4(8) . . ? C01H C00L C00F 121.6(8) . . ? C00E C00M H00M 119.7 . . ? C00H C00M C00E 120.7(8) . . ? C00H C00M H00M 119.7 . . ? C00W C00N H00N 119.6 . . ? C013 C00N H00N 119.6 . . ? C013 C00N C00W 120.9(9) . . ? C00D C00O H00O 119.4 . . ? C00D C00O C00P 121.2(9) . . ? C00P C00O H00O 119.4 . . ? C00B C00P C00O 120.1(9) . . ? C00B C00P H00P 119.9 . . ? C00O C00P H00P 119.9 . . ? C00C C00Q Fe03 67.6(5) . . ? C00C C00Q C01D 119.3(8) . . ? C01D C00Q Fe03 136.2(7) . . ? C01Q C00Q Fe03 69.1(5) . . ? C01Q C00Q C00C 107.0(8) . . ? C01Q C00Q C01D 132.8(8) . . ? C009 C00R Fe02 138.4(6) . . ? C00A C00R Fe02 69.3(5) . . ? C00A C00R C009 120.3(8) . . ? C00A C00R C00X 107.7(8) . . ? C00X C00R Fe02 69.2(5) . . ? C00X C00R C009 130.3(8) . . ? C00L C00S H00S 119.4 . . ? C01S C00S C00L 121.2(8) . . ? C01S C00S H00S 119.4 . . ? C00U C00T H00T 118.8 . . ? C019 C00T H00T 118.8 . . ? C019 C00T C00U 122.3(9) . . ? C00T C00U C00W 121.6(8) . . ? C00T C00U C015 117.3(9) . . ? C015 C00U C00W 120.1(8) . . ? C00Z C00V H00V 119.7 . . ? C01E C00V H00V 119.7 . . ? C01E C00V C00Z 120.7(9) . . ? C00N C00W C00U 117.0(9) . . ? C01E C00W C00N 116.9(9) . . ? C01E C00W C00U 125.0(9) . . ? Fe02 C00X H00X 126.8 . . ? C00R C00X Fe02 69.2(5) . . ? C00R C00X H00X 126.1 . . ? C01N C00X Fe02 69.5(5) . . ? C01N C00X C00R 107.8(8) . . ? C01N C00X H00X 126.1 . . ? C00K C00Y C00H 120.4(9) . . ? C00K C00Y C01C 116.9(9) . . ? C01C C00Y C00H 122.0(8) . . ? C00V C00Z C00G 122.8(8) . . ? C013 C00Z C00G 119.6(8) . . ? C013 C00Z C00V 116.6(9) . . ? C00C C010 Fe03 67.8(5) . . ? C00C C010 C01J 120.7(8) . . ? C00C C010 C01U 107.1(9) . . ? C01J C010 Fe03 136.1(6) . . ? C01U C010 Fe03 68.4(6) . . ? C01U C010 C01J 131.5(9) . . ? C009 C011 H011 120.0 . . ? C009 C011 C01A 120.1(8) . . ? C01A C011 H011 120.0 . . ? Fe01 C012 H012 125.6 . . ? C01B C012 Fe01 71.0(6) . . ? C01B C012 H012 124.9 . . ? C01B C012 C01G 110.3(9) . . ? C01G C012 Fe01 70.1(6) . . ? C01G C012 H012 124.9 . . ? C00N C013 C00Z 121.4(8) . . ? C00N C013 H013 119.3 . . ? C00Z C013 H013 119.3 . . ? C01C C014 H014 119.1 . . ? C01C C014 C01D 121.7(10) . . ? C01D C014 H014 119.1 . . ? C00U C015 H015 119.9 . . ? C00U C015 C01F 120.3(9) . . ? C01F C015 H015 119.9 . . ? Fe01 C016 H016 126.8 . . ? C00F C016 Fe01 69.4(5) . . ? C00F C016 H016 125.8 . . ? C01L C016 Fe01 69.6(5) . . ? C01L C016 C00F 108.5(8) . . ? C01L C016 H016 125.8 . . ? Fe01 C017 H017 125.6 . . ? C018 C017 Fe01 69.5(5) . . ? C018 C017 H017 126.1 . . ? C018 C017 C01B 107.7(9) . . ? C01B C017 Fe01 70.3(5) . . ? C01B C017 H017 126.1 . . ? Fe01 C018 H018 126.2 . . ? C017 C018 Fe01 69.9(6) . . ? C017 C018 H018 125.7 . . ? C017 C018 C01G 108.7(9) . . ? C01G C018 Fe01 69.8(5) . . ? C01G C018 H018 125.7 . . ? C00T C019 H019 119.9 . . ? C00T C019 C01J 120.3(10) . . ? C01J C019 H019 119.9 . . ? C00H C01A H01A 119.1 . . ? C011 C01A C00H 121.8(9) . . ? C011 C01A H01A 119.1 . . ? Fe01 C01B H01B 127.4 . . ? C012 C01B Fe01 69.0(6) . . ? C012 C01B C017 107.1(9) . . ? C012 C01B H01B 126.5 . . ? C017 C01B Fe01 68.7(6) . . ? C017 C01B H01B 126.5 . . ? C00Y C01C H01C 118.9 . . ? C014 C01C C00Y 122.2(10) . . ? C014 C01C H01C 118.9 . . ? C014 C01D C00Q 121.5(9) . . ? C014 C01D C01M 117.6(9) . . ? C01M C01D C00Q 119.7(8) . . ? C00V C01E H01E 118.9 . . ? C00W C01E C00V 122.3(9) . . ? C00W C01E H01E 118.9 . . ? C015 C01F H01F 120.2 . . ? C01J C01F C015 119.7(9) . . ? C01J C01F H01F 120.2 . . ? Fe01 C01G H01G 126.3 . . ? C012 C01G Fe01 69.4(6) . . ? C012 C01G C018 106.2(8) . . ? C012 C01G H01G 126.9 . . ? C018 C01G Fe01 69.0(5) . . ? C018 C01G H01G 126.9 . . ? C008 C01H H01H 119.5 . . ? C00L C01H C008 120.9(8) . . ? C00L C01H H01H 119.5 . . ? Fe02 C01I H01I 127.3 . . ? C01W C01I Fe02 69.7(6) . . ? C01W C01I H01I 125.4 . . ? C01Y C01I Fe02 69.2(6) . . ? C01Y C01I H01I 125.4 . . ? C01Y C01I C01W 109.2(11) . . ? C019 C01J C010 120.0(9) . . ? C019 C01J C01F 119.1(10) . . ? C01F C01J C010 119.1(8) . . ? Fe02 C01K H01K 126.6 . . ? C01P C01K Fe02 68.7(6) . . ? C01P C01K H01K 125.2 . . ? C01W C01K Fe02 71.1(6) . . ? C01W C01K H01K 125.2 . . ? C01W C01K C01P 109.6(11) . . ? Fe01 C01L H01L 126.2 . . ? C00G C01L Fe01 70.1(5) . . ? C00G C01L H01L 124.8 . . ? C016 C01L Fe01 70.5(5) . . ? C016 C01L C00G 110.4(8) . . ? C016 C01L H01L 124.8 . . ? C00K C01M H01M 119.8 . . ? C01D C01M C00K 120.5(9) . . ? C01D C01M H01M 119.8 . . ? Fe02 C01N H01N 126.9 . . ? C00J C01N Fe02 69.7(5) . . ? C00J C01N C00X 108.8(8) . . ? C00J C01N H01N 125.6 . . ? C00X C01N Fe02 69.4(5) . . ? C00X C01N H01N 125.6 . . ? C00D C01O H01O 118.8 . . ? C00I C01O C00D 122.5(9) . . ? C00I C01O H01O 118.8 . . ? Fe02 C01P H01P 125.5 . . ? C01K C01P Fe02 68.8(6) . . ? C01K C01P H01P 127.4 . . ? C01Y C01P Fe02 69.8(6) . . ? C01Y C01P C01K 105.1(11) . . ? C01Y C01P H01P 127.4 . . ? Fe03 C01Q H01Q 126.3 . . ? C00Q C01Q Fe03 70.5(5) . . ? C00Q C01Q H01Q 125.9 . . ? C00Q C01Q C01U 108.2(8) . . ? C01U C01Q Fe03 68.9(5) . . ? C01U C01Q H01Q 125.9 . . ? Fe03 C01R H01R 125.5 . . ? C01V C01R Fe03 69.8(6) . . ? C01V C01R H01R 125.7 . . ? C020 C01R Fe03 70.5(6) . . ? C020 C01R H01R 125.7 . . ? C020 C01R C01V 108.5(11) . . ? C007 C01S H01S 119.1 . . ? C00S C01S C007 121.8(9) . . ? C00S C01S H01S 119.1 . . ? Fe03 C01T H01T 125.0 . . ? C01X C01T Fe03 69.8(6) . . ? C01X C01T H01T 125.4 . . ? C01X C01T C020 109.2(11) . . ? C020 C01T Fe03 71.3(6) . . ? C020 C01T H01T 125.4 . . ? Fe03 C01U H01U 124.8 . . ? C010 C01U Fe03 70.9(5) . . ? C010 C01U C01Q 108.4(9) . . ? C010 C01U H01U 125.8 . . ? C01Q C01U Fe03 70.1(6) . . ? C01Q C01U H01U 125.8 . . ? Fe03 C01V H01V 127.9 . . ? C01R C01V Fe03 68.4(6) . . ? C01R C01V H01V 127.8 . . ? C01X C01V Fe03 67.4(6) . . ? C01X C01V C01R 104.4(11) . . ? C01X C01V H01V 127.8 . . ? Fe02 C01W H01W 125.4 . . ? C01I C01W Fe02 69.7(6) . . ? C01I C01W H01W 126.5 . . ? C01K C01W Fe02 70.0(7) . . ? C01K C01W C01I 106.9(11) . . ? C01K C01W H01W 126.5 . . ? Fe03 C01X H01X 124.4 . . ? C01T C01X Fe03 70.5(6) . . ? C01T C01X C01V 110.5(12) . . ? C01T C01X H01X 124.7 . . ? C01V C01X Fe03 71.9(6) . . ? C01V C01X H01X 124.7 . . ? Fe02 C01Y H01Y 125.2 . . ? C01I C01Y Fe02 70.8(6) . . ? C01I C01Y H01Y 125.5 . . ? C01P C01Y Fe02 70.1(6) . . ? C01P C01Y C01I 109.1(11) . . ? C01P C01Y H01Y 125.5 . . ? Fe03 C020 H020 127.5 . . ? C01R C020 Fe03 69.6(6) . . ? C01R C020 C01T 107.3(11) . . ? C01R C020 H020 126.3 . . ? C01T C020 Fe03 68.1(6) . . ? C01T C020 H020 126.3 . . ? 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 Fe01 C006 C00F C00L 132.5(8) . . . . ? Fe01 C006 C00F C016 -59.3(6) . . . . ? Fe01 C006 C00G C00Z -129.3(8) . . . . ? Fe01 C006 C00G C01L 59.2(6) . . . . ? Fe01 C00F C00L C00S 39.7(13) . . . . ? Fe01 C00F C00L C01H -152.5(8) . . . . ? Fe01 C00F C016 C01L -58.8(6) . . . . ? Fe01 C00G C00Z C00V 141.7(8) . . . . ? Fe01 C00G C00Z C013 -50.4(13) . . . . ? Fe01 C00G C01L C016 59.2(7) . . . . ? Fe01 C012 C01B C017 -58.3(6) . . . . ? Fe01 C012 C01G C018 59.5(6) . . . . ? Fe01 C016 C01L C00G -58.9(6) . . . . ? Fe01 C017 C018 C01G -59.2(7) . . . . ? Fe01 C017 C01B C012 58.5(6) . . . . ? Fe01 C018 C01G C012 -59.7(7) . . . . ? Fe02 C00A C00J C00B 129.4(8) . . . . ? Fe02 C00A C00J C01N -59.2(6) . . . . ? Fe02 C00A C00R C009 -134.9(8) . . . . ? Fe02 C00A C00R C00X 58.7(6) . . . . ? Fe02 C00J C01N C00X -58.5(6) . . . . ? Fe02 C00R C00X C01N 59.0(6) . . . . ? Fe02 C00X C01N C00J 58.7(6) . . . . ? Fe02 C01I C01W C01K -60.3(8) . . . . ? Fe02 C01I C01Y C01P 59.9(7) . . . . ? Fe02 C01K C01P C01Y -60.8(7) . . . . ? Fe02 C01K C01W C01I 60.2(7) . . . . ? Fe02 C01P C01Y C01I -60.3(7) . . . . ? Fe03 C00C C00Q C01D 131.6(8) . . . . ? Fe03 C00C C00Q C01Q -58.0(6) . . . . ? Fe03 C00C C010 C01J -131.5(8) . . . . ? Fe03 C00C C010 C01U 57.2(6) . . . . ? Fe03 C00Q C01D C014 -152.3(8) . . . . ? Fe03 C00Q C01D C01M 40.8(13) . . . . ? Fe03 C00Q C01Q C01U -58.7(7) . . . . ? Fe03 C010 C01J C019 142.3(8) . . . . ? Fe03 C010 C01J C01F -53.0(13) . . . . ? Fe03 C010 C01U C01Q 60.4(7) . . . . ? Fe03 C01Q C01U C010 -60.8(6) . . . . ? Fe03 C01R C01V C01X 58.1(7) . . . . ? Fe03 C01R C020 C01T -57.8(7) . . . . ? Fe03 C01T C01X C01V -61.1(8) . . . . ? Fe03 C01T C020 C01R 58.8(7) . . . . ? Fe03 C01V C01X C01T 60.2(8) . . . . ? C006 C00F C00L C00S -49.8(12) . . . . ? C006 C00F C00L C01H 118.0(9) . . . . ? C006 C00F C016 Fe01 58.9(6) . . . . ? C006 C00F C016 C01L 0.1(10) . . . . ? C006 C00G C00Z C00V -130.2(9) . . . . ? C006 C00G C00Z C013 37.8(12) . . . . ? C006 C00G C01L Fe01 -58.9(6) . . . . ? C006 C00G C01L C016 0.3(10) . . . . ? C007 C008 C01H C00L -3.7(13) . . . . ? C007 C00D C00O C00P -159.5(9) . . . . ? C007 C00D C01O C00I 158.7(9) . . . . ? C008 C007 C00D C00O -26.3(12) . . . . ? C008 C007 C00D C01O 166.1(8) . . . . ? C008 C007 C01S C00S 8.3(13) . . . . ? C009 C00E C00M C00H -1.2(14) . . . . ? C009 C00R C00X Fe02 136.6(9) . . . . ? C009 C00R C00X C01N -164.4(9) . . . . ? C009 C011 C01A C00H 1.0(13) . . . . ? C00A C00J C01N Fe02 58.5(6) . . . . ? C00A C00J C01N C00X -0.1(10) . . . . ? C00A C00R C00X Fe02 -58.8(6) . . . . ? C00A C00R C00X C01N 0.2(10) . . . . ? C00B C00I C01O C00D -0.1(15) . . . . ? C00B C00J C01N Fe02 -131.8(10) . . . . ? C00B C00J C01N C00X 169.7(9) . . . . ? C00C C00Q C01D C014 120.4(9) . . . . ? C00C C00Q C01D C01M -46.4(12) . . . . ? C00C C00Q C01Q Fe03 57.0(6) . . . . ? C00C C00Q C01Q C01U -1.7(10) . . . . ? C00C C010 C01J C019 -128.7(9) . . . . ? C00C C010 C01J C01F 36.0(12) . . . . ? C00C C010 C01U Fe03 -56.8(6) . . . . ? C00C C010 C01U C01Q 3.5(10) . . . . ? C00D C007 C008 C01H 161.9(8) . . . . ? C00D C007 C01S C00S -159.4(8) . . . . ? C00D C00O C00P C00B 0.5(14) . . . . ? C00E C009 C00R Fe02 -61.5(13) . . . . ? C00E C009 C00R C00A 30.9(12) . . . . ? C00E C009 C00R C00X -166.2(9) . . . . ? C00E C009 C011 C01A -10.7(13) . . . . ? C00F C006 C00G Fe01 -59.4(6) . . . . ? C00F C006 C00G C00Z 171.3(8) . . . . ? C00F C006 C00G C01L -0.2(9) . . . . ? C00F C00L C00S C01S 160.8(9) . . . . ? C00F C00L C01H C008 -157.9(8) . . . . ? C00F C016 C01L Fe01 58.6(6) . . . . ? C00F C016 C01L C00G -0.3(11) . . . . ? C00G C006 C00F Fe01 59.3(6) . . . . ? C00G C006 C00F C00L -168.1(7) . . . . ? C00G C006 C00F C016 0.1(9) . . . . ? C00G C00Z C013 C00N -158.2(8) . . . . ? C00H C00Y C01C C014 162.3(9) . . . . ? C00I C00B C00J Fe02 -138.7(8) . . . . ? C00I C00B C00J C00A 134.0(9) . . . . ? C00I C00B C00J C01N -34.8(15) . . . . ? C00I C00B C00P C00O -10.2(13) . . . . ? C00J C00A C00R Fe02 -58.9(6) . . . . ? C00J C00A C00R C009 166.2(7) . . . . ? C00J C00A C00R C00X -0.2(9) . . . . ? C00J C00B C00I C01O -157.9(9) . . . . ? C00J C00B C00P C00O 158.3(8) . . . . ? C00K C00Y C01C C014 -7.7(14) . . . . ? C00L C00F C016 Fe01 -135.2(10) . . . . ? C00L C00F C016 C01L 166.1(9) . . . . ? C00L C00S C01S C007 -1.8(14) . . . . ? C00M C00H C00Y C00K 19.7(13) . . . . ? C00M C00H C00Y C01C -149.9(9) . . . . ? C00M C00H C01A C011 8.5(12) . . . . ? C00N C00W C01E C00V 6.5(14) . . . . ? C00O C00D C01O C00I -9.3(14) . . . . ? C00P C00B C00I C01O 10.1(14) . . . . ? C00P C00B C00J Fe02 53.3(12) . . . . ? C00P C00B C00J C00A -34.0(11) . . . . ? C00P C00B C00J C01N 157.2(9) . . . . ? C00Q C00C C010 Fe03 -61.8(6) . . . . ? C00Q C00C C010 C01J 166.7(7) . . . . ? C00Q C00C C010 C01U -4.6(10) . . . . ? C00Q C01D C01M C00K 160.3(9) . . . . ? C00Q C01Q C01U Fe03 59.7(6) . . . . ? C00Q C01Q C01U C010 -1.1(11) . . . . ? C00R C009 C00E C00M -156.8(9) . . . . ? C00R C009 C011 C01A 156.5(8) . . . . ? C00R C00A C00J Fe02 59.3(6) . . . . ? C00R C00A C00J C00B -171.3(8) . . . . ? C00R C00A C00J C01N 0.2(9) . . . . ? C00R C00X C01N Fe02 -58.8(6) . . . . ? C00R C00X C01N C00J -0.1(10) . . . . ? C00S C00L C01H C008 10.2(13) . . . . ? C00T C00U C00W C00N 37.3(12) . . . . ? C00T C00U C00W C01E -155.4(9) . . . . ? C00T C00U C015 C01F -8.7(12) . . . . ? C00T C019 C01J C010 157.1(9) . . . . ? C00T C019 C01J C01F -7.6(13) . . . . ? C00U C00T C019 C01J -0.6(14) . . . . ? C00U C00W C01E C00V -160.8(8) . . . . ? C00U C015 C01F C01J 0.9(13) . . . . ? C00V C00Z C013 C00N 10.4(13) . . . . ? C00W C00N C013 C00Z -1.2(13) . . . . ? C00W C00U C015 C01F 160.7(8) . . . . ? C00Y C00H C00M C00E 159.9(8) . . . . ? C00Y C00H C01A C011 -159.6(8) . . . . ? C00Y C00K C01M C01D -2.4(14) . . . . ? C00Z C00G C01L Fe01 131.3(10) . . . . ? C00Z C00G C01L C016 -169.6(9) . . . . ? C00Z C00V C01E C00W 2.9(14) . . . . ? C010 C00C C00Q Fe03 61.9(6) . . . . ? C010 C00C C00Q C01D -166.5(8) . . . . ? C010 C00C C00Q C01Q 3.9(10) . . . . ? C011 C009 C00E C00M 10.8(13) . . . . ? C011 C009 C00R Fe02 131.3(9) . . . . ? C011 C009 C00R C00A -136.4(9) . . . . ? C011 C009 C00R C00X 26.6(14) . . . . ? C013 C00N C00W C00U 160.9(8) . . . . ? C013 C00N C00W C01E -7.4(13) . . . . ? C014 C01D C01M C00K -7.1(14) . . . . ? C015 C00U C00W C00N -131.7(9) . . . . ? C015 C00U C00W C01E 35.6(13) . . . . ? C015 C01F C01J C010 -157.4(8) . . . . ? C015 C01F C01J C019 7.4(13) . . . . ? C016 C00F C00L C00S 145.9(10) . . . . ? C016 C00F C00L C01H -46.3(14) . . . . ? C017 C018 C01G Fe01 59.3(7) . . . . ? C017 C018 C01G C012 -0.4(11) . . . . ? C018 C017 C01B Fe01 -59.7(7) . . . . ? C018 C017 C01B C012 -1.2(11) . . . . ? C019 C00T C00U C00W -160.6(8) . . . . ? C019 C00T C00U C015 8.7(13) . . . . ? C01A C00H C00M C00E -8.2(13) . . . . ? C01A C00H C00Y C00K -172.7(8) . . . . ? C01A C00H C00Y C01C 17.7(13) . . . . ? C01B C012 C01G Fe01 -59.8(7) . . . . ? C01B C012 C01G C018 -0.4(11) . . . . ? C01B C017 C018 Fe01 60.2(6) . . . . ? C01B C017 C018 C01G 1.0(11) . . . . ? C01C C014 C01D C00Q -157.9(9) . . . . ? C01C C014 C01D C01M 9.2(14) . . . . ? C01D C00Q C01Q Fe03 -134.4(10) . . . . ? C01D C00Q C01Q C01U 166.9(9) . . . . ? C01D C014 C01C C00Y -1.9(15) . . . . ? C01E C00V C00Z C00G 157.0(9) . . . . ? C01E C00V C00Z C013 -11.3(13) . . . . ? C01G C012 C01B Fe01 59.3(7) . . . . ? C01G C012 C01B C017 1.0(11) . . . . ? C01H C00L C00S C01S -7.5(13) . . . . ? C01J C010 C01U Fe03 133.2(10) . . . . ? C01J C010 C01U C01Q -166.4(9) . . . . ? C01K C01P C01Y Fe02 60.1(7) . . . . ? C01K C01P C01Y C01I -0.2(11) . . . . ? C01L C00G C00Z C00V 38.6(15) . . . . ? C01L C00G C00Z C013 -153.5(10) . . . . ? C01M C00K C00Y C00H -160.6(8) . . . . ? C01M C00K C00Y C01C 9.5(13) . . . . ? C01O C00D C00O C00P 9.1(13) . . . . ? C01P C01K C01W Fe02 -58.0(7) . . . . ? C01P C01K C01W C01I 2.2(12) . . . . ? C01Q C00Q C01D C014 -47.0(14) . . . . ? C01Q C00Q C01D C01M 146.1(10) . . . . ? C01R C01V C01X Fe03 -58.7(7) . . . . ? C01R C01V C01X C01T 1.5(12) . . . . ? C01S C007 C008 C01H -5.5(13) . . . . ? C01S C007 C00D C00O 140.8(9) . . . . ? C01S C007 C00D C01O -26.8(12) . . . . ? C01U C010 C01J C019 40.2(14) . . . . ? C01U C010 C01J C01F -155.1(9) . . . . ? C01V C01R C020 Fe03 59.7(7) . . . . ? C01V C01R C020 C01T 1.9(11) . . . . ? C01W C01I C01Y Fe02 -58.4(8) . . . . ? C01W C01I C01Y C01P 1.5(12) . . . . ? C01W C01K C01P Fe02 59.5(8) . . . . ? C01W C01K C01P C01Y -1.3(12) . . . . ? C01X C01T C020 Fe03 -59.8(7) . . . . ? C01X C01T C020 C01R -1.0(11) . . . . ? C01Y C01I C01W Fe02 58.0(7) . . . . ? C01Y C01I C01W C01K -2.3(12) . . . . ? C020 C01R C01V Fe03 -60.1(7) . . . . ? C020 C01R C01V C01X -2.1(11) . . . . ? C020 C01T C01X Fe03 60.7(7) . . . . ? C020 C01T C01X C01V -0.3(12) . . . . ? _shelx_res_file ; TITL 0217-1_auto_a.res in P2(1)2(1)2(1) 0217-1_auto_sq.res created by SHELXL-2018/3 at 12:23:20 on 27-Feb-2023 REM Old TITL REM SHELXT solution in P2(1)2(1)2(1): R1 0.140, Rweak 0.066, Alpha 0.005 REM 1.058 for 33 systematic absences, Orientation as input REM Flack x = 0.144 ( 0.005 ) from 2409 Parsons' quotients REM Formula found by SHELXT: C68 Cl Fe3 CELL 1.3405 11.8673 13.7758 31.256 90 90 90 ZERR 4 0.0006 0.0007 0.0019 0 0 0 LATT -1 SYMM 0.5-X,-Y,0.5+Z SYMM -X,0.5+Y,0.5-Z SYMM 0.5+X,0.5-Y,-Z SFAC C H Fe DISP C 0.0137 0.0067 57.1 DISP FE -0.2673 2.555 19450.3 DISP H 0 0 0.6 UNIT 264 192 12 L.S. 5 0 50 PLAN 7 SIZE 0.15 0.11 0.06 TEMP -169 CONF BOND MORE -1 BOND $H ABIN fmap 2 acta TWIN -1 0 0 0 -1 0 0 0 -1 2 REM REM REM WGHT 0.105000 BASF 0.04594 FVAR 0.22978 FE01 3 1.068866 0.534752 0.730327 11.00000 0.04439 0.03157 = 0.02687 -0.00147 -0.00172 -0.00433 FE02 3 1.043128 0.743328 0.334377 11.00000 0.04311 0.03593 = 0.03138 0.00959 0.00516 -0.00242 FE03 3 0.382409 0.085372 0.484917 11.00000 0.02424 0.03119 = 0.05022 0.00038 -0.00153 -0.00598 C006 1 0.979750 0.536117 0.675004 11.00000 0.02773 0.02949 = 0.03446 0.00551 0.00001 0.00474 AFIX 43 H006 2 0.994144 0.497133 0.650535 11.00000 -1.20000 AFIX 0 C007 1 1.152365 0.749690 0.567085 11.00000 0.02568 0.03962 = 0.04044 0.00342 -0.00171 -0.01031 C008 1 1.077829 0.803281 0.591956 11.00000 0.04994 0.02300 = 0.04026 -0.00257 -0.00178 -0.01101 AFIX 43 H008 2 1.047255 0.862132 0.581175 11.00000 -1.20000 AFIX 0 C009 1 0.899709 0.536860 0.333360 11.00000 0.02988 0.04459 = 0.02548 -0.00468 0.00266 -0.00033 C00A 1 0.999446 0.653065 0.382950 11.00000 0.03670 0.02894 = 0.02830 0.00299 -0.00056 -0.00536 AFIX 43 H00A 2 0.937612 0.661117 0.401924 11.00000 -1.20000 AFIX 0 C00B 1 1.141854 0.735365 0.431283 11.00000 0.04208 0.02798 = 0.03474 0.00661 0.00725 -0.00678 C00C 1 0.520449 0.169379 0.493759 11.00000 0.02866 0.02681 = 0.04203 0.00296 -0.00521 -0.00828 AFIX 43 H00C 2 0.517006 0.237767 0.497446 11.00000 -1.20000 AFIX 0 C00D 1 1.161958 0.763625 0.520144 11.00000 0.02923 0.03033 = 0.03797 0.00827 0.00423 -0.00691 C00E 1 0.796248 0.560113 0.349543 11.00000 0.04601 0.02931 = 0.05240 -0.00121 -0.00016 0.00758 AFIX 43 H00E 2 0.780252 0.625287 0.357406 11.00000 -1.20000 AFIX 0 C00F 1 1.027004 0.630898 0.682846 11.00000 0.03943 0.03284 = 0.03612 -0.00110 -0.00227 0.00704 C00G 1 0.907454 0.509922 0.710034 11.00000 0.05076 0.03277 = 0.02302 0.00281 0.00087 0.00061 C00H 1 0.733689 0.394374 0.342822 11.00000 0.03668 0.03839 = 0.02635 0.00052 -0.00844 -0.01014 C00I 1 1.240987 0.713205 0.452417 11.00000 0.03566 0.05383 = 0.05255 -0.00129 0.00382 0.00134 AFIX 43 H00I 2 1.303302 0.688180 0.436849 11.00000 -1.20000 AFIX 0 C00J 1 1.113012 0.691263 0.389515 11.00000 0.03044 0.02918 = 0.04457 0.00016 0.01253 0.00294 C00K 1 0.559768 0.331596 0.378111 11.00000 0.04213 0.05075 = 0.04313 0.00927 -0.00932 -0.01061 AFIX 43 H00K 2 0.521372 0.390201 0.371471 11.00000 -1.20000 AFIX 0 C00L 1 1.086044 0.682486 0.648282 11.00000 0.04339 0.02643 = 0.03248 0.00399 -0.00608 -0.00631 C00M 1 0.713059 0.487966 0.354647 11.00000 0.03290 0.04769 = 0.04320 -0.00889 0.00524 -0.00430 AFIX 43 H00M 2 0.641902 0.504739 0.366446 11.00000 -1.20000 AFIX 0 C00N 1 0.807647 0.270429 0.670472 11.00000 0.03551 0.03396 = 0.03864 0.00296 0.00108 -0.00091 AFIX 43 H00N 2 0.838562 0.215348 0.656448 11.00000 -1.20000 AFIX 0 C00O 1 1.069236 0.799222 0.497297 11.00000 0.04262 0.04467 = 0.04198 -0.00379 0.01183 0.00414 AFIX 43 H00O 2 1.011655 0.833454 0.512070 11.00000 -1.20000 AFIX 0 C00P 1 1.059889 0.785239 0.453027 11.00000 0.03757 0.03848 = 0.04270 0.00788 -0.00042 -0.00092 AFIX 43 H00P 2 0.996630 0.810367 0.438051 11.00000 -1.20000 AFIX 0 C00Q 1 0.531026 0.119816 0.453386 11.00000 0.03444 0.04372 = 0.04238 -0.00739 -0.00454 0.00142 C00R 1 0.996814 0.602264 0.343783 11.00000 0.03754 0.02954 = 0.03474 0.00235 -0.00166 0.00534 C00S 1 1.168618 0.635662 0.625024 11.00000 0.05120 0.03023 = 0.03261 0.00688 -0.00242 0.00546 AFIX 43 H00S 2 1.203069 0.579088 0.636469 11.00000 -1.20000 AFIX 0 C00T 1 0.649285 0.126990 0.633273 11.00000 0.03535 0.03017 = 0.05048 0.00970 -0.01044 -0.00858 AFIX 43 H00T 2 0.701841 0.092974 0.650619 11.00000 -1.20000 AFIX 0 C00U 1 0.618703 0.219847 0.644767 11.00000 0.03203 0.04035 = 0.03359 0.02149 -0.00080 -0.01166 C00V 1 0.720364 0.424655 0.716348 11.00000 0.03444 0.03277 = 0.04693 0.01150 0.01155 0.00471 AFIX 43 H00V 2 0.690320 0.473615 0.734460 11.00000 -1.20000 AFIX 0 C00W 1 0.689187 0.279455 0.674404 11.00000 0.04532 0.03211 = 0.04491 0.01554 0.00179 -0.00534 C00X 1 1.108322 0.607978 0.325011 11.00000 0.04943 0.04181 = 0.03349 -0.00269 0.00818 -0.00037 AFIX 43 H00X 2 1.130944 0.580349 0.298520 11.00000 -1.20000 AFIX 0 C00Y 1 0.664213 0.313213 0.360528 11.00000 0.03842 0.04165 = 0.02732 -0.00273 -0.00214 -0.01497 C00Z 1 0.837466 0.423940 0.706976 11.00000 0.04279 0.03649 = 0.03838 0.00615 0.00827 0.01127 C010 1 0.515975 0.099356 0.527306 11.00000 0.03031 0.03799 = 0.05432 0.00706 0.00140 0.00179 C011 1 0.914854 0.447491 0.315742 11.00000 0.04082 0.04276 = 0.02919 0.00771 -0.00487 0.00363 AFIX 43 H011 2 0.981536 0.433733 0.300056 11.00000 -1.20000 AFIX 0 C012 1 1.233367 0.493708 0.727733 11.00000 0.04729 0.05669 = 0.02742 0.00323 0.00203 0.00320 AFIX 43 H012 2 1.282383 0.502828 0.704041 11.00000 -1.20000 AFIX 0 C013 1 0.879284 0.341135 0.686871 11.00000 0.02976 0.03884 = 0.03489 0.00483 0.00300 -0.00268 AFIX 43 H013 2 0.958464 0.332806 0.684312 11.00000 -1.20000 AFIX 0 C014 1 0.657758 0.154171 0.391996 11.00000 0.03465 0.03691 = 0.05599 -0.00887 0.00478 -0.01220 AFIX 43 H014 2 0.689505 0.091066 0.394221 11.00000 -1.20000 AFIX 0 C015 1 0.530437 0.262538 0.622282 11.00000 0.04089 0.03899 = 0.03524 0.00888 0.00576 -0.00448 AFIX 43 H015 2 0.499932 0.322589 0.631724 11.00000 -1.20000 AFIX 0 C016 1 0.981497 0.661882 0.723788 11.00000 0.06241 0.03885 = 0.02640 -0.01369 -0.00422 -0.00057 AFIX 43 H016 2 0.997056 0.721783 0.737641 11.00000 -1.20000 AFIX 0 C017 1 1.104219 0.427410 0.773198 11.00000 0.05460 0.04597 = 0.04331 0.01553 -0.01504 -0.01699 AFIX 43 H017 2 1.050805 0.384353 0.785542 11.00000 -1.20000 AFIX 0 C018 1 1.136647 0.518599 0.789659 11.00000 0.05824 0.04415 = 0.03660 0.01114 -0.00718 -0.00030 AFIX 43 H018 2 1.109404 0.547083 0.815334 11.00000 -1.20000 AFIX 0 C019 1 0.606700 0.082044 0.597796 11.00000 0.04607 0.04093 = 0.05644 0.01677 0.00060 -0.01333 AFIX 43 H019 2 0.630375 0.018117 0.590783 11.00000 -1.20000 AFIX 0 C01A 1 0.833354 0.376716 0.320639 11.00000 0.04677 0.04060 = 0.02883 -0.00334 -0.00565 0.00191 AFIX 43 H01A 2 0.845651 0.314340 0.308547 11.00000 -1.20000 AFIX 0 C01B 1 1.166400 0.411387 0.734467 11.00000 0.06685 0.02898 = 0.05395 0.00521 -0.02219 0.00841 AFIX 43 H01B 2 1.162824 0.355471 0.716730 11.00000 -1.20000 AFIX 0 C01C 1 0.707831 0.220534 0.366247 11.00000 0.04446 0.04553 = 0.04896 -0.00048 -0.00075 -0.01552 AFIX 43 H01C 2 0.775015 0.203091 0.351617 11.00000 -1.20000 AFIX 0 C01D 1 0.562639 0.175682 0.414880 11.00000 0.03289 0.03661 = 0.04663 -0.00650 -0.00363 -0.00706 C01E 1 0.649694 0.354837 0.699381 11.00000 0.03657 0.04910 = 0.04971 0.02084 0.00944 0.00690 AFIX 43 H01E 2 0.571207 0.358830 0.705098 11.00000 -1.20000 AFIX 0 C01F 1 0.486144 0.217085 0.585584 11.00000 0.03281 0.05195 = 0.04594 0.02403 -0.00620 0.00179 AFIX 43 H01F 2 0.426586 0.246762 0.570048 11.00000 -1.20000 AFIX 0 C01G 1 1.217594 0.561174 0.761188 11.00000 0.04191 0.04052 = 0.04672 -0.00309 0.00187 -0.00525 AFIX 43 H01G 2 1.253388 0.622467 0.764242 11.00000 -1.20000 AFIX 0 C01H 1 1.047638 0.770906 0.632812 11.00000 0.04776 0.03097 = 0.03671 -0.01189 0.00450 -0.00248 AFIX 43 H01H 2 1.000188 0.810005 0.650198 11.00000 -1.20000 AFIX 0 C01I 1 0.955481 0.871051 0.340103 11.00000 0.08820 0.05136 = 0.04938 0.00104 0.00618 0.02065 AFIX 43 H01I 2 0.912698 0.892426 0.364003 11.00000 -1.20000 AFIX 0 C01J 1 0.529892 0.128851 0.572258 11.00000 0.03471 0.02948 = 0.05555 0.01069 0.00185 -0.00763 C01K 1 0.999715 0.803551 0.277163 11.00000 0.09558 0.05740 = 0.03912 0.00783 -0.00419 -0.00170 AFIX 43 H01K 2 0.994669 0.771053 0.250424 11.00000 -1.20000 AFIX 0 C01L 1 0.911334 0.589067 0.739272 11.00000 0.03887 0.04310 = 0.03487 0.00289 0.00566 0.00214 AFIX 43 H01L 2 0.871612 0.591764 0.765634 11.00000 -1.20000 AFIX 0 C01M 1 0.509439 0.262652 0.406247 11.00000 0.02992 0.07105 = 0.04084 -0.00393 0.00397 0.00149 AFIX 43 H01M 2 0.438799 0.276638 0.419149 11.00000 -1.20000 AFIX 0 C01N 1 1.178338 0.662707 0.353518 11.00000 0.03723 0.02771 = 0.06278 0.00459 0.01437 0.00242 AFIX 43 H01N 2 1.255660 0.677480 0.349097 11.00000 -1.20000 AFIX 0 C01O 1 1.249769 0.727197 0.495779 11.00000 0.03958 0.04950 = 0.05111 0.00571 -0.00373 -0.00338 AFIX 43 H01O 2 1.318656 0.711295 0.509585 11.00000 -1.20000 AFIX 0 C01P 1 1.102736 0.848531 0.294662 11.00000 0.08217 0.04166 = 0.04897 0.01346 0.00137 -0.00403 AFIX 43 H01P 2 1.175601 0.849724 0.282086 11.00000 -1.20000 AFIX 0 C01Q 1 0.525149 0.018190 0.462115 11.00000 0.03632 0.03650 = 0.05047 -0.00242 0.00006 -0.00013 AFIX 43 H01Q 2 0.527831 -0.032295 0.441436 11.00000 -1.20000 AFIX 0 C01R 1 0.245924 0.004200 0.464469 11.00000 0.04136 0.04971 = 0.08460 0.00255 -0.00666 -0.03046 AFIX 43 H01R 2 0.249700 -0.059052 0.452445 11.00000 -1.20000 AFIX 0 C01S 1 1.201816 0.669227 0.585760 11.00000 0.03671 0.04559 = 0.04038 0.00399 0.00049 0.00072 AFIX 43 H01S 2 1.260389 0.636369 0.570944 11.00000 -1.20000 AFIX 0 C01T 1 0.245630 0.169633 0.471843 11.00000 0.03084 0.03654 = 0.11955 0.01225 0.00383 0.00835 AFIX 43 H01T 2 0.248225 0.236896 0.465212 11.00000 -1.20000 AFIX 0 C01U 1 0.514494 0.005456 0.507499 11.00000 0.04577 0.03481 = 0.06440 0.00433 -0.00370 0.00393 AFIX 43 H01U 2 0.507628 -0.054905 0.521965 11.00000 -1.20000 AFIX 0 C01V 1 0.234642 0.027095 0.510655 11.00000 0.03894 0.06391 = 0.07531 0.00858 0.00834 -0.00912 AFIX 43 H01V 2 0.227509 -0.017148 0.533811 11.00000 -1.20000 AFIX 0 C01W 1 0.912976 0.815726 0.305183 11.00000 0.05990 0.06180 = 0.07501 0.03858 -0.00387 0.00445 AFIX 43 H01W 2 0.838336 0.791850 0.302028 11.00000 -1.20000 AFIX 0 C01X 1 0.236936 0.130991 0.512441 11.00000 0.03329 0.09197 = 0.08320 -0.02504 0.01082 0.00151 AFIX 43 H01X 2 0.233018 0.168113 0.538013 11.00000 -1.20000 AFIX 0 C01Y 1 1.070030 0.888905 0.333645 11.00000 0.07500 0.04135 = 0.05094 0.01225 0.00263 0.00149 AFIX 43 H01Y 2 1.118012 0.923085 0.352749 11.00000 -1.20000 AFIX 0 C020 1 0.250112 0.092409 0.441350 11.00000 0.03862 0.08759 = 0.07030 0.00763 -0.00786 -0.00704 AFIX 43 H020 2 0.254997 0.099081 0.411155 11.00000 -1.20000 AFIX 0 HKLF 4 REM 0217-1_auto_a.res in P2(1)2(1)2(1) REM wR2 = 0.1805, GooF = S = 1.051, Restrained GooF = 1.051 for all data REM R1 = 0.0681 for 7056 Fo > 4sig(Fo) and 0.0910 for all 9301 data REM 623 parameters refined using 0 restraints END WGHT 0.1050 0.0000 REM Highest difference peak 0.708, deepest hole -0.508, 1-sigma level 0.091 Q1 1 1.4138 0.4676 0.5483 11.00000 0.05 0.71 Q2 1 1.0436 0.6787 0.3373 11.00000 0.05 0.65 Q3 1 1.0641 0.4604 0.7321 11.00000 0.05 0.64 Q4 1 1.1056 0.6948 0.3213 11.00000 0.05 0.64 Q5 1 0.3846 0.0129 0.4894 11.00000 0.05 0.57 Q6 1 0.3816 0.4736 0.4597 11.00000 0.05 0.56 Q7 1 0.9525 0.7425 0.3245 11.00000 0.05 0.56 ; _shelx_res_checksum 18930 _shelx_hkl_file ; 0 0 -2 12.73 1.12 0 0 -3 0.08 1.26 0 0 4 954.35 25.89 0 0 -4 935.60 25.86 0 0 -5 1.05 2.10 0 0 5 1.39 2.05 0 0 -6 5153.99 135.96 0 0 -7 5.70 3.67 0 0 -8 215.25 8.80 0 0 -9 8.70 3.85 0 0 -10 158.41 7.77 0 0 -11 7.29 2.43 0 0 -11 6.10 1.33 0 0 -11 7.49 3.75 0 0 -12 749.28 18.31 0 0 -12 777.96 21.92 0 0 -13 0.48 2.79 0 0 -13 2.28 3.88 0 0 -14 208.83 7.35 0 0 -14 217.48 10.43 0 0 -15 1.80 3.24 0 0 -15 4.15 4.39 0 0 -16 296.96 9.85 0 0 -16 297.56 13.23 0 0 -17 0.21 3.80 0 0 -17 0.39 4.26 0 0 -18 779.11 22.46 0 0 -18 763.35 26.71 0 0 -19 -0.72 4.46 0 0 -19 2.11 4.63 0 0 -20 330.20 11.79 0 0 -21 0.83 5.42 0 0 -22 175.14 8.96 0 0 -23 -0.05 6.17 0 0 -24 -1.08 6.79 0 0 -25 -1.90 7.41 0 0 -26 8.25 8.02 0 0 -27 -0.68 8.09 0 0 -28 200.77 11.57 0 0 -29 -0.37 8.20 0 0 -30 29.36 8.42 0 0 -31 -4.20 8.27 0 0 -33 12.71 7.07 0 0 -34 13.78 6.80 0 0 -35 6.88 6.31 0 0 -36 13.48 6.60 0 0 -37 -1.15 5.93 0 0 -38 6.08 5.45 0 1 0 0.44 0.97 0 1 1 63.87 2.48 0 1 2 2.76 1.13 0 1 3 1435.39 37.89 0 -1 -3 1419.25 37.84 0 -1 -4 2.81 1.33 0 1 -5 114.31 5.28 0 -1 5 111.89 5.12 0 -1 6 5031.33 116.42 0 1 -6 5035.09 116.65 0 1 -7 100.52 5.32 0 -1 7 103.76 5.02 0 -1 7 106.23 5.11 0 -1 8 1007.02 26.86 0 -1 -8 937.72 26.15 0 1 -8 976.31 27.06 0 1 -9 617.16 19.30 0 -1 9 649.94 19.24 0 1 -10 1079.26 30.06 0 1 -10 1087.90 32.71 0 -1 -10 1148.00 32.10 0 1 -11 108.51 4.71 0 1 -11 102.70 6.74 0 1 -11 122.75 4.81 0 -1 -11 93.94 5.83 0 -1 11 115.28 6.67 0 1 -12 78.38 4.24 0 1 -12 77.76 6.17 0 -1 12 87.61 5.92 0 -1 -12 69.06 5.11 0 1 -12 82.77 3.92 0 -1 -13 540.49 15.55 0 1 -13 520.70 15.77 0 -1 13 555.69 18.27 0 1 -13 530.42 15.76 0 1 -13 528.20 18.94 0 -1 -14 147.68 5.68 0 1 -14 137.47 6.06 0 -1 -14 158.07 8.64 0 1 -14 140.40 8.50 0 1 -14 135.18 5.44 0 -1 -15 258.57 9.00 0 1 -15 300.13 9.60 0 1 -15 274.36 8.81 0 1 -15 290.65 12.74 0 -1 -15 276.10 12.33 0 -1 -16 84.64 4.57 0 1 -16 75.81 5.06 0 1 -16 69.74 6.89 0 -1 -16 98.94 7.29 0 1 -16 58.80 3.13 0 1 -17 248.99 8.92 0 -1 -17 214.81 8.23 0 1 -17 240.36 11.96 0 -1 -17 217.73 11.46 0 1 -18 224.68 8.78 0 -1 -18 223.33 8.38 0 1 -18 228.82 11.90 0 -1 -18 222.50 11.73 0 1 -19 297.79 10.75 0 -1 -19 293.26 10.25 0 -1 -19 290.31 13.96 0 1 -19 271.59 13.83 0 1 -20 5.29 5.25 0 -1 -20 3.81 4.66 0 -1 -21 114.56 6.99 0 1 -21 133.40 7.82 0 -1 -22 20.86 5.76 0 1 -22 21.41 6.39 0 1 -23 3.84 6.63 0 -1 -23 1.05 6.17 0 -1 -24 15.75 6.77 0 1 -24 9.51 7.23 0 1 -25 86.75 8.92 0 -1 -25 91.47 8.52 0 -1 -26 36.19 7.94 0 1 -26 13.56 8.01 0 1 -27 0.07 8.09 0 -1 -27 1.69 7.52 0 -1 -28 17.50 8.10 0 1 -28 1.13 8.06 0 -1 -29 3.15 8.16 0 -1 -30 1.58 8.32 0 -1 -31 80.41 9.47 0 -1 -32 26.48 8.47 0 -1 -33 26.59 8.10 0 -1 -33 31.33 7.11 0 -1 -34 37.24 7.42 0 -1 -35 14.17 6.48 0 -1 -36 23.12 6.49 0 1 -37 10.32 6.00 0 -1 -37 0.44 5.74 0 1 -38 19.17 5.54 0 -1 -38 17.57 5.59 0 2 0 11.40 2.19 0 2 -1 372.17 11.11 0 2 1 339.97 10.80 0 2 2 186.49 6.56 0 2 3 447.44 13.23 0 2 4 9999.00 261.66 0 2 5 184.29 5.94 0 -2 5 117.96 6.15 0 2 6 278.90 8.91 0 -2 6 265.73 9.65 0 -2 7 461.05 14.75 0 -2 8 74.26 5.08 0 2 -9 4.55 2.37 0 -2 -9 3.48 1.79 0 -2 9 4.19 3.27 0 2 -10 40.99 3.19 0 -2 10 38.14 4.33 0 2 -10 45.83 3.85 0 -2 10 40.43 4.38 0 2 -11 563.88 16.31 0 -2 11 567.77 18.88 0 2 -11 577.07 17.44 0 2 -12 516.82 14.95 0 -2 12 512.06 17.66 0 2 -12 547.38 16.02 0 2 -13 138.97 5.95 0 -2 13 152.44 8.33 0 2 -13 164.61 6.56 0 2 -14 5.37 3.66 0 2 -14 9.55 3.04 0 -2 -14 2.35 3.35 0 -2 14 4.73 4.12 0 2 -15 31.35 4.26 0 2 -15 38.33 3.66 0 -2 15 36.64 5.16 0 -2 -15 28.53 4.15 0 2 -16 117.37 6.22 0 2 -16 115.04 5.68 0 -2 -16 102.65 6.43 0 -2 16 120.78 7.68 0 2 -17 5.62 1.91 0 -2 -17 6.82 3.75 0 2 -17 1.97 4.51 0 2 -17 5.01 2.59 0 -2 -18 4.05 3.78 0 2 -18 3.47 4.69 0 -2 -18 3.59 4.40 0 2 -18 3.16 2.34 0 2 -19 38.36 5.85 0 -2 -19 32.69 4.59 0 -2 -20 6.48 4.46 0 2 -20 5.57 5.51 0 -2 -21 304.99 11.08 0 2 -21 307.00 11.94 0 -2 -22 96.37 6.77 0 2 -22 80.34 7.61 0 -2 -23 1.29 5.83 0 2 -23 -1.72 6.74 0 -2 -24 317.50 12.50 0 -2 -25 74.29 7.98 0 -2 -26 75.75 8.67 0 -2 -27 -2.45 7.92 0 -2 -28 7.10 7.70 0 -2 -29 27.07 8.30 0 -2 -30 11.38 8.20 0 -2 -31 1.39 8.23 0 -2 -32 31.25 8.58 0 2 -32 31.49 7.29 0 -2 -32 37.81 7.32 0 -2 -33 3.68 7.95 0 2 -33 15.45 6.87 0 -2 -33 20.50 6.94 0 -2 -34 15.84 7.95 0 2 -34 24.87 6.83 0 -2 -34 23.83 6.85 0 -2 -35 -1.42 7.41 0 -2 -35 8.02 6.53 0 2 -35 11.25 6.43 0 2 -36 86.07 7.64 0 -2 -36 94.18 8.11 0 -2 -37 4.45 5.77 0 2 -37 7.63 5.58 0 -2 -38 3.78 5.33 0 2 -38 11.81 5.33 0 3 0 31.49 3.80 0 3 -1 5632.28 150.80 0 3 1 5760.60 150.69 0 3 2 24.44 3.81 0 3 3 4031.03 107.34 0 3 4 356.65 11.75 0 3 5 1816.09 43.24 0 3 -5 1298.01 43.29 0 3 -6 131.75 7.34 0 3 6 201.10 7.14 0 -3 7 31.93 3.94 0 3 7 30.40 3.41 0 -3 8 63.54 4.95 0 3 -8 56.32 4.80 0 3 8 45.08 3.71 0 -3 -8 42.95 2.62 0 3 -9 7.88 3.42 0 -3 9 12.57 3.70 0 -3 -9 6.70 1.96 0 3 -10 209.77 9.03 0 -3 10 213.42 9.51 0 3 -10 202.99 6.93 0 -3 11 192.53 9.29 0 3 -11 207.86 8.93 0 -3 -11 219.26 6.97 0 3 -11 198.31 6.67 0 -3 12 470.25 16.08 0 3 -12 471.19 15.13 0 3 -12 457.29 12.57 0 -3 13 8.04 4.06 0 3 -13 8.00 3.40 0 -3 13 5.28 3.98 0 3 -13 6.52 2.45 0 3 -14 68.43 3.64 0 -3 14 68.26 6.34 0 3 -14 79.82 5.72 0 3 -15 96.65 4.19 0 -3 15 91.48 7.40 0 -3 -15 89.38 6.31 0 3 -15 93.16 6.07 0 3 -16 209.99 6.96 0 3 -16 218.82 9.21 0 -3 -16 185.01 9.54 0 -3 16 212.52 11.26 0 3 -17 1.66 2.46 0 3 -17 2.07 3.26 0 -3 17 -0.72 4.35 0 3 -18 57.10 3.36 0 -3 18 44.30 6.19 0 3 -19 187.93 6.56 0 -3 -19 203.97 8.27 0 -3 19 179.62 10.48 0 -3 -20 32.05 5.20 0 -3 -21 90.81 6.48 0 -3 -22 2.50 5.53 0 -3 -23 13.22 6.34 0 -3 -24 12.90 6.77 0 -3 -25 2.96 7.15 0 -3 -26 15.16 7.30 0 -3 -27 103.75 9.18 0 -3 -28 2.42 7.73 0 -3 -29 -1.38 8.27 0 -3 -30 -3.48 8.21 0 -3 -31 9.96 7.96 0 -3 -31 12.58 6.78 0 3 -31 12.60 6.88 0 -3 -32 7.60 8.14 0 3 -32 7.16 6.69 0 -3 -32 4.50 6.37 0 -3 -33 47.97 8.66 0 -3 -33 37.78 6.92 0 3 -33 37.83 7.03 0 -3 -34 24.24 8.27 0 -3 -34 22.36 6.46 0 3 -34 37.88 6.78 0 -3 -35 99.07 9.03 0 3 -35 84.55 7.68 0 -3 -35 73.77 7.69 0 -3 -36 14.66 7.07 0 3 -36 18.83 5.88 0 -3 -36 24.23 6.21 0 3 -37 17.59 5.49 0 -3 -37 13.32 5.42 0 -3 -38 14.09 5.17 0 4 0 1093.99 32.07 0 4 -1 153.01 7.68 0 4 1 157.33 7.67 0 4 2 119.55 6.61 0 4 -2 117.52 6.65 0 4 3 5.60 3.40 0 4 4 122.38 6.53 0 4 5 47.23 4.34 0 4 -5 37.03 4.55 0 4 6 14.84 3.38 0 4 -6 11.48 3.99 0 4 7 208.00 8.49 0 4 -7 210.88 6.78 0 4 -8 94.44 6.55 0 -4 8 103.70 6.54 0 4 8 77.93 5.48 0 4 -8 105.34 4.19 0 -4 -8 80.93 3.87 0 4 -9 28.87 4.66 0 4 9 15.52 3.64 0 -4 9 30.80 4.48 0 -4 -9 18.40 2.52 0 4 -9 28.85 2.96 0 -4 10 635.02 21.00 0 4 -10 617.25 20.84 0 4 -10 640.52 17.80 0 -4 -10 607.72 17.72 0 4 -11 83.85 6.24 0 -4 11 83.06 6.23 0 4 -11 88.54 4.05 0 -4 12 67.97 6.21 0 4 -12 68.13 6.15 0 -4 -12 59.53 3.92 0 4 -12 73.02 3.93 0 4 -13 215.40 7.50 0 4 -13 226.46 10.70 0 -4 13 216.16 10.62 0 -4 -13 221.66 7.79 0 -4 14 11.79 4.54 0 4 -14 9.13 4.32 0 -4 14 10.13 4.54 0 -4 -14 11.17 3.19 0 4 -14 10.32 2.94 0 4 -15 525.97 15.20 0 -4 15 492.19 19.43 0 -4 15 500.50 19.15 0 4 -15 509.44 18.30 0 4 -16 159.26 6.07 0 4 -16 159.53 8.50 0 -4 16 155.34 9.67 0 4 -17 40.81 3.61 0 -4 17 39.09 6.19 0 4 -17 35.84 5.04 0 4 -18 305.04 9.74 0 -4 18 269.55 14.33 0 4 -19 7.48 3.09 0 -4 19 4.49 4.78 0 4 -20 34.17 3.43 0 -4 -21 136.36 8.00 0 -4 -22 73.63 7.07 0 -4 -23 3.25 6.50 0 -4 -24 77.92 7.99 0 -4 -25 63.76 8.03 0 -4 -26 2.23 7.32 0 -4 -27 -1.96 7.64 0 -4 -28 3.90 7.88 0 -4 -29 52.36 8.63 0 4 -30 190.36 10.50 0 -4 -30 185.98 10.52 0 -4 -31 28.56 8.36 0 4 -31 30.03 6.94 0 -4 -31 29.41 6.96 0 -4 -32 28.88 8.22 0 -4 -32 26.00 6.59 0 4 -32 16.16 6.36 0 -4 -33 6.66 7.97 0 4 -33 14.24 6.17 0 -4 -33 6.02 6.04 0 -4 -34 1.11 7.88 0 -4 -34 5.14 5.87 0 4 -34 0.09 5.64 0 -4 -35 6.18 7.52 0 4 -35 9.01 5.58 0 -4 -35 7.66 5.46 0 -4 -36 19.92 7.02 0 -4 -36 11.82 5.33 0 4 -36 19.60 5.53 0 -4 -37 1.93 6.23 0 -4 -37 -6.08 4.96 0 4 -37 -1.61 4.72 0 5 0 2.99 4.21 0 5 0 2.67 2.24 0 5 1 58.03 5.69 0 5 -1 53.84 5.83 0 5 -1 43.07 3.05 0 5 1 55.23 3.05 0 5 -2 4.38 4.25 0 5 2 3.59 3.96 0 5 -2 2.27 2.41 0 5 3 286.24 10.03 0 5 -3 149.02 5.95 0 5 -4 303.84 9.09 0 5 4 332.90 12.13 0 5 -5 71.31 3.77 0 5 5 67.35 5.68 0 5 -5 56.45 5.93 0 5 -6 121.80 5.00 0 5 6 131.02 7.11 0 5 -7 9.64 2.90 0 5 7 4.41 3.76 0 5 -7 7.35 4.44 0 5 -8 173.12 9.60 0 5 -8 196.40 6.70 0 5 -9 160.30 9.39 0 -5 9 168.69 9.37 0 5 9 171.63 8.73 0 5 -9 171.65 6.53 0 -5 -9 167.87 6.29 0 -5 10 28.68 5.18 0 5 -10 21.83 5.41 0 5 10 17.52 4.09 0 5 -10 24.06 3.44 0 -5 -10 20.77 3.11 0 5 -11 22.81 5.56 0 -5 11 19.80 5.06 0 5 -11 24.24 3.43 0 -5 -11 36.09 3.50 0 5 -12 274.64 8.50 0 5 -12 273.04 12.51 0 -5 12 266.70 11.99 0 5 -13 378.61 12.11 0 -5 13 377.47 15.83 0 5 -13 382.08 15.96 0 -5 -13 399.21 12.47 0 -5 14 3.07 4.62 0 5 -14 3.81 4.79 0 -5 -14 2.66 3.49 0 5 -14 0.56 3.37 0 5 -15 224.48 8.21 0 -5 15 226.91 11.92 0 -5 -15 237.50 8.67 0 5 -16 311.90 10.26 0 -5 16 280.52 14.34 0 5 -16 301.49 13.73 0 -5 16 299.03 14.20 0 5 -17 355.43 11.41 0 5 -17 324.95 14.69 0 5 -18 5.01 3.56 0 5 -19 8.36 3.81 0 5 -20 193.64 7.59 0 5 -21 27.80 3.93 0 5 -22 58.44 4.51 0 -5 -23 8.31 7.33 0 -5 -24 42.18 7.79 0 -5 -25 25.05 7.45 0 -5 -26 62.73 8.36 0 -5 -27 9.72 7.86 0 -5 -28 2.96 7.84 0 -5 -28 13.91 6.10 0 5 -28 11.27 6.05 0 -5 -29 22.36 8.02 0 -5 -29 23.67 6.43 0 5 -29 23.94 6.28 0 -5 -30 40.39 8.49 0 -5 -30 27.63 6.57 0 5 -30 40.68 6.62 0 5 -31 102.26 8.16 0 -5 -31 97.27 8.10 0 -5 -32 7.08 8.15 0 -5 -32 6.24 5.94 0 5 -32 7.68 5.94 0 -5 -33 80.44 7.25 0 5 -33 94.23 7.64 0 -5 -34 -2.87 7.65 0 5 -34 -0.16 5.09 0 -5 -34 -1.41 5.11 0 -5 -35 15.21 5.36 0 5 -35 16.63 5.24 0 -5 -36 12.25 6.96 0 5 -36 10.97 4.82 0 -5 -36 4.93 4.93 0 6 0 199.43 10.41 0 6 0 176.47 6.52 0 6 1 31.25 5.73 0 6 -1 24.15 5.50 0 6 -1 19.21 3.17 0 6 1 26.79 3.01 0 6 2 8.42 4.83 0 6 -2 11.66 5.33 0 6 2 11.36 2.64 0 6 -2 8.15 3.05 0 6 3 726.00 17.79 0 6 3 757.27 22.56 0 6 4 25.12 3.22 0 6 4 23.93 2.67 0 6 -4 21.93 3.10 0 6 4 21.05 5.24 0 6 -4 15.56 3.35 0 6 -5 557.67 16.10 0 6 5 583.79 15.57 0 6 5 555.90 19.39 0 6 -5 473.98 20.18 0 6 -5 503.26 16.10 0 6 -6 557.64 16.49 0 6 6 592.05 15.86 0 6 6 565.39 19.74 0 6 7 228.68 7.32 0 6 7 220.90 10.91 0 6 -7 227.41 12.42 0 6 -8 7.99 3.36 0 6 8 5.22 4.29 0 6 -8 7.84 5.32 0 6 -9 7.78 3.43 0 6 -9 7.66 5.51 0 6 9 2.71 4.32 0 -6 -9 0.04 3.13 0 6 -9 8.44 3.69 0 6 -10 113.80 5.90 0 -6 10 113.06 8.48 0 6 -10 113.37 9.18 0 6 10 113.55 7.74 0 6 -10 116.54 5.86 0 -6 -10 125.78 5.66 0 -6 11 14.85 5.24 0 6 -11 15.98 5.72 0 -6 -11 24.50 3.68 0 6 -11 22.38 4.16 0 6 -12 950.75 27.11 0 -6 12 973.25 32.06 0 6 -12 893.70 31.93 0 -6 -12 974.35 27.26 0 6 -13 71.67 5.15 0 6 -13 72.89 7.65 0 -6 13 79.80 7.55 0 6 -14 39.40 4.71 0 -6 14 41.76 6.65 0 6 -14 35.78 6.54 0 -6 -14 32.29 4.60 0 -6 -15 19.30 4.52 0 6 -15 34.20 4.58 0 -6 -16 19.42 4.86 0 6 -16 11.13 4.25 0 6 -17 12.01 4.27 0 -6 -17 17.49 4.99 0 6 -18 101.50 6.16 0 6 -19 18.01 4.55 0 6 -20 60.14 5.12 0 6 -21 6.41 4.18 0 6 -22 244.05 9.30 0 6 -23 221.03 8.77 0 -6 -24 6.38 7.92 0 -6 -25 109.39 9.26 0 6 -25 79.91 6.82 0 -6 -26 195.04 10.89 0 6 -26 170.52 9.14 0 -6 -26 168.09 9.17 0 -6 -27 63.26 9.08 0 -6 -27 50.36 6.55 0 6 -28 83.16 7.33 0 -6 -28 83.39 7.37 0 -6 -29 -0.37 7.75 0 -6 -29 1.53 5.48 0 6 -29 3.23 5.52 0 -6 -30 36.60 8.30 0 6 -30 20.86 5.86 0 -6 -30 23.88 6.07 0 -6 -31 1.02 7.87 0 -6 -31 3.33 5.45 0 6 -31 6.13 5.46 0 -6 -32 4.89 8.21 0 -6 -32 4.45 5.18 0 6 -32 3.71 5.05 0 -6 -33 34.87 8.30 0 6 -33 21.68 6.33 0 6 -33 20.53 5.19 0 -6 -33 23.85 5.30 0 6 -34 38.32 6.23 0 -6 -34 32.87 5.58 0 6 -34 37.37 5.44 0 6 -35 9.80 5.12 0 7 0 5.46 5.35 0 7 0 2.49 3.22 0 7 1 44.70 3.89 0 7 -1 51.76 7.00 0 7 1 42.44 6.67 0 7 -1 49.21 4.16 0 7 2 161.58 6.31 0 7 2 150.81 9.98 0 7 -2 161.59 10.55 0 7 -2 155.15 6.59 0 7 -3 24.51 3.60 0 7 3 12.93 5.48 0 7 -3 25.60 6.34 0 7 3 12.43 3.06 0 7 -3 19.86 3.78 0 7 -4 29.42 3.62 0 7 4 27.90 3.12 0 7 4 30.71 5.82 0 7 -4 20.67 3.88 0 7 -5 2.75 3.25 0 7 5 3.48 4.64 0 7 -5 5.12 3.73 0 7 5 3.19 2.62 0 7 -6 4.46 3.38 0 7 -6 1.92 5.38 0 7 6 2.01 4.58 0 7 6 -0.08 2.42 0 7 -6 2.95 3.83 0 7 7 158.60 5.55 0 7 -7 135.37 6.41 0 7 7 151.79 9.31 0 7 8 80.71 3.96 0 7 8 82.25 7.54 0 7 -9 1088.26 30.03 0 7 9 978.42 34.10 0 7 -10 205.29 7.86 0 7 -10 221.21 8.15 0 -7 10 206.37 11.70 0 7 10 104.81 8.97 0 -7 -10 142.37 7.16 0 7 -11 137.76 6.90 0 7 -11 127.15 6.68 0 -7 11 124.52 9.56 0 -7 -12 8.32 4.23 0 7 -12 13.71 4.88 0 7 -12 13.79 4.68 0 -7 -13 103.37 6.47 0 7 -13 114.91 6.80 0 7 -13 110.34 6.79 0 7 -14 -1.90 4.90 0 -7 -14 4.83 4.64 0 7 -14 3.09 5.04 0 7 -15 24.04 5.13 0 -7 -15 40.14 5.80 0 7 -15 26.05 5.89 0 -7 -16 129.13 7.58 0 7 -16 110.91 6.87 0 7 -16 109.96 7.85 0 -7 -17 3.09 5.48 0 7 -17 -0.21 5.07 0 7 -18 116.15 6.91 0 7 -18 79.82 5.28 0 7 -19 45.46 5.64 0 7 -19 32.43 4.20 0 7 -20 109.39 6.61 0 7 -20 70.58 5.45 0 7 -21 70.01 6.00 0 7 -21 55.26 5.29 0 7 -22 11.95 4.75 0 7 -22 11.44 4.42 0 7 -23 39.48 5.18 0 7 -23 37.21 5.17 0 7 -24 19.37 4.83 0 7 -24 22.99 5.00 0 -7 -25 80.99 9.52 0 7 -25 52.21 5.87 0 -7 -26 8.24 8.14 0 7 -26 4.39 4.83 0 -7 -27 18.23 8.21 0 7 -27 11.70 5.13 0 -7 -28 8.84 8.18 0 7 -28 9.31 7.14 0 7 -28 2.58 4.79 0 -7 -29 65.07 8.82 0 7 -29 63.18 8.08 0 -7 -30 32.08 8.22 0 7 -30 26.50 7.27 0 7 -30 13.64 5.06 0 7 -31 12.32 6.58 0 -7 -31 6.27 8.07 0 7 -32 8.27 5.98 0 7 -33 6.89 5.74 0 7 -34 5.52 5.10 0 8 0 142.94 6.76 0 8 1 576.95 18.63 0 8 -1 699.35 19.13 0 8 -2 11.78 4.31 0 8 2 3.59 3.76 0 8 -3 183.08 8.27 0 8 -3 205.95 8.14 0 8 -4 254.45 9.02 0 8 4 267.86 8.59 0 8 -5 78.14 5.75 0 8 5 67.43 4.38 0 8 -6 196.41 8.41 0 8 -6 198.92 7.76 0 8 7 35.30 3.43 0 8 -7 47.53 5.54 0 8 -7 50.09 4.80 0 8 8 293.62 9.45 0 8 -8 307.95 10.78 0 8 -9 80.33 5.74 0 8 -10 196.54 8.97 0 -8 -10 242.18 9.30 0 8 -11 29.25 5.26 0 8 -11 25.94 5.74 0 -8 -11 21.59 4.97 0 8 -12 36.58 5.50 0 -8 -12 27.65 5.31 0 8 -12 36.68 5.96 0 8 -13 24.99 5.61 0 8 -13 24.71 5.88 0 -8 -13 20.07 5.45 0 8 -14 36.78 6.01 0 -8 -14 32.66 6.00 0 8 -14 31.38 6.18 0 8 -15 98.66 7.78 0 8 -15 97.71 7.39 0 -8 -15 111.73 7.83 0 8 -16 4.91 6.07 0 -8 -16 4.29 6.19 0 8 -16 1.56 5.97 0 8 -17 25.89 6.78 0 8 -17 20.98 6.07 0 -8 -17 17.64 6.87 0 8 -18 126.43 7.78 0 8 -18 113.70 8.76 0 8 -19 539.64 19.24 0 8 -19 549.13 17.87 0 8 -20 23.82 7.33 0 8 -20 32.31 6.03 0 8 -21 41.08 6.20 0 8 -21 27.83 7.62 0 8 -22 57.30 8.21 0 8 -22 80.23 6.65 0 8 -23 78.73 8.84 0 8 -23 105.28 7.07 0 8 -24 121.02 7.30 0 8 -24 136.00 9.96 0 8 -25 33.77 7.91 0 8 -26 16.19 7.38 0 -8 -26 12.94 8.63 0 8 -27 16.59 7.33 0 -8 -27 16.92 8.44 0 8 -28 7.00 7.12 0 -8 -28 2.11 8.00 0 8 -29 13.66 7.03 0 -8 -29 24.23 8.26 0 8 -30 58.97 7.42 0 8 -31 39.41 6.54 0 8 -32 6.73 5.66 0 8 -33 6.23 5.01 0 9 0 2.97 4.68 0 9 1 34.03 4.92 0 9 -1 45.18 5.55 0 9 -2 61.28 6.06 0 9 -2 59.41 5.55 0 9 -3 103.35 7.07 0 9 -3 109.80 6.44 0 9 -4 6.96 4.42 0 9 -4 1.57 5.17 0 9 4 5.25 4.04 0 9 5 263.56 9.69 0 9 -5 253.87 10.86 0 9 6 25.31 3.99 0 9 -6 27.52 4.81 0 9 -6 28.82 6.08 0 9 -7 50.45 6.54 0 9 -7 55.18 5.52 0 9 7 62.05 4.42 0 9 -8 8.44 4.78 0 9 -8 5.04 6.29 0 9 -9 36.60 5.53 0 9 -10 11.03 5.42 0 -9 -10 14.84 5.57 0 9 -11 13.27 5.56 0 -9 -11 5.75 5.54 0 9 -12 3.60 5.54 0 -9 -12 2.70 5.96 0 9 -12 -1.64 6.61 0 9 -13 365.61 14.17 0 9 -13 342.45 13.63 0 -9 -13 391.12 14.11 0 9 -14 108.68 8.03 0 9 -14 110.68 8.48 0 -9 -14 107.10 8.32 0 9 -15 120.61 8.81 0 9 -15 120.50 8.67 0 -9 -15 143.46 9.21 0 9 -16 45.54 7.40 0 -9 -16 62.56 8.12 0 9 -16 37.72 7.26 0 9 -17 78.70 7.60 0 9 -17 69.03 8.16 0 -9 -17 63.14 8.66 0 9 -18 -0.41 6.83 0 -9 -18 3.73 7.42 0 9 -18 1.98 6.47 0 9 -19 57.76 8.07 0 9 -19 63.66 7.21 0 9 -20 5.63 7.07 0 9 -20 6.59 6.07 0 9 -21 175.81 10.69 0 9 -21 180.11 9.44 0 9 -22 6.71 7.05 0 9 -22 7.74 6.08 0 9 -23 11.34 7.33 0 9 -23 20.32 5.91 0 9 -24 6.72 7.27 0 9 -24 6.35 5.44 0 9 -25 7.35 7.10 0 9 -25 7.04 5.08 0 9 -26 11.51 7.11 0 9 -27 117.39 8.87 0 9 -28 5.80 6.62 0 9 -29 9.99 6.48 0 9 -30 2.90 5.93 0 9 -31 5.34 5.48 0 10 0 43.73 6.21 0 10 -1 103.51 7.38 0 10 -1 97.51 6.73 0 10 1 97.10 7.12 0 10 -2 233.74 9.72 0 10 -2 243.58 10.60 0 10 2 218.55 9.63 0 10 -3 37.42 5.83 0 10 -3 42.26 6.70 0 10 -4 52.69 6.83 0 10 4 66.32 5.50 0 10 -4 54.91 6.14 0 10 -5 96.39 7.96 0 10 5 113.80 6.30 0 10 -6 3.29 5.38 0 10 -6 -6.24 6.85 0 10 6 3.41 4.16 0 10 -7 6.09 5.40 0 10 7 14.38 4.00 0 10 -7 -0.49 7.35 0 10 -8 40.21 6.12 0 10 -8 39.58 7.71 0 10 -9 38.07 6.36 0 10 -9 36.34 7.84 0 10 -10 7.29 5.88 0 -10 -10 5.11 6.37 0 10 -11 88.84 7.62 0 -10 -11 102.49 8.35 0 10 -12 27.46 6.45 0 -10 -12 27.84 6.93 0 10 -13 26.92 6.81 0 10 -13 19.32 7.82 0 -10 -13 25.89 7.34 0 10 -14 33.92 6.98 0 10 -14 28.75 7.94 0 -10 -14 16.67 7.62 0 10 -15 213.96 10.89 0 10 -15 210.89 11.14 0 -10 -15 206.47 11.35 0 10 -16 12.12 6.95 0 -10 -16 10.06 7.59 0 10 -16 10.23 7.19 0 10 -17 27.90 7.14 0 -10 -17 37.87 8.30 0 10 -17 26.09 7.40 0 10 -18 67.47 8.18 0 10 -18 63.47 8.10 0 -10 -18 78.50 9.10 0 10 -19 44.84 7.46 0 10 -19 45.19 7.83 0 -10 -19 54.38 8.80 0 10 -20 65.95 7.57 0 10 -20 65.70 8.33 0 10 -21 2.86 7.16 0 10 -21 9.42 6.82 0 10 -22 5.01 7.01 0 10 -22 9.32 6.30 0 10 -23 65.62 8.25 0 10 -23 83.23 7.32 0 10 -24 4.32 7.01 0 10 -24 9.57 5.80 0 10 -25 17.60 7.07 0 10 -25 20.27 5.49 0 10 -26 15.51 6.96 0 10 -27 31.66 6.99 0 10 -28 6.78 6.02 0 10 -29 9.57 5.85 0 10 -30 25.26 5.56 0 11 0 1.12 6.39 0 11 1 45.07 6.55 0 11 -1 39.46 6.44 0 11 -1 34.40 7.19 0 11 -2 10.66 5.73 0 11 -2 3.47 6.98 0 11 2 7.83 5.68 0 11 -3 4.56 5.93 0 11 3 12.36 5.57 0 11 -3 4.84 7.05 0 11 -4 45.87 7.74 0 11 4 51.36 5.86 0 11 -4 50.26 6.68 0 11 -5 29.11 6.36 0 11 -5 8.62 7.51 0 11 6 45.83 5.44 0 11 -6 38.70 8.07 0 11 -7 34.37 6.73 0 11 -7 17.84 8.37 0 11 -8 60.39 6.97 0 11 -8 43.07 8.98 0 11 -9 398.61 14.93 0 11 -9 397.58 16.45 0 -11 -9 405.95 15.31 0 11 -10 7.31 6.74 0 -11 -10 2.27 7.12 0 11 -11 35.25 7.17 0 -11 -11 48.14 7.70 0 11 -12 47.57 7.52 0 -11 -12 54.13 7.97 0 11 -13 0.94 6.86 0 -11 -13 -1.17 7.44 0 11 -14 77.77 8.39 0 -11 -14 75.45 8.81 0 11 -15 9.47 7.13 0 11 -15 19.43 8.20 0 -11 -15 8.91 7.89 0 11 -16 201.47 11.04 0 11 -16 204.66 11.73 0 -11 -16 211.39 11.87 0 11 -17 42.09 7.70 0 -11 -17 61.29 8.91 0 11 -17 33.94 8.09 0 11 -18 24.06 7.49 0 -11 -18 15.02 8.21 0 11 -18 19.51 7.61 0 11 -19 22.80 7.48 0 11 -19 22.19 7.74 0 11 -20 36.15 7.66 0 11 -20 35.96 7.68 0 11 -21 29.64 7.45 0 11 -21 38.66 7.24 0 11 -22 -5.91 7.00 0 11 -22 4.59 6.32 0 11 -23 1.17 6.89 0 11 -23 3.82 5.99 0 11 -24 1.75 6.64 0 11 -24 10.58 5.77 0 11 -25 1.44 6.41 0 11 -25 3.63 5.28 0 11 -26 14.84 6.29 0 11 -27 -0.38 5.77 0 11 -28 6.35 5.38 0 12 0 98.60 8.52 0 12 1 131.79 9.24 0 12 -1 162.07 9.92 0 12 -2 60.30 8.43 0 12 2 47.54 7.09 0 12 -2 54.71 7.15 0 12 -3 32.88 6.72 0 12 -3 33.48 8.15 0 12 3 31.33 6.41 0 12 -4 7.84 6.11 0 12 -4 2.81 8.04 0 12 4 3.51 5.83 0 12 -5 37.08 6.75 0 12 -5 25.43 8.33 0 12 5 32.00 5.94 0 12 -6 76.05 7.72 0 12 -6 68.50 9.11 0 12 6 83.31 6.51 0 12 -7 19.33 6.98 0 12 -7 26.37 8.60 0 12 -8 55.69 9.08 0 12 -8 43.69 7.44 0 -12 -8 26.21 7.41 0 12 -9 32.95 7.26 0 -12 -9 18.07 7.24 0 12 -10 72.00 9.87 0 12 -10 55.70 7.93 0 -12 -10 55.30 7.97 0 12 -11 6.09 7.00 0 -12 -11 -0.08 7.40 0 12 -12 34.42 7.55 0 -12 -12 47.23 8.09 0 12 -13 7.04 6.89 0 -12 -13 10.08 7.58 0 12 -14 15.86 7.49 0 12 -14 18.07 8.74 0 -12 -14 30.50 8.12 0 12 -15 11.72 7.51 0 -12 -15 13.47 8.22 0 12 -15 13.50 8.38 0 12 -16 21.98 7.61 0 -12 -16 32.04 8.34 0 12 -16 31.55 8.47 0 12 -17 2.66 7.15 0 -12 -17 3.39 7.65 0 12 -17 7.96 8.13 0 12 -18 -6.46 7.46 0 12 -18 4.54 7.85 0 -12 -18 0.75 7.81 0 12 -19 35.12 7.67 0 12 -19 39.80 8.01 0 12 -20 -5.20 7.14 0 12 -20 0.74 6.87 0 12 -21 -3.28 7.18 0 12 -21 6.17 6.94 0 12 -22 131.88 9.44 0 12 -22 165.21 9.51 0 12 -23 2.11 6.38 0 12 -23 -0.29 5.99 0 12 -24 8.33 6.08 0 12 -24 -3.35 5.57 0 12 -25 4.84 5.71 0 12 -26 20.36 5.57 0 13 0 1.90 7.46 0 13 1 56.95 8.13 0 13 -1 73.64 8.99 0 13 -2 13.04 8.09 0 13 2 7.56 7.04 0 13 -3 303.43 14.09 0 13 3 300.27 12.55 0 13 -4 18.60 6.98 0 13 -4 6.59 8.36 0 13 4 0.62 6.24 0 13 -5 1.16 6.83 0 13 -5 0.48 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5.40 -2 -7 -27 52.59 8.48 2 7 -27 55.57 6.97 2 7 -27 35.93 6.04 -2 -7 -26 125.62 9.48 2 7 -26 132.09 8.66 -2 -7 -25 84.58 9.03 2 7 -25 71.29 7.45 2 7 -25 57.41 6.39 -2 -7 -24 64.87 8.82 2 7 -24 65.27 7.30 2 7 -24 51.72 6.05 2 7 -23 5.13 6.00 2 7 -23 5.22 4.69 2 7 -22 132.60 8.51 2 7 -22 123.94 7.42 2 7 -21 75.53 6.31 2 7 -21 71.87 7.09 2 7 -20 29.10 5.51 2 7 -20 25.10 6.17 2 7 -20 10.66 4.21 2 7 -19 97.51 7.35 2 7 -19 99.52 6.78 2 7 -18 7.15 5.35 2 7 -18 4.78 5.36 2 7 -18 5.42 3.58 2 7 -17 46.54 5.95 2 7 -17 34.90 5.85 2 7 -17 32.97 4.01 -2 -7 -16 14.00 5.40 2 7 -16 7.39 5.36 2 7 -16 11.31 5.13 2 7 -16 11.09 3.20 2 7 -15 70.46 5.96 2 7 -15 75.47 6.48 -2 -7 -15 74.63 6.27 2 7 -14 17.18 4.59 -2 -7 -14 13.68 4.86 2 7 -14 19.34 5.33 2 7 -13 128.04 7.34 2 7 -13 115.26 6.46 -2 -7 -13 119.96 6.74 2 7 -12 185.86 7.76 2 7 -12 196.14 8.58 2 -7 12 186.49 10.62 -2 -7 -12 162.66 7.89 2 7 -11 468.44 14.43 2 7 -11 444.96 13.70 2 -7 11 436.82 17.27 2 7 -10 183.78 7.48 -2 -7 -10 174.17 7.65 2 7 -9 848.26 24.92 -2 7 9 767.38 27.96 2 7 -8 51.27 4.16 -2 7 8 46.48 6.00 -2 7 8 49.41 3.20 2 7 -7 238.24 8.48 -2 7 7 256.03 12.14 2 7 -6 651.47 17.04 -2 7 6 604.95 20.96 2 7 -5 45.83 4.68 2 7 -5 52.63 3.90 -2 7 5 40.65 5.93 2 7 -4 284.86 10.29 2 7 -4 309.99 9.66 -2 7 4 277.44 9.83 -2 7 4 276.24 13.13 2 7 -4 296.89 15.61 -2 7 3 328.55 10.10 2 7 -3 262.71 9.98 2 7 -3 268.35 9.43 -2 7 3 328.96 13.90 2 7 -2 160.12 7.15 -2 7 2 199.20 7.20 2 7 -2 153.53 6.45 -2 7 2 211.36 10.89 2 7 -1 51.88 4.45 -2 7 1 50.12 4.31 2 7 -1 48.19 3.73 2 7 -1 50.76 7.93 -2 7 1 50.66 6.70 -2 7 0 23.14 3.76 2 7 0 14.57 2.96 -2 7 0 25.71 6.08 2 7 0 8.79 6.09 2 7 0 14.88 3.77 -2 7 -1 36.47 4.00 2 7 1 40.93 3.65 2 7 1 45.98 4.14 2 7 1 39.06 7.17 -2 7 -2 227.67 8.46 2 7 2 246.38 8.48 2 7 2 236.00 13.29 2 7 3 318.14 9.93 2 7 3 311.68 15.06 -2 7 -4 312.18 10.38 2 7 4 299.57 9.88 -2 7 -5 54.78 4.54 2 7 5 43.87 3.67 -2 7 -6 622.30 18.00 2 7 6 577.68 17.19 -2 7 -7 282.85 9.53 2 7 7 235.78 8.29 -2 7 -8 53.92 4.97 2 -7 -9 695.72 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2 8 -27 19.92 6.11 -2 -8 -26 8.15 8.20 2 8 -26 8.10 6.12 -2 -8 -25 67.47 9.16 2 8 -25 55.69 7.13 2 8 -24 67.54 7.44 2 8 -23 3.88 6.06 2 8 -22 56.52 6.94 2 8 -22 68.85 6.84 2 8 -21 76.90 7.09 2 8 -21 73.08 7.37 2 8 -20 115.76 8.23 2 8 -20 119.48 7.95 2 8 -19 29.51 6.35 2 8 -19 34.63 6.27 -2 -8 -18 82.80 7.82 2 8 -18 76.84 7.15 2 8 -18 77.09 7.11 -2 -8 -17 40.75 7.05 2 8 -17 49.93 6.31 2 8 -17 49.64 6.65 2 8 -16 255.90 11.04 2 8 -16 253.50 11.43 2 8 -15 9.63 6.31 -2 -8 -15 12.06 6.09 2 8 -15 10.32 5.21 -2 -8 -14 12.64 5.58 2 8 -14 32.18 6.52 2 8 -14 24.17 5.19 -2 -8 -13 13.56 5.24 2 8 -13 9.21 5.97 2 8 -13 6.59 4.54 -2 -8 -12 325.46 12.22 2 8 -12 322.09 11.67 2 8 -12 337.78 12.62 -2 -8 -11 40.47 5.35 2 8 -11 30.37 6.12 2 8 -11 28.50 4.62 -2 -8 -10 112.99 6.80 2 8 -10 110.68 6.20 -2 -8 -9 39.50 4.92 2 8 -9 39.97 4.55 -2 8 8 159.86 6.37 2 8 -8 197.43 7.54 2 8 -7 47.22 4.59 2 8 -7 38.91 5.59 2 8 -6 22.01 4.99 2 8 -6 32.54 4.17 -2 8 5 304.22 9.54 2 8 -5 279.17 9.74 -2 8 4 130.55 6.18 2 8 -4 150.51 7.42 -2 8 4 124.20 6.56 2 8 -4 158.56 6.49 -2 8 3 251.13 9.06 2 8 -3 261.97 9.82 -2 8 3 246.55 9.18 2 8 -3 245.78 8.88 2 8 -2 27.63 3.88 2 8 -2 27.53 4.80 -2 8 2 32.10 4.39 2 8 -1 216.93 8.67 2 8 -1 208.30 7.95 -2 8 1 225.35 8.50 -2 8 0 70.52 5.09 2 8 0 57.25 5.11 2 8 0 56.05 4.37 -2 8 -1 143.53 6.77 2 8 1 142.57 6.86 2 8 2 23.18 4.26 -2 8 -2 32.94 4.53 -2 8 -3 257.52 9.44 2 8 3 250.76 9.15 -2 8 -4 180.91 7.59 2 8 4 169.64 7.09 -2 8 -5 227.88 8.73 2 8 5 212.97 7.97 -2 8 -6 51.80 5.16 2 8 6 55.87 4.14 -2 8 -7 48.25 5.19 2 8 7 62.46 4.23 -2 8 -8 245.36 9.75 2 -8 -9 42.05 4.79 -2 8 -9 40.68 5.47 2 -8 -10 107.49 6.27 -2 8 -10 111.38 7.01 -2 8 -11 28.89 5.66 2 -8 -11 29.09 4.80 -2 8 -11 25.54 5.61 2 -8 -12 344.07 12.23 -2 8 -12 334.23 12.61 -2 8 -13 3.52 5.61 2 -8 -13 4.82 4.87 -2 8 -14 18.31 5.71 2 -8 -14 24.15 5.45 -2 8 -15 1.94 5.30 2 -8 -15 10.20 5.62 -2 8 -16 262.97 10.69 2 -8 -16 259.78 11.13 2 -8 -17 72.16 6.94 -2 8 -17 52.09 6.22 -2 8 -18 46.63 6.29 -2 8 -19 54.61 6.39 -2 8 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5.21 8 -6 7 57.37 7.25 8 -6 7 62.42 7.23 8 6 -7 51.89 4.82 8 -6 6 24.25 6.29 8 -6 6 23.35 6.54 8 6 -6 25.90 4.18 8 -6 5 96.56 7.27 8 -6 5 99.85 8.28 8 6 -5 85.53 5.66 8 -6 4 17.75 3.72 8 -6 4 13.52 5.41 8 -6 4 13.41 6.39 8 6 -4 19.08 4.13 8 -6 3 48.05 5.73 8 -6 3 46.36 7.25 8 -6 3 45.32 4.36 8 6 -3 45.55 4.52 8 -6 2 127.87 7.19 8 -6 2 126.19 8.96 8 -6 2 122.75 5.94 8 6 -2 101.70 5.99 8 -6 1 40.45 5.24 8 -6 1 41.34 7.05 8 6 -1 52.09 4.64 8 -6 1 40.12 4.29 8 -6 0 18.45 3.72 8 6 0 17.28 3.91 8 -6 0 14.28 6.21 8 -6 -1 25.81 3.95 8 6 1 23.11 3.96 8 -6 -2 119.43 6.20 8 6 2 127.17 6.21 8 -6 -3 84.72 8.04 8 6 3 74.84 5.02 8 -6 -3 72.22 5.17 8 6 4 17.90 3.70 8 -6 -4 21.06 6.58 8 -6 -4 12.16 3.89 8 -6 -5 141.86 9.37 8 -6 -5 129.98 6.57 8 -6 -6 19.45 6.45 8 -6 -6 20.49 4.00 8 -6 -7 51.85 7.20 8 -6 -7 43.17 4.68 8 -6 -8 53.45 7.11 8 -6 -8 46.09 4.80 8 -6 -9 19.31 6.31 8 -6 -9 14.32 4.30 -8 6 -10 29.74 5.17 8 -6 -10 27.34 6.16 8 -6 -10 22.41 4.69 -8 6 -11 3.35 4.96 8 -6 -11 9.71 5.58 8 -6 -11 10.73 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9.02 8 -8 2 10.84 7.22 8 -8 1 119.60 9.64 8 -8 0 7.03 6.85 8 -8 -3 53.82 7.98 8 -8 -4 13.96 7.05 8 -8 -5 46.49 7.79 8 -8 -6 46.73 7.80 8 -8 -7 121.29 9.64 -8 8 -8 10.04 4.99 8 -8 -8 17.73 6.86 -8 8 -9 15.52 5.25 8 -8 -9 18.35 6.70 -8 8 -10 6.95 5.35 8 -8 -10 5.77 6.00 -8 8 -11 13.81 5.72 8 -8 -11 6.96 5.84 -8 8 -12 20.44 5.98 8 -8 -12 18.76 5.96 -8 8 -13 14.18 6.18 8 -8 -13 5.51 5.40 -8 8 -14 18.66 6.47 8 -8 -14 13.57 5.38 -8 8 -15 25.55 6.90 8 -8 -15 4.95 4.94 -8 8 -16 11.83 6.82 8 -8 -16 6.24 4.75 -8 8 -17 32.65 7.35 -8 8 -18 27.92 7.42 -8 8 -19 20.18 7.20 -8 8 -20 15.06 7.08 -8 8 -21 108.95 9.19 -8 8 -21 151.55 7.93 -8 8 -22 7.74 6.88 -8 8 -22 27.51 5.31 -8 8 -23 7.96 6.69 -8 8 -23 17.15 4.95 -8 8 -24 1.46 6.29 -8 8 -25 21.71 6.40 8 -9 24 11.33 6.69 8 -9 23 17.33 7.04 8 -9 22 26.80 7.38 8 -9 21 20.62 7.52 8 -9 20 30.37 7.94 8 -9 19 19.09 7.77 8 -9 18 9.75 7.68 8 -9 17 12.03 7.74 8 -9 16 -0.28 7.92 8 -9 15 41.81 8.34 8 -9 15 49.97 6.14 8 -9 14 0.82 7.54 8 -9 14 1.72 5.23 8 -9 13 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1.79 5.94 -8 9 -23 8.34 4.56 8 -10 22 18.37 6.57 8 -10 21 29.47 6.89 8 -10 20 15.36 6.82 8 -10 19 17.68 7.10 8 -10 18 10.81 6.92 8 -10 17 19.30 7.06 8 -10 16 35.16 7.48 8 -10 15 14.18 7.10 8 -10 14 0.35 6.92 8 -10 14 2.94 5.06 8 -10 13 31.70 7.59 8 -10 13 34.75 6.08 8 -10 12 21.05 7.19 8 -10 12 15.19 6.00 8 -10 11 34.01 6.60 8 -10 10 13.28 6.36 8 -10 9 47.06 7.44 8 -10 8 22.21 7.12 8 -10 7 64.84 8.28 8 -10 6 40.68 7.79 8 -10 5 16.92 7.44 8 -10 4 34.05 7.98 8 -10 3 140.19 10.69 8 -10 2 21.43 7.90 8 -10 1 44.92 8.14 8 -10 0 98.75 9.29 8 -10 -3 136.97 10.58 8 -10 -4 19.02 7.69 8 -10 -5 21.21 7.71 8 -10 -6 47.98 8.25 8 -10 -7 57.45 8.35 -8 10 -8 29.93 5.98 8 -10 -8 35.06 7.71 -8 10 -9 53.15 6.64 8 -10 -9 46.87 7.75 -8 10 -10 10.26 6.00 8 -10 -10 16.46 6.69 -8 10 -11 31.23 6.49 8 -10 -11 32.98 6.68 -8 10 -12 14.14 6.39 8 -10 -12 15.96 6.00 -8 10 -13 29.29 6.66 8 -10 -13 27.04 6.10 -8 10 -14 -0.93 6.30 8 -10 -14 1.24 5.06 -8 10 -15 7.16 6.37 8 -10 -15 10.44 4.91 -8 10 -16 31.80 6.96 -8 10 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2.32 5.24 9 -6 21 29.01 8.65 9 6 -21 8.77 5.49 9 -6 20 98.00 9.81 9 6 -20 70.16 7.22 9 -6 19 106.90 10.11 9 6 -19 110.35 8.06 9 -6 18 5.14 8.18 9 6 -18 9.02 5.78 9 -6 17 0.10 8.19 9 6 -17 7.30 5.62 9 -6 16 3.20 8.24 9 6 -16 5.38 5.40 9 -6 15 40.72 8.82 9 -6 15 40.16 6.19 9 6 -15 36.44 5.95 9 -6 14 8.42 8.35 9 -6 14 8.46 5.55 9 6 -14 3.31 5.21 9 -6 13 107.74 10.16 9 -6 13 99.95 8.13 9 6 -13 112.84 7.54 9 -6 12 31.66 8.49 9 -6 12 22.37 6.44 9 6 -12 27.93 5.40 9 -6 11 7.40 8.17 9 -6 11 1.38 6.06 9 6 -11 5.78 4.76 9 -6 10 5.47 7.59 9 -6 10 7.18 6.44 9 6 -10 9.03 4.45 9 -6 9 51.59 8.18 9 -6 9 62.51 7.84 9 6 -9 52.45 5.55 9 -6 8 37.34 7.73 9 -6 8 42.55 7.63 9 6 -8 53.09 5.34 9 -6 7 7.75 6.74 9 -6 7 7.59 7.00 9 6 -7 5.75 4.50 9 -6 6 7.38 6.49 9 -6 6 6.22 6.89 9 6 -6 2.95 4.46 9 -6 5 71.61 7.42 9 -6 5 76.68 8.63 9 6 -5 71.88 5.85 9 -6 4 7.99 5.97 9 -6 4 3.45 6.96 9 6 -4 -6.50 4.38 9 -6 3 89.04 7.24 9 -6 3 91.21 5.84 9 6 -3 77.01 5.83 9 -6 2 112.98 7.38 9 -6 2 112.92 9.69 9 -6 2 111.18 6.24 9 6 -2 101.04 6.45 9 -6 1 34.34 7.76 9 6 -1 32.67 4.81 9 -6 1 33.87 4.45 9 -6 0 17.95 4.31 9 6 0 12.56 4.31 9 -6 0 16.52 7.32 9 -6 -1 5.71 4.21 9 6 1 10.40 4.19 9 -6 -2 54.07 5.16 9 6 2 55.08 5.11 9 -6 -3 68.96 8.83 9 6 3 77.04 5.56 9 -6 -3 63.34 5.36 9 -6 -4 6.97 7.13 9 -6 -4 1.30 4.15 9 -6 -5 88.78 8.94 9 -6 -5 78.81 5.96 9 -6 -6 7.52 7.08 9 -6 -6 2.74 4.31 9 -6 -7 5.29 6.95 9 -6 -7 7.40 4.30 9 -6 -8 69.50 8.25 9 -6 -8 63.36 5.53 9 -6 -9 51.68 7.47 9 -6 -9 41.83 5.11 9 -6 -10 6.25 6.31 9 -6 -10 9.91 4.68 9 -6 -11 9.10 6.22 9 -6 -11 12.20 4.88 9 -6 -12 52.70 7.04 9 -6 -12 52.99 6.01 9 -6 -13 103.81 8.03 9 -6 -13 116.02 7.45 9 -6 -14 16.15 5.49 9 -6 -14 16.89 5.46 9 -6 -15 12.73 5.46 9 -6 -15 12.27 5.49 9 -6 -16 9.48 5.08 9 -6 -16 8.36 5.43 9 -6 -17 6.35 5.57 9 -6 -18 15.01 5.87 9 -6 -19 80.91 7.54 9 -6 -20 65.07 7.14 9 -6 -21 6.85 5.43 9 -6 -22 4.01 5.26 9 -6 -23 0.09 5.07 9 -6 -24 2.06 5.13 9 -6 -25 9.07 5.17 9 -7 25 29.01 7.19 9 -7 24 27.75 7.71 9 -7 23 39.94 8.05 9 -7 22 13.39 7.84 9 -7 21 22.37 8.18 9 -7 20 11.78 8.16 9 -7 19 15.28 8.30 9 7 -19 13.93 4.87 9 -7 18 0.61 7.94 9 7 -18 12.50 4.99 9 -7 17 31.61 8.39 9 7 -17 29.60 5.38 9 -7 16 126.28 10.55 9 7 -16 138.36 7.90 9 -7 15 12.75 8.14 9 -7 15 14.92 5.56 9 7 -15 23.01 5.07 9 -7 14 18.29 8.44 9 -7 14 24.55 5.85 9 7 -14 22.26 4.91 9 -7 13 0.48 8.28 9 -7 13 -1.23 5.65 9 7 -13 5.47 4.50 9 -7 12 41.13 8.73 9 -7 12 45.29 6.81 9 7 -12 51.58 5.35 9 -7 11 8.15 7.83 9 -7 11 -0.53 6.22 9 7 -11 11.97 4.27 9 -7 10 8.70 7.52 9 -7 10 8.39 6.36 9 7 -10 11.51 4.29 9 -7 9 21.90 7.50 9 -7 9 20.56 6.78 9 7 -9 8.89 4.43 9 -7 8 28.43 7.24 9 -7 8 35.65 7.46 9 7 -8 18.48 4.68 9 -7 7 173.34 9.93 9 -7 7 195.65 11.32 9 7 -7 177.10 8.17 9 -7 6 28.89 6.80 9 -7 6 22.69 7.46 9 7 -6 24.45 4.44 9 -7 5 35.57 6.65 9 7 -5 25.19 4.41 9 -7 5 38.73 8.09 9 -7 4 54.81 6.68 9 -7 4 59.05 8.67 9 7 -4 51.15 4.90 9 -7 3 67.60 8.73 9 7 -3 68.21 5.18 9 7 -2 2.28 3.71 9 -7 2 8.81 7.68 9 -7 1 135.25 10.39 9 7 -1 142.13 6.73 9 7 0 3.75 3.58 9 -7 0 -0.76 6.86 9 7 1 140.25 6.75 9 -7 -3 80.45 8.91 9 -7 -4 47.69 8.32 9 -7 -5 10.36 7.38 9 -7 -6 13.32 7.29 9 -7 -7 151.40 10.54 9 -7 -8 27.32 7.43 9 -7 -9 8.59 6.66 9 -7 -10 4.87 6.43 9 -7 -11 7.27 6.10 9 -7 -12 61.84 7.51 9 -7 -13 0.72 5.73 9 -7 -14 28.20 6.02 9 -7 -15 26.11 5.65 9 -7 -16 110.49 7.58 9 -8 24 12.11 6.66 9 -8 23 13.33 7.07 9 -8 22 32.80 7.60 9 -8 21 16.63 7.58 9 -8 20 21.49 7.85 9 -8 19 1.06 7.48 9 -8 18 1.76 7.51 9 -8 17 48.67 8.47 9 -8 16 0.29 7.92 9 -8 15 4.26 7.87 9 -8 15 4.09 5.29 9 -8 14 6.76 8.06 9 -8 14 3.96 5.44 9 -8 13 51.01 8.64 9 -8 13 55.30 7.06 9 -8 12 6.86 7.61 9 -8 12 17.52 6.16 9 -8 11 29.51 7.72 9 -8 11 24.39 6.46 9 -8 10 24.71 7.57 9 -8 10 24.86 6.67 9 -8 9 55.93 7.91 9 -8 9 63.51 7.80 9 -8 8 4.45 6.41 9 -8 8 4.21 6.70 9 -8 7 5.34 6.20 9 -8 7 5.98 6.87 9 -8 6 39.92 7.94 9 -8 5 56.50 8.57 9 -8 4 5.36 7.34 9 -8 3 -0.25 7.37 9 -8 2 124.03 10.39 9 -8 1 87.93 9.26 9 -8 0 22.20 7.38 9 -8 -3 3.79 7.30 9 -8 -4 7.77 7.39 9 -8 -5 34.79 7.99 9 -8 -6 46.36 8.37 9 -8 -7 -1.01 7.42 9 -8 -8 6.76 6.77 9 -8 -9 51.79 7.70 9 -8 -10 11.16 6.64 9 -8 -11 19.18 6.51 9 -8 -12 10.25 6.17 9 -8 -13 55.29 6.93 9 -8 -14 2.87 5.35 9 -8 -15 3.69 5.05 9 -8 -16 1.62 4.76 -9 8 -21 9.65 4.95 -9 8 -22 16.11 4.68 9 -9 21 11.97 6.78 9 -9 20 62.89 7.79 9 -9 19 45.10 7.66 9 -9 18 0.92 7.01 9 -9 17 10.42 7.20 9 -9 16 0.18 7.11 9 -9 15 6.86 7.37 9 -9 14 20.96 7.42 9 -9 14 18.96 5.37 9 -9 13 73.77 8.44 9 -9 13 63.92 7.06 9 -9 12 55.93 8.10 9 -9 12 61.77 7.20 9 -9 11 23.50 7.16 9 -9 11 23.15 6.36 9 -9 10 18.82 6.49 9 -9 9 39.16 7.48 9 -9 8 110.81 9.36 9 -9 7 5.01 6.91 9 -9 6 7.69 7.30 9 -9 5 4.75 7.34 9 -9 4 11.14 7.57 9 -9 3 32.26 7.93 9 -9 2 10.08 7.62 9 -9 1 22.96 7.48 9 -9 0 59.41 8.22 9 -9 -3 18.51 7.99 9 -9 -4 11.06 7.61 9 -9 -5 14.93 7.47 9 -9 -6 5.78 7.32 9 -9 -7 11.43 7.47 9 -9 -8 130.76 10.02 9 -9 -9 45.04 7.84 9 -9 -10 19.82 6.84 9 -9 -11 13.26 6.31 9 -9 -12 38.23 6.83 9 -9 -13 50.95 6.85 9 -9 -14 20.73 5.64 9 -9 -15 10.80 5.01 -9 9 -19 52.99 6.13 -9 9 -20 74.96 6.29 -9 9 -21 12.34 4.83 9 -10 18 -3.69 6.04 9 -10 17 10.88 6.24 9 -10 16 33.44 6.72 9 -10 14 7.26 4.89 9 -10 13 11.34 5.17 9 -10 12 8.65 5.42 9 -10 11 34.11 6.23 9 -10 10 18.95 6.31 9 -10 9 8.29 6.32 9 -10 8 8.74 6.52 9 -10 7 12.51 7.05 9 -10 6 80.20 8.77 9 -10 5 26.97 7.61 9 -10 4 71.21 8.65 9 -10 3 7.91 7.23 9 -10 2 105.84 9.69 9 -10 1 12.12 7.34 9 -10 0 18.79 7.14 9 -10 -3 4.56 7.25 9 -10 -4 58.30 8.41 9 -10 -5 28.79 8.02 9 -10 -6 90.78 9.26 9 -10 -7 14.10 7.44 9 -10 -8 3.23 6.83 9 -10 -9 12.25 6.75 9 -10 -10 19.98 6.78 9 -10 -11 24.17 6.51 9 -10 -12 11.91 5.74 9 -10 -13 3.58 5.42 9 -10 -14 3.31 4.95 9 -10 -15 8.07 4.73 -9 10 -16 50.66 6.73 -9 10 -17 22.12 5.84 -9 10 -18 10.19 5.36 -9 10 -19 31.37 5.44 9 -11 13 1.82 4.80 9 -11 12 25.42 5.79 9 -11 11 24.78 5.80 9 -11 10 11.75 5.73 9 -11 9 27.10 6.50 9 -11 8 29.42 6.68 9 -11 7 12.56 6.99 9 -11 6 33.56 7.32 9 -11 5 38.49 7.81 9 -11 4 50.99 8.09 9 -11 3 21.67 7.45 9 -11 2 28.33 7.66 9 -11 1 31.31 7.75 9 -11 0 11.80 7.17 9 -11 -3 21.94 7.75 9 -11 -4 22.58 7.42 9 -11 -5 30.04 7.77 9 -11 -6 34.08 7.56 9 -11 -7 16.55 6.93 9 -11 -8 32.53 7.34 9 -11 -9 29.90 7.07 9 -11 -10 -0.77 5.72 9 -11 -11 9.39 5.74 9 -11 -12 26.01 5.81 9 -11 -13 5.89 4.94 -9 11 -14 26.83 6.20 9 -11 -14 9.04 4.78 -9 11 -15 16.68 5.92 -9 11 -16 31.59 5.83 9 -12 11 8.79 5.10 9 -12 10 7.68 5.30 9 -12 9 29.50 6.37 9 -12 8 51.64 7.23 9 -12 7 8.32 6.27 9 -12 6 10.48 6.60 9 -12 5 2.93 6.46 9 -12 4 13.52 6.97 9 -12 3 4.59 6.78 -9 12 2 9.08 5.88 9 -12 2 3.75 6.46 -9 12 1 20.48 6.25 9 -12 1 17.72 6.80 -9 12 0 16.41 6.50 9 -12 0 5.36 6.43 -9 12 -1 20.65 6.61 -9 12 -2 7.86 6.42 -9 12 -3 18.49 6.70 9 -12 -3 8.67 6.87 -9 12 -4 21.43 6.89 9 -12 -4 19.77 7.06 -9 12 -5 7.63 6.73 9 -12 -5 6.97 6.67 -9 12 -6 18.28 6.92 9 -12 -6 15.52 6.62 -9 12 -7 14.65 6.80 9 -12 -7 6.34 6.30 -9 12 -8 44.30 7.26 9 -12 -8 37.90 6.92 -9 12 -9 28.82 6.84 9 -12 -9 9.16 6.11 -9 12 -10 22.57 6.47 9 -12 -10 10.97 5.57 -9 12 -11 17.20 6.29 9 -12 -11 10.94 5.35 9 -13 7 2.34 5.50 9 -13 6 4.98 5.70 9 -13 5 24.58 6.18 9 -13 4 13.45 6.16 9 -13 3 39.64 6.82 9 -13 2 20.84 6.51 9 -13 1 23.00 6.53 9 -13 0 0.95 5.81 -9 13 -1 26.48 5.90 -9 13 -2 24.42 6.04 -9 13 -3 28.80 6.14 9 -13 -3 32.84 6.85 -9 13 -4 20.13 6.03 9 -13 -4 15.15 6.36 -9 13 -5 21.44 6.31 9 -13 -5 22.01 6.41 9 -13 -6 9.48 5.96 9 -13 -7 1.28 5.73 10 0 0 12.46 7.67 10 0 0 21.16 5.82 10 0 1 -1.63 5.77 10 0 1 1.70 7.57 10 0 -1 -0.50 6.07 10 0 2 3.88 6.03 10 0 2 3.00 7.85 10 0 -2 0.90 6.21 10 0 3 17.26 5.90 10 0 3 17.23 8.03 10 0 -3 17.90 8.06 10 0 -3 14.61 6.14 10 0 4 -0.07 5.72 10 0 4 2.44 7.66 10 0 -4 9.94 7.41 10 0 -4 4.23 5.49 10 0 5 16.08 6.06 10 0 5 16.42 8.10 10 0 -5 17.73 7.55 10 0 -5 12.85 5.87 10 0 6 8.45 5.87 10 0 6 9.16 7.57 10 0 -6 0.49 7.09 10 0 -6 4.36 5.54 10 0 7 8.82 5.96 10 0 7 2.84 7.16 10 0 -7 0.36 6.77 10 0 -7 3.49 5.72 10 0 8 11.31 7.13 10 0 -8 5.82 6.74 10 0 -8 6.09 6.26 10 0 9 134.71 9.86 10 0 -9 132.68 9.61 10 0 -9 134.52 8.96 10 0 -10 39.24 6.99 10 0 10 33.77 7.01 10 0 -10 43.23 6.97 10 0 11 18.27 6.61 10 0 -11 22.40 6.58 10 0 -12 1.78 6.44 10 0 -13 77.17 8.22 10 0 -14 -2.30 6.87 10 0 -15 14.90 7.24 10 0 16 15.43 9.46 10 0 -16 12.84 7.08 10 0 17 -13.14 9.86 10 0 -17 5.80 7.30 10 0 18 -11.34 9.75 10 0 -18 24.10 7.73 10 0 19 18.05 9.63 10 0 -19 40.13 8.07 10 0 20 -0.78 9.39 10 0 -20 -1.33 7.08 10 0 21 3.84 9.20 10 0 -21 -4.26 7.59 10 0 22 -5.23 9.08 10 0 -22 -1.12 7.42 10 0 -23 2.02 7.21 10 0 -24 7.85 6.66 10 0 -25 -1.84 6.60 10 0 -26 2.83 6.22 10 0 -27 9.24 6.07 10 0 -28 9.88 5.66 10 1 -28 8.08 5.50 10 1 -27 24.09 6.31 10 -1 26 14.16 7.58 10 -1 25 8.87 7.96 10 -1 24 15.64 8.65 10 -1 23 69.70 10.01 10 -1 22 -0.65 9.22 10 -1 21 2.21 9.03 10 -1 20 9.34 9.10 10 -1 19 80.11 10.55 10 -1 18 -13.12 9.88 10 -1 14 41.90 9.95 10 -1 14 27.48 6.22 10 -1 13 167.62 12.24 10 -1 13 128.61 9.01 10 -1 12 58.28 10.05 10 -1 12 36.61 7.02 10 -1 11 56.06 9.89 10 -1 11 29.32 7.06 10 -1 10 20.32 8.93 10 -1 10 14.23 6.95 10 -1 9 87.81 8.93 10 -1 8 24.65 7.53 10 -1 7 23.43 7.72 10 -1 7 34.84 6.62 10 -1 6 9.72 5.87 10 -1 6 5.85 7.48 10 1 -5 39.34 7.96 10 -1 5 40.27 8.31 10 -1 5 50.48 6.33 10 -1 4 3.11 5.70 10 -1 4 8.35 7.40 10 1 -4 6.30 7.20 10 -1 3 3.61 5.68 10 -1 3 5.37 7.67 10 1 -3 7.01 7.41 10 -1 2 7.77 5.77 10 -1 2 5.96 7.78 10 -1 1 59.46 9.22 10 -1 1 63.71 6.87 10 -1 0 9.51 7.73 10 1 0 17.72 7.84 10 -1 0 11.30 5.49 10 1 1 69.59 9.09 10 -1 -1 63.24 6.55 10 1 2 28.75 8.21 10 -1 -2 18.64 6.13 10 -1 -3 15.96 8.05 10 1 3 19.68 8.01 10 -1 -3 12.76 5.92 10 -1 -4 0.76 7.55 10 1 4 8.76 7.64 10 -1 -4 5.42 5.59 10 -1 -5 17.48 7.63 10 1 5 14.42 7.90 10 -1 -5 16.81 5.63 10 -1 -6 5.06 7.10 10 -1 -6 3.91 5.63 10 -1 -7 27.06 7.46 10 -1 -7 26.44 6.10 10 -1 -8 15.90 6.93 10 -1 -8 12.70 5.86 10 -1 -9 116.71 9.29 10 -1 -9 117.74 8.39 10 -1 -10 4.50 6.47 10 -1 -10 10.33 6.10 10 -1 -11 21.02 6.62 10 -1 -11 16.04 6.62 10 -1 -12 18.30 6.15 10 -1 -12 18.21 6.72 10 -1 -13 139.79 8.99 10 -1 -13 178.87 10.12 10 -1 -14 38.09 7.50 10 -1 -15 75.66 8.34 10 -1 -16 63.07 8.32 10 -1 -17 31.38 7.54 10 -1 -18 4.98 6.79 10 -1 -19 139.14 10.10 10 -1 -20 18.63 7.30 10 -1 -21 2.89 7.16 10 -1 -22 0.89 7.26 10 -1 -23 29.57 7.22 10 -1 -24 2.30 6.78 10 -1 -25 0.43 6.55 10 -1 -26 3.63 6.12 10 -1 -27 34.52 6.55 10 -1 -28 7.40 5.52 10 -2 27 18.50 7.11 10 2 -27 19.97 5.84 10 -2 26 19.09 7.49 10 2 -26 11.95 6.14 10 -2 25 1.72 8.05 10 2 -25 -2.42 6.23 10 -2 24 -1.29 8.16 10 2 -24 -1.40 6.59 10 -2 23 5.95 8.68 10 2 -23 -9.42 6.97 10 -2 22 55.16 9.65 10 2 -22 29.00 7.21 10 -2 21 5.54 8.97 10 2 -21 1.10 7.02 10 2 -20 -3.05 7.23 10 2 -19 55.66 8.06 10 2 -18 49.27 8.05 10 2 -17 38.83 7.77 10 -2 16 77.91 10.34 10 2 -16 67.90 8.51 10 -2 15 55.61 10.04 10 -2 15 36.55 6.25 10 2 -15 53.45 7.76 10 -2 14 51.00 9.92 10 -2 14 30.79 6.53 10 2 -14 41.99 7.33 10 -2 13 28.81 9.49 10 -2 13 10.53 6.22 10 2 -13 18.23 6.80 10 -2 12 112.13 9.06 10 2 -12 123.23 8.86 10 -2 11 21.93 9.35 10 -2 11 4.97 6.39 10 2 -11 7.64 6.31 10 -2 10 46.89 9.63 10 -2 10 46.80 7.57 10 2 -10 45.07 6.67 10 -2 9 71.02 9.58 10 -2 9 65.10 8.46 10 2 -9 64.83 7.11 10 -2 8 50.62 9.18 10 -2 8 46.21 8.24 10 2 -8 40.56 6.35 10 -2 7 11.32 5.82 10 -2 7 5.67 7.24 10 2 -7 5.75 5.60 10 -2 6 119.15 10.39 10 -2 6 132.42 8.13 10 2 -6 113.22 7.91 10 -2 5 106.72 9.92 10 -2 5 104.50 7.52 10 2 -5 100.21 7.41 10 -2 4 4.66 5.37 10 -2 4 2.74 7.68 10 2 -4 4.16 5.37 10 -2 3 10.96 5.65 10 -2 3 9.23 8.02 10 2 -3 7.84 5.86 10 -2 2 25.05 5.92 10 -2 2 27.65 8.36 10 2 -2 29.86 6.04 10 -2 1 -0.63 5.48 10 -2 1 -0.13 7.81 10 2 -1 -2.33 5.40 10 -2 0 133.88 8.05 10 2 0 148.29 8.24 10 2 1 17.74 5.80 10 -2 -1 7.49 5.58 10 2 2 32.35 6.06 10 -2 -2 33.02 6.19 10 2 3 8.34 5.72 10 -2 -3 12.31 8.14 10 -2 -3 7.80 5.90 10 2 4 6.90 5.67 10 -2 -4 4.71 7.85 10 -2 -4 6.84 5.66 10 -2 -5 42.53 8.57 10 2 5 45.87 6.37 10 -2 -5 43.94 6.21 10 -2 -6 116.42 10.00 10 2 6 122.65 8.01 10 -2 -6 106.78 7.51 10 2 7 21.29 6.32 10 -2 -7 5.40 7.10 10 -2 -7 8.34 5.54 10 -2 -8 33.37 7.51 10 -2 -8 35.68 6.38 10 -2 -9 56.91 7.87 10 -2 -9 55.78 7.06 10 -2 -10 31.14 7.10 10 -2 -10 29.25 6.36 10 -2 -11 10.65 6.25 10 -2 -11 12.55 6.13 10 -2 -12 79.92 7.81 10 -2 -12 91.93 8.05 10 -2 -13 36.79 6.50 10 -2 -13 32.30 7.11 10 -2 -14 29.58 5.99 10 -2 -14 40.79 7.51 10 -2 -15 31.49 5.73 10 -2 -15 38.61 7.63 10 -2 -16 103.42 8.96 10 -2 -17 61.22 8.27 10 -2 -18 50.24 7.99 10 -2 -19 56.53 8.21 10 -2 -20 4.87 6.91 10 -2 -21 -2.41 7.15 10 -2 -22 34.61 7.42 10 -2 -23 3.37 6.57 10 -2 -24 6.43 6.44 10 -2 -25 -4.28 6.28 10 -2 -26 0.50 5.90 10 -2 -27 17.19 5.87 10 -3 27 16.67 6.85 10 3 -27 17.45 5.57 10 -3 26 14.40 7.47 10 3 -26 15.79 5.87 10 -3 25 21.63 7.95 10 3 -25 12.09 6.10 10 -3 24 14.05 8.22 10 3 -24 -3.63 6.15 10 -3 23 31.37 8.98 10 3 -23 7.93 6.23 10 3 -22 -1.39 6.66 10 3 -21 14.25 6.88 10 3 -20 20.28 6.94 10 -3 19 1.99 8.70 10 3 -19 20.14 7.10 10 -3 18 15.75 9.06 10 3 -18 47.49 7.66 10 -3 17 7.53 8.99 10 3 -17 20.44 7.11 10 -3 16 10.46 9.18 10 3 -16 16.02 7.06 10 -3 15 18.72 9.32 10 -3 15 2.12 5.41 10 3 -15 4.13 6.53 10 -3 14 20.01 9.23 10 -3 14 12.74 5.99 10 3 -14 10.13 6.49 10 -3 13 44.01 9.54 10 -3 13 39.57 6.88 10 3 -13 47.04 7.02 10 -3 12 22.11 9.30 10 -3 12 11.14 6.51 10 3 -12 15.00 6.16 10 -3 11 13.42 8.93 10 -3 11 3.86 6.34 10 3 -11 5.52 5.90 10 -3 10 44.51 9.13 10 -3 10 37.14 7.50 10 3 -10 31.94 6.30 10 -3 9 147.10 11.03 10 -3 9 140.53 10.25 10 3 -9 130.56 8.41 10 -3 8 66.82 9.40 10 -3 8 58.42 8.58 10 3 -8 63.82 6.65 10 -3 7 31.24 8.26 10 -3 7 27.62 7.99 10 3 -7 28.23 5.92 10 -3 6 17.65 5.50 10 -3 6 11.59 7.76 10 3 -6 12.35 5.46 10 -3 5 8.52 5.49 10 -3 5 11.23 7.76 10 3 -5 9.74 5.43 10 -3 4 61.69 9.22 10 -3 4 58.58 6.29 10 3 -4 44.64 6.28 10 -3 3 183.89 12.46 10 3 -3 169.42 9.09 10 -3 3 172.08 8.79 10 -3 2 110.42 10.47 10 -3 2 106.92 7.41 10 3 -2 102.25 7.39 10 -3 1 39.05 8.77 10 -3 1 45.07 6.02 10 3 -1 53.54 6.20 10 3 0 4.98 5.51 10 -3 0 1.24 5.37 10 -3 0 3.15 7.77 10 3 1 76.21 6.84 10 -3 -1 78.03 6.80 10 3 2 138.07 8.13 10 -3 -2 128.44 7.90 10 -3 -3 160.22 12.00 10 -3 -3 158.81 8.95 10 3 3 182.78 9.01 10 -3 -4 50.05 8.93 10 3 4 35.38 5.86 10 -3 -4 31.19 6.09 10 3 5 15.16 5.58 10 -3 -5 11.76 7.82 10 -3 -5 13.39 5.50 10 3 6 24.42 5.73 10 -3 -6 14.31 7.63 10 -3 -6 19.13 5.38 10 -3 -7 36.45 8.24 10 -3 -7 29.94 5.92 10 -3 -8 83.61 8.88 10 -3 -8 78.75 7.10 10 -3 -9 148.86 10.08 10 -3 -9 135.18 8.52 10 -3 -10 33.78 7.50 10 -3 -10 33.49 6.54 10 -3 -11 -0.89 6.16 10 -3 -11 -0.42 5.71 10 -3 -12 20.64 6.22 10 -3 -12 29.36 6.72 10 -3 -13 29.53 6.21 10 -3 -13 33.56 6.63 10 -3 -14 14.48 5.52 10 -3 -14 16.71 6.51 10 -3 -15 10.39 5.37 10 -3 -15 15.15 6.73 10 -3 -16 10.52 5.16 10 -3 -16 15.21 6.87 10 -3 -17 11.07 6.91 10 -3 -18 38.72 7.59 10 -3 -19 18.86 6.94 10 -3 -20 13.54 7.02 10 -3 -21 11.90 6.70 10 -3 -22 1.69 6.62 10 -3 -23 15.70 6.56 10 -3 -24 -3.69 6.46 10 -3 -25 3.40 5.91 10 -3 -26 11.04 5.82 10 -3 -27 23.56 5.72 10 -4 26 5.13 6.75 10 4 -26 3.33 5.15 10 4 -25 -0.94 5.22 10 4 -24 0.39 5.47 10 -4 22 21.66 8.77 10 4 -22 5.83 6.04 10 -4 21 13.24 8.61 10 4 -21 8.22 6.24 10 -4 20 43.23 9.22 10 4 -20 49.10 7.29 10 -4 19 -0.21 8.32 10 4 -19 11.69 6.38 10 -4 18 2.89 8.55 10 4 -18 24.96 6.78 10 -4 17 -4.28 8.87 10 4 -17 2.95 6.38 10 -4 16 56.69 9.39 10 4 -16 57.34 7.32 10 -4 15 92.15 10.13 10 -4 15 60.02 6.87 10 4 -15 78.06 7.75 10 -4 14 11.16 8.42 10 -4 14 0.73 5.63 10 4 -14 7.74 6.29 10 -4 13 21.30 9.03 10 -4 13 15.89 6.35 10 4 -13 16.97 6.14 10 -4 12 75.33 9.86 10 -4 12 68.50 7.91 10 4 -12 75.36 7.37 10 -4 11 12.36 8.73 10 -4 11 8.69 6.68 10 4 -11 6.96 5.57 10 -4 10 23.19 8.58 10 -4 10 23.27 7.30 10 4 -10 23.80 5.94 10 -4 9 5.18 8.27 10 -4 9 1.34 7.01 10 4 -9 4.57 5.35 10 -4 8 104.44 9.68 10 -4 8 100.29 9.60 10 4 -8 81.36 6.93 10 -4 7 100.43 9.41 10 -4 7 108.45 10.03 10 4 -7 106.61 7.43 10 -4 6 42.52 8.18 10 -4 6 48.70 8.76 10 4 -6 35.33 5.96 10 -4 5 29.89 8.30 10 -4 5 33.35 5.58 10 4 -5 15.43 5.65 10 -4 4 44.57 8.77 10 -4 4 41.39 5.60 10 4 -4 36.26 6.09 10 -4 3 0.58 4.73 10 -4 3 -1.61 8.14 10 4 -3 -4.78 5.19 10 -4 2 0.79 4.89 10 -4 2 0.54 7.91 10 4 -2 -3.27 5.23 10 4 -1 32.11 5.57 10 -4 1 38.44 8.74 10 -4 1 36.61 5.59 10 -4 0 31.74 5.41 10 4 0 38.17 5.75 10 -4 0 24.83 8.25 10 -4 -1 27.41 5.42 10 4 1 30.35 5.52 10 4 2 2.71 5.09 10 -4 -2 -0.82 5.06 10 4 3 3.32 4.96 10 -4 -3 3.54 7.99 10 -4 -3 -0.35 5.13 10 -4 -4 45.94 8.84 10 -4 -4 29.03 5.90 10 4 4 43.22 5.91 10 4 5 13.70 5.41 10 -4 -5 6.72 7.94 10 -4 -5 5.50 5.46 10 -4 -6 22.87 8.00 10 -4 -6 23.04 5.48 10 -4 -7 103.27 9.68 10 -4 -7 86.76 7.07 10 -4 -8 66.39 8.62 10 -4 -8 58.71 6.42 10 -4 -9 6.91 6.86 10 -4 -9 6.08 5.39 10 -4 -10 15.34 6.87 10 -4 -10 16.68 5.81 10 -4 -11 9.14 6.49 10 -4 -11 8.74 5.58 10 -4 -12 62.96 7.65 10 -4 -12 72.75 7.22 10 -4 -13 11.29 6.02 10 -4 -13 6.66 5.95 10 -4 -14 3.30 5.49 10 -4 -14 4.97 6.00 10 -4 -15 52.87 6.40 10 -4 -15 83.38 7.72 10 -4 -16 48.58 6.02 10 -4 -16 66.90 7.59 10 -4 -17 5.94 6.30 10 -4 -18 33.88 7.08 10 -4 -19 8.40 6.59 10 -4 -20 47.95 7.08 10 -4 -21 3.48 6.06 10 -4 -22 11.37 6.05 10 -4 -23 -5.10 5.86 10 -4 -24 -5.94 5.89 10 -4 -25 3.57 5.37 10 -4 -26 8.96 5.37 10 -5 24 22.39 7.68 10 5 -24 16.54 5.32 10 -5 23 -3.18 7.68 10 5 -23 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9.79 10 5 -3 67.64 6.29 10 -5 3 68.40 5.97 10 -5 2 67.74 9.30 10 -5 2 68.25 5.87 10 5 -2 56.30 6.05 10 5 -1 247.23 10.23 10 -5 1 238.78 9.87 10 -5 0 14.97 4.98 10 5 0 10.13 5.11 10 -5 0 8.77 7.60 10 -5 -1 208.43 9.45 10 5 1 217.95 9.48 10 5 2 57.64 5.91 10 -5 -2 64.31 5.97 10 -5 -3 87.44 9.87 10 -5 -3 75.97 6.35 10 5 3 92.06 6.60 10 5 4 22.07 5.15 10 -5 -4 16.83 8.21 10 -5 -4 13.12 4.95 10 -5 -5 7.66 7.83 10 -5 -5 7.49 5.01 10 -5 -6 33.55 8.41 10 -5 -6 23.01 5.63 10 -5 -7 39.89 8.15 10 -5 -7 25.06 5.61 10 -5 -8 6.15 7.35 10 -5 -8 9.24 5.32 10 -5 -9 10.68 7.02 10 -5 -9 16.91 5.28 10 -5 -10 27.76 7.34 10 -5 -10 22.36 5.37 10 -5 -11 39.56 7.38 10 -5 -11 34.65 5.94 10 -5 -12 26.41 6.92 10 -5 -12 35.21 6.00 10 -5 -13 33.17 6.74 10 -5 -13 33.97 6.24 10 -5 -14 8.41 5.64 10 -5 -14 9.54 5.81 10 -5 -15 27.04 5.81 10 -5 -15 40.06 6.45 10 -5 -16 -0.90 4.75 10 -5 -16 4.17 5.67 10 -5 -17 37.01 6.46 10 -5 -18 9.44 5.97 10 -5 -19 7.79 5.54 10 -5 -20 10.01 5.73 10 -5 -21 9.95 5.65 10 -5 -22 26.26 5.71 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10 -7 -4 68.69 9.42 10 -7 -5 5.66 7.75 10 -7 -6 12.34 7.90 10 -7 -7 84.69 9.37 10 -7 -8 54.37 8.57 10 -7 -9 14.44 7.36 10 -7 -10 7.67 6.68 10 -7 -11 21.03 7.00 10 -7 -12 41.11 7.06 10 -7 -13 11.13 6.17 10 -7 -14 7.04 5.65 10 -7 -15 13.08 5.39 10 -8 20 5.66 6.59 10 -8 19 4.85 6.52 10 -8 18 18.63 7.12 10 -8 17 5.47 6.95 10 -8 16 7.61 7.20 10 -8 15 14.03 7.38 10 -8 14 75.16 8.53 10 -8 14 71.39 7.07 10 -8 13 21.40 7.51 10 -8 13 22.09 5.80 10 -8 12 16.81 7.53 10 -8 12 18.85 6.21 10 -8 11 7.40 7.26 10 -8 11 1.56 6.17 10 -8 10 104.21 8.92 10 -8 10 109.77 9.13 10 -8 9 15.95 7.01 10 -8 9 5.84 6.74 10 -8 8 4.66 6.92 10 -8 7 9.50 7.09 10 -8 6 86.16 9.38 10 -8 5 12.19 7.62 10 -8 4 1.87 7.45 10 -8 3 0.68 7.69 10 -8 2 0.55 7.35 10 -8 1 42.34 8.38 10 -8 0 85.86 9.24 10 -8 -3 3.62 7.65 10 -8 -4 9.56 7.74 10 -8 -5 15.37 8.06 10 -8 -6 83.61 9.49 10 -8 -7 30.83 7.90 10 -8 -8 6.34 7.04 10 -8 -9 10.79 6.96 10 -8 -10 99.96 8.93 10 -8 -11 12.42 6.83 10 -8 -12 20.77 6.42 10 -8 -13 19.35 6.13 10 -8 -14 74.68 7.23 10 -8 -15 8.15 5.15 10 -9 17 2.86 6.19 10 -9 16 5.18 6.24 10 -9 15 33.71 6.90 10 -9 14 5.74 6.53 10 -9 14 7.72 5.07 10 -9 13 24.49 5.82 10 -9 12 -1.55 5.35 10 -9 11 9.12 5.79 10 -9 10 5.05 6.05 10 -9 9 55.80 7.50 10 -9 8 43.98 7.76 10 -9 7 9.83 7.05 10 -9 6 3.27 7.24 10 -9 5 18.80 7.53 10 -9 4 82.37 9.41 10 -9 3 42.75 8.15 10 -9 2 11.27 7.38 10 -9 1 7.55 6.96 10 -9 0 66.09 8.55 10 -9 -3 33.79 8.08 10 -9 -4 55.13 8.58 10 -9 -5 6.35 7.43 10 -9 -6 5.44 7.10 10 -9 -7 8.70 7.06 10 -9 -8 54.25 8.08 10 -9 -9 51.98 7.69 10 -9 -10 2.48 6.24 10 -9 -11 13.95 6.37 10 -9 -12 -3.33 5.78 10 -9 -13 27.49 5.89 10 -9 -14 1.17 5.05 10 -10 13 1.85 4.92 10 -10 12 15.65 5.49 10 -10 11 44.15 6.58 10 -10 10 18.93 5.98 10 -10 9 7.02 5.96 10 -10 8 2.06 6.32 10 -10 7 8.19 6.62 10 -10 6 40.38 7.47 10 -10 5 3.37 6.88 10 -10 4 15.32 7.14 10 -10 3 8.20 7.29 10 -10 2 21.46 7.62 10 -10 1 8.05 7.01 10 -10 0 17.30 7.04 10 -10 -3 6.05 7.07 10 -10 -4 9.84 7.23 10 -10 -5 8.25 7.06 10 -10 -6 42.32 7.90 10 -10 -7 16.58 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-3 26.85 5.09 13 -5 3 18.27 7.73 13 5 -2 27.87 5.16 13 -5 2 19.34 7.95 13 -5 1 11.38 7.45 13 -5 0 0.29 6.81 13 -5 -2 16.47 4.63 13 -5 -3 21.03 4.75 13 -5 -3 21.89 7.89 13 -5 -4 4.23 4.43 13 -5 -4 1.44 7.20 13 -5 -5 32.54 8.01 13 -5 -5 35.10 5.13 13 -5 -6 17.34 4.78 13 -5 -6 13.52 7.37 13 -5 -7 4.69 4.58 13 -5 -7 -0.92 6.99 13 -5 -8 9.62 4.57 13 -5 -8 4.07 6.70 13 -5 -9 7.92 4.57 13 -5 -9 10.05 6.44 13 -5 -10 4.23 4.54 13 -5 -10 7.92 6.00 13 -5 -11 1.46 4.35 13 -5 -11 5.23 5.39 13 -5 -12 5.47 4.44 13 -6 9 9.84 5.93 13 -6 8 7.03 6.14 13 6 -7 7.19 4.04 13 -6 7 13.18 6.69 13 6 -6 15.75 4.30 13 -6 6 10.58 6.80 13 -6 5 18.17 7.16 13 6 -5 25.87 4.51 13 -6 4 -0.52 6.75 13 -6 3 4.13 7.00 13 -6 2 6.75 7.09 13 -6 1 4.11 6.91 13 -6 0 0.55 6.55 13 -6 -3 7.99 7.23 13 -6 -4 7.19 7.07 13 -6 -5 10.94 6.98 13 -6 -6 5.60 6.81 13 -6 -7 6.92 6.75 13 -6 -8 -1.68 6.23 13 -6 -9 9.17 5.98 13 -6 -10 4.23 5.66 13 -7 7 11.33 6.09 13 -7 6 4.90 6.19 13 -7 5 5.52 6.25 13 -7 4 6.67 6.44 13 -7 3 2.88 6.62 13 -7 2 3.98 6.51 13 -7 1 16.18 6.71 13 -7 0 3.03 6.37 13 -7 -3 5.44 6.47 13 -7 -4 12.17 6.62 13 -7 -5 8.03 6.67 13 -7 -6 2.78 6.02 13 -7 -7 15.01 6.32 14 0 -1 58.26 6.30 14 0 -2 52.53 6.13 14 0 -3 81.16 6.57 14 0 -4 6.78 5.00 14 0 -5 16.49 5.09 14 0 -6 102.83 7.09 14 0 -7 29.60 5.51 14 0 -8 4.37 5.09 14 0 -9 19.08 5.24 14 0 -10 0.67 4.94 14 0 -11 0.74 4.82 14 -1 -1 11.48 5.16 14 -1 -2 8.20 5.05 14 -1 -3 33.51 5.52 14 -1 -4 16.31 5.21 14 -1 -5 4.22 4.83 14 -1 -6 17.17 5.26 14 -1 -7 12.74 5.12 14 -1 -8 39.26 5.65 14 -1 -9 9.88 5.09 14 -1 -10 6.15 4.90 14 -1 -11 6.90 4.84 14 2 -10 15.68 5.02 14 2 -9 18.68 5.01 14 2 -8 8.59 4.82 14 2 -7 23.23 5.05 14 2 -6 31.85 5.30 14 2 -5 20.40 5.06 14 2 -4 7.71 4.97 14 2 -3 5.19 4.88 14 2 -2 59.92 6.00 14 2 -1 19.97 5.19 14 -2 -1 25.64 5.35 14 -2 -2 59.01 5.96 14 -2 -3 8.58 4.94 14 -2 -4 8.26 4.82 14 -2 -5 21.40 5.17 14 -2 -6 18.32 4.94 14 -2 -7 23.01 5.14 14 -2 -8 5.49 4.80 14 -2 -9 20.16 5.08 14 -2 -10 22.08 5.02 14 3 -8 19.55 4.76 14 3 -7 18.56 4.76 14 3 -6 11.88 4.79 14 3 -5 15.19 4.85 14 3 -4 45.67 5.54 14 3 -3 15.34 4.86 14 3 -2 43.67 5.49 14 -3 -2 38.88 5.42 14 -3 -3 16.02 4.93 14 -3 -4 43.92 5.40 14 -3 -5 21.65 4.83 14 -3 -6 11.16 4.63 14 -3 -7 11.83 4.52 14 -3 -8 22.95 4.88 14 4 -4 27.41 4.71 14 -4 3 13.26 6.77 14 -4 2 3.97 6.39 14 -4 1 13.01 6.62 14 -4 0 1.05 6.11 14 -4 -3 15.34 6.63 14 -4 -4 19.93 4.53 14 -5 2 6.41 6.22 14 -5 1 2.88 5.98 14 -5 0 1.64 5.79 0 0 0 0.00 0.00 TITL 0217-1_auto in P2(1)2(1)2(1) REM P2(1)2(1)2(1) (#19 in standard setting) CELL 1.34050 11.867265 13.775812 31.256000 90.0000 90.0000 90.0000 ZERR 95.00 0.000562 0.000689 0.001856 0.0000 0.0000 0.0000 LATT -1 SYMM -x+1/2,-y, z+1/2 SYMM -x, y+1/2,-z+1/2 SYMM x+1/2,-y+1/2,-z SFAC C H Cl Fe UNIT 95.00 95.00 95.00 95.00 REM CrysAlisPro recorded range (K): Min=99.6; max=108.1; aver:103.8 TEMP -169 TREF HKLF 4 END ; _shelx_hkl_checksum 93622 _shelx_fab_file ; 2 0 0 16.34 -0.15 4 0 0 -57.32 -0.16 6 0 0 -15.03 -0.16 8 0 0 4.48 0.50 10 0 0 6.20 1.18 12 0 0 -0.09 -0.31 1 1 0 -0.20 -106.44 2 1 0 24.46 0.05 3 1 0 -0.02 -78.84 4 1 0 0.86 -0.02 5 1 0 0.06 10.73 6 1 0 -2.88 0.01 7 1 0 -0.24 17.04 8 1 0 -0.64 -0.31 9 1 0 -0.41 3.64 10 1 0 -1.34 0.42 11 1 0 0.48 -3.76 12 1 0 2.06 0.01 13 1 0 -0.32 -3.84 0 2 0 148.41 -0.17 1 2 0 0.20 45.66 2 2 0 21.77 -0.14 3 2 0 0.18 -20.36 4 2 0 -49.76 -0.21 5 2 0 0.01 -8.99 6 2 0 -16.27 -0.05 7 2 0 0.02 1.10 8 2 0 5.69 0.27 9 2 0 -1.19 0.83 10 2 0 4.83 0.54 11 2 0 -0.10 1.14 12 2 0 0.67 -0.12 13 2 0 0.14 -1.36 1 3 0 -0.34 -68.16 2 3 0 55.57 0.06 3 3 0 0.01 -59.28 4 3 0 6.15 -0.06 5 3 0 -0.05 5.36 6 3 0 -9.13 0.03 7 3 0 0.05 16.75 8 3 0 -3.07 -0.55 9 3 0 -0.08 3.13 10 3 0 0.31 0.46 11 3 0 0.12 -4.41 12 3 0 2.22 0.09 13 3 0 -0.12 -1.26 0 4 0 71.40 0.09 1 4 0 0.00 56.82 2 4 0 17.48 -0.09 3 4 0 0.23 -23.22 4 4 0 -31.94 -0.05 5 4 0 -0.01 -16.99 6 4 0 -16.13 0.05 7 4 0 -0.09 -0.78 8 4 0 4.99 0.00 9 4 0 -0.88 3.62 10 4 0 5.48 -0.25 11 4 0 -0.17 2.19 12 4 0 -0.32 -0.06 13 4 0 0.08 -1.84 14 4 0 -1.03 0.03 1 5 0 -0.12 -25.19 2 5 0 58.06 0.10 3 5 0 -0.01 -31.52 4 5 0 10.90 -0.04 5 5 0 -0.09 -0.48 6 5 0 -10.36 0.11 7 5 0 0.17 13.13 8 5 0 -7.88 -0.31 9 5 0 0.33 2.80 10 5 0 1.84 0.16 11 5 0 0.08 -2.67 12 5 0 2.78 0.05 13 5 0 -0.08 -1.18 14 5 0 0.06 -0.04 0 6 0 22.55 0.08 1 6 0 -0.34 48.34 2 6 0 6.82 -0.03 3 6 0 0.23 -18.45 4 6 0 -14.13 -0.08 5 6 0 -0.11 -20.86 6 6 0 -12.57 0.12 7 6 0 -0.03 -2.44 8 6 0 3.23 0.10 9 6 0 -0.29 6.22 10 6 0 4.29 -0.50 11 6 0 -0.06 2.63 12 6 0 -0.23 -0.11 13 6 0 -0.02 -1.65 1 7 0 -0.01 -3.71 2 7 0 45.35 0.19 3 7 0 0.02 -10.88 4 7 0 12.82 -0.04 5 7 0 -0.16 -2.15 6 7 0 -10.10 0.17 7 7 0 0.09 7.88 8 7 0 -9.35 0.00 9 7 0 0.63 1.67 10 7 0 0.46 0.05 11 7 0 0.02 -0.45 12 7 0 3.77 -0.12 13 7 0 -0.01 -0.69 0 8 0 -3.39 -0.13 1 8 0 -0.33 35.17 2 8 0 0.44 0.09 3 8 0 0.15 -12.08 4 8 0 -3.71 -0.02 5 8 0 -0.05 -20.59 6 8 0 -6.57 0.10 7 8 0 0.05 -3.70 8 8 0 0.38 0.13 9 8 0 -0.07 6.97 10 8 0 0.84 -0.36 11 8 0 0.17 3.63 12 8 0 0.29 -0.11 1 9 0 0.11 3.90 2 9 0 31.25 0.12 3 9 0 0.02 -0.12 4 9 0 13.33 0.05 5 9 0 -0.17 -2.87 6 9 0 -9.92 0.15 7 9 0 -0.05 2.51 8 9 0 -8.68 0.10 9 9 0 0.34 0.08 10 9 0 -0.36 0.12 11 9 0 0.08 1.56 12 9 0 2.67 -0.18 0 10 0 -11.18 -0.04 1 10 0 -0.32 23.27 2 10 0 -1.48 0.07 3 10 0 0.01 -8.59 4 10 0 1.61 0.04 5 10 0 -0.04 -16.97 6 10 0 -2.91 0.14 8 10 0 -0.67 0.01 9 10 0 0.05 5.16 10 10 0 -3.09 -0.08 11 10 0 0.13 2.27 1 11 0 0.22 5.46 2 11 0 21.14 0.13 3 11 0 0.02 4.24 4 11 0 11.58 0.01 5 11 0 -0.17 -3.05 8 11 0 -9.10 -0.02 9 11 0 -0.05 -0.62 10 11 0 0.41 0.10 11 11 0 0.07 1.63 0 12 0 -10.21 0.00 1 12 0 -0.13 14.12 2 12 0 -1.86 0.06 3 12 0 -0.03 -3.88 4 12 0 4.72 -0.02 5 12 0 -0.06 -13.87 6 12 0 0.80 0.09 7 12 0 0.12 -5.44 8 12 0 -1.07 -0.04 9 12 0 0.01 2.76 10 12 0 -2.49 0.08 1 13 0 0.18 5.87 2 13 0 13.82 0.15 3 13 0 0.04 5.49 4 13 0 7.68 -0.10 5 13 0 -0.06 -1.18 6 13 0 -2.27 0.01 7 13 0 -0.05 -3.91 8 13 0 -5.80 -0.11 9 13 0 -0.06 -0.26 0 14 0 -7.28 0.17 1 14 0 0.01 8.27 2 14 0 -2.38 0.07 3 14 0 -0.03 -2.30 4 14 0 4.49 0.01 5 14 0 -0.04 -6.87 6 14 0 3.06 0.03 7 14 0 0.08 -3.21 8 14 0 -1.78 -0.02 1 15 0 0.11 4.56 2 15 0 6.57 0.08 3 15 0 0.01 5.09 4 15 0 3.19 -0.10 5 15 0 0.03 -0.08 7 15 0 0.00 -2.38 1 16 0 0.03 3.72 3 16 0 0.00 -1.68 4 16 0 2.23 0.01 1 0 1 0.06 3.79 2 0 1 0.12 132.96 3 0 1 0.14 9.39 4 0 1 -0.03 18.47 5 0 1 -0.07 -2.80 6 0 1 -0.05 -20.29 7 0 1 0.00 -5.00 8 0 1 0.88 -8.31 9 0 1 -0.18 -2.55 10 0 1 -0.35 0.70 11 0 1 0.03 3.07 12 0 1 -0.19 5.15 13 0 1 -0.05 1.79 14 0 1 0.27 -0.96 13 1 1 3.01 -0.35 12 1 1 -0.61 -0.91 11 1 1 -3.91 -0.87 10 1 1 -3.59 -0.76 9 1 1 -5.82 -1.04 8 1 1 -1.96 -0.17 7 1 1 -0.24 -0.14 6 1 1 5.32 0.25 5 1 1 35.20 1.33 4 1 1 6.61 8.62 3 1 1 43.57 1.88 2 1 1 3.10 -1.16 0 1 1 -0.02 -34.16 1 1 1 -118.21 2.32 14 1 1 0.45 1.66 14 2 1 0.00 -0.03 13 2 1 -1.57 1.45 12 2 1 -1.43 4.42 11 2 1 -0.85 1.44 10 2 1 -0.90 1.31 9 2 1 1.02 -1.58 8 2 1 2.06 -9.12 7 2 1 2.82 -5.60 6 2 1 1.66 -18.71 5 2 1 5.95 -0.94 4 2 1 -0.33 20.54 3 2 1 -22.06 4.27 2 2 1 -2.76 104.18 0 2 1 -2.68 -0.08 1 2 1 -42.96 5.37 13 3 1 1.79 0.46 12 3 1 -0.68 -0.50 11 3 1 -1.33 -1.34 10 3 1 -3.04 -2.13 9 3 1 -7.62 -2.11 8 3 1 -0.45 -1.67 7 3 1 2.66 0.28 6 3 1 3.40 3.29 5 3 1 30.90 3.39 4 3 1 6.89 23.62 3 3 1 27.17 3.46 1 3 1 -78.07 3.05 0 3 1 -0.04 -74.33 2 3 1 -0.70 -6.37 14 4 1 -1.02 -0.06 13 4 1 -2.97 1.24 12 4 1 -1.05 3.01 11 4 1 -1.58 0.53 10 4 1 -0.03 1.77 9 4 1 1.55 -1.94 8 4 1 1.67 -9.76 7 4 1 7.13 -4.48 6 4 1 3.01 -13.42 5 4 1 7.70 -0.95 4 4 1 -0.11 18.48 3 4 1 -36.25 2.09 2 4 1 -3.53 54.43 1 4 1 -44.74 3.16 0 4 1 -4.16 -0.01 14 5 1 0.06 2.07 13 5 1 0.95 0.56 12 5 1 -0.84 0.27 11 5 1 -2.24 -1.55 10 5 1 -1.71 -4.07 9 5 1 -5.89 -1.95 8 5 1 -1.18 -2.63 7 5 1 3.49 0.46 6 5 1 2.89 8.15 5 5 1 21.19 4.05 4 5 1 3.95 28.46 3 5 1 9.88 3.36 2 5 1 1.42 -11.46 1 5 1 -32.69 0.93 0 5 1 0.43 -70.76 13 6 1 -2.02 0.62 12 6 1 -1.41 1.54 11 6 1 -3.18 0.79 10 6 1 -0.72 0.52 9 6 1 3.42 -1.86 8 6 1 2.41 -7.16 7 6 1 10.54 -2.79 6 6 1 3.69 -8.01 5 6 1 5.20 -1.97 4 6 1 -0.93 12.69 3 6 1 -36.41 2.18 2 6 1 -2.61 18.35 1 6 1 -35.12 0.60 0 6 1 -3.56 0.06 13 7 1 -0.12 0.21 12 7 1 -0.76 0.04 11 7 1 -1.51 -1.20 10 7 1 -1.09 -6.00 9 7 1 -2.38 -1.74 8 7 1 -1.28 -2.97 7 7 1 1.49 -0.45 6 7 1 1.82 10.65 5 7 1 12.19 4.44 4 7 1 3.05 24.11 3 7 1 0.77 3.19 2 7 1 0.88 -11.51 1 7 1 -4.99 -0.06 0 7 1 0.78 -52.22 12 8 1 -1.56 -0.22 11 8 1 -3.50 0.39 10 8 1 -0.24 -0.21 9 8 1 4.78 -0.66 8 8 1 2.09 -3.18 6 8 1 3.69 -2.53 5 8 1 1.82 -1.96 4 8 1 -0.75 5.63 3 8 1 -29.15 1.08 2 8 1 -2.76 -0.02 1 8 1 -24.89 0.43 0 8 1 -1.65 -0.01 7 8 1 11.47 -2.11 12 9 1 -0.01 -0.25 11 9 1 0.85 -0.67 10 9 1 -0.70 -5.25 9 9 1 -0.28 -2.47 8 9 1 -1.18 -2.81 6 9 1 0.92 11.46 5 9 1 4.13 3.98 4 9 1 1.85 18.70 3 9 1 -1.16 2.72 2 9 1 0.62 -8.89 1 9 1 5.87 -0.08 0 9 1 0.59 -34.94 7 9 1 2.55 -0.54 11 10 1 -2.38 0.05 10 10 1 -0.33 0.01 9 10 1 4.58 0.46 8 10 1 1.92 -0.27 6 10 1 4.06 1.80 5 10 1 -0.60 -0.14 4 10 1 -0.26 1.34 3 10 1 -21.00 -0.08 2 10 1 -2.49 -6.09 1 10 1 -16.86 0.27 0 10 1 -0.86 -0.09 7 10 1 10.02 -1.90 11 11 1 1.99 -0.41 10 11 1 -0.23 -2.98 9 11 1 0.85 -2.15 8 11 1 -0.32 -1.54 5 11 1 -2.28 2.73 4 11 1 0.81 13.10 3 11 1 -1.72 2.24 2 11 1 -0.12 -5.39 1 11 1 7.45 -0.15 0 11 1 0.26 -22.68 6 11 1 0.04 12.16 10 12 1 -0.25 0.11 9 12 1 1.96 0.25 8 12 1 2.10 1.10 7 12 1 8.32 -0.18 6 12 1 2.57 3.46 5 12 1 -3.08 0.60 4 12 1 -0.02 -1.23 3 12 1 -14.69 0.13 2 12 1 -1.08 -7.21 1 12 1 -9.94 0.11 0 12 1 -1.48 -0.04 9 13 1 1.64 -0.89 8 13 1 -0.39 -0.46 7 13 1 0.52 -0.24 6 13 1 0.22 8.90 5 13 1 -5.29 2.08 4 13 1 -1.04 7.63 3 13 1 -2.31 1.24 2 13 1 -0.16 -3.41 1 13 1 6.69 -0.33 0 13 1 -0.01 -14.14 8 14 1 1.62 0.70 7 14 1 3.87 0.82 6 14 1 0.77 3.56 5 14 1 -2.14 0.65 4 14 1 -0.07 -3.76 3 14 1 -7.76 0.55 2 14 1 -0.80 -5.75 1 14 1 -6.58 -0.56 0 14 1 -1.47 -0.07 7 15 1 0.08 -0.18 5 15 1 -3.96 0.85 4 15 1 -0.76 2.94 3 15 1 -1.84 0.20 2 15 1 -0.92 -1.34 1 15 1 5.72 0.62 0 15 1 -0.04 -7.25 6 15 1 -0.20 2.46 4 16 1 -0.38 -1.65 3 16 1 -2.51 0.17 2 16 1 -0.68 -4.51 0 16 1 -0.31 -0.05 1 16 1 -3.22 -1.06 0 0 2 156.68 -0.14 1 0 2 3.76 -0.01 2 0 2 12.05 -0.17 3 0 2 -9.84 0.04 4 0 2 -46.38 -0.29 5 0 2 -14.08 -0.15 6 0 2 -9.73 -0.18 7 0 2 -2.46 0.12 8 0 2 4.69 0.42 9 0 2 8.50 -0.15 10 0 2 4.48 1.07 11 0 2 4.40 0.05 12 0 2 0.24 -0.20 13 0 2 -1.73 -0.04 14 0 2 -3.44 0.07 13 1 2 0.32 -3.39 12 1 2 1.21 -4.50 11 1 2 1.08 -3.77 10 1 2 -0.46 -1.12 9 1 2 -0.63 2.67 8 1 2 0.94 8.40 7 1 2 -2.39 12.62 6 1 2 -3.20 8.71 5 1 2 -0.18 11.16 4 1 2 0.12 -4.94 3 1 2 -0.81 -59.57 2 1 2 21.15 -11.80 0 1 2 -0.05 -10.69 1 1 2 5.45 -90.60 14 1 2 -0.29 -1.58 14 2 2 -2.44 -0.30 13 2 2 0.18 -1.67 12 2 2 -0.24 -0.06 11 2 2 3.81 1.36 10 2 2 4.79 3.56 9 2 2 5.90 0.23 8 2 2 4.79 1.30 7 2 2 -2.12 1.10 6 2 2 -10.98 -1.76 5 2 2 -12.34 -6.55 4 2 2 -40.22 -6.56 3 2 2 -8.70 -18.66 0 2 2 121.76 -0.21 1 2 2 0.51 37.80 2 2 2 13.58 -1.65 14 3 2 -0.08 -0.50 13 3 2 1.60 -1.58 12 3 2 2.66 -4.22 11 3 2 2.52 -3.15 10 3 2 0.14 -0.09 9 3 2 -1.93 2.01 8 3 2 -1.74 7.75 7 3 2 -4.84 13.66 6 3 2 -7.19 7.07 5 3 2 -2.04 5.88 4 3 2 2.86 -3.18 0 3 2 0.07 -2.14 1 3 2 7.96 -51.41 2 3 2 48.16 -9.33 3 3 2 2.51 -47.10 14 4 2 -0.32 -0.11 13 4 2 0.13 -1.68 12 4 2 -0.34 1.11 11 4 2 3.51 0.76 10 4 2 4.47 3.07 9 4 2 4.32 2.66 8 4 2 4.50 2.82 7 4 2 -2.00 0.58 6 4 2 -12.01 -4.71 5 4 2 -9.47 -13.87 4 4 2 -25.32 -6.88 3 4 2 -5.90 -20.54 2 4 2 12.49 -5.97 1 4 2 -1.40 47.13 0 4 2 57.94 0.19 14 5 2 0.29 -1.16 13 5 2 1.98 -0.24 12 5 2 2.69 -1.94 11 5 2 2.87 -2.62 10 5 2 1.39 0.69 9 5 2 -2.14 2.79 8 5 2 -5.89 5.32 7 5 2 -6.27 11.18 6 5 2 -8.02 5.95 5 5 2 -2.75 0.32 4 5 2 7.42 -1.18 3 5 2 4.22 -24.60 2 5 2 48.51 -4.69 1 5 2 5.64 -20.05 0 5 2 0.08 -1.64 13 6 2 -0.41 -1.65 12 6 2 0.34 0.87 11 6 2 3.09 2.28 10 6 2 3.27 3.64 9 6 2 3.07 5.34 8 6 2 3.19 2.91 7 6 2 -0.94 -2.49 6 6 2 -9.85 -5.62 5 6 2 -6.35 -15.72 4 6 2 -11.00 -7.66 3 6 2 -3.95 -16.27 2 6 2 6.33 -3.44 1 6 2 -0.56 40.10 0 6 2 15.40 0.14 13 7 2 2.09 0.07 12 7 2 2.97 -0.76 11 7 2 2.35 -0.23 10 7 2 0.78 -0.05 9 7 2 -1.50 1.10 8 7 2 -7.18 3.51 7 7 2 -6.71 6.96 6 7 2 -8.20 5.21 5 7 2 -3.64 -1.42 4 7 2 10.15 -0.66 3 7 2 4.86 -7.86 2 7 2 36.49 -2.52 1 7 2 4.28 -1.76 0 7 2 -0.05 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33 0.03 0.77 7 0 33 0.01 0.93 7 1 33 0.53 0.02 1 1 33 3.15 0.70 0 1 33 -0.03 1.12 2 1 33 -0.78 0.49 3 1 33 -1.59 -0.10 4 1 33 -1.53 -0.62 5 1 33 -0.90 0.13 6 1 33 -1.45 0.32 7 2 33 -0.42 0.49 6 2 33 0.26 1.21 5 2 33 0.83 -0.05 4 2 33 -0.60 -0.84 3 2 33 1.35 -0.69 2 2 33 0.76 -2.84 1 2 33 1.09 -1.49 0 2 33 0.79 0.04 7 3 33 0.35 0.23 6 3 33 -1.02 -0.58 5 3 33 -1.56 0.73 4 3 33 -0.66 -0.59 3 3 33 0.10 -1.17 2 3 33 -1.82 0.82 1 3 33 1.45 -0.02 0 3 33 0.06 2.91 6 4 33 0.51 0.34 5 4 33 0.25 -0.22 4 4 33 -1.31 -0.82 3 4 33 1.89 0.02 2 4 33 1.65 -2.04 1 4 33 1.44 -1.02 0 4 33 0.92 0.02 5 5 33 -1.51 0.87 4 5 33 0.28 -0.47 3 5 33 0.00 -1.54 2 5 33 -0.78 0.77 1 5 33 1.01 -1.34 0 5 33 0.33 3.12 4 6 33 -0.88 -1.49 3 6 33 1.90 0.46 2 6 33 0.84 -1.17 1 6 33 2.03 -0.37 0 6 33 2.23 0.02 5 6 33 0.81 -0.62 3 7 33 -0.46 -0.83 2 7 33 0.16 1.23 1 7 33 0.82 -1.26 0 7 33 0.54 1.58 2 8 33 -0.19 -0.33 1 8 33 1.08 0.21 0 8 33 1.89 0.02 0 0 34 -3.82 -0.15 1 0 34 0.71 0.02 2 0 34 -1.26 -0.01 3 0 34 2.39 -0.03 4 0 34 1.21 0.01 5 0 34 0.43 -0.02 6 0 34 0.56 -0.03 7 0 34 0.18 0.01 7 1 34 0.15 -0.57 6 1 34 -0.29 -0.49 0 1 34 0.03 0.54 1 1 34 0.05 1.56 2 1 34 -0.83 1.86 3 1 34 -0.63 2.18 4 1 34 0.05 -0.23 5 1 34 0.03 -0.55 6 2 34 0.09 -0.58 5 2 34 0.55 0.09 4 2 34 1.14 -0.03 3 2 34 1.95 -0.05 2 2 34 -0.88 0.54 1 2 34 0.05 -1.72 0 2 34 -2.03 -0.07 6 3 34 -0.49 -0.01 5 3 34 0.15 0.47 4 3 34 -0.56 -1.18 3 3 34 -0.23 1.14 2 3 34 -1.65 0.78 1 3 34 -0.91 1.13 0 3 34 0.06 2.22 5 4 34 0.42 0.46 4 4 34 0.70 0.42 3 4 34 1.16 -0.10 2 4 34 -0.19 0.84 1 4 34 -0.02 -1.48 0 4 34 -0.71 0.03 4 5 34 -1.21 -0.31 3 5 34 0.23 1.28 2 5 34 -1.41 -0.24 1 5 34 -1.66 0.06 0 5 34 0.01 0.77 5 5 34 0.38 0.31 3 6 34 -0.22 0.18 2 6 34 -0.37 0.88 1 6 34 0.47 -1.41 0 6 34 -0.55 0.11 2 7 34 -1.09 0.00 1 7 34 -1.33 -0.14 0 7 34 -0.02 -0.85 1 0 35 -0.02 -1.51 2 0 35 0.11 -3.10 3 0 35 -0.03 0.28 4 0 35 0.02 -0.76 5 0 35 -0.01 0.86 6 0 35 0.08 0.18 6 1 35 -0.06 -0.04 5 1 35 -0.48 -0.40 1 1 35 1.98 0.36 0 1 35 -0.06 0.57 2 1 35 -1.22 0.41 3 1 35 -0.23 0.07 4 1 35 -1.34 0.00 5 2 35 0.35 0.82 4 2 35 -0.65 -0.65 3 2 35 1.17 0.16 2 2 35 0.43 -1.05 1 2 35 0.84 -1.35 0 2 35 0.85 0.05 6 2 35 0.66 0.35 5 3 35 -0.47 0.47 4 3 35 -0.44 0.09 3 3 35 -0.31 -0.80 2 3 35 -1.89 0.27 1 3 35 1.00 0.10 0 3 35 0.02 1.68 4 4 35 -0.24 -0.63 3 4 35 0.64 0.48 2 4 35 0.77 -0.02 1 4 35 0.62 -0.70 0 4 35 1.18 0.04 3 5 35 -0.04 -0.87 2 5 35 -1.00 -0.04 1 5 35 0.00 -0.78 0 5 35 0.13 1.48 2 6 35 0.66 -0.65 1 6 35 0.90 0.08 0 6 35 0.74 -0.04 0 0 36 -2.22 -0.08 1 0 36 -0.05 0.04 2 0 36 -1.64 0.01 3 0 36 1.81 0.01 4 0 36 1.45 0.03 5 0 36 -0.55 0.03 5 1 36 -0.19 0.28 4 1 36 -0.25 -0.97 3 1 36 -0.27 1.39 1 1 36 -0.22 0.43 0 1 36 -0.08 0.70 2 1 36 -0.08 0.85 5 2 36 -0.14 -0.16 4 2 36 0.17 -0.10 3 2 36 1.64 0.57 2 2 36 -0.81 0.59 1 2 36 0.60 -1.39 0 2 36 -0.66 -0.09 4 3 36 -0.39 -1.55 3 3 36 -0.37 0.63 2 3 36 -0.61 0.54 1 3 36 -0.71 0.27 0 3 36 -0.04 0.47 3 4 36 0.75 -0.38 2 4 36 0.06 0.68 1 4 36 0.57 -0.11 0 4 36 0.29 -0.01 2 5 36 -0.61 -0.59 1 5 36 -0.83 -0.02 0 5 36 -0.03 0.76 1 0 37 0.03 -0.18 2 0 37 0.05 -1.56 3 0 37 0.00 0.37 4 0 37 0.06 -0.51 4 1 37 -0.79 0.38 3 1 37 0.35 -0.41 2 1 37 -0.84 0.12 1 1 37 1.08 -0.42 0 1 37 -0.02 0.29 3 2 37 0.99 0.67 2 2 37 0.38 -0.28 1 2 37 0.73 -0.62 0 2 37 -0.06 0.09 4 2 37 -0.11 -0.60 3 3 37 0.03 -0.71 2 3 37 -0.78 0.21 1 3 37 0.29 -0.16 0 3 37 0.05 0.46 2 4 37 0.33 0.33 1 4 37 0.43 -0.22 0 4 37 1.14 0.02 0 0 38 -0.58 0.02 1 0 38 -0.15 0.03 2 0 38 -1.22 0.10 3 0 38 0.32 -0.02 2 1 38 -0.47 0.24 1 1 38 -0.43 -0.50 0 1 38 -0.05 -0.12 2 2 38 -0.50 0.00 1 2 38 0.26 -0.57 0 2 38 -0.17 0.01 0 3 38 -0.07 -0.13 14 0 0 -2.97 0.11 14 1 0 0.18 0.02 14 2 0 -3.06 0.04 14 3 0 0.09 -0.07 13 8 0 -0.16 -1.10 7 10 0 0.12 -5.35 12 10 0 0.63 -0.06 6 11 0 -6.10 0.05 7 11 0 -0.10 -1.62 6 15 0 -0.22 0.02 0 16 0 -6.25 0.15 2 16 0 -1.00 0.00 5 16 0 -0.05 -1.03 1 17 0 -0.08 2.60 2 17 0 1.32 0.06 14 3 1 0.55 2.54 13 8 1 -1.16 0.37 12 10 1 -0.88 -1.80 7 11 1 2.69 0.09 5 16 1 -0.45 0.52 0 17 1 -0.01 -1.58 1 17 1 3.13 0.34 2 17 1 -0.92 -0.21 13 8 2 0.12 -0.84 12 10 2 0.42 -0.01 5 16 2 0.42 -0.93 0 17 2 0.07 2.37 1 17 2 0.62 2.10 2 17 2 1.18 0.33 2 0 3 -0.06 82.45 14 5 3 0.85 2.29 13 8 3 -1.19 0.68 12 10 3 -2.12 -1.65 7 15 3 -0.12 -0.22 5 16 3 -0.08 0.43 0 17 3 -0.10 -0.52 1 17 3 2.04 0.42 2 17 3 -1.84 0.55 14 5 4 0.26 -1.08 13 8 4 0.31 -0.46 12 10 4 0.46 -0.17 7 15 4 -2.19 -2.08 5 16 4 1.20 -0.09 0 17 4 0.09 2.66 1 17 4 0.49 1.10 14 4 5 -0.34 -0.32 14 5 5 1.47 1.77 13 8 5 -0.48 0.38 7 15 5 -0.06 -0.30 4 16 5 -0.66 -0.21 5 16 5 0.22 -0.42 0 17 5 -0.08 0.58 1 17 5 -0.29 0.31 14 4 6 1.77 -1.16 14 5 6 0.06 -0.80 11 11 6 2.19 0.67 4 16 6 -1.02 0.43 5 16 6 1.29 0.70 0 17 6 0.02 2.10 1 17 6 -0.40 -0.57 14 4 7 -0.06 -0.45 11 11 7 0.59 -0.64 10 12 7 -1.62 0.52 8 14 7 1.72 -0.80 4 16 7 -0.30 1.45 14 4 8 1.65 -0.68 13 7 8 2.05 0.48 12 9 8 -0.17 0.32 11 11 8 1.40 0.20 10 12 8 0.18 1.14 9 13 8 0.71 0.10 8 14 8 0.34 1.24 4 16 8 -2.47 1.31 14 3 9 0.61 0.24 14 4 9 0.08 -0.21 13 7 9 0.01 1.12 12 9 9 -0.43 0.68 10 12 9 -0.77 -0.14 9 13 9 -0.74 -1.17 6 15 9 -1.42 -1.05 4 16 9 0.29 1.98 14 3 10 0.33 0.16 13 7 10 0.56 0.22 12 9 10 -0.48 0.37 6 15 10 0.46 -1.21 3 16 10 -0.88 -0.46 4 16 10 -2.19 2.03 14 2 11 0.63 0.03 14 3 11 -0.52 0.26 13 6 11 0.36 -0.65 11 10 11 0.56 -0.16 6 15 11 -0.84 -1.52 3 16 11 1.22 -1.06 14 0 12 0.19 0.05 14 1 12 -0.08 1.38 14 2 12 0.28 0.18 13 6 12 -0.31 -0.37 12 8 12 1.23 -0.61 11 10 12 -0.06 -0.98 10 11 12 0.14 -0.73 9 12 12 0.85 -1.36 7 14 12 0.47 0.92 2 16 12 1.19 -0.31 3 16 12 -0.72 -0.78 14 0 13 -0.08 -0.14 13 5 13 -0.66 0.17 13 6 13 0.21 -1.05 12 8 13 2.02 -0.18 11 10 13 1.00 0.21 10 11 13 -0.03 1.40 9 12 13 -0.86 1.07 8 13 13 -1.01 0.12 7 14 13 -0.97 -0.22 5 15 13 1.47 -1.45 0 16 13 -0.34 0.01 1 16 13 -0.11 0.93 2 16 13 1.34 2.06 13 5 14 -1.74 0.68 12 7 14 -1.07 1.09 12 8 14 1.45 -0.20 11 9 14 -2.76 0.41 10 10 14 0.82 -3.06 10 11 14 0.38 -1.40 9 12 14 1.24 -0.63 8 13 14 1.23 -0.36 5 15 14 -0.02 0.01 0 16 14 1.71 0.01 1 16 14 -0.66 -0.26 13 4 15 0.42 -2.37 13 5 15 -0.61 -0.50 12 7 15 0.41 1.08 11 9 15 -1.53 1.39 10 10 15 0.96 -0.08 9 12 15 -1.09 0.69 6 14 15 -1.05 0.11 3 15 15 0.51 0.36 4 15 15 -0.11 -0.53 13 4 16 0.66 -0.59 12 6 16 0.73 -0.29 12 7 16 -0.46 0.57 11 9 16 -1.94 -0.27 6 14 16 -0.19 0.94 4 15 16 -0.63 -0.22 13 3 17 0.94 -0.95 12 6 17 2.26 0.87 11 8 17 -0.51 0.49 10 10 17 0.56 0.08 9 11 17 -0.84 1.90 8 12 17 -0.40 -0.52 7 13 17 0.34 0.59 3 15 17 0.08 1.08 13 1 18 -0.60 1.05 13 2 18 -0.49 0.06 12 5 18 0.17 0.95 12 6 18 -0.36 -0.10 11 8 18 -0.45 -0.35 10 9 18 0.48 -0.88 9 11 18 -0.06 0.61 8 12 18 -0.31 -1.07 5 14 18 -0.77 -0.73 0 15 18 -0.06 -0.42 1 15 18 0.69 0.94 2 15 18 0.27 -0.51 12 5 19 0.14 0.37 11 8 19 -0.32 0.59 10 9 19 -0.50 -0.79 6 13 19 0.77 0.70 4 14 19 1.11 -0.19 0 15 19 -0.11 0.22 1 15 19 0.89 -0.15 12 4 20 -0.18 -0.67 12 5 20 0.39 0.15 11 7 20 -0.83 -1.16 10 9 20 0.10 -0.08 9 10 20 0.77 1.22 8 11 20 -0.90 1.16 7 12 20 -0.95 0.64 6 13 20 -1.02 -0.22 4 14 20 -0.07 -0.08 12 3 21 0.84 0.44 12 4 21 0.58 1.05 10 8 21 -0.30 -1.00 9 10 21 0.37 -1.04 8 11 21 0.35 -1.70 7 12 21 1.66 0.25 5 13 21 -0.46 -1.23 2 14 21 -0.37 -0.92 3 14 21 -0.62 0.55 12 2 22 -0.21 -0.75 12 3 22 -0.06 -0.42 11 6 22 0.45 0.27 10 8 22 1.71 -0.14 9 9 22 -0.11 1.73 6 12 22 1.02 0.54 5 13 22 -0.33 0.08 0 14 22 -2.78 0.00 1 14 22 -0.17 -0.14 2 14 22 -0.19 0.15 12 0 23 0.05 -0.91 11 5 23 -1.19 0.89 10 7 23 -1.88 -1.20 9 9 23 0.03 -0.98 8 10 23 0.57 -0.14 7 11 23 -0.06 0.18 6 12 23 -0.43 1.05 4 13 23 -1.00 -0.51 11 4 24 -0.16 -0.19 10 7 24 0.50 -0.36 5 12 24 1.11 -0.09 0 13 24 0.09 0.89 2 13 24 -0.45 0.65 3 13 24 -0.45 0.51 11 3 25 0.38 0.55 10 6 25 -0.72 0.67 9 8 25 -0.43 -0.65 8 9 25 -0.63 -1.78 7 10 25 1.86 0.03 6 11 25 -1.27 0.57 4 12 25 0.52 -0.26 0 13 25 -0.01 -0.04 1 13 25 0.73 -0.30 2 13 25 -0.58 0.36 11 0 26 -0.17 -0.02 11 1 26 -0.25 0.38 10 5 26 -0.73 -0.79 9 7 26 0.21 -0.13 7 10 26 0.41 0.42 3 12 26 0.55 0.98 4 12 26 1.01 -0.58 10 4 27 0.80 0.10 9 6 27 0.81 0.20 8 8 27 0.89 0.70 7 9 27 -0.33 0.27 6 10 27 -0.07 1.09 4 11 27 0.34 -0.32 5 11 27 -0.65 0.22 0 12 27 0.20 0.06 2 12 27 -0.48 -0.42 10 2 28 -0.81 0.23 10 3 28 -1.32 -0.02 8 7 28 0.07 -0.07 4 11 28 -0.18 -0.52 0 12 28 0.31 -0.09 9 4 29 0.88 -0.02 7 8 29 0.30 -0.27 6 9 29 -0.17 0.30 4 10 29 -1.05 -0.10 5 10 29 0.31 -0.97 0 11 29 -0.06 0.06 2 11 29 -0.36 0.58 3 11 29 -0.83 0.16 9 3 30 -0.50 0.29 8 5 30 0.12 0.52 8 6 30 0.14 -0.07 7 7 30 -0.78 0.22 6 8 30 0.38 -1.36 5 9 30 -0.33 -0.20 3 10 30 -0.63 -0.24 4 10 30 0.63 -0.48 0 11 30 -0.18 -0.30 1 11 30 -0.14 0.25 9 0 31 -0.01 0.75 9 1 31 1.21 0.07 8 4 31 0.41 0.30 7 6 31 0.30 0.08 4 9 31 1.26 0.27 0 10 31 -0.10 -0.01 1 10 31 0.13 0.35 2 10 31 -0.34 -0.40 0 0 32 -3.65 -0.02 8 3 32 0.72 -0.45 7 5 32 -0.19 -0.44 6 7 32 -0.32 0.56 4 8 32 0.64 -0.43 5 8 32 -0.23 0.90 0 9 32 -0.07 -0.49 3 9 32 0.70 0.61 7 4 33 0.04 0.20 6 5 33 -0.56 -0.82 6 6 33 0.00 -0.09 4 7 33 0.56 -0.63 5 7 33 -0.38 0.77 3 8 33 1.51 0.34 4 8 33 0.11 -0.82 0 9 33 0.30 1.12 1 9 33 0.45 -0.63 7 2 34 0.29 0.77 6 4 34 0.27 -0.81 4 6 34 0.53 0.18 5 6 34 0.04 0.48 3 7 34 0.61 1.08 4 7 34 -1.37 -0.07 0 8 34 0.45 0.02 1 8 34 -0.16 -0.87 2 8 34 -0.39 0.54 6 3 35 0.52 0.20 5 4 35 0.55 0.53 4 5 35 0.25 0.12 5 5 35 -0.22 0.79 3 6 35 0.56 0.72 4 6 35 -0.18 -0.18 0 7 35 0.27 1.02 1 7 35 0.07 -1.14 2 7 35 0.13 0.01 5 3 36 0.28 -0.17 4 4 36 -0.34 0.12 3 5 36 0.18 0.16 0 6 36 0.20 0.07 1 6 36 -0.12 0.09 2 6 36 -0.20 0.12 4 3 37 -0.18 0.10 3 4 37 -0.30 0.53 0 5 37 0.01 0.55 1 5 37 0.16 0.02 2 5 37 -0.65 -0.51 3 1 38 0.15 0.82 3 2 38 0.73 0.31 1 3 38 -0.38 -0.02 2 3 38 -0.23 -0.18 0 4 38 0.25 -0.03 1 0 39 0.00 0.69 0 1 39 0.01 0.42 0 0 0 0.00 0.00 # SQUEEZE RESULTS (Version = 51222) # 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 0.112 0.535 -0.004 119 44 ' ' 2 -0.113 0.035 0.504 119 44 ' ' 3 0.162 0.143 0.886 17 0 ' ' 4 0.167 0.819 0.712 7 0 ' ' 5 0.387 0.465 0.496 118 44 ' ' 6 0.337 0.857 0.386 17 0 ' ' 7 0.333 0.181 0.212 7 0 ' ' 8 0.612 0.965 1.004 119 44 ' ' 9 0.662 0.357 0.114 17 0 ' ' 10 0.667 0.681 0.288 7 0 ' ' 11 0.837 0.643 0.614 17 0 ' ' 12 0.833 0.319 0.788 7 0 ' ' # Missing Reflections Below sin(th)/lambda = 0.25 loop_ _platon_missing_refln_index_h _platon_missing_refln_index_k _platon_missing_refln_index_l _platon_missing_refln_theta 2 0 3 7.469 _platon_squeeze_void_probe_radius 1.20 _platon_squeeze_details ) TITL 0217-1_auto P 21 21 21 R = 0.14 CELL 11.8673 13.7758 31.2560 90.00 90.00 90.00 SPGR P212121 # Solvent Accessible Volume = 579 # Electrons Found in S.A.V. = 179 # Note: Atoms in Void are Labelled as Cxxx and Qxxx for all Others C101 0.910 0.029 0.450 ! 13.04 eA-3 C102 0.119 0.535 0.951 ! 12.12 eA-3 C103 0.835 0.043 0.509 ! 4.31 eA-3 C104 0.033 0.554 0.016 ! 2.17 eA-3 C105 0.468 0.492 0.450 ! 1.42 eA-3 Q106 0.643 0.038 0.953 ! 1.39 eA-3 C107 0.096 0.445 0.967 ! 0.94 eA-3 C108 0.621 0.896 0.951 ! 0.93 eA-3 Q109 0.743 0.908 0.013 ! 0.90 eA-3 Q110 0.359 0.566 0.444 ! 0.86 eA-3 Q111 0.521 0.023 0.946 ! 0.83 eA-3 Q112 0.404 0.294 0.831 ! 0.81 eA-3 Q113 0.468 0.698 0.007 ! 0.81 eA-3 Q114 0.438 0.527 0.236 ! 0.79 eA-3 Q115 1.003 0.580 0.099 ! 0.79 eA-3 Q116 0.950 0.058 0.568 ! 0.78 eA-3 Q117 0.723 0.142 0.479 ! 0.77 eA-3 Q118 0.245 0.517 0.041 ! 0.77 eA-3 Q119 0.421 0.398 0.574 ! 0.75 eA-3 Q120 0.534 0.470 0.499 ! 0.74 eA-3 Q121 0.618 0.518 0.006 ! 0.71 eA-3 Q122 0.542 0.450 0.437 ! 0.71 eA-3 Q123 0.728 0.969 0.474 ! 0.69 eA-3 Q124 0.246 0.248-0.001 ! 0.67 eA-3 Q125 0.953 0.948 0.469 ! 0.67 eA-3 Q126 0.434 0.312 0.839 ! 0.66 eA-3 Q127 0.553 0.808 0.693 ! 0.66 eA-3 Q128 0.923 0.113 0.764 ! 0.65 eA-3 Q129 0.975 0.498 0.009 ! 0.65 eA-3 Q130 0.109 0.843 0.974 ! 0.65 eA-3 Q131 0.013 0.749 0.410 ! 0.64 eA-3 Q132 0.468 0.169 0.835 ! 0.62 eA-3 Q133 0.529 0.079 0.455 ! 0.61 eA-3 Q134 0.580 0.079 0.231 ! 0.61 eA-3 Q135 0.548 0.271 0.611 ! 0.61 eA-3 Q136 0.610 0.936 0.226 ! 0.61 eA-3 Q137 0.923 0.074 0.391 ! 0.60 eA-3 Q138 0.531 0.077 0.539 ! 0.60 eA-3 Q139 1.001 0.201 0.129 ! 0.59 eA-3 Q140 0.492 0.716 0.912 ! 0.59 eA-3 Q141 0.580 0.067 0.091 ! 0.59 eA-3 Q142 0.542 0.292 0.400 ! 0.57 eA-3 Q143 0.704 0.370 0.093 ! 0.57 eA-3 Q144 0.696 0.146 0.393 ! 0.57 eA-3 Q145 0.517 0.933 0.231 ! 0.57 eA-3 Q146 0.561 0.255 0.823 ! 0.57 eA-3 Q147 0.465 0.683 0.101 ! 0.56 eA-3 Q148 0.451 0.417 0.001 ! 0.56 eA-3 Q149 0.196 0.443 0.022 ! 0.56 eA-3 Q150 0.579 0.016 0.294 ! 0.56 eA-3 Q151 0.122 0.986 0.946 ! 0.56 eA-3 Q152 0.097 0.442 0.061 ! 0.56 eA-3 Q153 0.720 0.519 0.035 ! 0.56 eA-3 Q154 0.045 0.577 0.693 ! 0.56 eA-3 Q155 0.016 0.281 0.121 ! 0.55 eA-3 Q156 0.106 0.952 0.792 ! 0.55 eA-3 Q157 0.713 0.059 0.012 ! 0.55 eA-3 Q158 0.340 0.203 0.525 ! 0.54 eA-3 Q159 0.716 0.361 0.114 ! 0.54 eA-3 Q160 0.999 0.950 0.795 ! 0.54 eA-3 Q161 0.061 0.051 0.809 ! 0.53 eA-3 Q162 0.863 0.707 0.625 ! 0.53 eA-3 Q163 0.161 0.025 0.950 ! 0.53 eA-3 Q164 0.440 0.097 0.446 ! 0.53 eA-3 Q165 0.184 0.391 0.498 ! 0.53 eA-3 Q166 0.437 0.458 0.298 ! 0.52 eA-3 Q167 0.595 0.345 0.074 ! 0.52 eA-3 Q168 0.798 0.086 0.430 ! 0.52 eA-3 Q169 0.827 0.911 0.598 ! 0.52 eA-3 Q170 0.355 0.263 0.046 ! 0.52 eA-3 Q171 0.214 0.160 0.836 ! 0.51 eA-3 Q172 0.142 0.084 0.929 ! 0.51 eA-3 Q173 0.094 0.973 0.517 ! 0.51 eA-3 Q174 0.659 0.578 0.275 ! 0.51 eA-3 Q175 1.005 0.936 0.524 ! 0.51 eA-3 Q176 0.513 0.596 0.542 ! 0.51 eA-3 Q177 0.936 0.040 0.838 ! 0.50 eA-3 Q178 0.970 1.010 0.725 ! 0.50 eA-3 Q179 1.003 0.154 0.789 ! 0.50 eA-3 ) ; _shelx_fab_checksum 60300 _platon_squeeze_details ? _platon_squeeze_special_details ? 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 0.112 0.535 -0.004 119 44 ' ' 2 -0.113 0.035 0.504 119 44 ' ' 3 0.162 0.143 0.886 17 0 ' ' 4 0.167 0.819 0.712 7 0 ' ' 5 0.387 0.465 0.496 118 44 ' ' 6 0.337 0.857 0.386 17 0 ' ' 7 0.333 0.181 0.212 7 0 ' ' 8 0.612 0.965 1.004 119 44 ' ' 9 0.662 0.357 0.114 17 0 ' ' 10 0.667 0.681 0.288 7 0 ' ' 11 0.837 0.643 0.614 17 0 ' ' 12 0.833 0.319 0.788 7 0 ' ' _platon_squeeze_void_probe_radius 1.20 _olex2_submission_special_instructions 'No special instructions were received' _oxdiff_exptl_absorpt_empirical_details ; Empirical correction (ABSPACK) includes: - Absorption correction using spherical harmonics - Frame scaling ; _oxdiff_exptl_absorpt_empirical_full_max 1.620 _oxdiff_exptl_absorpt_empirical_full_min 0.651 loop_ _twin_individual_id _twin_individual_mass_fraction_refined 1 0.954(10) 2 0.046(10)