# Electronic Supplementary Material (ESI) for Chemical Communications # This journal is © The Royal Society of Chemistry 2013 ####################################################################### # # Cambridge Crystallographic Data Centre # CCDC # ####################################################################### # # This CIF contains data from an original supplementary publication # deposited with the CCDC, and may include chemical, crystal, # experimental, refinement, atomic coordinates, # anisotropic displacement parameters and molecular geometry data, # as required by the journal to which it was submitted. # # This CIF is provided on the understanding that it is used for bona # fide research purposes only. It may contain copyright material # of the CCDC or of third parties, and may not be copied or further # disseminated in any form, whether machine-readable or not, # except for the purpose of generating routine backup copies # on your local computer system. # # For further information on the CCDC, data deposition and # data retrieval see: # www.ccdc.cam.ac.uk # # Bona fide researchers may freely download Mercury and enCIFer # from this site to visualise CIF-encoded structures and # to carry out CIF format checking respectively. # data_ik863a _audit_creation_method SHELXL-2013 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety 'C66 H68 Cu4 Dy4 N12 O40, 6(C H4 O)' _chemical_formula_sum 'C72 H92 Cu4 Dy4 N12 O46' _chemical_formula_weight 2765.73 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _space_group_crystal_system orthorhombic _space_group_IT_number 61 _space_group_name_H-M_alt 'P b c a' _space_group_name_Hall '-P 2ac 2ab' _shelx_space_group_comment ; The symmetry employed for this shelxl refinement is uniquely defined by the following loop, which should always be used as a source of symmetry information in preference to the above space-group names. They are only intended as comments. ; loop_ _space_group_symop_operation_xyz 'x, y, z' '-x+1/2, -y, z+1/2' '-x, y+1/2, -z+1/2' 'x+1/2, -y+1/2, -z' '-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 24.7894(10) _cell_length_b 14.3443(8) _cell_length_c 25.9290(11) _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 9220.0(7) _cell_formula_units_Z 4 _cell_measurement_temperature 150(2) _cell_measurement_reflns_used 53887 _cell_measurement_theta_min 1.57 _cell_measurement_theta_max 26.87 _exptl_crystal_description block _exptl_crystal_colour 'dark green' _exptl_crystal_density_meas ? _exptl_crystal_density_method ? _exptl_crystal_density_diffrn 1.992 _exptl_crystal_F_000 5424 _exptl_transmission_factor_min ? _exptl_transmission_factor_max ? _exptl_crystal_size_max 0.440 _exptl_crystal_size_mid 0.320 _exptl_crystal_size_min 0.250 _exptl_absorpt_coefficient_mu 4.205 _shelx_estimated_absorpt_T_min 0.259 _shelx_estimated_absorpt_T_max 0.419 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.286 _exptl_absorpt_correction_T_max 0.429 _exptl_absorpt_process_details ; XPREP in SHELXTL 6.14 (BrukerAXS Inc., 2003) ; _exptl_special_details ; ? ; _diffrn_ambient_temperature 150(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_source 'fine-focus sealed tube' _diffrn_measurement_device_type 'Stoe IPDS II' _diffrn_measurement_method 'area detector, \w-scans' _diffrn_detector_area_resol_mean 6.667 __diffrn_reflns_number 63679 _diffrn_reflns_av_unetI/netI 0.0380 _diffrn_reflns_av_R_equivalents 0.0748 _diffrn_reflns_limit_h_min -30 _diffrn_reflns_limit_h_max 30 _diffrn_reflns_limit_k_min -17 _diffrn_reflns_limit_k_max 17 _diffrn_reflns_limit_l_min -32 _diffrn_reflns_limit_l_max 28 _diffrn_reflns_theta_min 1.571 _diffrn_reflns_theta_max 26.367 _diffrn_reflns_theta_full 25.250 _diffrn_measured_fraction_theta_max 0.998 _diffrn_measured_fraction_theta_full 1.000 _diffrn_reflns_Laue_measured_fraction_max 0.998 _diffrn_reflns_Laue_measured_fraction_full 1.000 _diffrn_reflns_point_group_measured_fraction_max 0.998 _diffrn_reflns_point_group_measured_fraction_full 1.000 _reflns_number_total 9387 _reflns_number_gt 7502 _reflns_threshold_expression 'I > 2\s(I)' _reflns_Friedel_coverage 0.000 _reflns_Friedel_fraction_max . _reflns_Friedel_fraction_full . _reflns_special_details ; Reflections were merged by SHELXL according to the crystal class for the calculation of statistics and refinement. _reflns_Friedel_fraction is defined as the number of unique Friedel pairs measured divided by the number that would be possible theoretically, ignoring centric projections and systematic absences. ; _computing_data_collection 'WinXpose 1.6.8 (Stoe & Cie GmbH, 2004)' _computing_cell_refinement 'X-Area 1.38 (Stoe & Cie GmbH, 2006)' _computing_data_reduction 'X-Area 1.38 (Stoe & Cie GmbH, 2006)' _computing_structure_solution 'SHELXL-2013 (Sheldrick, 2013)' _computing_structure_refinement 'SHELXL-2013 (Sheldrick, 2013)' _computing_molecular_graphics 'Diamond 2.1 (Crystal Impact, 1998)' _computing_publication_material 'SHELXL-2013 (Sheldrick, 2013)' _refine_special_details ; Geometrical restraints were applied to positions of some OH H-atoms. ; _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme calc _refine_ls_weighting_details ; w=1/[\s^2^(Fo^2^)+(0.1080P)^2^] where P=(Fo^2^+2Fc^2^)/3 ; _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens mixed _refine_ls_hydrogen_treatment mixed _refine_ls_extinction_method none _refine_ls_extinction_coef . _refine_ls_number_reflns 9387 _refine_ls_number_parameters 637 _refine_ls_number_restraints 4 _refine_ls_R_factor_all 0.0687 _refine_ls_R_factor_gt 0.0566 _refine_ls_wR_factor_ref 0.1428 _refine_ls_wR_factor_gt 0.1363 _refine_ls_goodness_of_fit_ref 1.000 _refine_ls_restrained_S_all 1.002 _refine_ls_shift/su_max 0.001 _refine_ls_shift/su_mean 0.000 loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_site_symmetry_order _atom_site_calc_flag _atom_site_refinement_flags_posn _atom_site_refinement_flags_adp _atom_site_refinement_flags_occupancy _atom_site_disorder_assembly _atom_site_disorder_group Dy1 Dy 0.59542(2) 0.53807(2) 0.41310(2) 0.03669(10) Uani 1 1 d . . . . . Dy2 Dy 0.55450(2) 0.34274(2) 0.33867(2) 0.04009(11) Uani 1 1 d . . . . . Cu1 Cu 0.47416(3) 0.40695(5) 0.47329(3) 0.03495(17) Uani 1 1 d . . . . . Cu2 Cu 0.44260(3) 0.20331(6) 0.36305(4) 0.0468(2) Uani 1 1 d . . . . . O1 O 0.6155(2) 0.4579(3) 0.34242(18) 0.0423(10) Uani 1 1 d D . . . . H1 H 0.648(2) 0.464(5) 0.326(3) 0.051 Uiso 1 1 d D U . . . O2 O 0.4216(2) 0.2730(3) 0.44899(18) 0.0456(10) Uani 1 1 d . . . . . H2 H 0.3826 0.2907 0.4496 0.055 Uiso 1 1 calc R U . . . C2 C 0.4298(4) 0.1984(6) 0.4849(3) 0.061(2) Uani 1 1 d . . . . . H2A H 0.4664 0.1734 0.4807 0.091 Uiso 1 1 calc R U . . . H2B H 0.4034 0.1490 0.4783 0.091 Uiso 1 1 calc R U . . . H2C H 0.4253 0.2218 0.5201 0.091 Uiso 1 1 calc R U . . . O3 O 0.40951(18) 0.4714(3) 0.49659(17) 0.0388(10) Uani 1 1 d . . . . . C3 C 0.3702(2) 0.5086(4) 0.4671(2) 0.0360(12) Uani 1 1 d . . . . . C4 C 0.3215(3) 0.5326(4) 0.4905(3) 0.0417(14) Uani 1 1 d . . . . . O4 O 0.32041(18) 0.5173(3) 0.54352(18) 0.0438(10) Uani 1 1 d . . . . . C10 C 0.2725(3) 0.5470(6) 0.5705(3) 0.060(2) Uani 1 1 d . . . . . H10A H 0.2646 0.6120 0.5618 0.089 Uiso 1 1 calc R U . . . H10B H 0.2783 0.5414 0.6077 0.089 Uiso 1 1 calc R U . . . H10C H 0.2420 0.5076 0.5602 0.089 Uiso 1 1 calc R U . . . C5 C 0.2788(3) 0.5694(5) 0.4616(3) 0.0480(16) Uani 1 1 d . . . . . H5A H 0.2459 0.5858 0.4780 0.058 Uiso 1 1 calc R U . . . C6 C 0.2848(3) 0.5820(6) 0.4087(3) 0.0542(18) Uani 1 1 d . . . . . H6A H 0.2556 0.6053 0.3886 0.065 Uiso 1 1 calc R U . . . C7 C 0.3330(3) 0.5606(5) 0.3857(3) 0.0485(16) Uani 1 1 d . . . . . H7A H 0.3372 0.5712 0.3498 0.058 Uiso 1 1 calc R U . . . C8 C 0.3765(3) 0.5236(4) 0.4137(2) 0.0388(13) Uani 1 1 d . . . . . C9 C 0.4278(3) 0.5110(4) 0.3875(3) 0.0396(13) Uani 1 1 d . . . . . H9A H 0.4303 0.5352 0.3535 0.047 Uiso 1 1 calc R U . . . N1 N 0.4697(2) 0.4708(3) 0.4053(2) 0.0366(11) Uani 1 1 d . . . . . O5 O 0.51401(17) 0.4788(3) 0.37350(16) 0.0360(9) Uani 1 1 d . . . . . O6 O 0.47288(17) 0.3753(3) 0.54687(16) 0.0364(9) Uani 1 1 d . . . . . C11 C 0.5027(3) 0.3127(4) 0.5721(3) 0.0376(13) Uani 1 1 d . . . . . C12 C 0.4874(3) 0.2860(5) 0.6221(3) 0.0445(14) Uani 1 1 d . . . . . O7 O 0.44124(19) 0.3288(3) 0.63975(19) 0.0438(11) Uani 1 1 d . . . . . C18 C 0.4204(3) 0.2943(6) 0.6875(3) 0.0540(18) Uani 1 1 d . . . . . H18A H 0.4094 0.2291 0.6833 0.081 Uiso 1 1 calc R U . . . H18B H 0.3891 0.3317 0.6979 0.081 Uiso 1 1 calc R U . . . H18C H 0.4483 0.2984 0.7141 0.081 Uiso 1 1 calc R U . . . C13 C 0.5168(3) 0.2208(5) 0.6502(3) 0.0543(18) Uani 1 1 d . . . . . H13A H 0.5049 0.2010 0.6833 0.065 Uiso 1 1 calc R U . . . C14 C 0.5643(3) 0.1852(6) 0.6288(3) 0.060(2) Uani 1 1 d . . . . . H14A H 0.5857 0.1428 0.6482 0.072 Uiso 1 1 calc R U . . . C15 C 0.5803(3) 0.2102(5) 0.5807(3) 0.0507(17) Uani 1 1 d . . . . . H15A H 0.6126 0.1848 0.5668 0.061 Uiso 1 1 calc R U . . . C16 C 0.5498(3) 0.2731(4) 0.5511(3) 0.0411(14) Uani 1 1 d . . . . . C17 C 0.5708(3) 0.3002(4) 0.5014(3) 0.0417(14) Uani 1 1 d . . . . . H17A H 0.6057 0.2776 0.4930 0.050 Uiso 1 1 calc R U . . . N2 N 0.5473(2) 0.3523(3) 0.4666(2) 0.0359(11) Uani 1 1 d . . . . . O8 O 0.57999(18) 0.3734(3) 0.42577(16) 0.0375(9) Uani 1 1 d . . . . . O9 O 0.4632(2) 0.3118(3) 0.32349(19) 0.0465(11) Uani 1 1 d . . . . . C19 C 0.4328(3) 0.3615(5) 0.2897(3) 0.0501(16) Uani 1 1 d . . . . . C20 C 0.4589(3) 0.4258(5) 0.2580(3) 0.0518(17) Uani 1 1 d . . . . . O10 O 0.5145(2) 0.4279(4) 0.26397(18) 0.0505(11) Uani 1 1 d . . . . . C26 C 0.5419(4) 0.4992(7) 0.2349(3) 0.067(2) Uani 1 1 d . . . . . H26A H 0.5363 0.4884 0.1980 0.101 Uiso 1 1 calc R U . . . H26B H 0.5806 0.4972 0.2427 0.101 Uiso 1 1 calc R U . . . H26C H 0.5274 0.5604 0.2444 0.101 Uiso 1 1 calc R U . . . C21 C 0.4299(4) 0.4818(6) 0.2238(4) 0.067(2) Uani 1 1 d . . . . . H21A H 0.4481 0.5265 0.2031 0.080 Uiso 1 1 calc R U . . . C22 C 0.3756(5) 0.4721(7) 0.2203(4) 0.081(3) Uani 1 1 d . . . . . H22A H 0.3556 0.5115 0.1979 0.097 Uiso 1 1 calc R U . . . C23 C 0.3492(4) 0.4055(7) 0.2492(4) 0.074(3) Uani 1 1 d . . . . . H23A H 0.3114 0.3975 0.2452 0.089 Uiso 1 1 calc R U . . . C24 C 0.3773(3) 0.3494(6) 0.2843(3) 0.0561(19) Uani 1 1 d . . . . . C25 C 0.3469(3) 0.2808(6) 0.3127(3) 0.0585(19) Uani 1 1 d . . . . . H25A H 0.3088 0.2819 0.3089 0.070 Uiso 1 1 calc R U . . . N3 N 0.3669(3) 0.2178(5) 0.3431(3) 0.0569(16) Uani 1 1 d . . . . . O11 O 0.3292(2) 0.1612(5) 0.3663(3) 0.0706(16) Uani 1 1 d D . . . . O12 O 0.51993(19) 0.2051(3) 0.37703(19) 0.0443(10) Uani 1 1 d . . . . . C27 C 0.5507(3) 0.1356(5) 0.3926(3) 0.0527(18) Uani 1 1 d . . . . . C28 C 0.6067(3) 0.1444(6) 0.3878(3) 0.0573(19) Uani 1 1 d . . . . . O13 O 0.6237(2) 0.2255(3) 0.3636(2) 0.0512(12) Uani 1 1 d . . . . . C34 C 0.6805(3) 0.2436(7) 0.3629(5) 0.076(3) Uani 1 1 d . . . . . H34A H 0.6947 0.2401 0.3981 0.115 Uiso 1 1 calc R U . . . H34B H 0.6870 0.3061 0.3489 0.115 Uiso 1 1 calc R U . . . H34C H 0.6986 0.1972 0.3413 0.115 Uiso 1 1 calc R U . . . C29 C 0.6426(4) 0.0769(8) 0.4040(5) 0.091(4) Uani 1 1 d . . . . . H29A H 0.6805 0.0866 0.4027 0.110 Uiso 1 1 calc R U . . . C30 C 0.6199(6) -0.0092(10) 0.4231(7) 0.129(6) Uani 1 1 d . . . . . H30A H 0.6431 -0.0584 0.4333 0.154 Uiso 1 1 calc R U . . . C31 C 0.5666(5) -0.0201(8) 0.4264(6) 0.104(4) Uani 1 1 d . . . . . H31A H 0.5529 -0.0770 0.4398 0.125 Uiso 1 1 calc R U . . . C32 C 0.5298(4) 0.0492(6) 0.4108(4) 0.065(2) Uani 1 1 d . . . . . C33 C 0.4740(4) 0.0276(6) 0.4121(3) 0.063(2) Uani 1 1 d . . . . . H33A H 0.4638 -0.0286 0.4289 0.075 Uiso 1 1 calc R U . . . N4 N 0.4355(3) 0.0777(5) 0.3923(3) 0.0612(17) Uani 1 1 d . . . . . O14 O 0.3859(3) 0.0364(4) 0.3973(3) 0.0763(19) Uani 1 1 d . . . . . H14 H 0.3618 0.0741 0.3881 0.114 Uiso 1 1 calc R U . . . N5 N 0.6735(3) 0.6900(4) 0.4052(3) 0.0517(14) Uani 1 1 d . . . . . O15 O 0.6410(2) 0.6835(4) 0.4432(2) 0.0522(12) Uani 1 1 d . . . . . O16 O 0.6727(2) 0.6206(4) 0.3739(2) 0.0508(12) Uani 1 1 d . . . . . O17 O 0.7023(2) 0.7570(4) 0.3989(3) 0.0699(16) Uani 1 1 d . . . . . N6 N 0.5955(3) 0.2356(5) 0.2501(2) 0.0544(15) Uani 1 1 d . . . . . O18 O 0.5512(2) 0.2142(4) 0.2710(2) 0.0556(13) Uani 1 1 d . . . . . O19 O 0.6157(2) 0.3147(4) 0.2650(2) 0.0567(13) Uani 1 1 d D . . . . O20 O 0.6179(3) 0.1881(5) 0.2185(3) 0.0764(18) Uani 1 1 d . . . . . O41 O 0.7046(4) 0.4903(7) 0.2783(3) 0.112(3) Uani 1 1 d . . . . . H41 H 0.7056 0.4486 0.2556 0.167 Uiso 1 1 calc DR U . . . C41 C 0.7242(5) 0.5772(8) 0.2568(5) 0.089(3) Uani 1 1 d . . . . . H41A H 0.6934 0.6163 0.2469 0.133 Uiso 1 1 calc R U . . . H41B H 0.7463 0.5642 0.2264 0.133 Uiso 1 1 calc R U . . . H41C H 0.7460 0.6100 0.2826 0.133 Uiso 1 1 calc R U . . . O42 O 0.7147(3) 0.3446(6) 0.2096(3) 0.085(2) Uani 1 1 d D . . . . H42 H 0.6841 0.3293 0.2207 0.128 Uiso 1 1 calc DR U . . . C42 C 0.7112(5) 0.3640(9) 0.1560(4) 0.088(3) Uani 1 1 d . . . . . H42A H 0.6832 0.4111 0.1500 0.132 Uiso 1 1 calc R U . . . H42B H 0.7019 0.3068 0.1374 0.132 Uiso 1 1 calc R U . . . H42C H 0.7460 0.3875 0.1437 0.132 Uiso 1 1 calc R U . . . O43 O 0.3119(3) 0.2902(7) 0.4422(3) 0.104(3) Uani 1 1 d . . . . . H43 H 0.3063 0.2452 0.4222 0.156 Uiso 1 1 calc DR U . . . C43 C 0.2659(4) 0.3089(7) 0.4695(4) 0.074(2) Uani 1 1 d . . . . . H43A H 0.2703 0.2875 0.5051 0.111 Uiso 1 1 calc R U . . . H43B H 0.2354 0.2762 0.4536 0.111 Uiso 1 1 calc R U . . . H43C H 0.2590 0.3761 0.4692 0.111 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 Dy1 0.03335(17) 0.03660(17) 0.04011(17) -0.00084(11) 0.00287(11) -0.00206(11) Dy2 0.03884(19) 0.03815(17) 0.04327(18) -0.00335(12) 0.00506(12) -0.00371(12) Cu1 0.0315(4) 0.0348(4) 0.0386(4) 0.0005(3) 0.0009(3) -0.0001(3) Cu2 0.0405(5) 0.0462(5) 0.0538(5) -0.0029(4) 0.0033(4) -0.0069(3) O1 0.040(3) 0.042(2) 0.045(2) -0.0088(18) 0.011(2) -0.0078(19) O2 0.047(3) 0.046(2) 0.044(2) -0.004(2) -0.001(2) -0.002(2) C2 0.065(5) 0.056(4) 0.062(5) -0.009(4) 0.008(4) -0.003(4) O3 0.040(2) 0.041(2) 0.035(2) 0.0001(17) -0.0011(17) 0.0022(18) C3 0.032(3) 0.033(3) 0.044(3) 0.000(2) 0.003(2) 0.003(2) C4 0.038(3) 0.039(3) 0.048(4) 0.001(3) 0.004(3) 0.003(3) O4 0.032(2) 0.053(3) 0.046(2) -0.001(2) 0.0044(19) 0.004(2) C10 0.043(4) 0.076(5) 0.060(4) 0.000(4) 0.013(4) 0.010(4) C5 0.029(3) 0.049(4) 0.066(4) 0.005(3) -0.001(3) 0.004(3) C6 0.041(4) 0.058(4) 0.063(5) 0.005(3) -0.007(3) 0.011(3) C7 0.047(4) 0.051(4) 0.048(4) 0.005(3) -0.005(3) 0.008(3) C8 0.034(3) 0.036(3) 0.046(3) 0.000(2) -0.006(3) -0.002(2) C9 0.039(3) 0.038(3) 0.042(3) 0.000(3) 0.003(3) -0.002(3) N1 0.034(3) 0.034(2) 0.042(3) -0.001(2) 0.002(2) -0.002(2) O5 0.031(2) 0.039(2) 0.038(2) 0.0025(17) 0.0046(17) -0.0011(17) O6 0.034(2) 0.033(2) 0.042(2) -0.0005(17) 0.0009(18) 0.0037(17) C11 0.033(3) 0.036(3) 0.043(3) 0.002(2) -0.002(3) -0.002(2) C12 0.043(4) 0.045(3) 0.046(3) 0.004(3) -0.002(3) 0.002(3) O7 0.046(3) 0.043(2) 0.043(2) 0.0075(19) 0.005(2) 0.001(2) C18 0.055(4) 0.066(5) 0.042(4) 0.006(3) 0.010(3) 0.002(4) C13 0.055(5) 0.054(4) 0.054(4) 0.018(3) 0.003(3) 0.009(3) C14 0.054(5) 0.061(5) 0.063(5) 0.020(4) 0.001(4) 0.007(4) C15 0.040(4) 0.051(4) 0.061(4) 0.012(3) 0.003(3) 0.005(3) C16 0.040(3) 0.036(3) 0.048(4) 0.009(3) 0.005(3) 0.000(3) C17 0.037(3) 0.035(3) 0.053(4) 0.003(3) -0.003(3) 0.001(3) N2 0.036(3) 0.036(3) 0.036(3) 0.002(2) 0.002(2) 0.000(2) O8 0.038(2) 0.038(2) 0.037(2) -0.0013(17) 0.0079(18) -0.0018(18) O9 0.040(3) 0.052(3) 0.048(3) 0.001(2) -0.001(2) 0.001(2) C19 0.054(4) 0.049(4) 0.047(4) -0.011(3) -0.001(3) 0.005(3) C20 0.061(5) 0.042(3) 0.053(4) -0.007(3) -0.001(3) 0.007(3) O10 0.060(3) 0.050(3) 0.042(2) -0.003(2) 0.001(2) -0.003(2) C26 0.079(6) 0.069(5) 0.054(5) 0.007(4) -0.001(4) -0.021(5) C21 0.078(6) 0.054(5) 0.069(5) 0.010(4) 0.001(5) 0.006(4) C22 0.080(7) 0.074(6) 0.089(7) 0.017(5) -0.018(6) 0.019(5) C23 0.054(5) 0.079(6) 0.089(7) -0.002(5) -0.018(5) 0.021(4) C24 0.046(4) 0.065(5) 0.057(4) -0.012(4) -0.008(3) 0.010(3) C25 0.045(4) 0.072(5) 0.059(4) -0.006(4) -0.001(3) 0.005(4) N3 0.046(4) 0.061(4) 0.064(4) -0.007(3) 0.004(3) -0.012(3) O11 0.049(3) 0.085(4) 0.078(4) -0.004(3) 0.006(3) -0.017(3) O12 0.043(3) 0.038(2) 0.052(3) 0.0006(19) 0.004(2) -0.0042(19) C27 0.055(5) 0.043(4) 0.060(4) 0.002(3) 0.005(3) 0.003(3) C28 0.049(4) 0.054(4) 0.069(5) 0.001(4) -0.002(4) 0.005(3) O13 0.040(3) 0.047(3) 0.067(3) -0.004(2) 0.004(2) -0.001(2) C34 0.042(4) 0.061(5) 0.126(9) 0.005(5) 0.001(5) 0.002(4) C29 0.053(6) 0.090(7) 0.130(10) 0.037(7) 0.002(6) 0.013(5) C30 0.073(8) 0.100(9) 0.212(18) 0.068(11) 0.003(9) 0.016(7) C31 0.077(8) 0.070(6) 0.166(13) 0.050(7) -0.003(8) 0.002(6) C32 0.070(6) 0.052(4) 0.073(6) 0.020(4) 0.014(4) 0.009(4) C33 0.070(6) 0.044(4) 0.074(6) 0.012(4) 0.007(4) -0.005(4) N4 0.057(4) 0.054(4) 0.073(4) -0.005(3) 0.005(3) -0.008(3) O14 0.058(4) 0.056(4) 0.114(6) 0.005(3) 0.015(4) -0.021(3) N5 0.040(3) 0.052(3) 0.063(4) 0.003(3) 0.000(3) -0.007(3) O15 0.044(3) 0.056(3) 0.056(3) -0.008(2) 0.004(2) -0.011(2) O16 0.049(3) 0.050(3) 0.054(3) -0.003(2) 0.011(2) -0.007(2) O17 0.054(3) 0.061(3) 0.095(4) -0.006(3) 0.016(3) -0.026(3) N6 0.058(4) 0.054(3) 0.051(3) -0.005(3) 0.014(3) 0.002(3) O18 0.054(3) 0.052(3) 0.061(3) -0.008(2) 0.014(2) -0.006(2) O19 0.059(3) 0.054(3) 0.057(3) -0.010(2) 0.019(3) -0.014(2) O20 0.090(5) 0.070(4) 0.069(4) -0.018(3) 0.026(3) 0.012(3) O41 0.114(7) 0.118(7) 0.103(6) -0.027(5) 0.054(5) -0.028(6) C41 0.077(7) 0.091(7) 0.098(8) 0.015(6) 0.019(6) 0.006(6) O42 0.059(4) 0.108(6) 0.089(5) 0.006(4) 0.015(4) -0.010(4) C42 0.065(6) 0.117(9) 0.082(7) 0.012(6) 0.004(5) -0.002(6) O43 0.053(4) 0.154(8) 0.106(6) -0.056(6) 0.008(4) -0.018(4) C43 0.072(6) 0.068(5) 0.083(6) -0.010(5) 0.008(5) -0.007(5) _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 Dy1 O1 2.220(4) . ? Dy1 O6 2.342(4) 5_666 ? Dy1 O3 2.349(4) 5_666 ? Dy1 O8 2.416(4) . ? Dy1 O5 2.419(4) . ? Dy1 O16 2.471(5) . ? Dy1 O15 2.498(5) . ? Dy1 O4 2.500(5) 5_666 ? Dy1 O7 2.520(5) 5_666 ? Dy1 N5 2.923(6) . ? Dy1 Cu1 3.5032(8) 5_666 ? Dy1 Dy2 3.5502(4) . ? Dy2 O1 2.241(4) . ? Dy2 O9 2.339(5) . ? Dy2 O12 2.371(4) . ? Dy2 O5 2.373(4) . ? Dy2 O8 2.386(4) . ? Dy2 O19 2.471(5) . ? Dy2 O13 2.488(5) . ? Dy2 O10 2.495(5) . ? Dy2 O18 2.547(5) . ? Dy2 N6 2.946(6) . ? Dy2 Cu2 3.4776(9) . ? Cu1 O3 1.946(4) . ? Cu1 O6 1.961(4) . ? Cu1 N2 1.983(5) . ? Cu1 N1 1.991(5) . ? Cu1 O2 2.405(5) . ? Cu1 Dy1 3.5033(8) 5_666 ? Cu2 O9 1.933(5) . ? Cu2 O12 1.951(5) . ? Cu2 N3 1.958(7) . ? Cu2 N4 1.963(7) . ? Cu2 O2 2.497(5) . ? O1 H1 0.91(4) . ? O2 C2 1.433(10) . ? O2 H2 1.0000 . ? C2 H2A 0.9800 . ? C2 H2B 0.9800 . ? C2 H2C 0.9800 . ? O3 C3 1.348(7) . ? O3 Dy1 2.349(4) 5_666 ? C3 C4 1.396(9) . ? C3 C8 1.410(9) . ? C4 O4 1.391(8) . ? C4 C5 1.400(10) . ? O4 C10 1.442(9) . ? O4 Dy1 2.500(5) 5_666 ? C10 H10A 0.9800 . ? C10 H10B 0.9800 . ? C10 H10C 0.9800 . ? C5 C6 1.392(11) . ? C5 H5A 0.9500 . ? C6 C7 1.371(11) . ? C6 H6A 0.9500 . ? C7 C8 1.404(9) . ? C7 H7A 0.9500 . ? C8 C9 1.452(9) . ? C9 N1 1.274(9) . ? C9 H9A 0.9500 . ? N1 O5 1.379(7) . ? O6 C11 1.335(8) . ? O6 Dy1 2.342(4) 5_666 ? C11 C12 1.404(9) . ? C11 C16 1.408(9) . ? C12 O7 1.376(8) . ? C12 C13 1.392(10) . ? O7 C18 1.430(8) . ? O7 Dy1 2.520(5) 5_666 ? C18 H18A 0.9800 . ? C18 H18B 0.9800 . ? C18 H18C 0.9800 . ? C13 C14 1.399(11) . ? C13 H13A 0.9500 . ? C14 C15 1.358(11) . ? C14 H14A 0.9500 . ? C15 C16 1.405(10) . ? C15 H15A 0.9500 . ? C16 C17 1.444(9) . ? C17 N2 1.308(8) . ? C17 H17A 0.9500 . ? N2 O8 1.368(7) . ? O9 C19 1.358(9) . ? C19 C24 1.393(11) . ? C19 C20 1.395(11) . ? C20 O10 1.388(10) . ? C20 C21 1.395(12) . ? O10 C26 1.439(10) . ? C26 H26A 0.9800 . ? C26 H26B 0.9800 . ? C26 H26C 0.9800 . ? C21 C22 1.356(15) . ? C21 H21A 0.9500 . ? C22 C23 1.378(15) . ? C22 H22A 0.9500 . ? C23 C24 1.401(12) . ? C23 H23A 0.9500 . ? C24 C25 1.442(12) . ? C25 N3 1.297(11) . ? C25 H25A 0.9500 . ? N3 O11 1.377(9) . ? O12 C27 1.318(9) . ? C27 C28 1.400(11) . ? C27 C32 1.424(11) . ? C28 C29 1.380(13) . ? C28 O13 1.387(10) . ? O13 C34 1.431(10) . ? C34 H34A 0.9800 . ? C34 H34B 0.9800 . ? C34 H34C 0.9800 . ? C29 C30 1.444(17) . ? C29 H29A 0.9500 . ? C30 C31 1.333(19) . ? C30 H30A 0.9500 . ? C31 C32 1.409(14) . ? C31 H31A 0.9500 . ? C32 C33 1.419(14) . ? C33 N4 1.299(12) . ? C33 H33A 0.9500 . ? N4 O14 1.372(9) . ? O14 H14 0.8400 . ? N5 O17 1.208(8) . ? N5 O15 1.278(8) . ? N5 O16 1.284(8) . ? N6 O20 1.200(8) . ? N6 O18 1.263(8) . ? N6 O19 1.299(8) . ? O41 C41 1.449(14) . ? O41 H41 0.8400 . ? C41 H41A 0.9800 . ? C41 H41B 0.9800 . ? C41 H41C 0.9800 . ? O42 C42 1.419(12) . ? O42 H42 0.8400 . ? C42 H42A 0.9800 . ? C42 H42B 0.9800 . ? C42 H42C 0.9800 . ? O43 C43 1.367(12) . ? O43 H43 0.8400 . ? C43 H43A 0.9800 . ? C43 H43B 0.9800 . ? C43 H43C 0.9800 . ? loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle_publ_flag O1 Dy1 O6 143.34(17) . 5_666 ? O1 Dy1 O3 143.59(16) . 5_666 ? O6 Dy1 O3 63.33(15) 5_666 5_666 ? O1 Dy1 O8 68.96(15) . . ? O6 Dy1 O8 110.12(14) 5_666 . ? O3 Dy1 O8 78.45(14) 5_666 . ? O1 Dy1 O5 69.76(16) . . ? O6 Dy1 O5 76.79(14) 5_666 . ? O3 Dy1 O5 111.08(15) 5_666 . ? O8 Dy1 O5 65.29(14) . . ? O1 Dy1 O16 74.65(17) . . ? O6 Dy1 O16 119.24(16) 5_666 . ? O3 Dy1 O16 118.56(16) 5_666 . ? O8 Dy1 O16 130.34(16) . . ? O5 Dy1 O16 129.85(16) . . ? O1 Dy1 O15 126.14(17) . . ? O6 Dy1 O15 75.25(16) 5_666 . ? O3 Dy1 O15 76.10(16) 5_666 . ? O8 Dy1 O15 147.76(17) . . ? O5 Dy1 O15 143.49(16) . . ? O16 Dy1 O15 51.52(17) . . ? O1 Dy1 O4 91.15(17) . 5_666 ? O6 Dy1 O4 124.92(15) 5_666 5_666 ? O3 Dy1 O4 64.95(15) 5_666 5_666 ? O8 Dy1 O4 76.12(16) . 5_666 ? O5 Dy1 O4 140.87(15) . 5_666 ? O16 Dy1 O4 71.95(17) . 5_666 ? O15 Dy1 O4 75.35(17) . 5_666 ? O1 Dy1 O7 91.39(17) . 5_666 ? O6 Dy1 O7 65.07(15) 5_666 5_666 ? O3 Dy1 O7 124.55(15) 5_666 5_666 ? O8 Dy1 O7 139.29(16) . 5_666 ? O5 Dy1 O7 74.61(15) . 5_666 ? O16 Dy1 O7 72.11(17) . 5_666 ? O15 Dy1 O7 72.57(17) . 5_666 ? O4 Dy1 O7 141.85(16) 5_666 5_666 ? O1 Dy1 N5 100.38(18) . . ? O6 Dy1 N5 96.57(17) 5_666 . ? O3 Dy1 N5 98.50(17) 5_666 . ? O8 Dy1 N5 147.56(17) . . ? O5 Dy1 N5 141.71(16) . . ? O16 Dy1 N5 25.85(17) . . ? O15 Dy1 N5 25.78(17) . . ? O4 Dy1 N5 73.50(17) 5_666 . ? O7 Dy1 N5 68.61(17) 5_666 . ? O1 Dy1 Cu1 157.06(12) . 5_666 ? O6 Dy1 Cu1 32.03(10) 5_666 5_666 ? O3 Dy1 Cu1 31.69(11) 5_666 5_666 ? O8 Dy1 Cu1 91.60(10) . 5_666 ? O5 Dy1 Cu1 91.45(10) . 5_666 ? O16 Dy1 Cu1 128.29(12) . 5_666 ? O15 Dy1 Cu1 76.80(12) . 5_666 ? O4 Dy1 Cu1 95.98(11) 5_666 5_666 ? O7 Dy1 Cu1 96.27(11) 5_666 5_666 ? N5 Dy1 Cu1 102.56(13) . 5_666 ? O1 Dy1 Dy2 37.46(12) . . ? O6 Dy1 Dy2 116.93(11) 5_666 . ? O3 Dy1 Dy2 118.79(10) 5_666 . ? O8 Dy1 Dy2 42.00(10) . . ? O5 Dy1 Dy2 41.70(10) . . ? O16 Dy1 Dy2 112.10(12) . . ? O15 Dy1 Dy2 163.43(12) . . ? O4 Dy1 Dy2 103.43(11) 5_666 . ? O7 Dy1 Dy2 101.50(11) 5_666 . ? N5 Dy1 Dy2 137.70(13) . . ? Cu1 Dy1 Dy2 119.606(15) 5_666 . ? O1 Dy2 O9 143.06(18) . . ? O1 Dy2 O12 147.08(18) . . ? O9 Dy2 O12 64.09(17) . . ? O1 Dy2 O5 70.27(16) . . ? O9 Dy2 O5 79.10(16) . . ? O12 Dy2 O5 111.86(15) . . ? O1 Dy2 O8 69.19(16) . . ? O9 Dy2 O8 116.77(16) . . ? O12 Dy2 O8 81.48(16) . . ? O5 Dy2 O8 66.45(15) . . ? O1 Dy2 O19 74.91(16) . . ? O9 Dy2 O19 115.64(18) . . ? O12 Dy2 O19 114.23(17) . . ? O5 Dy2 O19 133.42(16) . . ? O8 Dy2 O19 126.77(17) . . ? O1 Dy2 O13 91.24(17) . . ? O9 Dy2 O13 125.66(17) . . ? O12 Dy2 O13 65.02(16) . . ? O5 Dy2 O13 138.47(16) . . ? O8 Dy2 O13 72.28(16) . . ? O19 Dy2 O13 70.57(19) . . ? O1 Dy2 O10 86.59(18) . . ? O9 Dy2 O10 65.03(17) . . ? O12 Dy2 O10 126.14(17) . . ? O5 Dy2 O10 74.03(15) . . ? O8 Dy2 O10 138.58(16) . . ? O19 Dy2 O10 73.96(19) . . ? O13 Dy2 O10 143.76(17) . . ? O1 Dy2 O18 125.80(16) . . ? O9 Dy2 O18 73.51(17) . . ? O12 Dy2 O18 71.02(17) . . ? O5 Dy2 O18 147.59(17) . . ? O8 Dy2 O18 142.55(17) . . ? O19 Dy2 O18 50.89(17) . . ? O13 Dy2 O18 73.25(18) . . ? O10 Dy2 O18 78.87(17) . . ? O1 Dy2 N6 100.68(17) . . ? O9 Dy2 N6 95.96(18) . . ? O12 Dy2 N6 91.02(17) . . ? O5 Dy2 N6 150.68(17) . . ? O8 Dy2 N6 137.99(17) . . ? O19 Dy2 N6 25.90(17) . . ? O13 Dy2 N6 67.17(18) . . ? O10 Dy2 N6 77.70(18) . . ? O18 Dy2 N6 25.27(17) . . ? O1 Dy2 Cu2 162.54(12) . . ? O9 Dy2 Cu2 31.79(12) . . ? O12 Dy2 Cu2 32.49(12) . . ? O5 Dy2 Cu2 93.81(10) . . ? O8 Dy2 Cu2 98.34(10) . . ? O19 Dy2 Cu2 122.43(12) . . ? O13 Dy2 Cu2 96.57(12) . . ? O10 Dy2 Cu2 96.08(12) . . ? O18 Dy2 Cu2 71.56(12) . . ? N6 Dy2 Cu2 96.74(13) . . ? O1 Dy2 Dy1 37.06(11) . . ? O9 Dy2 Dy1 121.16(12) . . ? O12 Dy2 Dy1 122.17(12) . . ? O5 Dy2 Dy1 42.69(10) . . ? O8 Dy2 Dy1 42.65(10) . . ? O19 Dy2 Dy1 111.91(12) . . ? O13 Dy2 Dy1 101.24(12) . . ? O10 Dy2 Dy1 98.58(12) . . ? O18 Dy2 Dy1 162.75(12) . . ? N6 Dy2 Dy1 137.48(13) . . ? Cu2 Dy2 Dy1 125.660(18) . . ? O3 Cu1 O6 78.15(18) . . ? O3 Cu1 N2 165.4(2) . . ? O6 Cu1 N2 90.5(2) . . ? O3 Cu1 N1 90.6(2) . . ? O6 Cu1 N1 165.35(19) . . ? N2 Cu1 N1 99.0(2) . . ? O3 Cu1 O2 90.83(18) . . ? O6 Cu1 O2 93.52(17) . . ? N2 Cu1 O2 99.02(19) . . ? N1 Cu1 O2 96.01(19) . . ? O3 Cu1 Dy1 39.35(13) . 5_666 ? O6 Cu1 Dy1 39.31(12) . 5_666 ? N2 Cu1 Dy1 127.76(16) . 5_666 ? N1 Cu1 Dy1 127.87(15) . 5_666 ? O2 Cu1 Dy1 97.66(12) . 5_666 ? O9 Cu2 O12 80.1(2) . . ? O9 Cu2 N3 91.6(3) . . ? O12 Cu2 N3 171.7(2) . . ? O9 Cu2 N4 165.4(3) . . ? O12 Cu2 N4 91.6(3) . . ? N3 Cu2 N4 96.6(3) . . ? O9 Cu2 O2 101.90(19) . . ? O12 Cu2 O2 91.94(18) . . ? N3 Cu2 O2 89.6(2) . . ? N4 Cu2 O2 90.3(2) . . ? O9 Cu2 Dy2 39.60(15) . . ? O12 Cu2 Dy2 40.75(13) . . ? N3 Cu2 Dy2 130.9(2) . . ? N4 Cu2 Dy2 132.0(2) . . ? O2 Cu2 Dy2 95.64(11) . . ? Dy1 O1 Dy2 105.48(19) . . ? Dy1 O1 H1 122(5) . . ? Dy2 O1 H1 130(5) . . ? C2 O2 Cu1 110.4(4) . . ? C2 O2 Cu2 104.5(4) . . ? Cu1 O2 Cu2 116.1(2) . . ? C2 O2 H2 108.5 . . ? Cu1 O2 H2 108.5 . . ? Cu2 O2 H2 108.5 . . ? O2 C2 H2A 109.5 . . ? O2 C2 H2B 109.5 . . ? H2A C2 H2B 109.5 . . ? O2 C2 H2C 109.5 . . ? H2A C2 H2C 109.5 . . ? H2B C2 H2C 109.5 . . ? C3 O3 Cu1 127.4(4) . . ? C3 O3 Dy1 123.4(4) . 5_666 ? Cu1 O3 Dy1 108.96(19) . 5_666 ? O3 C3 C4 118.5(6) . . ? O3 C3 C8 122.5(5) . . ? C4 C3 C8 119.1(6) . . ? O4 C4 C3 114.0(6) . . ? O4 C4 C5 125.1(6) . . ? C3 C4 C5 120.9(6) . . ? C4 O4 C10 116.6(6) . . ? C4 O4 Dy1 118.6(4) . 5_666 ? C10 O4 Dy1 124.3(4) . 5_666 ? O4 C10 H10A 109.5 . . ? O4 C10 H10B 109.5 . . ? H10A C10 H10B 109.5 . . ? O4 C10 H10C 109.5 . . ? H10A C10 H10C 109.5 . . ? H10B C10 H10C 109.5 . . ? C6 C5 C4 119.9(7) . . ? C6 C5 H5A 120.1 . . ? C4 C5 H5A 120.1 . . ? C7 C6 C5 119.4(7) . . ? C7 C6 H6A 120.3 . . ? C5 C6 H6A 120.3 . . ? C6 C7 C8 122.0(7) . . ? C6 C7 H7A 119.0 . . ? C8 C7 H7A 119.0 . . ? C7 C8 C3 118.7(6) . . ? C7 C8 C9 118.5(6) . . ? C3 C8 C9 122.5(6) . . ? N1 C9 C8 126.9(6) . . ? N1 C9 H9A 116.6 . . ? C8 C9 H9A 116.6 . . ? C9 N1 O5 113.3(5) . . ? C9 N1 Cu1 125.1(5) . . ? O5 N1 Cu1 121.5(4) . . ? N1 O5 Dy2 119.7(3) . . ? N1 O5 Dy1 116.2(3) . . ? Dy2 O5 Dy1 95.61(15) . . ? C11 O6 Cu1 128.6(4) . . ? C11 O6 Dy1 122.7(4) . 5_666 ? Cu1 O6 Dy1 108.67(18) . 5_666 ? O6 C11 C12 119.1(6) . . ? O6 C11 C16 122.7(6) . . ? C12 C11 C16 118.1(6) . . ? O7 C12 C13 124.1(6) . . ? O7 C12 C11 114.2(6) . . ? C13 C12 C11 121.7(7) . . ? C12 O7 C18 115.7(5) . . ? C12 O7 Dy1 117.2(4) . 5_666 ? C18 O7 Dy1 127.1(4) . 5_666 ? O7 C18 H18A 109.5 . . ? O7 C18 H18B 109.5 . . ? H18A C18 H18B 109.5 . . ? O7 C18 H18C 109.5 . . ? H18A C18 H18C 109.5 . . ? H18B C18 H18C 109.5 . . ? C12 C13 C14 118.6(7) . . ? C12 C13 H13A 120.7 . . ? C14 C13 H13A 120.7 . . ? C15 C14 C13 120.9(7) . . ? C15 C14 H14A 119.5 . . ? C13 C14 H14A 119.5 . . ? C14 C15 C16 120.9(7) . . ? C14 C15 H15A 119.5 . . ? C16 C15 H15A 119.5 . . ? C15 C16 C11 119.7(6) . . ? C15 C16 C17 117.8(6) . . ? C11 C16 C17 122.4(6) . . ? N2 C17 C16 127.5(6) . . ? N2 C17 H17A 116.2 . . ? C16 C17 H17A 116.2 . . ? C17 N2 O8 113.4(5) . . ? C17 N2 Cu1 125.0(5) . . ? O8 N2 Cu1 121.5(4) . . ? N2 O8 Dy2 122.4(3) . . ? N2 O8 Dy1 114.5(3) . . ? Dy2 O8 Dy1 95.35(15) . . ? C19 O9 Cu2 128.1(5) . . ? C19 O9 Dy2 123.1(5) . . ? Cu2 O9 Dy2 108.6(2) . . ? O9 C19 C24 123.2(7) . . ? O9 C19 C20 118.0(7) . . ? C24 C19 C20 118.8(7) . . ? O10 C20 C21 124.8(8) . . ? O10 C20 C19 114.1(7) . . ? C21 C20 C19 121.1(8) . . ? C20 O10 C26 115.1(6) . . ? C20 O10 Dy2 118.1(4) . . ? C26 O10 Dy2 124.5(5) . . ? O10 C26 H26A 109.5 . . ? O10 C26 H26B 109.5 . . ? H26A C26 H26B 109.5 . . ? O10 C26 H26C 109.5 . . ? H26A C26 H26C 109.5 . . ? H26B C26 H26C 109.5 . . ? C22 C21 C20 119.6(9) . . ? C22 C21 H21A 120.2 . . ? C20 C21 H21A 120.2 . . ? C21 C22 C23 120.4(9) . . ? C21 C22 H22A 119.8 . . ? C23 C22 H22A 119.8 . . ? C22 C23 C24 121.0(9) . . ? C22 C23 H23A 119.5 . . ? C24 C23 H23A 119.5 . . ? C19 C24 C23 118.9(8) . . ? C19 C24 C25 123.4(7) . . ? C23 C24 C25 117.6(8) . . ? N3 C25 C24 125.8(8) . . ? N3 C25 H25A 117.1 . . ? C24 C25 H25A 117.1 . . ? C25 N3 O11 114.6(7) . . ? C25 N3 Cu2 126.9(6) . . ? O11 N3 Cu2 118.2(5) . . ? C27 O12 Cu2 128.0(5) . . ? C27 O12 Dy2 123.3(4) . . ? Cu2 O12 Dy2 106.8(2) . . ? O12 C27 C28 118.6(7) . . ? O12 C27 C32 123.3(7) . . ? C28 C27 C32 117.9(7) . . ? C29 C28 O13 122.0(8) . . ? C29 C28 C27 123.3(8) . . ? O13 C28 C27 114.7(7) . . ? C28 O13 C34 117.2(6) . . ? C28 O13 Dy2 118.3(4) . . ? C34 O13 Dy2 123.5(5) . . ? O13 C34 H34A 109.5 . . ? O13 C34 H34B 109.5 . . ? H34A C34 H34B 109.5 . . ? O13 C34 H34C 109.5 . . ? H34A C34 H34C 109.5 . . ? H34B C34 H34C 109.5 . . ? C28 C29 C30 117.0(10) . . ? C28 C29 H29A 121.5 . . ? C30 C29 H29A 121.5 . . ? C31 C30 C29 120.6(11) . . ? C31 C30 H30A 119.7 . . ? C29 C30 H30A 119.7 . . ? C30 C31 C32 122.6(11) . . ? C30 C31 H31A 118.7 . . ? C32 C31 H31A 118.7 . . ? C31 C32 C33 118.1(9) . . ? C31 C32 C27 118.3(9) . . ? C33 C32 C27 123.5(8) . . ? N4 C33 C32 125.8(8) . . ? N4 C33 H33A 117.1 . . ? C32 C33 H33A 117.1 . . ? C33 N4 O14 112.4(7) . . ? C33 N4 Cu2 126.5(6) . . ? O14 N4 Cu2 120.9(6) . . ? N4 O14 H14 109.5 . . ? O17 N5 O15 122.4(7) . . ? O17 N5 O16 122.7(7) . . ? O15 N5 O16 114.9(6) . . ? O17 N5 Dy1 173.8(6) . . ? O15 N5 Dy1 58.2(3) . . ? O16 N5 Dy1 57.0(3) . . ? N5 O15 Dy1 96.0(4) . . ? N5 O16 Dy1 97.1(4) . . ? O20 N6 O18 123.8(7) . . ? O20 N6 O19 121.5(7) . . ? O18 N6 O19 114.7(6) . . ? O20 N6 Dy2 170.8(6) . . ? O18 N6 Dy2 59.4(3) . . ? O19 N6 Dy2 56.2(3) . . ? N6 O18 Dy2 95.3(4) . . ? N6 O19 Dy2 97.9(4) . . ? C41 O41 H41 109.5 . . ? O41 C41 H41A 109.5 . . ? O41 C41 H41B 109.5 . . ? H41A C41 H41B 109.5 . . ? O41 C41 H41C 109.5 . . ? H41A C41 H41C 109.5 . . ? H41B C41 H41C 109.5 . . ? C42 O42 H42 109.5 . . ? O42 C42 H42A 109.5 . . ? O42 C42 H42B 109.5 . . ? H42A C42 H42B 109.5 . . ? O42 C42 H42C 109.5 . . ? H42A C42 H42C 109.5 . . ? H42B C42 H42C 109.5 . . ? C43 O43 H43 109.5 . . ? O43 C43 H43A 109.5 . . ? O43 C43 H43B 109.5 . . ? H43A C43 H43B 109.5 . . ? O43 C43 H43C 109.5 . . ? H43A C43 H43C 109.5 . . ? H43B C43 H43C 109.5 . . ? loop_ _geom_hbond_atom_site_label_D _geom_hbond_atom_site_label_H _geom_hbond_atom_site_label_A _geom_hbond_distance_DH _geom_hbond_distance_HA _geom_hbond_distance_DA _geom_hbond_angle_DHA _geom_hbond_site_symmetry_A O1 H1 O41 0.91(4) 1.91(4) 2.805(9) 165(8) . O2 H2 O43 1.00 1.76 2.737(9) 163.5 . O14 H14 O11 0.84 1.59 2.414(10) 165.2 . O41 H41 O42 0.84 1.92 2.758(11) 172.1 . O42 H42 O19 0.84 2.06 2.876(8) 164.1 . O43 H43 O11 0.84 1.97 2.736(10) 151.5 . _refine_diff_density_max 0.811 _refine_diff_density_min -2.985 _refine_diff_density_rms 0.221 _shelxl_version_number 2013-2 _shelx_res_file ; TITL ik863a in Pbca CELL 0.71073 24.7894 14.3443 25.9290 90.000 90.000 90.000 ZERR 4.00 0.0010 0.0008 0.0011 0.000 0.000 0.000 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 N O CU DY UNIT 288 368 48 184 16 16 TEMP -123 SIZE 0.44 0.32 0.25 EQIV $1 -x+1, -y+1, -z+1 BIND O2 CU2 DFIX 0.92 0.04 O1 H1 DFIX 1.88 0.04 H41 O42 H42 O19 H43 O11 OMIT 1 12 6 L.S. 16 ACTA 50.5 BOND $H HTAB O1 O41 HTAB O2 O43 HTAB O14 O11 HTAB O41 O42 HTAB O42 O19 HTAB O43 O11 RTAB M..M DY1 DY2 RTAB M..M CU1 CU2 RTAB M..M CU1 DY1_$1 RTAB M..M CU2 DY2 RTAB M..M CU1 DY1 RTAB M..M CU1 DY2 FMAP 2 PLAN 30 WGHT 0.108000 FVAR 0.05843 DY1 6 0.595417 0.538073 0.413103 11.00000 0.03335 0.03660 = 0.04011 -0.00084 0.00287 -0.00206 DY2 6 0.554499 0.342737 0.338675 11.00000 0.03884 0.03815 = 0.04327 -0.00335 0.00506 -0.00371 CU1 5 0.474162 0.406955 0.473294 11.00000 0.03150 0.03479 = 0.03856 0.00054 0.00089 -0.00014 CU2 5 0.442603 0.203312 0.363054 11.00000 0.04051 0.04619 = 0.05377 -0.00285 0.00332 -0.00694 O1 4 0.615451 0.457890 0.342417 11.00000 0.04002 0.04175 = 0.04499 -0.00881 0.01104 -0.00784 H1 2 0.647897 0.463941 0.326009 11.00000 -1.20000 O2 4 0.421594 0.273031 0.448986 11.00000 0.04650 0.04569 = 0.04449 -0.00436 -0.00134 -0.00176 AFIX 13 H2 2 0.382579 0.290717 0.449589 11.00000 -1.20000 AFIX 0 C2 1 0.429831 0.198416 0.484853 11.00000 0.06464 0.05565 = 0.06179 -0.00936 0.00841 -0.00347 AFIX 137 H2A 2 0.466362 0.173418 0.480676 11.00000 -1.50000 H2B 2 0.403423 0.148965 0.478318 11.00000 -1.50000 H2C 2 0.425342 0.221818 0.520102 11.00000 -1.50000 AFIX 0 O3 4 0.409513 0.471373 0.496588 11.00000 0.03991 0.04121 = 0.03530 0.00010 -0.00110 0.00224 C3 1 0.370227 0.508619 0.467120 11.00000 0.03185 0.03259 = 0.04370 0.00001 0.00289 0.00254 C4 1 0.321462 0.532555 0.490545 11.00000 0.03825 0.03873 = 0.04825 0.00126 0.00394 0.00284 O4 4 0.320408 0.517311 0.543521 11.00000 0.03213 0.05286 = 0.04645 -0.00083 0.00442 0.00424 C10 1 0.272493 0.546965 0.570471 11.00000 0.04271 0.07565 = 0.06037 -0.00046 0.01323 0.00974 AFIX 137 H10A 2 0.264625 0.612044 0.561770 11.00000 -1.50000 H10B 2 0.278275 0.541423 0.607734 11.00000 -1.50000 H10C 2 0.242023 0.507577 0.560220 11.00000 -1.50000 AFIX 0 C5 1 0.278837 0.569405 0.461605 11.00000 0.02896 0.04882 = 0.06626 0.00544 -0.00069 0.00435 AFIX 43 H5A 2 0.245924 0.585759 0.478049 11.00000 -1.20000 AFIX 0 C6 1 0.284768 0.582044 0.408673 11.00000 0.04128 0.05795 = 0.06325 0.00481 -0.00736 0.01126 AFIX 43 H6A 2 0.255639 0.605283 0.388633 11.00000 -1.20000 AFIX 0 C7 1 0.333040 0.560641 0.385733 11.00000 0.04651 0.05085 = 0.04816 0.00518 -0.00499 0.00807 AFIX 43 H7A 2 0.337183 0.571174 0.349778 11.00000 -1.20000 AFIX 0 C8 1 0.376534 0.523645 0.413724 11.00000 0.03432 0.03629 = 0.04588 0.00030 -0.00573 -0.00171 C9 1 0.427768 0.510975 0.387489 11.00000 0.03906 0.03793 = 0.04170 0.00028 0.00292 -0.00188 AFIX 43 H9A 2 0.430316 0.535213 0.353479 11.00000 -1.20000 AFIX 0 N1 3 0.469658 0.470788 0.405263 11.00000 0.03410 0.03388 = 0.04189 -0.00089 0.00242 -0.00222 O5 4 0.514012 0.478807 0.373497 11.00000 0.03081 0.03898 = 0.03822 0.00254 0.00464 -0.00111 O6 4 0.472883 0.375330 0.546867 11.00000 0.03380 0.03310 = 0.04223 -0.00051 0.00091 0.00367 C11 1 0.502667 0.312682 0.572119 11.00000 0.03334 0.03611 = 0.04349 0.00223 -0.00192 -0.00193 C12 1 0.487353 0.285990 0.622098 11.00000 0.04305 0.04494 = 0.04566 0.00354 -0.00191 0.00212 O7 4 0.441236 0.328793 0.639753 11.00000 0.04605 0.04269 = 0.04256 0.00747 0.00480 0.00134 C18 1 0.420365 0.294302 0.687508 11.00000 0.05456 0.06584 = 0.04172 0.00551 0.01049 0.00226 AFIX 137 H18A 2 0.409361 0.229133 0.683259 11.00000 -1.50000 H18B 2 0.389114 0.331734 0.697851 11.00000 -1.50000 H18C 2 0.448322 0.298405 0.714135 11.00000 -1.50000 AFIX 0 C13 1 0.516803 0.220840 0.650235 11.00000 0.05480 0.05445 = 0.05350 0.01850 0.00342 0.00860 AFIX 43 H13A 2 0.504882 0.201029 0.683286 11.00000 -1.20000 AFIX 0 C14 1 0.564301 0.185168 0.628834 11.00000 0.05446 0.06137 = 0.06328 0.02047 0.00149 0.00740 AFIX 43 H14A 2 0.585668 0.142839 0.648244 11.00000 -1.20000 AFIX 0 C15 1 0.580309 0.210200 0.580682 11.00000 0.03955 0.05140 = 0.06111 0.01244 0.00323 0.00451 AFIX 43 H15A 2 0.612588 0.184818 0.566794 11.00000 -1.20000 AFIX 0 C16 1 0.549781 0.273119 0.551133 11.00000 0.03976 0.03605 = 0.04762 0.00851 0.00452 0.00011 C17 1 0.570770 0.300217 0.501405 11.00000 0.03676 0.03510 = 0.05334 0.00335 -0.00317 0.00052 AFIX 43 H17A 2 0.605687 0.277584 0.492966 11.00000 -1.20000 AFIX 0 N2 3 0.547288 0.352302 0.466637 11.00000 0.03595 0.03608 = 0.03575 0.00198 0.00198 0.00019 O8 4 0.579989 0.373358 0.425775 11.00000 0.03770 0.03824 = 0.03661 -0.00135 0.00794 -0.00177 O9 4 0.463233 0.311830 0.323490 11.00000 0.04025 0.05164 = 0.04752 0.00080 -0.00089 0.00090 C19 1 0.432803 0.361463 0.289692 11.00000 0.05410 0.04925 = 0.04700 -0.01106 -0.00118 0.00481 C20 1 0.458896 0.425791 0.257962 11.00000 0.06097 0.04185 = 0.05259 -0.00658 -0.00136 0.00670 O10 4 0.514525 0.427884 0.263972 11.00000 0.05972 0.05013 = 0.04153 -0.00262 0.00109 -0.00333 C26 1 0.541880 0.499151 0.234937 11.00000 0.07934 0.06934 = 0.05354 0.00693 -0.00085 -0.02100 AFIX 137 H26A 2 0.536296 0.488435 0.197993 11.00000 -1.50000 H26B 2 0.580562 0.497153 0.242659 11.00000 -1.50000 H26C 2 0.527407 0.560389 0.244389 11.00000 -1.50000 AFIX 0 C21 1 0.429911 0.481805 0.223805 11.00000 0.07751 0.05378 = 0.06893 0.01031 0.00052 0.00612 AFIX 43 H21A 2 0.448101 0.526478 0.203088 11.00000 -1.20000 AFIX 0 C22 1 0.375603 0.472103 0.220349 11.00000 0.07975 0.07351 = 0.08863 0.01651 -0.01784 0.01918 AFIX 43 H22A 2 0.355617 0.511476 0.197925 11.00000 -1.20000 AFIX 0 C23 1 0.349248 0.405472 0.249173 11.00000 0.05446 0.07888 = 0.08906 -0.00212 -0.01755 0.02114 AFIX 43 H23A 2 0.311441 0.397456 0.245150 11.00000 -1.20000 AFIX 0 C24 1 0.377335 0.349364 0.284320 11.00000 0.04578 0.06536 = 0.05709 -0.01175 -0.00847 0.00995 C25 1 0.346891 0.280814 0.312718 11.00000 0.04521 0.07169 = 0.05868 -0.00621 -0.00134 0.00455 AFIX 43 H25A 2 0.308787 0.281898 0.308855 11.00000 -1.20000 AFIX 0 N3 3 0.366884 0.217818 0.343060 11.00000 0.04649 0.06074 = 0.06351 -0.00730 0.00382 -0.01216 O11 4 0.329176 0.161203 0.366281 11.00000 0.04928 0.08489 = 0.07773 -0.00366 0.00583 -0.01712 O12 4 0.519930 0.205130 0.377033 11.00000 0.04263 0.03804 = 0.05213 0.00057 0.00359 -0.00423 C27 1 0.550696 0.135648 0.392624 11.00000 0.05457 0.04341 = 0.06020 0.00187 0.00539 0.00278 C28 1 0.606736 0.144428 0.387795 11.00000 0.04893 0.05354 = 0.06943 0.00060 -0.00158 0.00525 O13 4 0.623743 0.225519 0.363619 11.00000 0.03968 0.04712 = 0.06692 -0.00430 0.00361 -0.00061 C34 1 0.680487 0.243647 0.362907 11.00000 0.04225 0.06083 = 0.12615 0.00542 0.00055 0.00194 AFIX 137 H34A 2 0.694747 0.240150 0.398105 11.00000 -1.50000 H34B 2 0.687021 0.306058 0.348857 11.00000 -1.50000 H34C 2 0.698566 0.197151 0.341270 11.00000 -1.50000 AFIX 0 C29 1 0.642579 0.076894 0.403991 11.00000 0.05324 0.09010 = 0.13047 0.03652 0.00168 0.01323 AFIX 43 H29A 2 0.680463 0.086583 0.402653 11.00000 -1.20000 AFIX 0 C30 1 0.619884 -0.009178 0.423067 11.00000 0.07342 0.10003 = 0.21236 0.06808 0.00272 0.01622 AFIX 43 H30A 2 0.643144 -0.058440 0.433323 11.00000 -1.20000 AFIX 0 C31 1 0.566621 -0.020144 0.426417 11.00000 0.07682 0.07030 = 0.16588 0.04987 -0.00349 0.00196 AFIX 43 H31A 2 0.552905 -0.077025 0.439842 11.00000 -1.20000 AFIX 0 C32 1 0.529818 0.049249 0.410845 11.00000 0.07032 0.05217 = 0.07281 0.01962 0.01358 0.00928 C33 1 0.473968 0.027592 0.412066 11.00000 0.07023 0.04435 = 0.07400 0.01152 0.00743 -0.00504 AFIX 43 H33A 2 0.463778 -0.028571 0.428864 11.00000 -1.20000 AFIX 0 N4 3 0.435533 0.077692 0.392271 11.00000 0.05718 0.05380 = 0.07260 -0.00534 0.00469 -0.00815 O14 4 0.385876 0.036400 0.397302 11.00000 0.05825 0.05633 = 0.11435 0.00486 0.01466 -0.02056 AFIX 147 H14 2 0.361775 0.074090 0.388144 11.00000 -1.50000 AFIX 0 N5 3 0.673497 0.690049 0.405162 11.00000 0.04011 0.05242 = 0.06265 0.00288 0.00028 -0.00733 O15 4 0.640987 0.683493 0.443243 11.00000 0.04409 0.05641 = 0.05600 -0.00812 0.00410 -0.01122 O16 4 0.672708 0.620631 0.373907 11.00000 0.04854 0.05023 = 0.05376 -0.00332 0.01104 -0.00720 O17 4 0.702332 0.757016 0.398859 11.00000 0.05391 0.06124 = 0.09455 -0.00564 0.01646 -0.02601 N6 3 0.595542 0.235619 0.250050 11.00000 0.05788 0.05439 = 0.05106 -0.00549 0.01409 0.00164 O18 4 0.551246 0.214197 0.270996 11.00000 0.05389 0.05178 = 0.06102 -0.00778 0.01355 -0.00571 O19 4 0.615683 0.314686 0.265049 11.00000 0.05927 0.05352 = 0.05720 -0.01039 0.01921 -0.01378 O20 4 0.617920 0.188103 0.218532 11.00000 0.08999 0.07027 = 0.06879 -0.01780 0.02596 0.01152 O41 4 0.704641 0.490318 0.278315 11.00000 0.11426 0.11797 = 0.10275 -0.02738 0.05418 -0.02804 AFIX 147 H41 2 0.705574 0.448635 0.255578 11.00000 -1.50000 AFIX 0 C41 1 0.724170 0.577240 0.256819 11.00000 0.07677 0.09125 = 0.09801 0.01505 0.01858 0.00623 AFIX 137 H41A 2 0.693443 0.616322 0.246916 11.00000 -1.50000 H41B 2 0.746324 0.564225 0.226355 11.00000 -1.50000 H41C 2 0.745951 0.609962 0.282649 11.00000 -1.50000 AFIX 0 O42 4 0.714668 0.344618 0.209580 11.00000 0.05870 0.10785 = 0.08857 0.00584 0.01515 -0.00952 AFIX 147 H42 2 0.684116 0.329322 0.220748 11.00000 -1.50000 AFIX 0 C42 1 0.711166 0.363975 0.156034 11.00000 0.06466 0.11695 = 0.08249 0.01229 0.00433 -0.00171 AFIX 137 H42A 2 0.683227 0.411084 0.150044 11.00000 -1.50000 H42B 2 0.701882 0.306757 0.137387 11.00000 -1.50000 H42C 2 0.745968 0.387459 0.143680 11.00000 -1.50000 AFIX 0 O43 4 0.311855 0.290237 0.442187 11.00000 0.05268 0.15361 = 0.10594 -0.05564 0.00752 -0.01797 AFIX 147 H43 2 0.306309 0.245197 0.422173 11.00000 -1.50000 AFIX 0 C43 1 0.265888 0.308861 0.469458 11.00000 0.07181 0.06778 = 0.08331 -0.00954 0.00834 -0.00686 AFIX 137 H43A 2 0.270328 0.287549 0.505116 11.00000 -1.50000 H43B 2 0.235363 0.276238 0.453612 11.00000 -1.50000 H43C 2 0.259029 0.376143 0.469192 11.00000 -1.50000 AFIX 0 HKLF 4 REM ik863a in Pbca REM R1 = 0.0566 for 7502 Fo > 4sig(Fo) and 0.0687 for all 9387 data REM 637 parameters refined using 4 restraints END WGHT 0.1077 0.0000 REM Highest difference peak 0.811, deepest hole -2.985, 1-sigma level 0.221 Q1 1 0.5284 0.3558 0.3906 11.00000 0.05 0.81 Q2 1 0.5965 0.6374 0.4070 11.00000 0.05 0.76 Q3 1 0.5942 0.4576 0.3834 11.00000 0.05 0.70 Q4 1 0.5562 0.4411 0.3479 11.00000 0.05 0.70 Q5 1 0.5166 0.3212 0.3820 11.00000 0.05 0.69 Q6 1 0.5520 0.2423 0.3345 11.00000 0.05 0.66 Q7 1 0.5961 0.4374 0.4231 11.00000 0.05 0.66 Q8 1 0.5530 0.4241 0.3702 11.00000 0.05 0.65 Q9 1 0.6282 0.5496 0.4602 11.00000 0.05 0.63 Q10 1 0.5085 0.2749 0.3403 11.00000 0.05 0.62 Q11 1 0.6188 0.5344 0.3595 11.00000 0.05 0.60 Q12 1 0.5169 0.5524 0.3664 11.00000 0.05 0.57 Q13 1 0.5571 0.5546 0.3681 11.00000 0.05 0.55 Q14 1 0.5538 0.2575 0.3143 11.00000 0.05 0.54 Q15 1 0.4792 0.3082 0.4762 11.00000 0.05 0.54 Q16 1 0.5105 0.4296 0.5180 11.00000 0.05 0.54 Q17 1 0.4514 0.4157 0.6612 11.00000 0.05 0.54 Q18 1 0.6397 0.6073 0.4239 11.00000 0.05 0.53 Q19 1 0.6308 0.6218 0.4148 11.00000 0.05 0.52 Q20 1 0.6318 0.5611 0.3675 11.00000 0.05 0.52 Q21 1 0.4885 0.2588 0.3785 11.00000 0.05 0.52 Q22 1 0.4821 0.2420 0.3301 11.00000 0.05 0.51 Q23 1 0.5225 0.4442 0.5406 11.00000 0.05 0.51 Q24 1 0.6778 0.5338 0.2527 11.00000 0.05 0.50 Q25 1 0.5907 0.3803 0.3807 11.00000 0.05 0.49 Q26 1 0.5644 0.5354 0.4568 11.00000 0.05 0.49 Q27 1 0.4984 0.2404 0.2928 11.00000 0.05 0.49 Q28 1 0.4926 0.4603 0.5587 11.00000 0.05 0.48 Q29 1 0.4963 0.3113 0.2688 11.00000 0.05 0.48 Q30 1 0.5039 0.2547 0.6358 11.00000 0.05 0.48 ; _shelx_res_checksum 17561 _shelx_hkl_file ; -17 -14 -8 5.85 2.50 -17 -13 2 2.49 2.88 -17 -13 -5 0.88 2.21 -17 -13 -6 1.28 2.64 -16 -13 -11 1.84 2.16 -15 -13 -14 -0.81 2.09 -11 -13 18 0.02 3.79 -16 -12 -9 8.95 2.13 -15 -12 -13 0.92 2.11 -14 -12 -16 -0.84 2.03 -13 -12 -18 4.69 2.12 -12 -12 -20 -0.75 1.98 -11 -12 -21 0.88 1.44 -10 -12 19 3.69 3.25 -9 -12 20 10.47 3.90 -16 -11 2 2.06 3.04 -16 -11 -4 53.57 2.53 -16 -11 -5 1.49 2.05 -16 -11 -6 12.56 2.72 -15 -11 -11 21.47 2.09 -14 -11 -14 2.14 1.93 -13 -11 -17 1.44 1.91 -12 -11 -19 4.17 2.06 -11 -11 16 29.17 4.36 -11 -11 -20 43.25 2.39 -10 -11 18 -0.22 3.10 -10 -11 -22 0.92 1.95 -9 -11 19 0.87 3.53 -9 -11 -23 2.68 1.97 -6 -11 23 4.67 2.50 -5 -11 24 -0.86 2.49 -15 -10 -7 12.05 2.05 -15 -10 -8 106.46 2.60 -14 -10 -12 12.44 1.96 -13 -10 -15 6.60 1.92 -12 -10 13 2.73 3.56 -12 -10 -17 2.34 1.84 -11 -10 15 8.39 3.23 -11 -10 -19 4.77 1.99 -10 -10 -21 16.15 2.02 -9 -10 18 0.49 3.26 -9 -10 -22 1.54 1.97 -7 -10 -25 0.53 1.91 -6 -10 22 0.97 2.42 -6 -10 -26 1.06 1.97 -5 -10 23 1.69 2.36 -4 -10 24 0.96 2.47 -1 -10 26 4.70 2.97 -14 -9 -9 33.14 2.05 -13 -9 8 0.05 2.10 -13 -9 -13 3.06 1.98 -12 -9 11 39.10 5.33 -12 -9 -15 7.21 1.85 -11 -9 -17 29.03 1.96 -10 -9 15 0.77 3.06 -10 -9 -19 3.82 1.85 -9 -9 -21 24.84 2.00 -8 -9 18 60.67 3.74 -8 -9 -22 9.87 1.92 -6 -9 -25 1.17 1.88 -5 -9 22 7.12 2.33 -5 -9 -26 17.07 2.11 -4 -9 23 29.51 2.03 -4 -9 -27 7.77 2.09 -1 -9 25 29.24 3.04 0 -9 26 1.89 2.29 2 -9 27 7.64 2.47 -13 -8 -9 63.36 2.18 -12 -8 -13 19.84 2.02 -11 -8 11 84.12 5.08 -11 -8 -15 26.46 1.99 -10 -8 -17 56.71 1.60 -9 -8 15 32.32 3.26 -9 -8 -19 62.58 2.13 -8 -8 -21 2.31 1.82 -7 -8 18 1.34 2.56 -7 -8 -22 0.90 1.83 -6 -8 -23 4.76 1.34 -3 -8 -26 5.51 1.37 -2 -8 23 10.86 2.77 -2 -8 -27 6.64 1.99 -1 -8 24 2.62 2.08 -1 -8 -28 0.25 1.90 0 -8 25 1.36 2.19 2 -8 26 -0.30 2.26 3 -8 27 0.60 1.58 4 -8 27 22.67 2.51 6 -8 28 -2.52 2.26 -12 -7 -9 28.21 1.94 -11 -7 -13 45.56 1.99 -10 -7 11 102.41 4.54 -10 -7 -15 1.12 1.77 -9 -7 13 97.55 3.83 -9 -7 -17 9.85 1.83 -8 -7 -19 2.54 1.77 -7 -7 -20 53.79 1.63 -6 -7 -22 13.24 1.89 -5 -7 19 6.41 2.12 -5 -7 -23 4.29 1.84 -4 -7 20 1.16 2.15 -3 -7 21 -0.27 2.21 -3 -7 -25 2.54 1.89 -2 -7 22 187.86 3.15 -2 -7 -26 9.06 1.93 -1 -7 23 3.53 1.52 -1 -7 -27 -0.10 1.90 1 -7 24 7.39 2.64 1 -7 -28 2.94 1.85 2 -7 25 0.20 2.11 2 -7 -29 3.43 2.04 4 -7 26 1.56 2.22 6 -7 27 10.02 2.39 7 -7 27 1.01 2.17 8 -7 28 15.86 1.77 9 -7 28 -2.42 2.22 -11 -6 5 127.80 5.76 -11 -6 -8 2.94 1.70 -11 -6 -9 36.25 1.89 -10 -6 -12 73.22 2.12 -9 -6 -14 -0.48 1.21 -7 -6 -18 34.74 1.91 -6 -6 16 87.54 2.74 -6 -6 -20 5.60 1.73 -5 -6 17 1.65 2.44 -5 -6 -21 16.76 1.84 -4 -6 -22 0.49 1.76 -3 -6 -23 54.68 1.62 -2 -6 -24 33.54 1.53 -1 -6 21 10.21 2.52 -1 -6 -25 1.48 1.84 0 -6 22 4.27 2.07 0 -6 -26 4.05 1.80 1 -6 23 17.90 2.18 1 -6 -27 6.05 1.89 3 -6 24 44.98 2.46 3 -6 -28 1.95 1.92 4 -6 25 25.00 1.73 5 -6 25 38.65 2.22 5 -6 -29 5.32 2.10 6 -6 26 -0.60 1.47 9 -6 27 2.53 1.42 10 -6 27 6.11 2.16 -10 -5 -6 -0.32 1.68 -10 -5 -7 23.95 1.85 -9 -5 -11 42.40 2.01 -8 -5 -13 0.28 1.17 -7 -5 -16 5.93 1.69 -6 -5 -17 15.37 1.28 -5 -5 15 81.61 2.46 -5 -5 -19 12.47 1.80 -4 -5 -20 2.22 1.74 -3 -5 -21 2.10 1.21 0 -5 -24 -1.38 1.30 1 -5 21 4.68 1.98 1 -5 -25 29.83 1.94 2 -5 22 -0.30 2.06 2 -5 -26 4.20 1.87 4 -5 23 4.74 2.11 4 -5 -27 2.67 1.86 5 -5 24 5.81 1.44 6 -5 24 4.21 2.04 6 -5 -28 3.42 2.00 8 -5 25 20.48 2.16 8 -5 -29 4.48 1.96 9 -5 25 -0.37 1.99 9 -5 -29 1.44 2.04 10 -5 26 0.84 1.43 11 -5 26 -0.51 2.01 12 -5 26 3.81 1.98 13 -5 26 -0.30 1.98 -8 -4 -9 0.95 1.81 -7 -4 8 2.98 2.83 -7 -4 -12 49.67 2.02 -6 -4 -14 -1.54 1.80 -5 -4 12 193.63 3.59 -5 -4 -16 51.15 1.94 -4 -4 -18 49.02 1.88 -3 -4 15 160.60 3.13 -3 -4 -19 3.17 1.69 -2 -4 -20 3.19 1.78 -1 -4 -21 2.19 1.23 0 -4 -22 359.14 3.16 1 -4 19 14.64 1.92 1 -4 -23 15.91 1.79 2 -4 20 3.64 1.96 2 -4 -24 0.53 1.73 3 -4 21 0.86 1.31 4 -4 -25 2.12 1.88 5 -4 22 1.86 1.90 5 -4 -26 25.73 1.99 7 -4 23 85.57 2.31 7 -4 -27 1.88 1.88 8 -4 23 97.41 2.49 8 -4 -27 13.63 2.05 9 -4 24 13.43 1.46 10 -4 24 81.86 2.33 10 -4 -28 31.03 2.30 11 -4 24 7.00 1.98 11 -4 -28 2.46 2.13 13 -4 25 5.45 1.41 14 -4 25 6.77 1.51 15 -4 25 11.13 2.07 16 -4 25 25.71 2.16 17 -4 25 10.52 2.06 18 -4 25 1.75 2.02 -7 -3 -5 161.93 2.88 -6 -3 -10 19.96 1.92 -5 -3 -12 14.47 1.38 -4 -3 -14 23.36 1.41 -3 -3 12 36.77 2.46 -3 -3 -16 10.61 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19 31.18 1.99 8 -2 -23 113.89 2.32 9 -2 20 92.28 1.76 10 -2 20 2.37 1.78 10 -2 -24 69.47 2.26 11 -2 20 24.71 1.86 11 -2 -24 4.72 1.89 12 -2 21 -0.72 1.28 13 -2 21 21.59 1.45 13 -2 -25 30.18 2.73 14 -2 21 1.01 1.80 14 -2 -25 8.82 2.08 15 -2 21 24.87 1.98 15 -2 -25 17.98 2.19 16 -2 21 -1.24 1.83 16 -2 -25 22.28 2.32 17 -2 21 26.41 1.97 17 -2 -25 0.93 2.12 18 -2 21 33.14 2.02 18 -2 -25 7.08 2.26 19 -2 21 7.27 1.96 19 -2 -25 4.74 2.37 20 -2 21 28.73 2.11 21 -2 21 1.06 1.30 23 -2 20 71.76 2.34 24 -2 20 3.00 2.00 -2 -1 4 3.81 3.03 -2 -1 -8 22.28 2.18 -1 -1 7 1.38 2.03 -1 -1 -11 187.50 2.86 0 -1 9 0.91 1.96 0 -1 -13 0.00 1.80 1 -1 -14 264.03 2.88 2 -1 12 118.96 2.08 3 -1 13 10.32 1.39 4 -1 14 32.92 1.52 6 -1 15 20.64 1.88 6 -1 -19 46.96 1.97 7 -1 16 23.69 1.86 7 -1 -20 99.87 2.17 9 -1 17 93.49 2.11 9 -1 -21 60.91 2.12 11 -1 18 11.19 1.34 11 -1 -22 26.44 2.43 12 -1 18 59.17 1.97 12 -1 -22 44.52 2.18 13 -1 18 3.57 1.78 15 -1 19 69.15 1.65 16 -1 19 0.47 1.28 17 -1 19 74.02 1.79 18 -1 19 21.78 1.41 19 -1 19 9.29 1.36 21 -1 18 3.04 1.81 22 -1 18 49.53 2.12 22 -1 -22 25.68 3.25 23 -1 18 0.54 1.34 24 -1 17 1.51 1.83 25 -1 17 19.08 2.13 26 -1 16 5.22 2.09 0 0 -4 1641.87 9.30 1 0 -8 236.27 3.31 3 0 8 27.19 2.16 3 0 -12 25.48 1.89 5 0 11 1.37 1.28 6 0 12 898.75 3.98 8 0 13 3.05 1.84 8 0 -17 0.33 1.67 9 0 14 534.66 3.13 9 0 -18 41.05 2.33 10 0 14 21.71 1.88 10 0 -18 280.44 3.15 11 0 15 -0.34 1.18 12 0 15 -0.80 1.74 12 0 -19 -0.52 1.80 13 0 15 0.10 1.74 15 0 16 73.03 1.67 16 0 16 26.98 1.84 16 0 -20 6.77 2.47 17 0 16 10.75 1.78 17 0 -20 0.61 2.32 18 0 16 6.84 1.77 18 0 -20 6.90 2.83 19 0 16 54.48 1.62 20 0 15 0.84 1.73 21 0 15 -0.72 1.81 22 0 15 1.91 1.84 22 0 -19 1.06 2.98 23 0 15 -0.09 1.33 24 0 14 -0.93 1.88 25 0 14 77.27 2.00 25 0 -18 6.30 4.10 26 0 13 -1.99 2.00 27 0 12 1.59 1.99 28 0 11 0.53 2.01 29 0 10 52.52 2.62 4 1 2 69.05 2.90 4 1 -6 9.65 2.42 6 1 6 135.08 2.64 6 1 -10 32.33 2.06 9 1 9 224.83 2.68 10 1 10 5.49 1.82 10 1 -14 42.51 2.44 11 1 11 198.30 2.18 12 1 11 6.03 1.80 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6 1.70 1.99 8 -11 5 2.59 1.98 10 -11 4 27.10 1.98 12 -11 3 90.87 2.27 14 -11 2 35.43 2.04 17 -11 0 1.93 1.34 18 -11 -1 17.75 1.96 19 -11 -2 27.22 2.10 20 -11 -3 12.99 2.08 21 -11 -4 1.01 2.02 22 -11 -5 1.55 2.13 23 -11 -6 0.88 1.48 -25 -10 0 0.42 5.54 -12 -10 6 81.67 3.82 -6 -10 7 28.83 2.82 -5 -10 7 2.29 2.49 -4 -10 7 81.53 2.84 -3 -10 7 26.51 2.60 -2 -10 7 5.58 2.02 -1 -10 7 1.18 1.92 4 -10 6 29.66 2.07 8 -10 5 51.77 1.63 10 -10 4 1.28 1.97 12 -10 3 1.80 1.88 14 -10 2 1.59 1.30 15 -10 1 7.52 1.89 18 -10 -1 7.41 1.93 19 -10 -2 16.23 1.97 20 -10 -3 17.51 2.00 21 -10 -4 20.81 2.09 22 -10 -5 1.42 2.01 24 -10 -8 8.18 2.19 3 -9 6 32.45 2.73 4 -9 6 371.78 3.43 7 -9 5 3.36 1.91 13 -9 2 -0.01 1.88 15 -9 1 1.29 1.87 16 -9 0 25.60 1.97 23 -9 -7 5.29 2.17 24 -9 -8 4.53 2.17 -10 -8 6 46.42 3.39 2 -8 6 5.91 2.05 6 -8 5 75.66 2.26 9 -8 4 1.85 1.34 11 -8 3 90.24 2.20 13 -8 2 23.88 1.39 17 -8 -1 68.54 2.19 18 -8 -2 -0.98 1.84 19 -8 -3 4.69 1.88 20 -8 -4 11.02 2.13 21 -8 -5 8.45 1.97 22 -8 -6 18.35 2.04 24 -8 -9 3.92 2.61 -28 -7 -4 4.79 3.61 -27 -7 -3 14.73 3.82 -26 -7 -2 6.03 3.91 -22 -7 1 5.16 3.91 -7 -7 6 13.12 2.64 -1 -7 6 93.71 2.47 0 -7 6 0.33 2.04 5 -7 5 5.92 1.51 8 -7 4 8.84 1.43 10 -7 3 11.18 1.98 12 -7 2 12.76 1.90 15 -7 0 0.81 1.83 23 -7 -8 24.74 2.05 25 -7 -11 4.88 2.14 -25 -6 -2 11.11 3.30 -24 -6 -1 2.53 3.64 -21 -6 1 2.06 3.36 3 -6 5 151.84 2.37 6 -6 4 9.06 1.90 9 -6 3 35.34 2.13 11 -6 2 70.56 2.22 14 -6 0 -0.80 1.96 17 -6 -2 27.69 1.98 18 -6 -3 1.88 1.87 19 -6 -4 2.24 1.88 20 -6 -5 0.46 1.96 23 -6 -9 1.43 1.94 25 -6 -12 4.21 2.20 -23 -5 -1 20.32 3.16 -18 -5 2 22.90 3.74 -6 -5 5 47.49 3.10 -5 -5 5 3.62 3.11 -3 -5 5 86.66 3.14 -2 -5 5 24.06 2.78 4 -5 4 496.15 4.10 7 -5 3 8.57 2.00 13 -5 0 -1.12 2.00 16 -5 -2 28.36 2.02 17 -5 -3 68.83 2.14 18 -5 -4 74.96 2.31 19 -5 -5 5.18 1.86 20 -5 -6 83.06 2.28 21 -5 -7 3.39 1.82 23 -5 -10 2.46 2.21 -29 -4 -8 5.54 2.71 -23 -4 -2 3.80 2.86 -20 -4 0 0.93 2.78 1 -4 4 6.18 2.26 5 -4 3 33.09 2.46 8 -4 2 52.21 2.37 10 -4 1 4.37 2.03 16 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24.22 2.34 23 -9 -12 0.72 2.27 -12 -8 5 35.45 3.88 -1 -8 5 92.98 2.52 3 -8 4 18.13 2.13 6 -8 3 257.65 2.99 8 -8 2 2.54 1.95 10 -8 1 437.87 3.30 13 -8 -1 51.31 2.06 21 -8 -9 19.86 2.22 23 -8 -12 0.50 2.24 24 -8 -14 1.61 2.21 -10 -7 5 6.68 3.37 -3 -7 5 10.99 2.58 -2 -7 5 3.41 2.06 14 -7 -2 1.14 1.87 19 -7 -7 62.22 2.11 20 -7 -8 3.82 1.97 22 -7 -11 31.91 2.30 1 -6 4 3.80 2.28 7 -6 2 95.02 2.37 9 -6 1 202.89 2.88 12 -6 -1 -1.35 1.93 16 -6 -4 1.91 1.92 17 -6 -5 3.62 1.82 18 -6 -6 157.32 2.58 21 -6 -10 15.37 2.05 23 -6 -13 37.63 2.37 24 -6 -15 5.05 2.45 -25 -5 -1 0.97 3.07 -1 -5 4 14.73 2.24 3 -5 3 142.39 2.91 6 -5 2 111.46 2.68 8 -5 1 0.89 1.97 10 -5 0 97.22 2.49 13 -5 -2 1.35 1.93 14 -5 -3 36.82 1.95 19 -5 -8 58.03 2.26 23 -5 -14 4.83 2.29 24 -5 -16 65.08 2.92 -29 -4 -5 4.85 2.87 -28 -4 -4 1.42 3.23 -24 -4 -1 0.78 2.97 -18 -4 2 42.45 3.64 -15 -4 3 279.78 6.58 1 -4 3 14.62 2.44 7 -4 1 2.86 1.56 12 -4 -2 13.94 2.01 20 -4 -10 46.67 2.32 -27 -3 -4 7.61 2.64 -21 -3 0 0.45 2.79 -16 -3 2 14.00 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29.00 2.07 6 -11 3 11.49 1.41 8 -11 2 14.52 2.00 10 -11 1 -0.80 1.36 13 -11 -1 8.71 1.94 14 -11 -2 42.41 2.07 19 -11 -7 0.71 2.00 21 -11 -9 1.08 1.51 -1 -10 5 16.18 2.00 3 -10 4 0.77 2.00 6 -10 3 80.43 2.19 8 -10 2 4.22 1.91 10 -10 1 1.44 1.91 13 -10 -1 27.56 1.98 14 -10 -2 4.36 1.91 20 -10 -8 6.95 2.07 21 -10 -9 6.62 2.17 22 -10 -11 3.58 2.19 -1 -9 5 7.28 1.99 3 -9 4 3.19 2.09 6 -9 3 9.08 1.38 8 -9 2 121.56 2.33 10 -9 1 12.30 1.33 13 -9 -1 2.92 1.95 14 -9 -2 2.56 2.00 19 -9 -7 15.16 2.11 20 -9 -8 0.45 2.09 21 -9 -9 4.10 1.47 22 -9 -11 38.79 2.45 -27 -8 -1 4.40 4.66 -24 -8 1 1.39 5.55 -2 -8 5 527.44 4.19 11 -8 0 0.62 1.87 14 -8 -2 4.52 1.94 15 -8 -3 92.11 2.30 16 -8 -4 3.56 1.96 18 -8 -6 2.59 1.90 19 -8 -7 13.33 2.06 20 -8 -8 3.36 2.10 22 -8 -11 2.92 2.06 23 -8 -13 2.25 2.24 -25 -7 0 0.59 3.68 -4 -7 5 1.71 2.00 2 -7 4 129.61 2.72 5 -7 3 1.90 1.45 7 -7 2 0.07 2.01 9 -7 1 197.74 2.74 11 -7 0 0.52 1.38 15 -7 -3 54.78 1.57 16 -7 -4 1.97 1.90 17 -7 -5 18.44 1.96 18 -7 -6 103.72 2.32 21 -7 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3.24 2.83 -17 -2 1 4.77 2.18 3 -2 1 5.56 2.12 12 -2 -4 97.36 2.53 18 -2 -10 7.25 2.03 20 -2 -13 0.61 2.42 21 -2 -15 32.07 2.73 22 -2 -17 8.59 2.74 -26 -1 -5 0.98 2.31 -25 -1 -4 18.11 2.65 -22 -1 -2 13.74 2.82 -20 -1 -1 10.53 2.73 -14 -1 1 0.42 2.16 12 -1 -5 185.69 3.17 16 -1 -9 9.51 2.39 17 -1 -10 21.79 2.15 19 -1 -13 118.47 3.28 22 -1 -19 3.41 2.87 -29 0 -9 -0.93 2.55 -28 0 -8 0.12 2.42 -26 0 -6 2.84 2.27 -23 0 -4 10.78 2.26 -22 0 -3 -0.27 2.69 -20 0 -2 80.16 3.03 -14 0 0 103.85 2.82 9 0 -4 159.26 3.73 18 0 -13 0.24 2.42 21 0 -19 0.18 3.30 22 0 -22 13.74 3.71 -24 1 -6 53.51 2.55 -23 1 -5 35.55 2.20 -21 1 -4 78.68 2.55 -19 1 -3 130.83 2.76 -17 1 -2 286.54 3.36 -14 1 -1 0.79 2.00 5 1 -3 81.25 6.26 10 1 -6 60.77 3.61 19 1 -17 2.08 3.00 -28 2 -11 8.20 2.48 -27 2 -10 4.02 2.35 -26 2 -9 17.72 2.35 -25 2 -8 33.31 2.39 -22 2 -6 45.27 2.51 -16 2 -3 20.08 2.02 -13 2 -2 217.68 3.04 -12 2 -2 0.63 2.08 2 2 -3 20.60 3.50 17 2 -16 45.30 4.45 -27 3 -12 2.26 2.35 -26 3 -11 3.45 2.34 -25 3 -10 9.05 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184.72 2.77 -9 6 -7 199.69 2.29 -8 6 -7 21.38 1.51 -7 6 -7 44.35 2.15 -6 6 -7 55.29 2.22 -5 6 -7 15.21 2.02 -1 6 -8 40.86 2.19 1 6 -9 25.22 1.96 3 6 -10 66.44 2.35 6 6 -12 45.45 2.56 10 6 -16 61.69 3.19 -24 7 -16 5.29 2.21 -21 7 -13 5.31 1.99 -19 7 -12 -0.17 2.01 -18 7 -11 4.10 2.00 -17 7 -11 6.14 1.92 -15 7 -10 27.86 2.03 -14 7 -10 24.76 1.54 -11 7 -9 60.85 2.11 -10 7 -9 3.88 1.81 -9 7 -9 86.49 2.21 -8 7 -9 14.43 2.02 -7 7 -9 17.63 1.94 -6 7 -9 19.04 1.97 -2 7 -10 259.70 2.99 4 7 -13 151.90 3.05 9 7 -18 31.82 2.80 -22 8 -17 -0.31 2.16 -21 8 -16 -0.83 2.11 -19 8 -15 8.31 2.06 -18 8 -14 3.24 2.00 -16 8 -13 74.18 2.27 -15 8 -13 130.58 2.08 -13 8 -12 3.04 1.95 -12 8 -12 8.45 1.94 -4 8 -12 4.34 1.84 -1 8 -13 5.53 1.82 1 8 -14 24.23 1.91 4 8 -16 17.10 2.32 5 8 -17 -0.67 2.31 6 8 -18 25.91 2.49 8 8 -21 1.88 2.58 9 8 -23 9.83 2.72 10 8 -25 24.66 3.12 -19 9 -18 -0.22 2.12 -19 9 -19 2.42 2.09 -18 9 -18 31.07 2.26 -16 9 -16 1.33 2.01 -15 9 -16 12.61 2.01 -13 9 -15 0.39 1.92 -12 9 -15 8.85 1.92 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-1 -16 1 11.13 2.24 0 -16 1 1.58 2.17 2 -16 0 103.39 2.52 3 -16 0 1.95 1.47 5 -16 -1 4.25 2.01 7 -16 -2 3.25 2.01 8 -16 -3 2.20 2.01 10 -16 -4 1.51 2.00 11 -16 -5 -2.07 2.05 12 -16 -6 19.69 2.23 -15 -15 2 0.70 3.11 -2 -15 2 3.76 2.13 1 -15 1 147.70 3.15 2 -15 1 20.48 2.17 4 -15 0 30.76 2.18 6 -15 -1 -0.64 1.94 8 -15 -2 13.57 2.05 11 -15 -4 36.64 2.21 12 -15 -5 4.56 2.00 13 -15 -6 0.31 2.00 14 -15 -7 40.45 2.23 -13 -14 3 3.38 3.06 -12 -14 3 0.54 2.76 -5 -14 3 102.41 3.04 -4 -14 3 4.32 2.11 0 -14 2 64.40 2.39 1 -14 2 27.90 1.69 3 -14 1 5.37 2.03 5 -14 0 3.14 2.43 9 -14 -2 68.01 2.24 12 -14 -4 2.37 1.43 13 -14 -5 30.70 2.12 14 -14 -6 6.32 2.08 15 -14 -7 5.24 2.03 16 -14 -8 2.10 2.05 17 -14 -9 5.48 1.48 -19 -13 2 2.12 3.79 -2 -13 3 155.82 2.65 -1 -13 3 62.24 2.37 2 -13 2 7.42 2.02 4 -13 1 9.69 2.30 8 -13 -1 77.99 2.22 10 -13 -2 6.91 1.98 11 -13 -3 45.36 2.10 17 -13 -9 13.47 2.58 -20 -12 2 16.58 4.48 -17 -12 3 4.41 3.51 -12 -12 4 4.28 2.82 -11 -12 4 -1.60 2.68 -10 -12 4 68.87 3.13 -9 -12 4 15.98 2.83 -8 -12 4 50.23 2.89 -7 -12 4 0.29 2.70 -6 -12 4 3.04 2.52 -5 -12 4 136.18 2.72 0 -12 3 11.50 2.03 3 -12 2 4.32 1.98 5 -12 1 41.53 2.13 7 -12 0 2.13 1.95 9 -12 -1 3.99 1.89 12 -12 -3 1.18 1.31 13 -12 -4 8.67 1.95 14 -12 -5 1.56 1.92 15 -12 -6 3.62 1.96 16 -12 -7 17.38 2.01 17 -12 -8 53.35 2.25 18 -12 -9 2.46 1.40 19 -12 -11 2.78 1.98 -18 -11 3 35.77 4.35 -14 -11 4 71.13 3.44 -4 -11 4 107.73 2.88 -3 -11 4 28.48 2.23 1 -11 3 17.49 2.06 4 -11 2 5.72 1.90 6 -11 1 3.86 1.93 8 -11 0 3.73 1.94 11 -11 -2 2.54 1.87 12 -11 -3 93.53 2.22 17 -11 -8 38.95 2.51 18 -11 -9 38.12 2.22 19 -11 -10 37.92 2.33 20 -11 -12 2.75 2.12 -3 -10 4 2.43 2.36 -2 -10 4 41.82 2.15 1 -10 3 16.24 2.43 4 -10 2 52.63 2.23 6 -10 1 44.12 2.05 8 -10 0 50.71 1.98 10 -10 -1 1.48 1.32 11 -10 -2 19.55 1.97 15 -10 -5 9.78 1.39 16 -10 -6 169.52 2.05 19 -10 -10 10.40 2.06 21 -10 -13 5.16 2.23 -15 -9 4 38.86 3.99 -2 -9 4 1.75 1.82 2 -9 3 112.90 2.59 10 -9 -1 10.65 1.88 14 -9 -4 196.61 2.17 15 -9 -5 43.44 2.06 16 -9 -6 26.82 2.01 17 -9 -7 79.70 1.81 19 -9 -10 6.14 2.07 20 -9 -11 14.36 2.16 21 -9 -13 11.06 2.19 22 -9 -15 5.53 2.32 -15 -8 4 0.75 4.08 -2 -8 4 51.31 2.14 2 -8 3 25.68 2.16 10 -8 -1 423.92 3.22 14 -8 -4 1.60 1.33 15 -8 -5 1.17 1.87 16 -8 -6 32.13 2.07 20 -8 -11 4.65 2.00 21 -8 -13 16.40 2.18 22 -8 -15 7.30 2.28 -26 -7 0 1.52 4.28 4 -7 2 32.14 2.21 8 -7 0 615.88 3.96 10 -7 -1 -0.82 1.35 11 -7 -2 456.89 3.42 19 -7 -10 16.50 2.13 21 -7 -13 3.55 2.13 22 -7 -15 2.51 2.17 -19 -6 3 1.71 5.29 -4 -6 4 153.11 3.47 1 -6 3 9.14 2.21 6 -6 1 284.48 3.14 8 -6 0 312.24 2.77 11 -6 -2 72.48 2.27 12 -6 -3 42.48 2.13 18 -6 -9 22.22 2.12 20 -6 -12 25.62 2.55 23 -6 -18 13.20 3.06 -25 -5 0 -0.57 3.19 -21 -5 2 218.04 6.10 -18 -5 3 18.65 4.40 -11 -5 4 424.45 9.84 -6 -5 4 45.52 3.13 0 -5 3 0.77 2.20 3 -5 2 28.58 2.33 9 -5 -1 8.16 2.07 13 -5 -4 17.26 2.08 14 -5 -5 166.87 2.75 15 -5 -6 14.51 1.89 16 -5 -7 20.43 2.06 17 -5 -8 297.67 3.14 19 -5 -11 8.70 2.53 21 -5 -14 139.97 3.13 22 -5 -16 52.90 2.63 -29 -4 -3 2.10 3.35 -26 -4 -1 10.54 3.29 -20 -4 2 37.27 3.86 2 -4 2 31.04 2.52 11 -4 -3 310.57 3.32 18 -4 -10 2.10 1.81 20 -4 -13 135.68 2.79 21 -4 -15 -0.72 2.75 22 -4 -17 1.16 2.67 23 -4 -20 28.14 3.12 -28 -3 -3 3.50 2.64 -25 -3 -1 11.28 2.61 -21 -3 1 14.19 2.89 -14 -3 3 268.04 5.79 9 -3 -2 11.26 2.17 14 -3 -6 0.24 1.86 15 -3 -7 69.02 2.24 18 -3 -11 5.81 2.43 20 -3 -14 1.48 2.46 21 -3 -16 33.54 2.97 22 -3 -18 0.78 2.23 23 -3 -21 2.41 3.03 -30 -2 -5 2.00 3.33 -27 -2 -3 0.92 2.46 -24 -2 -1 0.96 2.94 -22 -2 0 25.47 2.88 -16 -2 2 54.91 3.06 -2 -2 2 90.51 4.59 4 -2 0 151.84 3.57 8 -2 -2 9.80 2.18 12 -2 -5 69.66 2.31 13 -2 -6 1.63 2.43 14 -2 -7 77.92 2.83 15 -2 -8 50.36 2.57 16 -2 -9 91.95 2.43 20 -2 -15 20.99 2.20 22 -2 -20 1.49 2.88 -30 -1 -6 3.00 2.75 -29 -1 -5 2.33 3.20 -26 -1 -3 9.82 2.60 -20 -1 0 61.17 2.78 -17 -1 1 108.31 2.91 -12 -1 2 56.60 3.12 -6 -1 2 47.92 4.30 11 -1 -5 446.79 4.36 12 -1 -6 32.22 2.66 15 -1 -9 36.85 2.54 18 -1 -13 69.07 2.92 21 -1 -19 -0.38 2.84 22 -1 -22 21.68 3.34 -30 0 -7 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1.84 1 -8 -9 72.59 2.05 2 -8 -10 -0.57 1.74 4 -8 -13 16.84 1.71 5 -8 -15 254.02 2.72 6 -8 -17 7.04 1.89 7 -8 -19 3.44 1.76 7 -8 -20 16.55 1.88 8 -8 -23 22.64 2.11 -14 -7 1 38.38 2.97 -8 -7 -1 82.26 2.89 -6 -7 -2 86.67 2.59 -4 -7 -3 30.03 2.01 4 -7 -11 238.95 2.64 6 -7 -14 7.91 1.74 7 -7 -16 14.11 1.89 8 -7 -19 3.81 1.93 9 -7 -22 25.26 2.19 -10 -6 1 3.91 2.30 -1 -6 -4 2.70 2.07 0 -6 -5 7.45 1.91 3 -6 -8 268.41 2.76 4 -6 -9 271.85 2.84 6 -6 -12 45.75 1.99 7 -6 -14 87.71 2.15 8 -6 -16 96.11 2.19 9 -6 -19 31.27 2.09 10 -6 -22 32.41 2.19 10 -6 -23 1.73 1.92 -14 -5 3 39.16 3.73 -10 -5 2 10.32 2.81 5 -5 -9 24.53 1.96 7 -5 -12 0.08 1.82 8 -5 -14 49.00 2.09 9 -5 -16 103.00 2.25 10 -5 -19 15.25 1.95 11 -5 -22 0.12 1.95 11 -5 -23 11.29 2.15 6 -4 -9 64.04 2.21 9 -4 -14 61.57 2.04 11 -4 -20 3.28 1.92 12 -4 -24 12.18 2.17 12 -4 -25 2.83 2.06 -29 -3 4 0.47 4.35 -1 -3 -1 1.42 2.36 6 -3 -8 -0.58 1.93 8 -3 -11 93.62 2.29 9 -3 -13 330.68 3.40 10 -3 -15 6.88 1.81 12 -3 -21 6.98 1.94 13 -3 -26 -0.67 2.20 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1.49 0 -8 -13 161.55 2.29 1 -8 -15 11.67 1.76 2 -8 -17 54.76 1.99 3 -8 -19 83.57 1.73 3 -8 -20 4.99 1.81 4 -8 -24 -0.09 1.88 4 -8 -25 38.02 2.21 4 -8 -26 -1.97 1.81 4 -8 -27 25.39 2.31 4 -8 -28 3.60 2.05 -15 -7 0 0.52 2.35 -6 -7 -4 7.82 1.76 0 -7 -10 3.99 1.75 2 -7 -13 14.92 1.78 3 -7 -15 -1.50 1.75 4 -7 -18 140.19 2.36 5 -7 -21 8.82 1.80 5 -7 -22 33.01 2.01 -18 -6 2 5.18 2.65 -13 -6 1 212.52 3.75 -5 -6 -3 59.96 2.26 1 -6 -9 28.69 1.88 3 -6 -12 19.03 1.85 4 -6 -14 7.98 1.76 5 -6 -16 3.60 1.73 6 -6 -19 107.21 2.30 6 -6 -20 4.50 1.84 7 -6 -25 1.68 1.91 7 -6 -26 0.04 1.95 7 -6 -27 5.45 2.02 7 -6 -28 0.87 2.14 7 -6 -29 7.12 2.14 -3 -5 -3 134.66 2.81 1 -5 -7 120.58 2.41 5 -5 -13 -1.79 1.85 6 -5 -16 77.28 2.13 7 -5 -19 28.26 1.95 8 -5 -23 7.96 1.93 8 -5 -24 18.41 2.17 8 -5 -25 13.48 2.04 8 -5 -26 2.23 2.00 8 -5 -27 15.92 2.25 8 -5 -28 10.57 2.15 -9 -4 2 66.53 3.52 -7 -4 1 1.08 2.11 5 -4 -11 3.46 1.82 6 -4 -13 243.39 2.83 7 -4 -15 12.36 1.88 8 -4 -18 13.58 1.85 9 -4 -23 63.93 2.39 9 -4 -24 12.60 2.16 9 -4 -25 7.22 2.00 9 -4 -26 21.35 2.19 9 -4 -27 0.37 2.11 9 -4 -28 2.86 2.13 9 -4 -29 7.99 2.23 9 -4 -30 1.32 2.21 -28 -3 5 21.89 5.20 -1 -3 -2 5.73 2.26 1 -3 -4 1.83 2.29 2 -3 -5 539.76 4.59 5 -3 -9 4.23 1.98 6 -3 -11 198.64 2.75 7 -3 -13 19.11 1.80 8 -3 -15 191.13 2.61 9 -3 -18 44.97 2.17 9 -3 -19 89.11 2.69 10 -3 -23 3.87 1.93 10 -3 -24 18.14 2.08 10 -3 -25 2.89 2.09 10 -3 -26 1.78 2.12 10 -3 -28 1.79 2.14 10 -3 -29 4.06 2.17 10 -3 -30 1.71 2.23 -15 -2 6 4.17 2.98 3 -2 -5 250.19 3.59 7 -2 -11 80.57 2.21 8 -2 -13 72.45 2.10 10 -2 -19 1.80 1.82 11 -2 -26 8.56 2.16 11 -2 -27 3.24 2.13 11 -2 -28 8.59 2.34 -30 -1 6 4.77 3.68 -26 -1 7 4.82 3.67 -12 -1 6 32.13 3.36 4 -1 -5 179.27 3.57 11 -1 -20 2.95 1.86 11 -1 -21 79.99 2.87 -29 0 7 0.67 3.63 -23 0 8 2.75 3.04 -22 0 8 53.76 3.33 -21 0 8 54.19 3.25 -20 0 8 34.25 3.03 8 0 -10 220.55 3.44 9 0 -12 223.72 3.30 11 0 -18 53.47 2.73 12 0 -23 0.27 2.00 12 0 -24 8.84 2.60 12 0 -25 0.95 2.70 -27 1 8 62.53 3.89 -26 1 8 5.55 2.91 -16 1 8 37.45 2.14 8 1 -9 410.47 5.21 9 1 -11 33.18 2.56 11 1 -16 1.34 2.35 12 1 -20 2.74 2.36 -29 2 8 33.84 3.38 -14 2 8 12.75 2.05 -4 2 4 370.59 4.22 -1 2 2 121.86 3.58 11 2 -15 57.59 2.82 12 2 -18 0.66 2.46 13 2 -24 -0.15 2.05 13 2 -25 29.01 3.11 13 2 -26 49.36 3.43 13 2 -27 15.39 2.96 13 2 -28 4.49 2.97 13 2 -29 11.24 3.18 -25 3 9 30.23 3.13 -24 3 9 118.01 3.03 -23 3 9 -0.04 2.24 -19 3 9 133.36 2.75 -18 3 9 97.63 2.47 -17 3 9 15.30 2.38 -7 3 6 5.43 2.09 -5 3 5 535.68 4.58 11 3 -14 88.32 3.69 12 3 -17 25.24 2.72 13 3 -22 0.34 2.49 -27 4 9 -0.50 3.06 -26 4 9 64.60 2.80 -16 4 9 158.15 2.63 -12 4 8 17.52 1.93 -9 4 7 18.62 2.02 -3 4 4 91.74 2.64 10 4 -11 7.94 3.70 -27 5 9 1.25 2.45 -26 5 9 5.11 2.35 -16 5 9 0.44 1.95 -15 5 9 0.05 1.92 -11 5 8 772.28 4.62 -6 5 6 557.59 4.18 0 5 2 0.38 2.05 13 5 -20 10.47 3.43 -27 6 9 1.68 2.50 -15 6 9 45.95 2.06 -11 6 8 1.94 1.95 -8 6 7 21.43 2.04 -6 6 6 102.46 2.33 -1 6 3 7.32 2.10 -27 7 9 14.96 2.64 -26 7 9 -0.88 2.46 -16 7 9 5.87 1.93 -15 7 9 0.29 1.90 -11 7 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176.22 2.60 -6 6 9 148.43 2.42 -3 6 7 320.77 3.01 1 6 4 2.70 2.04 2 6 3 200.50 3.05 12 6 -18 33.50 3.86 12 6 -27 4.22 3.52 -18 7 13 3.17 1.98 -17 7 13 15.52 2.07 -13 7 12 1.27 1.94 -10 7 11 105.71 2.19 -4 7 8 -1.05 1.82 -1 7 6 102.94 2.36 0 7 5 0.26 1.81 4 7 1 6.81 1.70 7 7 -3 167.17 3.27 -17 8 13 2.27 2.10 -16 8 13 75.43 2.27 -12 8 12 8.72 1.90 -9 8 11 70.79 2.04 -7 8 10 1.44 1.73 -5 8 9 253.96 2.65 -2 8 7 24.22 1.92 -1 8 6 3.14 1.81 5 8 0 2.25 1.75 11 8 -11 90.26 4.88 -17 9 13 15.70 2.05 -16 9 13 8.14 2.05 -12 9 12 110.76 2.34 -9 9 11 14.24 1.96 -7 9 10 0.93 1.80 -5 9 9 -0.11 1.74 -2 9 7 5.00 1.80 6 9 -1 36.80 2.39 9 9 -6 9.64 2.31 -17 10 13 10.53 2.09 -16 10 13 8.75 1.98 -9 10 11 41.71 1.94 -7 10 10 23.87 1.92 -5 10 9 21.35 1.87 -2 10 7 7.25 1.72 -1 10 6 14.12 1.75 5 10 0 0.41 1.76 9 10 -6 76.31 2.84 11 10 -11 1.40 2.85 -18 11 13 11.97 2.20 -17 11 13 12.89 2.11 -13 11 12 1.74 1.92 -10 11 11 19.80 1.92 -7 11 10 86.99 2.12 -4 11 8 5.56 1.83 -1 11 6 8.32 1.77 4 11 1 18.63 1.91 5 11 0 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18.11 2.01 9 2 -22 32.39 2.25 -16 3 13 3.62 1.89 -12 3 12 22.49 2.13 -10 3 11 0.90 1.70 -6 3 9 17.34 1.96 -2 3 6 499.25 4.19 2 3 2 1.70 2.06 8 3 -9 71.66 4.02 9 3 -13 310.65 4.80 9 3 -27 16.68 2.95 -18 4 14 1.44 2.05 -17 4 14 6.21 2.37 -13 4 13 1.65 1.76 -8 4 11 106.50 2.25 -2 4 7 33.39 2.08 9 4 -10 135.41 5.18 9 4 -30 1.75 2.92 10 4 -25 19.29 3.03 10 4 -26 1.37 2.21 -25 5 15 0.26 2.94 -24 5 15 1.81 2.80 -23 5 15 1.31 2.66 -22 5 15 7.39 2.64 -21 5 15 8.28 2.58 -20 5 15 0.93 2.47 -15 5 14 5.28 1.84 -14 5 14 32.03 2.34 -11 5 13 6.63 1.78 -9 5 12 68.81 2.22 -7 5 11 45.93 2.02 -5 5 10 152.78 2.47 -1 5 7 114.60 2.43 0 5 6 -2.35 1.91 1 5 5 35.47 2.11 2 5 4 199.98 3.03 10 5 -28 1.65 2.91 11 5 -19 23.32 2.80 11 5 -20 176.44 4.42 11 5 -21 16.72 2.77 11 5 -22 1.49 2.56 -17 6 15 36.47 2.10 -16 6 15 48.10 2.65 -13 6 14 52.01 2.05 -10 6 13 131.14 2.33 -8 6 12 102.88 2.26 -6 6 11 50.91 1.97 -3 6 9 31.70 1.48 5 6 1 4.89 1.85 7 6 -2 90.66 2.98 8 6 -4 77.59 2.97 11 6 -26 7.36 3.06 -23 7 16 0.24 2.69 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14 3.48 2.76 -20 2 14 18.17 2.06 -19 2 14 82.56 2.57 -18 2 14 6.68 2.34 -14 2 13 11.27 1.80 -11 2 12 20.16 2.35 -9 2 11 54.35 2.06 -3 2 7 534.33 4.58 -2 2 6 562.05 4.65 -1 2 5 22.67 2.40 5 2 -30 5.30 2.27 6 2 -28 9.07 2.21 7 2 -24 0.72 1.98 -26 3 15 1.99 2.78 -25 3 15 9.64 2.34 -20 3 15 34.41 2.36 -19 3 15 73.71 2.45 -18 3 15 64.21 2.76 -14 3 14 1.34 1.74 -11 3 13 225.92 2.80 -9 3 12 24.30 1.86 -7 3 11 6.22 1.77 -4 3 9 502.59 4.13 2 3 3 2.54 2.08 7 3 -28 0.75 2.20 8 3 -24 49.07 2.48 -25 4 16 2.82 3.01 -24 4 16 6.25 2.28 -23 4 16 9.44 2.27 -22 4 16 5.68 2.23 -21 4 16 0.12 2.15 -20 4 16 0.14 2.09 -19 4 16 8.57 2.54 -14 4 15 8.42 1.78 -11 4 14 74.66 2.17 -9 4 13 91.10 2.07 -7 4 12 56.06 2.08 -4 4 10 1.89 1.86 7 4 -30 3.88 3.03 8 4 -27 13.93 2.91 9 4 -23 52.67 3.06 -23 5 17 7.03 2.81 -22 5 17 3.32 2.67 -21 5 17 22.92 2.76 -15 5 16 44.86 2.12 -12 5 15 13.82 1.98 -9 5 14 38.37 2.00 -7 5 13 1.03 1.81 -4 5 11 1.36 1.78 4 5 3 72.92 2.45 6 5 0 121.90 3.05 7 5 -2 621.13 6.23 10 5 -13 15.35 3.20 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6 1 -13 140.39 2.79 6 1 -14 1.84 2.17 6 1 -18 236.73 3.32 6 1 -19 42.06 2.04 6 1 -20 14.19 1.88 -16 2 14 64.01 2.15 -10 2 12 239.11 3.01 -8 2 11 347.92 3.33 -5 2 9 374.45 3.83 1 2 3 11.98 2.46 3 2 -32 9.88 2.35 4 2 -30 6.91 2.70 6 2 -7 78.15 3.69 6 2 -25 0.31 1.94 7 2 -12 41.24 2.60 7 2 -20 6.69 2.36 7 2 -21 1.35 1.89 -16 3 15 6.24 1.88 -15 3 15 11.58 2.26 -12 3 14 1.45 1.70 -6 3 11 202.64 2.73 3 3 2 323.18 4.03 5 3 -31 2.35 2.39 6 3 -28 0.69 2.68 7 3 -26 1.73 2.16 8 3 -21 14.51 2.14 -16 4 16 36.03 2.09 -15 4 16 3.01 2.31 -12 4 15 37.23 1.99 -6 4 12 16.81 1.81 -3 4 10 7.92 1.95 -2 4 9 426.97 3.56 1 4 6 8.47 1.42 2 4 5 218.14 3.08 7 4 -28 4.62 2.78 8 4 -25 2.39 2.61 9 4 -12 0.22 2.38 9 4 -20 33.11 2.70 9 4 -21 26.98 2.31 -17 5 17 2.30 1.97 -16 5 17 1.71 1.88 -13 5 16 7.55 1.81 -10 5 15 -0.67 1.77 -8 5 14 47.69 1.98 -6 5 13 9.34 1.83 -3 5 11 64.68 2.09 -2 5 10 53.85 1.54 3 5 5 89.63 2.48 5 5 2 469.13 4.43 8 5 -4 105.28 3.90 8 5 -28 7.30 2.40 9 5 -25 -0.04 2.18 10 5 -15 1.06 2.66 10 5 -16 20.75 2.93 10 5 -17 0.44 2.70 10 5 -18 0.45 2.32 -20 6 18 0.75 2.13 -19 6 18 2.01 2.14 -18 6 18 3.29 1.97 -14 6 17 1.34 1.99 -13 6 17 132.51 2.66 -8 6 15 13.27 1.81 3 6 6 0.76 1.86 7 6 0 1.92 2.22 9 6 -27 1.95 2.89 10 6 -23 0.17 2.64 -15 7 18 22.77 2.00 -12 7 17 89.46 2.28 -11 7 17 5.40 1.97 -9 7 16 20.39 1.92 -7 7 15 13.82 1.77 -5 7 14 45.17 1.92 -1 7 11 27.66 1.88 0 7 10 0.33 1.77 1 7 9 118.37 2.24 2 7 8 17.38 1.83 3 7 7 39.61 1.97 6 7 3 18.90 1.79 9 7 -3 245.48 4.01 10 7 -6 28.77 2.85 10 7 -26 0.99 2.90 11 7 -20 17.10 3.36 11 7 -21 3.00 2.73 -19 8 19 -0.24 2.14 -18 8 19 2.67 2.02 -17 8 19 31.38 2.31 -13 8 18 0.29 1.89 -10 8 17 65.58 2.25 -8 8 16 2.02 1.79 -6 8 15 2.64 1.89 -4 8 14 2.55 1.66 -3 8 13 3.11 1.68 1 8 10 38.31 1.92 7 8 2 87.99 2.21 -16 9 19 0.13 1.98 -15 9 19 6.48 2.09 -12 9 18 2.91 1.86 -9 9 17 -1.50 1.83 -7 9 16 28.13 1.93 -5 9 15 8.39 1.80 -2 9 13 88.60 2.10 -1 9 12 19.24 1.84 4 9 7 50.80 2.03 5 9 6 40.39 2.09 7 9 3 86.69 2.20 8 9 1 4.41 1.83 9 9 -1 3.38 1.80 11 9 -25 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3 14 95.18 2.52 -9 3 13 319.40 3.02 -3 3 9 317.42 3.50 -2 3 8 62.39 1.79 -1 3 7 7.65 1.46 0 3 6 1.38 2.04 1 3 5 1139.74 5.99 5 3 -30 13.05 2.34 7 3 -7 315.08 7.93 7 3 -24 8.57 2.52 7 3 -25 36.83 2.57 8 3 -12 313.55 4.55 8 3 -18 7.25 2.48 8 3 -19 62.74 2.95 8 3 -20 9.28 2.09 -25 4 17 1.56 2.87 -24 4 17 3.31 2.78 -23 4 17 26.60 3.01 -22 4 17 0.72 2.14 -21 4 17 1.51 2.17 -20 4 17 11.88 2.69 -19 4 17 40.32 2.75 -14 4 16 7.51 1.80 -11 4 15 9.74 1.79 -9 4 14 63.46 2.02 -7 4 13 28.54 1.93 -4 4 11 30.21 1.96 6 4 -30 4.29 2.30 8 4 -24 24.62 2.78 9 4 -13 87.70 3.43 9 4 -14 60.14 3.16 9 4 -17 4.66 2.72 9 4 -18 64.67 2.96 9 4 -19 4.18 2.47 -23 5 18 1.41 2.89 -22 5 18 0.19 2.69 -21 5 18 25.63 2.78 -15 5 17 8.99 1.84 -12 5 16 -0.28 1.85 -9 5 15 49.25 2.02 -7 5 14 360.63 3.24 -4 5 12 564.66 3.68 4 5 4 482.51 4.23 7 5 -30 13.01 2.65 8 5 -27 16.10 2.94 9 5 -24 56.08 2.88 -17 6 18 8.05 1.98 -16 6 18 0.50 1.91 -12 6 17 7.91 1.89 -10 6 16 54.57 1.56 -6 6 14 0.94 1.31 -4 6 13 51.51 1.94 -3 6 12 16.43 1.34 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2.04 -7 10 17 32.85 1.93 -4 10 15 28.45 1.88 -1 10 13 16.45 1.82 0 10 12 500.87 3.44 1 10 11 12.42 1.31 3 10 9 0.85 1.17 4 10 8 3.87 1.78 7 10 4 136.80 2.39 8 10 2 3.61 1.74 10 10 -2 45.92 2.58 11 10 -5 28.37 2.75 12 10 -9 23.37 3.13 12 10 -21 4.18 3.96 -15 11 20 18.51 2.29 -12 11 19 11.45 2.09 -11 11 19 9.04 2.14 -9 11 18 13.23 1.93 -7 11 17 14.73 1.89 -5 11 16 3.68 1.80 -2 11 14 1.40 1.77 -1 11 13 39.93 1.46 5 11 7 70.04 2.07 6 11 6 202.37 2.58 9 11 1 3.94 2.15 11 11 -4 69.35 2.78 12 11 -22 8.09 5.06 -12 12 19 1.80 1.51 -11 12 19 9.97 2.00 -9 12 18 3.73 1.37 -7 12 17 1.19 1.30 -5 12 16 -0.48 1.32 -3 12 15 25.98 1.91 -2 12 14 14.35 1.35 2 12 11 63.87 2.00 3 12 10 3.41 1.80 6 12 6 131.14 2.46 8 12 3 0.18 1.73 9 12 1 5.44 1.91 10 12 -1 16.51 2.01 12 12 -7 4.43 2.55 13 12 -14 80.15 6.55 -9 13 18 1.98 1.39 -8 13 18 2.36 1.97 -7 13 17 4.95 1.37 -6 13 17 33.18 2.12 -5 13 16 1.11 1.36 -3 13 15 6.96 1.87 -2 13 14 -0.01 1.24 1 13 12 16.77 1.90 2 13 11 5.51 1.72 6 13 6 2.90 1.77 8 13 3 88.79 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11.89 2.25 -9 2 12 1.62 1.72 2 2 -32 -1.02 2.27 3 2 -30 5.83 2.68 5 2 -26 -1.19 2.01 6 2 -23 26.27 2.26 7 2 -14 643.51 5.17 7 2 -15 8.05 1.93 7 2 -16 33.27 2.06 -26 3 16 2.30 2.80 -18 3 16 4.43 1.90 -17 3 16 13.22 2.30 -13 3 15 26.85 2.22 -7 3 12 1.61 1.65 -4 3 10 237.35 3.16 4 3 -31 4.51 2.38 5 3 -29 6.91 2.22 6 3 -27 17.22 2.39 7 3 -23 36.69 2.66 8 3 -13 86.03 2.92 8 3 -14 45.14 2.49 8 3 -15 190.80 3.56 8 3 -16 1.56 2.23 8 3 -17 38.27 2.62 -18 4 17 59.61 2.42 -17 4 17 6.07 2.38 -13 4 16 6.52 1.89 -8 4 14 1.12 2.07 -5 4 12 171.12 2.56 3 4 4 73.73 1.99 5 4 1 358.10 4.05 5 4 -31 7.34 2.43 6 4 -1 260.39 4.18 6 4 -29 11.95 2.40 7 4 -27 1.58 2.23 8 4 -23 92.71 3.28 9 4 -15 13.94 2.49 9 4 -16 2.69 2.33 -24 5 18 0.65 2.30 -20 5 18 31.98 2.37 -19 5 18 32.28 2.33 -18 5 18 37.69 2.24 -14 5 17 -1.14 1.72 -13 5 17 -0.14 2.22 -11 5 16 200.97 2.66 -5 5 13 1.03 1.78 -1 5 10 596.93 3.82 0 5 9 0.67 1.68 1 5 8 1.80 1.74 6 5 1 48.76 2.55 7 5 -29 2.32 2.41 8 5 -26 -1.06 2.80 9 5 -23 15.93 2.28 -22 6 19 11.89 2.36 -21 6 19 4.35 2.65 -20 6 19 15.21 2.79 -19 6 19 15.32 2.62 -15 6 18 22.07 2.09 -14 6 18 0.74 1.80 -11 6 17 3.41 1.83 -9 6 16 3.55 1.77 -7 6 15 21.29 1.80 -5 6 14 252.01 2.70 -1 6 11 197.67 2.56 0 6 10 42.49 1.95 1 6 9 29.20 1.88 2 6 8 3.21 1.78 5 6 4 57.03 2.26 8 6 -28 8.82 3.20 10 6 -21 51.55 3.30 -17 7 19 1.42 1.99 -16 7 19 4.57 1.95 -12 7 18 0.51 1.94 -9 7 17 13.78 1.85 -7 7 16 14.08 1.85 -4 7 14 35.27 1.81 0 7 11 -1.95 1.72 1 7 10 0.23 1.78 2 7 9 42.44 1.95 5 7 5 8.27 1.75 7 7 2 1.30 1.70 8 7 0 633.06 4.97 10 7 -24 0.32 2.91 11 7 -18 29.73 3.41 -19 8 20 5.99 2.20 -18 8 20 -0.79 2.09 -14 8 19 9.23 1.97 -13 8 19 24.06 2.01 -11 8 18 7.12 1.82 -10 8 18 2.05 1.76 -8 8 17 68.27 2.12 -6 8 16 9.11 1.81 -3 8 14 38.29 1.86 5 8 6 2.15 1.74 7 8 3 5.44 1.68 8 8 1 211.37 2.96 9 8 -1 351.65 3.91 10 8 -26 -0.53 2.91 11 8 -7 51.63 3.88 11 8 -22 1.02 3.26 -17 9 20 -0.60 2.11 -16 9 20 5.37 2.14 -15 9 20 7.03 2.08 -12 9 19 26.32 2.13 -9 9 18 36.47 1.99 -7 9 17 37.34 1.99 -5 9 16 32.83 1.83 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1 -32 6.72 2.24 0 1 -31 -1.02 2.15 1 1 -29 23.22 2.71 2 1 -28 4.13 2.05 3 1 -25 3.31 2.53 3 1 -26 6.56 2.10 4 1 -23 10.92 1.89 5 1 -10 5.64 1.85 5 1 -18 12.96 1.87 5 1 -19 3.34 1.71 -16 2 15 24.80 2.01 -10 2 13 371.24 3.44 -8 2 12 29.95 1.84 -5 2 10 8.82 1.85 -4 2 9 0.36 1.83 0 2 5 9.83 2.47 1 2 -32 3.62 2.36 2 2 -30 2.20 2.21 3 2 -29 2.01 2.12 4 2 -27 1.35 2.08 5 2 -24 62.20 2.36 6 2 -8 103.07 3.48 6 2 -20 1.14 1.87 -23 3 17 12.77 2.69 -22 3 17 31.47 2.84 -21 3 17 32.33 2.81 -15 3 16 -0.24 1.81 -12 3 15 182.08 2.57 -6 3 12 49.25 1.93 -2 3 9 580.94 4.25 -1 3 8 123.58 2.55 3 3 -31 1.61 2.31 4 3 -29 9.03 2.27 5 3 -27 6.74 2.16 6 3 -25 31.92 2.27 7 3 -21 55.02 2.35 -24 4 18 0.16 2.74 -23 4 18 3.74 2.69 -22 4 18 28.41 2.81 -21 4 18 6.17 2.63 -20 4 18 70.69 3.00 -15 4 17 29.42 2.13 -14 4 17 20.84 2.30 -11 4 16 11.98 1.86 -9 4 15 14.45 1.71 -7 4 14 129.11 2.30 -4 4 12 114.89 2.30 -3 4 11 133.06 1.98 2 4 6 366.20 3.56 4 4 -31 3.95 2.93 6 4 -27 25.60 3.05 7 4 -3 12.46 3.15 7 4 -25 0.19 2.23 8 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356.35 3.32 -3 3 10 45.67 2.23 0 3 7 1.11 1.99 1 3 6 119.33 2.74 3 3 3 22.39 2.15 3 3 -30 6.19 2.27 4 3 -28 1.50 2.59 5 3 -26 7.25 2.55 6 3 -24 20.12 2.17 7 3 -20 67.46 2.57 -19 4 18 6.84 2.05 -18 4 18 44.99 2.35 -13 4 17 141.02 2.85 -5 4 13 103.99 2.29 3 4 5 3.41 1.93 5 4 -29 1.38 2.22 7 4 -24 2.38 2.09 8 4 -20 0.96 2.45 -20 5 19 0.18 2.09 -19 5 19 2.03 2.04 -18 5 19 1.94 2.02 -14 5 18 211.58 2.85 -13 5 18 1.08 1.81 -8 5 16 5.08 1.72 -5 5 14 283.32 2.83 -2 5 12 730.14 3.96 -1 5 11 385.03 3.28 0 5 10 1.35 1.74 1 5 9 34.85 1.87 4 5 5 217.89 3.11 6 5 -29 1.80 2.30 8 5 -3 1.11 2.66 8 5 -24 14.66 2.26 9 5 -20 320.69 4.78 -21 6 20 12.85 2.26 -20 6 20 3.31 2.14 -19 6 20 4.02 2.59 -14 6 19 10.94 1.91 -11 6 18 31.67 2.01 -5 6 15 129.18 2.26 -2 6 13 3.05 1.75 -1 6 12 1.68 1.81 0 6 11 30.99 1.89 1 6 10 36.14 1.93 2 6 9 1.10 1.78 3 6 8 257.84 2.84 5 6 5 2.91 1.83 8 6 -26 0.55 2.80 9 6 -23 20.39 2.87 10 6 -18 45.44 3.31 -16 7 20 2.02 2.01 -15 7 20 21.89 2.12 -12 7 19 4.18 1.84 -9 7 18 34.27 2.13 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7.20 1.90 -26 2 16 5.83 2.85 -25 2 16 10.32 2.97 -24 2 16 0.30 2.63 -19 2 16 7.79 2.42 -18 2 16 38.75 2.56 -14 2 15 8.00 1.89 -11 2 14 60.42 2.11 -9 2 13 83.48 2.17 1 2 4 45.73 2.83 1 2 -30 2.77 2.09 2 2 -29 31.21 2.41 3 2 -27 0.96 2.01 4 2 -25 0.73 1.88 5 2 -22 1.25 1.86 6 2 -9 5.54 2.41 6 2 -17 59.99 2.23 -17 3 17 33.12 2.07 -16 3 17 14.41 2.34 -13 3 16 3.39 1.73 -10 3 15 8.88 2.07 -8 3 14 44.21 1.89 -5 3 12 15.65 1.79 2 3 -31 14.09 2.43 3 3 -29 3.12 2.63 5 3 -25 5.76 2.51 6 3 -23 41.75 2.26 7 3 -18 0.14 2.23 7 3 -19 113.25 2.75 -17 4 18 1.80 1.93 -16 4 18 1.37 1.85 -12 4 17 26.46 2.32 -10 4 16 152.44 2.53 -8 4 15 2.39 1.73 -6 4 14 -0.68 1.82 -2 4 11 409.44 3.40 -1 4 10 5.16 1.74 0 4 9 1154.99 5.30 1 4 8 188.68 2.83 3 4 -31 3.13 2.82 4 4 -30 0.76 2.24 5 4 2 252.07 3.44 5 4 -28 -0.20 2.17 6 4 -26 5.48 2.23 7 4 -23 74.61 2.63 8 4 -19 78.01 3.06 -17 5 19 3.79 1.90 -16 5 19 2.98 1.97 -12 5 18 187.45 2.77 -10 5 17 0.18 1.75 -6 5 15 69.24 2.06 -3 5 13 0.73 1.74 2 5 8 99.84 1.84 3 5 7 38.58 2.02 5 5 4 199.70 3.06 5 5 -30 9.60 2.48 6 5 2 103.17 2.57 6 5 -28 3.22 2.30 7 5 0 0.21 2.14 7 5 -26 46.49 2.60 8 5 -23 8.71 2.20 9 5 -18 8.76 2.96 9 5 -19 81.89 3.21 -18 6 20 2.70 2.07 -17 6 20 3.93 2.01 -16 6 20 1.92 2.46 -13 6 19 50.24 2.13 -12 6 19 16.02 2.39 -10 6 18 48.69 2.08 -8 6 17 1.31 1.74 -6 6 16 90.33 2.02 -4 6 15 67.52 2.01 -3 6 14 203.37 2.46 4 6 7 123.20 2.41 7 6 2 95.49 2.69 7 6 -28 2.61 2.34 9 6 -22 2.41 2.59 10 6 -17 20.26 2.98 -20 7 21 0.57 2.16 -19 7 21 5.81 2.24 -18 7 21 2.61 2.59 -14 7 20 10.45 2.07 -13 7 20 -0.21 1.94 -11 7 19 12.67 1.50 -10 7 19 2.17 1.80 -8 7 18 136.84 2.42 -6 7 17 167.45 2.46 -3 7 15 2.45 1.67 -2 7 14 51.34 1.43 4 7 8 1.70 1.78 6 7 5 6.04 1.69 8 7 -27 -0.57 2.97 9 7 -1 193.57 3.49 9 7 -25 9.02 2.46 10 7 -21 11.34 3.19 -16 8 21 17.14 2.25 -15 8 21 0.48 1.99 -14 8 21 9.83 2.48 -12 8 20 -0.15 1.40 -11 8 20 6.29 1.98 -9 8 19 71.91 2.17 -7 8 18 2.18 1.70 -5 8 17 1.59 1.73 -2 8 15 12.87 1.78 -1 8 14 23.94 1.27 4 8 9 237.71 2.69 8 8 3 17.98 2.21 10 8 -2 9.69 2.33 11 8 -19 36.59 3.95 -13 9 21 1.92 1.98 -10 9 20 11.98 2.00 -8 9 19 21.67 1.38 -6 9 18 11.55 1.33 -4 9 17 131.01 2.27 -1 9 15 61.44 1.99 0 9 14 1.61 1.73 1 9 13 413.25 3.08 2 9 12 54.16 1.89 3 9 11 7.50 1.71 4 9 10 170.66 2.38 6 9 7 100.38 1.78 8 9 4 15.14 1.81 9 9 2 55.69 2.05 10 9 -25 2.48 3.67 -12 10 21 5.06 2.03 -11 10 21 11.83 2.02 -9 10 20 10.00 1.92 -7 10 19 42.21 2.03 -5 10 18 4.53 1.84 -3 10 17 14.61 1.84 -2 10 16 71.13 2.01 6 10 8 44.44 1.95 8 10 5 63.39 2.14 9 10 3 6.26 1.72 11 10 -2 18.17 2.51 11 10 -23 4.97 4.08 12 10 -6 78.49 3.40 -11 11 21 2.87 2.01 -10 11 21 -0.06 1.90 -8 11 20 0.00 1.93 -6 11 19 8.97 1.86 -4 11 18 1.11 1.78 -3 11 17 16.16 1.35 -1 11 16 18.12 1.88 0 11 15 2.64 1.76 1 11 14 202.40 2.51 2 11 13 100.45 2.18 3 11 12 5.39 1.77 5 11 10 24.03 1.93 7 11 7 21.21 1.87 11 11 -1 76.70 2.74 13 11 -12 1.37 4.32 -10 12 21 4.80 1.97 -8 12 20 2.48 1.36 -7 12 20 3.62 1.97 -5 12 19 1.41 1.91 -4 12 18 22.79 1.97 -2 12 17 10.43 1.84 -1 12 16 7.20 1.79 0 12 15 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1.85 -9 -4 -21 28.11 1.82 -8 -4 -6 109.43 2.06 -8 -4 -7 151.31 2.52 -8 -4 -18 12.54 1.74 -8 -4 -19 72.38 2.12 -7 -4 -9 181.37 2.16 -7 -4 -10 297.05 2.89 -7 -4 -11 189.50 2.49 -7 -4 -12 48.64 1.92 -7 -4 -13 29.13 1.78 -7 -4 -14 131.00 2.20 -7 -4 -15 11.43 1.66 -29 -3 4 0.51 3.96 -27 -3 5 40.92 4.55 -12 -3 -28 4.07 1.91 -12 -3 -29 5.64 1.45 -11 -3 -28 0.72 1.84 -10 -3 -27 0.85 1.86 -9 -3 -26 19.63 1.96 -8 -3 -25 57.30 2.10 -7 -3 -24 6.78 1.90 -6 -3 -3 174.57 3.03 -6 -3 -22 36.84 1.92 -5 -3 -5 479.84 4.18 -5 -3 -20 131.62 2.27 -4 -3 -8 23.57 2.00 -4 -3 -9 475.39 3.60 -4 -3 -16 116.62 2.17 -4 -3 -17 95.06 2.04 -4 -3 -18 28.06 1.34 -10 -2 -30 0.66 1.99 -9 -2 -30 2.12 2.02 -6 -2 -27 6.00 1.85 -5 -2 -25 40.71 2.08 -5 -2 -26 2.03 1.27 -4 -2 -24 50.63 2.09 -3 -2 -3 359.32 4.05 -3 -2 -22 28.23 1.89 -2 -2 -6 496.78 4.44 -2 -2 -19 39.19 1.89 -2 -2 -20 -0.15 1.22 -1 -2 -10 76.23 2.32 -1 -2 -11 12.58 1.95 -1 -2 -12 57.40 2.04 -1 -2 -13 28.58 1.92 -1 -2 -14 7.36 1.86 -1 -2 -15 15.25 1.79 -1 -2 -16 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3.39 -2 2 8 3.33 1.93 1 2 -29 3.15 2.63 2 2 -28 2.38 2.07 3 2 -26 27.36 2.21 4 2 -24 52.65 2.11 5 2 -21 28.19 1.93 6 2 -10 368.63 4.76 6 2 -11 111.03 3.03 6 2 -14 21.18 2.51 6 2 -15 9.95 2.38 6 2 -16 44.25 2.14 -15 3 17 28.79 2.00 -12 3 16 99.35 2.17 -6 3 13 35.02 1.77 2 3 5 550.74 4.34 2 3 -30 7.38 2.33 4 3 -27 1.77 1.92 6 3 -3 204.70 6.19 6 3 -22 38.32 2.19 7 3 -8 2.38 3.01 7 3 -17 12.78 2.33 -23 4 19 2.41 2.66 -22 4 19 6.21 2.69 -21 4 19 6.50 2.66 -20 4 19 3.82 2.56 -15 4 18 11.29 1.84 -14 4 18 3.59 1.84 -11 4 17 18.16 1.84 -9 4 16 2.24 1.69 -7 4 15 12.38 1.80 -4 4 13 67.74 2.05 -3 4 12 54.36 1.56 2 4 7 31.92 2.05 4 4 4 20.97 1.97 4 4 -29 2.73 2.18 5 4 -27 17.41 2.83 6 4 0 72.17 2.44 6 4 -25 16.68 2.38 7 4 -22 4.03 2.55 8 4 -18 12.63 2.53 -22 5 20 -1.43 2.78 -21 5 20 7.29 2.66 -20 5 20 1.36 2.59 -15 5 19 4.65 1.89 -14 5 19 2.56 1.81 -11 5 18 1.42 1.76 -9 5 17 9.06 1.82 -7 5 16 6.19 1.69 -5 5 15 68.36 2.04 -4 5 14 1.02 1.72 5 5 -29 5.09 2.86 6 5 -27 8.67 2.83 7 5 -25 6.37 2.70 8 5 -22 143.44 3.71 9 5 -17 10.26 2.72 -15 6 20 46.01 2.15 -11 6 19 11.33 1.87 -9 6 18 4.12 1.76 -7 6 17 120.87 2.18 -5 6 16 4.53 1.67 -1 6 13 39.43 1.90 0 6 12 144.62 2.30 1 6 11 193.98 2.52 2 6 10 26.12 1.83 5 6 6 2.63 1.73 6 6 4 11.76 1.81 6 6 -29 -1.68 3.14 7 6 -27 2.92 2.82 8 6 0 368.36 4.22 8 6 -25 0.75 2.16 9 6 -3 31.86 2.49 10 6 -16 54.87 3.37 -17 7 21 4.37 2.09 -16 7 21 3.81 1.91 -12 7 20 11.05 1.91 -9 7 19 13.13 1.86 -7 7 18 1.54 1.75 -4 7 16 12.49 1.74 -1 7 14 43.81 1.83 0 7 13 -0.94 1.70 1 7 12 83.12 1.99 2 7 11 58.59 1.96 3 7 10 103.07 2.20 5 7 7 6.92 1.76 7 7 4 75.57 2.07 8 7 2 194.53 3.17 9 7 -24 1.74 2.83 10 7 -4 7.41 2.21 -13 8 21 1.29 1.95 -8 8 19 0.55 1.69 -6 8 18 24.83 1.84 -4 8 17 -2.52 1.68 -3 8 16 1.93 1.25 0 8 14 26.02 1.75 1 8 13 5.33 1.64 2 8 12 5.46 1.65 3 8 11 108.82 2.16 5 8 8 16.15 1.33 6 8 7 294.51 2.91 7 8 5 1.00 1.57 9 8 1 323.63 3.43 9 8 -26 0.99 3.01 10 8 -23 9.77 3.07 -16 9 22 -0.82 2.13 -15 9 22 15.33 2.18 -12 9 21 38.53 2.19 -11 9 21 17.45 2.00 -9 9 20 1.30 1.86 -5 9 18 14.36 1.81 -3 9 17 3.28 1.75 -2 9 16 24.98 1.85 5 9 9 -0.16 1.76 6 9 8 3.20 1.83 7 9 6 41.69 1.94 10 9 0 5.25 2.13 11 9 -3 134.34 3.29 11 9 -21 12.19 3.89 12 9 -8 4.62 2.99 -14 10 22 4.91 2.08 -13 10 22 1.76 2.02 -10 10 21 26.59 2.08 -8 10 20 0.02 1.79 -6 10 19 23.08 1.90 -4 10 18 55.69 2.06 -1 10 16 6.14 1.80 0 10 15 54.86 1.94 1 10 14 62.42 1.51 2 10 13 39.14 1.50 3 10 12 3.10 1.24 4 10 11 6.98 1.77 5 10 10 5.34 1.70 7 10 7 38.99 1.95 10 10 1 1.56 1.77 12 10 -18 32.57 5.46 -12 11 22 16.78 2.12 -9 11 21 4.75 1.93 -7 11 20 22.05 2.02 -5 11 19 25.43 1.93 -3 11 18 8.13 1.83 6 11 9 49.70 1.98 8 11 6 71.31 2.12 9 11 4 94.31 2.27 10 11 2 17.40 1.88 12 11 -4 33.71 2.60 12 11 -20 -0.20 4.58 13 11 -10 0.20 3.47 13 11 -11 0.63 3.84 -9 12 21 1.85 1.97 -8 12 21 -1.04 1.96 -6 12 20 2.85 1.86 -3 12 18 -1.80 1.87 0 12 16 10.07 1.79 2 12 14 17.23 1.83 3 12 13 15.70 1.74 4 12 12 76.09 2.10 5 12 11 2.03 1.73 7 12 8 11.73 1.92 9 12 5 27.44 2.36 11 12 0 -0.14 1.94 12 12 -3 2.86 2.40 13 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-5 -6 10.78 2.58 -28 -5 -7 2.12 2.50 -27 -5 -5 1.76 2.49 -26 -5 -4 3.85 1.98 -26 -5 -5 13.15 2.48 -25 -5 -4 0.14 2.26 -24 -5 -4 63.56 2.71 -23 -5 -3 10.89 2.25 -22 -5 -3 24.78 2.36 -21 -5 -3 16.20 2.27 -21 -5 -21 0.87 1.87 -21 -5 -22 7.89 1.93 -20 -5 -3 1.01 2.18 -20 -5 -21 0.35 1.91 -20 -5 -22 14.53 1.91 -19 -5 -3 4.29 1.79 -19 -5 -21 15.28 1.98 -19 -5 -22 5.95 1.91 -18 -5 -4 75.24 2.55 -18 -5 -20 0.59 1.78 -18 -5 -21 4.19 1.91 -17 -5 -4 189.17 2.73 -17 -5 -20 117.13 2.40 -17 -5 -21 18.49 1.95 -16 -5 -5 13.05 2.04 -16 -5 -19 1.31 1.71 -15 -5 -6 15.44 2.08 -15 -5 -18 -1.83 1.69 -15 -5 -19 1.36 1.75 -14 -5 -7 -0.81 1.60 -14 -5 -16 2.65 1.74 -14 -5 -17 2.51 1.67 -14 -5 -18 197.66 2.52 -13 -5 -8 14.48 1.65 -13 -5 -9 5.19 1.68 -13 -5 -10 5.55 1.69 -13 -5 -11 -0.07 1.64 -13 -5 -12 0.08 1.98 -13 -5 -13 17.70 1.73 -13 -5 -14 2.20 1.65 -13 -5 -15 -0.16 1.67 -13 -5 -16 8.20 1.78 -13 -5 -17 -0.89 1.73 -12 -5 -11 64.30 2.03 -12 -5 -12 2.22 1.66 -12 -5 -13 112.48 2.12 -12 -5 -14 5.80 1.67 -30 -4 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7 19 3.81 1.85 -5 7 17 6.28 1.34 -3 7 16 -0.13 1.73 -2 7 15 3.93 1.66 4 7 9 25.85 1.95 6 7 6 -0.90 1.71 7 7 -28 3.61 2.99 8 7 -26 2.38 2.85 9 7 0 -1.14 2.34 10 7 -20 15.83 2.79 -17 8 22 -0.51 1.47 -16 8 22 0.81 2.17 -15 8 22 2.27 2.03 -12 8 21 2.80 1.99 -9 8 20 2.72 1.86 -7 8 19 3.17 1.79 -5 8 18 0.15 1.77 -2 8 16 0.50 1.76 -1 8 15 10.13 1.79 4 8 10 14.99 1.79 8 8 4 44.92 2.20 9 8 -25 3.10 3.46 10 8 -1 437.04 4.39 11 8 -5 5.49 2.30 11 8 -18 6.12 3.39 -14 9 22 10.97 1.63 -13 9 22 1.21 2.03 -10 9 21 5.29 1.84 -8 9 20 5.11 1.84 -6 9 19 28.33 1.52 -4 9 18 10.17 1.80 -1 9 16 85.40 2.09 0 9 15 0.33 1.73 1 9 14 38.61 1.95 2 9 13 81.81 2.15 3 9 12 -1.18 1.72 4 9 11 71.92 1.99 8 9 5 17.78 1.79 9 9 3 157.37 2.47 10 9 -24 2.12 3.47 -12 10 22 26.63 2.19 -11 10 22 1.70 1.95 -9 10 21 -1.13 1.84 -7 10 20 30.71 1.52 -5 10 19 60.46 2.10 -3 10 18 39.66 2.02 -2 10 17 12.78 1.34 2 10 14 3.44 1.77 3 10 13 79.19 2.09 6 10 9 53.32 2.02 8 10 6 90.89 2.22 9 10 4 36.00 1.96 10 10 2 47.21 2.45 11 10 -1 -0.03 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1.08 1.66 -14 -5 -13 62.23 1.95 -14 -5 -14 33.08 1.81 -14 -5 -15 17.88 1.78 -28 -4 0 1.23 2.90 -26 -4 1 13.53 2.95 -22 -4 2 36.11 2.91 -21 -4 2 18.17 2.74 -18 -4 -25 5.01 1.95 -17 -4 -25 11.38 1.87 -16 -4 -24 22.79 2.03 -15 -4 -24 1.69 1.88 -14 -4 -23 3.82 1.82 -13 -4 -1 51.26 2.46 -13 -4 -22 29.90 1.93 -12 -4 -2 15.81 2.19 -12 -4 -21 26.39 1.85 -12 -4 -22 -0.21 1.26 -11 -4 -3 284.67 3.29 -11 -4 -20 2.12 1.67 -10 -4 -18 1.29 1.72 -10 -4 -19 158.17 2.38 -9 -4 -6 0.89 1.69 -9 -4 -7 16.64 1.77 -9 -4 -16 1.74 1.72 -9 -4 -17 4.78 1.76 -8 -4 -10 30.49 1.84 -8 -4 -11 104.67 2.24 -8 -4 -12 138.43 2.27 -8 -4 -13 57.86 1.95 -8 -4 -14 1.01 1.63 -14 -3 -27 15.91 2.05 -13 -3 -27 3.52 1.91 -12 -3 -26 0.13 1.87 -11 -3 -25 54.29 2.16 -11 -3 -26 13.95 1.46 -10 -3 -25 3.00 1.80 -8 -3 -22 68.55 2.02 -7 -3 -21 59.03 2.01 -6 -3 -4 209.41 3.13 -6 -3 -19 11.47 1.79 -5 -3 -7 22.82 1.98 -5 -3 -15 7.99 1.83 -5 -3 -16 72.92 2.01 -5 -3 -17 109.50 1.77 -18 -2 9 20.15 4.46 -11 -2 -29 2.47 1.96 -10 -2 -28 32.24 2.18 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24.50 2.18 1 1 -25 82.45 2.54 2 1 -23 5.02 1.85 3 1 -3 18.19 4.50 3 1 -20 10.36 1.85 4 1 -7 18.43 2.00 4 1 -15 189.96 3.14 4 1 -16 54.53 1.99 -24 2 17 1.31 2.69 -23 2 17 0.82 2.62 -22 2 17 8.90 2.69 -21 2 17 1.69 2.47 -20 2 17 58.58 2.89 -19 2 17 9.66 2.42 -14 2 16 29.69 2.27 -11 2 15 62.55 2.36 -9 2 14 108.14 2.61 -6 2 12 228.34 2.79 0 2 -29 36.79 2.38 1 2 -28 4.22 2.20 2 2 -26 2.49 2.00 3 2 -24 120.54 2.78 4 2 -22 25.42 2.02 5 2 -18 23.62 2.34 -25 3 18 0.12 2.81 -18 3 18 31.99 2.21 -17 3 18 29.52 2.49 -16 3 18 1.73 2.23 -13 3 17 0.95 1.70 -10 3 16 2.48 2.09 -8 3 15 196.99 2.83 -5 3 13 30.92 1.87 -4 3 12 49.71 1.57 0 3 -31 0.84 2.26 1 3 7 8.83 2.04 1 3 -30 0.61 2.12 3 3 4 30.52 2.18 3 3 -27 -0.69 2.13 4 3 -25 7.01 2.02 5 3 0 0.25 2.31 5 3 -23 52.74 2.45 6 3 -20 4.02 1.93 7 3 -9 402.56 6.06 7 3 -13 19.45 2.40 7 3 -14 41.36 2.68 -17 4 19 3.16 1.92 -16 4 19 74.70 2.38 -15 4 19 22.08 2.35 -12 4 18 2.10 1.76 -10 4 17 140.54 2.51 -8 4 16 60.41 1.59 -6 4 15 124.50 2.28 -3 4 13 442.53 3.29 -2 4 12 3.21 1.81 -1 4 11 63.36 2.06 0 4 10 303.76 2.99 1 4 9 3.77 1.84 3 4 -29 9.23 2.34 8 4 -15 1.51 2.28 -16 5 20 1.21 1.88 -15 5 20 101.36 2.82 -12 5 19 -0.40 1.72 -9 5 18 10.27 1.86 -7 5 17 0.75 1.66 -4 5 15 126.44 2.32 -3 5 14 1.03 1.20 3 5 8 361.72 3.28 5 5 5 1.42 1.95 5 5 -28 1.72 2.32 6 5 3 6.41 1.91 6 5 -26 1.28 2.29 7 5 1 8.30 2.25 8 5 -2 138.47 3.51 9 5 -15 49.77 3.29 -17 6 21 1.06 2.01 -16 6 21 30.38 2.29 -15 6 21 26.74 2.57 -12 6 20 -0.85 1.87 -9 6 19 33.69 1.99 -7 6 18 35.66 1.95 -4 6 16 23.18 1.77 0 6 13 164.21 2.34 4 6 8 2.70 1.80 6 6 5 0.64 1.79 6 6 -28 5.67 2.40 7 6 3 135.58 2.52 7 6 -26 0.85 2.30 9 6 -20 9.21 2.65 10 6 -14 2.01 3.09 -18 7 22 17.26 2.35 -17 7 22 8.78 2.17 -16 7 22 5.95 2.58 -13 7 21 1.13 1.95 -12 7 21 14.96 1.98 -10 7 20 20.39 2.05 -7 7 19 2.51 2.21 -6 7 18 1.01 1.26 -4 7 17 116.68 2.24 0 7 14 0.89 1.65 1 7 13 106.49 2.12 2 7 12 112.11 2.18 5 7 8 547.22 3.67 9 7 -23 -0.11 2.65 10 7 -3 11.44 2.18 10 7 -19 3.76 3.02 -13 8 22 3.12 1.99 -11 8 21 0.86 1.39 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2.13 2.02 9 5 -14 36.96 3.03 -20 6 22 15.74 2.42 -19 6 22 0.02 2.59 -14 6 21 19.96 2.03 -11 6 20 32.20 2.05 -8 6 19 -0.35 1.83 -5 6 17 3.32 1.63 -2 6 15 82.81 2.05 -1 6 14 33.81 1.81 1 6 12 2.52 1.22 2 6 11 2.55 1.79 3 6 10 72.60 2.04 5 6 7 14.50 1.86 5 6 -29 4.36 2.42 6 6 -27 12.34 2.95 7 6 -25 0.91 2.65 8 6 1 70.66 2.36 8 6 -23 -0.39 2.21 9 6 -2 0.61 2.23 10 6 -13 119.62 4.67 -15 7 22 9.26 1.95 -14 7 22 1.19 1.98 -11 7 21 6.12 1.87 -9 7 20 4.97 1.92 -5 7 18 16.43 1.80 -2 7 16 2.24 1.72 -1 7 15 -0.04 1.13 3 7 11 1.27 1.20 4 7 10 254.07 2.69 6 7 7 303.75 3.05 6 7 -29 4.49 2.77 7 7 5 10.59 1.71 7 7 -27 3.14 2.93 8 7 3 25.04 1.89 9 7 -22 24.73 2.97 -16 8 23 14.67 2.31 -15 8 23 3.05 2.13 -12 8 22 2.00 1.95 -9 8 21 3.41 1.82 -7 8 20 17.50 1.83 -5 8 19 47.24 1.98 -2 8 17 48.83 1.99 3 8 12 6.03 1.16 4 8 11 37.90 1.85 5 8 10 2.13 1.75 8 8 5 72.56 2.00 9 8 -24 0.90 2.87 10 8 0 8.09 2.30 11 8 -4 -0.11 2.19 11 8 -17 0.95 3.31 -14 9 23 10.35 2.20 -13 9 23 0.56 2.01 -10 9 22 2.65 1.90 -8 9 21 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193.65 3.16 9 6 -16 4.87 2.46 10 6 -4 117.41 4.02 -12 7 24 50.56 2.37 -9 7 23 2.52 1.93 -7 7 22 1.89 1.87 -5 7 21 8.53 1.75 -2 7 19 6.15 1.77 -1 7 18 0.96 1.76 3 7 14 15.41 1.21 4 7 13 148.89 2.28 5 7 -27 1.36 2.33 6 7 10 2.27 1.83 9 7 4 0.39 1.76 9 7 -19 11.95 2.76 10 7 1 0.73 2.31 11 7 -5 0.55 2.91 -13 8 25 53.60 2.57 -12 8 25 17.89 2.22 -10 8 24 4.22 2.06 -9 8 24 3.13 1.91 -7 8 23 11.78 1.88 -5 8 22 1.80 1.79 -2 8 20 0.29 1.78 -1 8 19 14.22 1.78 4 8 14 3.22 1.24 5 8 13 48.53 1.88 6 8 -27 7.75 2.69 7 8 10 0.91 1.74 8 8 8 19.15 1.86 9 8 6 1.59 1.65 9 8 -21 1.14 2.66 11 8 0 0.24 2.19 -11 9 25 3.40 2.12 -10 9 25 3.40 2.06 -8 9 24 18.39 2.06 -6 9 23 33.00 2.03 -4 9 22 59.64 2.10 -2 9 21 0.38 1.78 -1 9 20 181.27 2.47 0 9 19 0.81 1.22 5 9 14 57.71 2.01 6 9 13 15.59 1.87 7 9 11 7.47 1.21 8 9 -25 7.74 2.62 9 9 8 0.73 1.85 9 9 -23 8.88 3.06 11 9 3 140.04 2.82 12 9 -1 24.14 2.57 -8 10 25 0.12 1.99 -6 10 24 17.02 2.03 -4 10 23 -2.05 1.91 -3 10 22 23.83 1.98 -1 10 21 1.82 1.78 0 10 20 37.04 1.92 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1 6 19.03 2.34 1 1 -11 171.09 2.85 2 1 -8 23.86 2.05 -20 2 22 26.75 2.85 -19 2 22 11.02 2.63 -17 2 22 9.61 2.54 -16 2 -27 31.63 2.37 -15 2 -27 9.06 2.08 -14 2 -27 9.41 1.51 -13 2 21 26.33 2.01 -12 2 21 1.96 2.15 -12 2 -26 1.97 1.96 -11 2 -26 6.44 2.01 -10 2 20 2.12 1.76 -9 2 -25 5.68 1.97 -8 2 19 24.96 1.92 -7 2 -24 3.71 1.80 -6 2 18 39.38 1.94 -6 2 -23 26.48 2.00 -5 2 17 10.99 1.62 -4 2 -22 19.33 1.46 -3 2 -21 64.19 2.17 -2 2 -20 1.54 1.79 0 2 12 415.17 3.51 1 2 -16 60.94 2.18 2 2 -14 30.74 1.92 4 2 3 242.51 3.60 -19 3 24 -0.09 2.70 -13 3 23 0.74 1.82 -12 3 23 37.99 2.58 -10 3 22 10.82 1.79 -9 3 -27 17.39 2.15 -7 3 -26 1.01 2.01 -6 3 20 3.99 1.67 -5 3 -25 2.63 1.94 -4 3 -24 3.15 1.86 -3 3 18 2.38 1.72 -2 3 17 10.60 1.85 -1 3 16 42.29 1.97 0 3 15 1.52 1.75 0 3 -20 -0.24 1.94 1 3 14 21.42 1.85 1 3 -19 293.78 3.30 3 3 -16 10.48 1.90 4 3 -14 27.45 2.17 5 3 6 3.86 1.96 -15 4 25 12.66 2.19 -14 4 25 8.72 2.07 -11 4 24 8.96 1.93 -10 4 24 70.55 2.38 -10 4 -29 0.07 2.01 -9 4 -29 3.84 2.17 -8 4 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4 -26 3.95 1.40 -6 4 24 2.87 1.76 -6 4 -25 13.77 2.05 -5 4 -24 1.28 1.97 -4 4 23 -0.25 1.82 -3 4 22 12.03 1.85 -3 4 -23 45.73 2.35 -2 4 -22 109.79 2.53 0 4 20 9.64 1.72 3 4 16 125.90 2.20 3 4 -17 297.30 3.44 4 4 15 55.53 2.00 5 4 13 103.70 2.20 6 4 11 48.88 2.01 7 4 8 3.02 1.86 8 4 4 351.70 3.61 -12 5 28 0.63 2.12 -9 5 27 0.56 1.98 -7 5 26 54.93 2.26 -7 5 -27 -0.25 2.08 -5 5 25 6.47 1.87 -5 5 -26 42.74 2.33 -3 5 24 17.74 1.90 -2 5 23 -0.95 1.20 -2 5 -24 69.33 2.53 0 5 22 1.89 1.74 1 5 21 7.65 1.73 4 5 17 62.77 1.52 4 5 -18 2.02 1.93 5 5 16 77.76 2.02 6 5 14 16.12 1.86 7 5 12 0.05 1.77 8 5 10 241.21 2.86 9 5 6 2.18 1.76 -9 6 -29 8.49 2.27 -8 6 28 13.26 2.17 -8 6 -29 2.99 2.17 -6 6 27 14.22 1.97 -6 6 -28 1.67 2.20 -4 6 -27 5.43 2.16 -2 6 25 2.85 1.79 -1 6 24 4.15 1.81 -1 6 -25 3.34 2.14 0 6 -24 60.85 2.51 4 6 19 63.45 1.55 4 6 -20 9.17 2.07 5 6 18 66.42 2.03 6 6 17 1.67 1.77 7 6 15 23.92 1.79 8 6 13 1.83 1.73 9 6 11 100.35 2.29 10 6 8 2.35 1.75 11 6 1 1.82 1.84 -6 7 -29 6.45 2.36 -5 7 28 9.68 2.00 -4 7 -28 1.58 2.26 -3 7 27 0.65 2.00 -2 7 26 9.10 1.92 -2 7 -27 0.29 2.27 0 7 25 1.10 1.77 1 7 24 6.27 1.82 2 7 23 22.74 1.88 2 7 -24 8.37 2.23 3 7 22 -0.52 1.78 3 7 -23 1.91 2.13 4 7 21 22.96 1.95 5 7 20 139.90 2.27 7 7 17 1.15 1.80 9 7 14 143.51 2.31 10 7 11 101.89 2.23 11 7 8 63.47 2.09 12 7 3 27.41 2.03 12 7 2 12.72 1.97 -3 8 28 3.30 1.90 -2 8 -28 1.05 2.34 -1 8 27 1.93 1.87 0 8 26 2.81 1.86 1 8 25 0.40 1.31 1 8 -26 3.89 2.19 6 8 20 0.15 1.79 6 8 -21 69.92 2.93 7 8 19 3.25 1.75 8 8 17 57.42 1.58 9 8 16 -0.18 1.77 10 8 14 0.80 1.82 11 8 11 86.32 2.21 12 8 8 4.24 1.87 13 8 2 26.89 2.15 0 9 27 -0.34 1.92 0 9 -28 0.07 2.40 1 9 -27 8.36 2.53 3 9 25 3.16 1.87 4 9 24 9.42 1.94 5 9 23 14.54 1.92 7 9 20 23.77 1.43 8 9 19 25.38 1.93 9 9 17 1.39 1.20 10 9 16 6.06 1.74 11 9 14 132.79 2.61 12 9 11 45.12 2.08 13 9 8 0.64 1.73 3 10 26 26.24 2.16 4 10 25 7.38 1.99 5 10 24 3.71 1.91 6 10 23 -0.77 1.92 8 10 20 1.70 1.77 9 10 19 6.92 1.84 10 10 17 17.83 1.96 11 10 15 7.37 1.80 12 10 13 5.57 1.86 13 10 10 1.47 1.73 14 10 7 5.40 1.83 14 10 6 16.09 2.06 5 11 25 0.37 2.01 6 11 24 5.24 1.97 8 11 21 14.49 1.88 9 11 20 74.83 2.32 10 11 18 0.28 1.32 11 11 17 30.14 2.07 12 11 15 29.59 2.03 13 11 12 2.35 1.88 14 11 9 5.06 2.06 15 11 4 19.93 2.16 8 12 22 7.19 2.05 9 12 21 2.84 1.94 10 12 19 4.31 1.39 11 12 18 3.31 2.05 12 12 16 18.04 2.07 13 12 14 90.94 2.52 14 12 11 0.07 1.96 15 12 7 5.22 2.10 11 13 19 -0.22 1.99 12 13 17 12.12 2.19 13 13 15 0.57 2.05 14 13 12 2.61 2.06 15 13 9 0.06 2.06 16 13 4 1.16 2.12 14 14 13 0.95 2.10 15 14 10 6.03 2.26 16 14 6 7.89 2.32 -12 3 -25 10.71 1.49 1 4 19 9.65 1.24 3 5 19 45.84 1.48 6 7 19 12.97 1.29 2 9 26 -0.31 1.32 6 9 22 1.39 1.29 7 10 22 0.37 1.36 7 11 23 2.73 1.38 0 0 0 0.00 0.00 ; _shelx_hkl_checksum 29050 _database_code_depnum_ccdc_archive 'CCDC 953835' ####################################################################### # # Cambridge Crystallographic Data Centre # CCDC # ####################################################################### # # This CIF contains data from an original supplementary publication # deposited with the CCDC, and may include chemical, crystal, # experimental, refinement, atomic coordinates, # anisotropic displacement parameters and molecular geometry data, # as required by the journal to which it was submitted. # # This CIF is provided on the understanding that it is used for bona # fide research purposes only. It may contain copyright material # of the CCDC or of third parties, and may not be copied or further # disseminated in any form, whether machine-readable or not, # except for the purpose of generating routine backup copies # on your local computer system. # # For further information on the CCDC, data deposition and # data retrieval see: # www.ccdc.cam.ac.uk # # Bona fide researchers may freely download Mercury and enCIFer # from this site to visualise CIF-encoded structures and # to carry out CIF format checking respectively. # data_ik878a _audit_creation_method SHELXL-2013 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety 'C64.4 H64.8 Cu4 N12 O40 Y4, 6(C H4 O)' _chemical_formula_sum 'C70.4 H88.8 Cu4 N12 O46 Y4' _chemical_formula_weight 2448.93 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Y Y -2.7962 3.5667 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _space_group_crystal_system orthorhombic _space_group_IT_number 61 _space_group_name_H-M_alt 'P b c a' _space_group_name_Hall '-P 2ac 2ab' _shelx_space_group_comment ; The symmetry employed for this shelxl refinement is uniquely defined by the following loop, which should always be used as a source of symmetry information in preference to the above space-group names. They are only intended as comments. ; loop_ _space_group_symop_operation_xyz 'x, y, z' '-x+1/2, -y, z+1/2' '-x, y+1/2, -z+1/2' 'x+1/2, -y+1/2, -z' '-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 24.8476(9) _cell_length_b 14.0945(4) _cell_length_c 25.6548(8) _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 8984.7(5) _cell_formula_units_Z 4 _cell_measurement_temperature 150(2) _cell_measurement_reflns_used 55021 _cell_measurement_theta_min 1.59 _cell_measurement_theta_max 28.01 _exptl_crystal_description block _exptl_crystal_colour 'dark green' _exptl_crystal_density_meas ? _exptl_crystal_density_method ? _exptl_crystal_density_diffrn 1.810 _exptl_crystal_F_000 4941 _exptl_transmission_factor_min ? _exptl_transmission_factor_max ? _exptl_crystal_size_max 0.260 _exptl_crystal_size_mid 0.210 _exptl_crystal_size_min 0.140 _exptl_absorpt_coefficient_mu 3.585 _shelx_estimated_absorpt_T_min 0.456 _shelx_estimated_absorpt_T_max 0.634 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.366 _exptl_absorpt_correction_T_max 0.515 _exptl_absorpt_process_details ; XPREP in SHELXTL 6.14 (BrukerAXS Inc., 2003) ; _exptl_special_details ; ? ; _diffrn_ambient_temperature 150(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_source 'fine-focus sealed tube' _diffrn_measurement_device_type 'Stoe IPDS II' _diffrn_measurement_method 'area detector, \w-scans' _diffrn_detector_area_resol_mean 6.667 _diffrn_reflns_number 109863 _diffrn_reflns_av_unetI/netI 0.0339 _diffrn_reflns_av_R_equivalents 0.0804 _diffrn_reflns_limit_h_min -31 _diffrn_reflns_limit_h_max 31 _diffrn_reflns_limit_k_min -17 _diffrn_reflns_limit_k_max 17 _diffrn_reflns_limit_l_min -32 _diffrn_reflns_limit_l_max 32 _diffrn_reflns_theta_min 2.185 _diffrn_reflns_theta_max 26.732 _diffrn_reflns_theta_full 25.250 _diffrn_measured_fraction_theta_max 1.000 _diffrn_measured_fraction_theta_full 0.999 _diffrn_reflns_Laue_measured_fraction_max 1.000 _diffrn_reflns_Laue_measured_fraction_full 0.999 _diffrn_reflns_point_group_measured_fraction_max 1.000 _diffrn_reflns_point_group_measured_fraction_full 0.999 _reflns_number_total 9539 _reflns_number_gt 8011 _reflns_threshold_expression 'I > 2\s(I)' _reflns_Friedel_coverage 0.000 _reflns_Friedel_fraction_max . _reflns_Friedel_fraction_full . _reflns_special_details ; Reflections were merged by SHELXL according to the crystal class for the calculation of statistics and refinement. _reflns_Friedel_fraction is defined as the number of unique Friedel pairs measured divided by the number that would be possible theoretically, ignoring centric projections and systematic absences. ; _computing_data_collection 'WinXpose 1.6.8 (Stoe & Cie GmbH, 2004)' _computing_cell_refinement 'X-Area 1.38 (Stoe & Cie GmbH, 2006)' _computing_data_reduction 'X-Area 1.38 (Stoe & Cie GmbH, 2006)' _computing_structure_solution 'SHELXL-2013 (Sheldrick, 2013)' _computing_structure_refinement 'SHELXL-2013 (Sheldrick, 2013)' _computing_molecular_graphics 'Diamond 2.1 (Crystal Impact, 1998)' _computing_publication_material 'SHELXL-2013 (Sheldrick, 2013)' _refine_special_details ; C(2) clearly had an occupancy of much less than 100%, and the bridging ligand centred on O(2) was successfully refined as a disordered superposition of methanol (20%) and aquo (80%) ligands. A similarity restraint was applied between the isotropic temperature factor of C(2) and the anisotropic factor of O(2). O(1)-H(1), O(2)-H(21) and O(2)-H(22) (H(22) with 80% occupancy) were restrained to 0.92(4) Ang. O-H H-atoms of lattice methanols and oxime ligands were refined using AFIX 147. ; _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme calc _refine_ls_weighting_details ; w=1/[\s^2^(Fo^2^)+(0.0858P)^2^+25.0756P] where P=(Fo^2^+2Fc^2^)/3 ; _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens mixed _refine_ls_hydrogen_treatment mixed _refine_ls_extinction_method none _refine_ls_extinction_coef . _refine_ls_number_reflns 9539 _refine_ls_number_parameters 638 _refine_ls_number_restraints 11 _refine_ls_R_factor_all 0.0785 _refine_ls_R_factor_gt 0.0642 _refine_ls_wR_factor_ref 0.1557 _refine_ls_wR_factor_gt 0.1481 _refine_ls_goodness_of_fit_ref 1.099 _refine_ls_restrained_S_all 1.099 _refine_ls_shift/su_max 0.001 _refine_ls_shift/su_mean 0.000 loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_site_symmetry_order _atom_site_calc_flag _atom_site_refinement_flags_posn _atom_site_refinement_flags_adp _atom_site_refinement_flags_occupancy _atom_site_disorder_assembly _atom_site_disorder_group Y1 Y 0.59377(2) 0.54522(4) 0.41221(2) 0.02071(12) Uani 1 1 d . . . . . Y2 Y 0.55310(2) 0.35065(4) 0.33548(2) 0.02294(13) Uani 1 1 d . . . . . Cu1 Cu 0.47454(2) 0.40924(4) 0.47199(2) 0.01960(14) Uani 1 1 d . . . . . Cu2 Cu 0.44377(3) 0.20816(5) 0.36705(3) 0.02965(17) Uani 1 1 d . . . . . O1 O 0.61322(15) 0.4681(3) 0.33898(15) 0.0258(8) Uani 1 1 d D . . . . H1 H 0.639(2) 0.482(5) 0.316(2) 0.031 Uiso 1 1 d D U . . . O2 O 0.41617(18) 0.2831(3) 0.44886(16) 0.0329(9) Uani 1 1 d D U . . . H21 H 0.3812(17) 0.300(5) 0.447(3) 0.039 Uiso 1 1 d D U . . . H22 H 0.421(4) 0.255(7) 0.480(2) 0.039 Uiso 0.8 1 d D U P A 1 C2 C 0.424(2) 0.197(4) 0.4822(19) 0.066(11) Uiso 0.2 1 d . U P B 2 H2A H 0.3920 0.1559 0.4793 0.099 Uiso 0.2 1 calc R U P B 2 H2B H 0.4287 0.2161 0.5186 0.099 Uiso 0.2 1 calc R U P B 2 H2C H 0.4557 0.1619 0.4704 0.099 Uiso 0.2 1 calc R U P B 2 O3 O 0.41058(14) 0.4750(3) 0.49785(13) 0.0224(7) Uani 1 1 d . . . . . C3 C 0.3710(2) 0.5119(4) 0.4690(2) 0.0220(10) Uani 1 1 d . . . . . C4 C 0.3225(2) 0.5337(4) 0.4937(2) 0.0252(11) Uani 1 1 d . . . . . O4 O 0.32202(15) 0.5131(3) 0.54655(15) 0.0273(8) Uani 1 1 d . . . . . C10 C 0.2748(3) 0.5398(6) 0.5753(3) 0.0427(16) Uani 1 1 d . . . . . H10A H 0.2673 0.6072 0.5697 0.064 Uiso 1 1 calc R U . . . H10B H 0.2808 0.5283 0.6125 0.064 Uiso 1 1 calc R U . . . H10C H 0.2441 0.5020 0.5633 0.064 Uiso 1 1 calc R U . . . C5 C 0.2791(2) 0.5688(4) 0.4660(2) 0.0308(12) Uani 1 1 d . . . . . H5A H 0.2460 0.5811 0.4831 0.037 Uiso 1 1 calc R U . . . C6 C 0.2843(2) 0.5861(5) 0.4123(2) 0.0346(13) Uani 1 1 d . . . . . H6A H 0.2547 0.6102 0.3930 0.041 Uiso 1 1 calc R U . . . C7 C 0.3324(2) 0.5680(4) 0.3878(2) 0.0308(12) Uani 1 1 d . . . . . H7A H 0.3358 0.5803 0.3516 0.037 Uiso 1 1 calc R U . . . C8 C 0.3771(2) 0.5313(4) 0.4156(2) 0.0245(11) Uani 1 1 d . . . . . C9 C 0.4272(2) 0.5217(4) 0.3881(2) 0.0238(10) Uani 1 1 d . . . . . H9A H 0.4293 0.5502 0.3546 0.029 Uiso 1 1 calc R U . . . N1 N 0.46917(17) 0.4784(3) 0.40455(16) 0.0195(8) Uani 1 1 d . . . . . O5 O 0.51334(14) 0.4872(3) 0.37211(13) 0.0212(7) Uani 1 1 d . . . . . O6 O 0.47322(14) 0.3698(3) 0.54501(14) 0.0219(7) Uani 1 1 d . . . . . C11 C 0.5024(2) 0.3014(4) 0.5684(2) 0.0230(10) Uani 1 1 d . . . . . C12 C 0.4868(2) 0.2708(4) 0.6179(2) 0.0263(11) Uani 1 1 d . . . . . O7 O 0.44267(15) 0.3179(3) 0.63854(14) 0.0262(8) Uani 1 1 d . . . . . C18 C 0.4235(3) 0.2836(5) 0.6877(2) 0.0340(13) Uani 1 1 d . . . . . H18A H 0.4120 0.2174 0.6840 0.051 Uiso 1 1 calc R U . . . H18B H 0.3929 0.3223 0.6991 0.051 Uiso 1 1 calc R U . . . H18C H 0.4524 0.2876 0.7136 0.051 Uiso 1 1 calc R U . . . C13 C 0.5150(3) 0.2007(4) 0.6442(2) 0.0337(13) Uani 1 1 d . . . . . H13A H 0.5037 0.1804 0.6778 0.040 Uiso 1 1 calc R U . . . C14 C 0.5604(3) 0.1601(5) 0.6205(3) 0.0385(15) Uani 1 1 d . . . . . H14A H 0.5801 0.1119 0.6380 0.046 Uiso 1 1 calc R U . . . C15 C 0.5766(2) 0.1902(5) 0.5715(2) 0.0351(13) Uani 1 1 d . . . . . H15A H 0.6076 0.1630 0.5558 0.042 Uiso 1 1 calc R U . . . C16 C 0.5477(2) 0.2605(4) 0.5447(2) 0.0260(11) Uani 1 1 d . . . . . C17 C 0.5693(2) 0.2933(4) 0.4953(2) 0.0231(10) Uani 1 1 d . . . . . H17A H 0.6036 0.2693 0.4856 0.028 Uiso 1 1 calc R U . . . N2 N 0.54675(17) 0.3515(3) 0.46339(16) 0.0212(9) Uani 1 1 d . . . . . O8 O 0.57929(14) 0.3772(3) 0.42263(13) 0.0218(7) Uani 1 1 d . . . . . O9 O 0.46175(15) 0.3170(3) 0.32390(15) 0.0279(8) Uani 1 1 d . . . . . C19 C 0.4300(2) 0.3649(4) 0.2909(2) 0.0300(12) Uani 1 1 d . . . . . C20 C 0.4543(2) 0.4330(4) 0.2581(2) 0.0306(12) Uani 1 1 d . . . . . O10 O 0.50953(16) 0.4366(3) 0.26222(14) 0.0288(8) Uani 1 1 d . . . . . C26 C 0.5357(3) 0.5114(5) 0.2333(3) 0.0404(15) Uani 1 1 d . . . . . H26A H 0.5299 0.5014 0.1959 0.061 Uiso 1 1 calc R U . . . H26B H 0.5744 0.5107 0.2407 0.061 Uiso 1 1 calc R U . . . H26C H 0.5205 0.5728 0.2435 0.061 Uiso 1 1 calc R U . . . C21 C 0.4239(3) 0.4860(5) 0.2240(3) 0.0404(15) Uani 1 1 d . . . . . H21A H 0.4407 0.5317 0.2022 0.049 Uiso 1 1 calc R U . . . C22 C 0.3681(3) 0.4725(6) 0.2217(3) 0.0500(18) Uani 1 1 d . . . . . H22A H 0.3468 0.5099 0.1988 0.060 Uiso 1 1 calc R U . . . C23 C 0.3441(3) 0.4054(6) 0.2524(3) 0.0468(17) Uani 1 1 d . . . . . H23A H 0.3063 0.3965 0.2503 0.056 Uiso 1 1 calc R U . . . C24 C 0.3744(2) 0.3495(5) 0.2869(2) 0.0334(13) Uani 1 1 d . . . . . C25 C 0.3459(2) 0.2783(5) 0.3163(3) 0.0378(14) Uani 1 1 d . . . . . H25A H 0.3078 0.2770 0.3130 0.045 Uiso 1 1 calc R U . . . N3 N 0.3675(2) 0.2166(4) 0.3465(2) 0.0386(12) Uani 1 1 d . . . . . O11 O 0.33150(19) 0.1576(4) 0.3717(2) 0.0497(13) Uani 1 1 d D . . . . O12 O 0.52166(16) 0.2117(3) 0.37640(15) 0.0278(8) Uani 1 1 d . . . . . C27 C 0.5540(2) 0.1442(4) 0.3937(2) 0.0324(12) Uani 1 1 d . . . . . C28 C 0.6095(3) 0.1531(5) 0.3852(3) 0.0357(13) Uani 1 1 d . . . . . O13 O 0.62416(16) 0.2320(3) 0.35683(17) 0.0329(9) Uani 1 1 d . . . . . C34 C 0.6807(3) 0.2506(6) 0.3516(4) 0.059(2) Uani 1 1 d . . . . . H34A H 0.6976 0.2507 0.3861 0.088 Uiso 1 1 calc R U . . . H34B H 0.6859 0.3127 0.3351 0.088 Uiso 1 1 calc R U . . . H34C H 0.6972 0.2013 0.3299 0.088 Uiso 1 1 calc R U . . . C29 C 0.6452(3) 0.0868(6) 0.4033(4) 0.056(2) Uani 1 1 d . . . . . H29A H 0.6828 0.0951 0.3981 0.067 Uiso 1 1 calc R U . . . C30 C 0.6258(3) 0.0059(7) 0.4298(5) 0.078(3) Uani 1 1 d . . . . . H30A H 0.6504 -0.0401 0.4425 0.094 Uiso 1 1 calc R U . . . C31 C 0.5720(3) -0.0064(7) 0.4372(4) 0.063(2) Uani 1 1 d . . . . . H31A H 0.5594 -0.0615 0.4547 0.076 Uiso 1 1 calc R U . . . C32 C 0.5346(3) 0.0614(5) 0.4192(3) 0.0395(15) Uani 1 1 d . . . . . C33 C 0.4792(3) 0.0424(5) 0.4283(3) 0.0455(16) Uani 1 1 d . . . . . H33A H 0.4706 -0.0087 0.4509 0.055 Uiso 1 1 calc R U . . . N4 N 0.4394(2) 0.0893(4) 0.4081(2) 0.0413(13) Uani 1 1 d . . . . . O14 O 0.3900(2) 0.0541(4) 0.4219(3) 0.0638(17) Uani 1 1 d . . . . . H14 H 0.3662 0.0787 0.4029 0.096 Uiso 1 1 calc R U . . . N5 N 0.6691(2) 0.7039(4) 0.4090(2) 0.0360(11) Uani 1 1 d . . . . . O15 O 0.63572(17) 0.6952(3) 0.44615(16) 0.0356(10) Uani 1 1 d . . . . . O16 O 0.67013(17) 0.6353(3) 0.37617(16) 0.0330(9) Uani 1 1 d . . . . . O17 O 0.6985(2) 0.7723(4) 0.4039(2) 0.0532(13) Uani 1 1 d . . . . . N6 N 0.5906(2) 0.2458(4) 0.24431(19) 0.0334(11) Uani 1 1 d . . . . . O18 O 0.54740(17) 0.2221(3) 0.26674(16) 0.0343(9) Uani 1 1 d . . . . . O19 O 0.61077(17) 0.3257(3) 0.25885(16) 0.0342(9) Uani 1 1 d D . . . . O20 O 0.6126(2) 0.1972(4) 0.21058(19) 0.0503(13) Uani 1 1 d . . . . . O41 O 0.7074(3) 0.4955(5) 0.2788(2) 0.0721(18) Uani 1 1 d . . . . . H41 H 0.7045 0.4542 0.2554 0.108 Uiso 1 1 calc R U . . . C41 C 0.7217(4) 0.5841(7) 0.2559(3) 0.063(2) Uani 1 1 d . . . . . H41A H 0.7002 0.5942 0.2243 0.095 Uiso 1 1 calc R U . . . H41B H 0.7600 0.5836 0.2468 0.095 Uiso 1 1 calc R U . . . H41C H 0.7146 0.6354 0.2807 0.095 Uiso 1 1 calc R U . . . O42 O 0.7124(2) 0.3496(5) 0.2065(2) 0.0650(16) Uani 1 1 d . . . . . H42 H 0.6824 0.3305 0.2174 0.097 Uiso 1 1 calc DR U . . . C42 C 0.7082(4) 0.3736(8) 0.1531(3) 0.065(2) Uani 1 1 d . . . . . H42A H 0.6793 0.4202 0.1483 0.097 Uiso 1 1 calc R U . . . H42B H 0.7000 0.3164 0.1328 0.097 Uiso 1 1 calc R U . . . H42C H 0.7423 0.4006 0.1411 0.097 Uiso 1 1 calc R U . . . O43 O 0.3063(2) 0.3053(4) 0.4379(2) 0.0580(14) Uani 1 1 d . . . . . H43 H 0.3057 0.2528 0.4224 0.087 Uiso 1 1 calc DR U . . . C43 C 0.2626(3) 0.3105(6) 0.4731(3) 0.0542(19) Uani 1 1 d . . . . . H43A H 0.2677 0.2641 0.5011 0.081 Uiso 1 1 calc R U . . . H43B H 0.2290 0.2967 0.4545 0.081 Uiso 1 1 calc R U . . . H43C H 0.2607 0.3744 0.4880 0.081 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 Y1 0.0187(2) 0.0227(2) 0.0208(2) 0.00006(19) 0.00172(17) -0.00103(19) Y2 0.0221(2) 0.0247(3) 0.0220(2) -0.00238(19) 0.00231(18) -0.00211(19) Cu1 0.0173(3) 0.0218(3) 0.0197(3) 0.0007(2) 0.0007(2) 0.0007(2) Cu2 0.0246(3) 0.0298(4) 0.0345(4) -0.0008(3) 0.0022(3) -0.0042(3) O1 0.0231(18) 0.028(2) 0.0263(18) -0.0041(16) 0.0078(15) -0.0048(15) O2 0.033(2) 0.036(2) 0.029(2) -0.0050(18) -0.0010(18) -0.0073(18) O3 0.0233(18) 0.0242(19) 0.0197(17) -0.0004(14) -0.0024(14) 0.0007(15) C3 0.016(2) 0.023(2) 0.027(2) 0.001(2) 0.0005(19) 0.0027(19) C4 0.020(2) 0.027(3) 0.029(3) 0.003(2) 0.000(2) -0.001(2) O4 0.0210(18) 0.033(2) 0.0280(19) -0.0001(16) 0.0039(15) 0.0022(16) C10 0.031(3) 0.058(4) 0.039(3) 0.010(3) 0.013(3) 0.012(3) C5 0.018(2) 0.035(3) 0.039(3) 0.004(3) 0.006(2) 0.005(2) C6 0.022(3) 0.043(4) 0.039(3) 0.010(3) -0.003(2) 0.007(2) C7 0.028(3) 0.036(3) 0.027(3) 0.006(2) -0.002(2) 0.002(2) C8 0.021(2) 0.026(3) 0.026(3) 0.001(2) -0.002(2) 0.002(2) C9 0.022(2) 0.024(3) 0.025(2) 0.003(2) 0.000(2) -0.001(2) N1 0.018(2) 0.021(2) 0.0192(19) -0.0031(16) 0.0038(15) -0.0005(16) O5 0.0178(16) 0.0262(19) 0.0197(16) -0.0008(14) 0.0028(13) 0.0001(14) O6 0.0193(17) 0.0232(18) 0.0233(17) 0.0016(14) 0.0021(14) 0.0038(14) C11 0.023(2) 0.022(2) 0.024(2) 0.004(2) -0.002(2) 0.000(2) C12 0.023(2) 0.029(3) 0.027(3) 0.006(2) 0.001(2) 0.002(2) O7 0.028(2) 0.028(2) 0.0231(18) 0.0053(15) 0.0043(15) 0.0029(16) C18 0.039(3) 0.036(3) 0.026(3) 0.006(2) 0.006(2) -0.001(3) C13 0.039(3) 0.033(3) 0.029(3) 0.008(2) 0.005(2) 0.004(3) C14 0.036(3) 0.042(4) 0.038(3) 0.018(3) 0.005(3) 0.010(3) C15 0.026(3) 0.040(3) 0.039(3) 0.013(3) 0.003(2) 0.009(3) C16 0.026(3) 0.024(3) 0.028(3) 0.002(2) 0.004(2) 0.003(2) C17 0.017(2) 0.024(3) 0.028(3) 0.003(2) 0.0021(19) 0.004(2) N2 0.021(2) 0.022(2) 0.020(2) -0.0002(17) 0.0038(16) -0.0042(17) O8 0.0198(17) 0.0261(19) 0.0196(16) -0.0015(14) 0.0048(13) -0.0005(14) O9 0.0230(18) 0.035(2) 0.0253(18) 0.0006(16) -0.0022(15) -0.0043(16) C19 0.029(3) 0.032(3) 0.029(3) -0.005(2) -0.002(2) 0.002(2) C20 0.036(3) 0.030(3) 0.027(3) -0.006(2) 0.000(2) 0.004(2) O10 0.031(2) 0.034(2) 0.0218(18) -0.0007(16) 0.0012(15) -0.0051(17) C26 0.046(4) 0.037(3) 0.037(3) 0.006(3) 0.004(3) -0.007(3) C21 0.046(4) 0.033(3) 0.042(3) 0.004(3) -0.002(3) 0.002(3) C22 0.047(4) 0.052(5) 0.051(4) 0.008(3) -0.010(3) 0.015(3) C23 0.037(4) 0.056(4) 0.048(4) 0.004(3) -0.011(3) 0.014(3) C24 0.029(3) 0.041(3) 0.031(3) -0.009(3) -0.005(2) 0.000(3) C25 0.025(3) 0.047(4) 0.041(3) -0.002(3) -0.001(2) -0.005(3) N3 0.029(3) 0.051(3) 0.036(3) -0.004(2) 0.005(2) -0.011(2) O11 0.032(2) 0.055(3) 0.062(3) 0.004(3) 0.005(2) -0.014(2) O12 0.027(2) 0.026(2) 0.0300(19) 0.0029(16) 0.0017(16) -0.0017(16) C27 0.031(3) 0.033(3) 0.034(3) 0.003(2) 0.003(2) 0.005(2) C28 0.034(3) 0.033(3) 0.040(3) -0.004(3) -0.001(3) 0.004(3) O13 0.029(2) 0.030(2) 0.040(2) -0.0019(18) 0.0018(17) 0.0027(17) C34 0.029(3) 0.044(4) 0.103(7) 0.013(4) -0.006(4) -0.005(3) C29 0.038(4) 0.053(5) 0.077(5) 0.018(4) -0.001(4) 0.012(3) C30 0.041(4) 0.073(6) 0.121(8) 0.048(6) 0.008(5) 0.020(4) C31 0.051(5) 0.057(5) 0.081(6) 0.029(5) 0.012(4) 0.008(4) C32 0.042(4) 0.035(3) 0.041(3) 0.010(3) 0.007(3) 0.002(3) C33 0.046(4) 0.033(3) 0.057(4) 0.008(3) 0.011(3) 0.001(3) N4 0.036(3) 0.033(3) 0.054(3) 0.003(3) 0.009(2) -0.003(2) O14 0.034(3) 0.051(3) 0.107(5) 0.030(3) 0.017(3) -0.006(2) N5 0.030(3) 0.037(3) 0.042(3) 0.000(2) 0.001(2) -0.010(2) O15 0.034(2) 0.039(2) 0.034(2) -0.0051(19) 0.0052(17) -0.0107(19) O16 0.029(2) 0.038(2) 0.033(2) 0.0016(18) 0.0067(17) -0.0024(18) O17 0.047(3) 0.048(3) 0.065(3) -0.001(3) 0.007(2) -0.027(2) N6 0.034(3) 0.037(3) 0.030(2) -0.002(2) 0.005(2) 0.000(2) O18 0.034(2) 0.035(2) 0.034(2) -0.0068(18) 0.0100(17) -0.0071(18) O19 0.034(2) 0.034(2) 0.035(2) -0.0068(18) 0.0089(18) -0.0085(18) O20 0.058(3) 0.050(3) 0.042(3) -0.019(2) 0.020(2) 0.003(2) O41 0.071(4) 0.081(4) 0.064(4) -0.007(3) 0.034(3) -0.012(4) C41 0.055(5) 0.078(6) 0.057(5) 0.012(5) 0.010(4) 0.004(4) O42 0.039(3) 0.092(5) 0.064(4) 0.008(3) 0.011(3) -0.015(3) C42 0.051(5) 0.088(7) 0.055(5) 0.002(5) 0.007(4) -0.005(5) O43 0.047(3) 0.066(4) 0.062(3) -0.013(3) 0.005(3) -0.008(3) C43 0.049(4) 0.060(5) 0.054(4) -0.011(4) 0.007(3) -0.005(4) _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 Cu1 O6 1.954(4) . ? Cu1 O3 1.955(4) . ? Cu1 N2 1.982(4) . ? Cu1 N1 1.990(4) . ? Cu1 O2 2.370(4) . ? Cu2 O9 1.944(4) . ? Cu2 O12 1.951(4) . ? Cu2 N3 1.972(6) . ? Cu2 N4 1.981(6) . ? Cu2 O2 2.448(4) . ? O1 H1 0.89(4) . ? O2 C2 1.50(5) . ? O2 H21 0.90(4) . ? O2 H22 0.89(4) . ? C2 H2A 0.9800 . ? C2 H2B 0.9800 . ? C2 H2C 0.9800 . ? O3 C3 1.336(6) . ? C3 C4 1.397(7) . ? C3 C8 1.405(7) . ? C4 C5 1.383(8) . ? C4 O4 1.386(7) . ? O4 C10 1.436(7) . ? C10 H10A 0.9800 . ? C10 H10B 0.9800 . ? C10 H10C 0.9800 . ? C5 C6 1.404(8) . ? C5 H5A 0.9500 . ? C6 C7 1.375(8) . ? C6 H6A 0.9500 . ? C7 C8 1.416(8) . ? C7 H7A 0.9500 . ? C8 C9 1.437(7) . ? C9 N1 1.281(7) . ? C9 H9A 0.9500 . ? N1 O5 1.383(5) . ? O6 C11 1.346(6) . ? C11 C12 1.396(7) . ? C11 C16 1.402(7) . ? C12 C13 1.387(8) . ? C12 O7 1.388(7) . ? O7 C18 1.433(6) . ? C18 H18A 0.9800 . ? C18 H18B 0.9800 . ? C18 H18C 0.9800 . ? C13 C14 1.404(9) . ? C13 H13A 0.9500 . ? C14 C15 1.386(8) . ? C14 H14A 0.9500 . ? C15 C16 1.403(8) . ? C15 H15A 0.9500 . ? C16 C17 1.452(7) . ? C17 N2 1.289(7) . ? C17 H17A 0.9500 . ? N2 O8 1.371(5) . ? O9 C19 1.339(7) . ? C19 C24 1.403(8) . ? C19 C20 1.413(9) . ? C20 O10 1.377(7) . ? C20 C21 1.377(9) . ? O10 C26 1.444(7) . ? C26 H26A 0.9800 . ? C26 H26B 0.9800 . ? C26 H26C 0.9800 . ? C21 C22 1.401(10) . ? C21 H21A 0.9500 . ? C22 C23 1.365(11) . ? C22 H22A 0.9500 . ? C23 C24 1.404(9) . ? C23 H23A 0.9500 . ? C24 C25 1.441(9) . ? C25 N3 1.282(9) . ? C25 H25A 0.9500 . ? N3 O11 1.382(7) . ? O12 C27 1.321(7) . ? C27 C28 1.402(9) . ? C27 C32 1.421(9) . ? C28 C29 1.370(10) . ? C28 O13 1.379(8) . ? O13 C34 1.436(8) . ? C34 H34A 0.9800 . ? C34 H34B 0.9800 . ? C34 H34C 0.9800 . ? C29 C30 1.411(12) . ? C29 H29A 0.9500 . ? C30 C31 1.362(12) . ? C30 H30A 0.9500 . ? C31 C32 1.410(11) . ? C31 H31A 0.9500 . ? C32 C33 1.423(10) . ? C33 N4 1.296(9) . ? C33 H33A 0.9500 . ? N4 O14 1.372(7) . ? O14 H14 0.8400 . ? N5 O17 1.216(7) . ? N5 O15 1.270(7) . ? N5 O16 1.282(7) . ? N6 O20 1.230(7) . ? N6 O18 1.264(6) . ? N6 O19 1.287(7) . ? O41 C41 1.426(11) . ? O41 H41 0.8400 . ? C41 H41A 0.9800 . ? C41 H41B 0.9800 . ? C41 H41C 0.9800 . ? O42 C42 1.416(10) . ? O42 H42 0.8400 . ? C42 H42A 0.9800 . ? C42 H42B 0.9800 . ? C42 H42C 0.9800 . ? O43 C43 1.415(9) . ? O43 H43 0.8400 . ? C43 H43A 0.9800 . ? C43 H43B 0.9800 . ? C43 H43C 0.9800 . ? loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle_publ_flag O6 Cu1 O3 78.22(15) . . ? O6 Cu1 N2 90.30(16) . . ? O3 Cu1 N2 165.41(16) . . ? O6 Cu1 N1 166.27(16) . . ? O3 Cu1 N1 90.48(16) . . ? N2 Cu1 N1 99.49(17) . . ? O6 Cu1 O2 90.94(15) . . ? O3 Cu1 O2 86.73(15) . . ? N2 Cu1 O2 102.60(17) . . ? N1 Cu1 O2 96.23(16) . . ? O9 Cu2 O12 79.74(16) . . ? O9 Cu2 N3 91.2(2) . . ? O12 Cu2 N3 170.2(2) . . ? O9 Cu2 N4 169.2(2) . . ? O12 Cu2 N4 90.6(2) . . ? N3 Cu2 N4 98.1(2) . . ? O9 Cu2 O2 102.24(16) . . ? O12 Cu2 O2 99.30(16) . . ? N3 Cu2 O2 86.20(19) . . ? N4 Cu2 O2 83.9(2) . . ? C2 O2 Cu1 112.9(19) . . ? C2 O2 Cu2 95.9(19) . . ? Cu1 O2 Cu2 111.54(17) . . ? C2 O2 H21 111(5) . . ? Cu1 O2 H21 114(5) . . ? Cu2 O2 H21 110(5) . . ? Cu1 O2 H22 92(6) . . ? Cu2 O2 H22 122(6) . . ? H21 O2 H22 107(8) . . ? O2 C2 H2A 109.5 . . ? O2 C2 H2B 109.5 . . ? H2A C2 H2B 109.5 . . ? O2 C2 H2C 109.5 . . ? H2A C2 H2C 109.5 . . ? H2B C2 H2C 109.5 . . ? C3 O3 Cu1 126.5(3) . . ? O3 C3 C4 117.9(5) . . ? O3 C3 C8 122.5(5) . . ? C4 C3 C8 119.5(5) . . ? C5 C4 O4 124.9(5) . . ? C5 C4 C3 121.1(5) . . ? O4 C4 C3 113.9(5) . . ? C4 O4 C10 117.0(4) . . ? O4 C10 H10A 109.5 . . ? O4 C10 H10B 109.5 . . ? H10A C10 H10B 109.5 . . ? O4 C10 H10C 109.5 . . ? H10A C10 H10C 109.5 . . ? H10B C10 H10C 109.5 . . ? C4 C5 C6 119.8(5) . . ? C4 C5 H5A 120.1 . . ? C6 C5 H5A 120.1 . . ? C7 C6 C5 119.7(5) . . ? C7 C6 H6A 120.2 . . ? C5 C6 H6A 120.2 . . ? C6 C7 C8 121.3(5) . . ? C6 C7 H7A 119.3 . . ? C8 C7 H7A 119.3 . . ? C3 C8 C7 118.5(5) . . ? C3 C8 C9 123.6(5) . . ? C7 C8 C9 117.8(5) . . ? N1 C9 C8 126.0(5) . . ? N1 C9 H9A 117.0 . . ? C8 C9 H9A 117.0 . . ? C9 N1 O5 113.9(4) . . ? C9 N1 Cu1 125.1(4) . . ? O5 N1 Cu1 120.9(3) . . ? C11 O6 Cu1 128.4(3) . . ? O6 C11 C12 118.5(5) . . ? O6 C11 C16 122.3(5) . . ? C12 C11 C16 119.2(5) . . ? C13 C12 O7 123.6(5) . . ? C13 C12 C11 121.6(5) . . ? O7 C12 C11 114.8(5) . . ? C12 O7 C18 116.0(4) . . ? O7 C18 H18A 109.5 . . ? O7 C18 H18B 109.5 . . ? H18A C18 H18B 109.5 . . ? O7 C18 H18C 109.5 . . ? H18A C18 H18C 109.5 . . ? H18B C18 H18C 109.5 . . ? C12 C13 C14 119.0(5) . . ? C12 C13 H13A 120.5 . . ? C14 C13 H13A 120.5 . . ? C15 C14 C13 120.1(6) . . ? C15 C14 H14A 120.0 . . ? C13 C14 H14A 120.0 . . ? C14 C15 C16 120.7(6) . . ? C14 C15 H15A 119.6 . . ? C16 C15 H15A 119.6 . . ? C11 C16 C15 119.4(5) . . ? C11 C16 C17 122.9(5) . . ? C15 C16 C17 117.5(5) . . ? N2 C17 C16 126.6(5) . . ? N2 C17 H17A 116.7 . . ? C16 C17 H17A 116.7 . . ? C17 N2 O8 113.4(4) . . ? C17 N2 Cu1 125.8(4) . . ? O8 N2 Cu1 120.7(3) . . ? C19 O9 Cu2 128.4(4) . . ? O9 C19 C24 123.4(6) . . ? O9 C19 C20 117.8(5) . . ? C24 C19 C20 118.8(6) . . ? O10 C20 C21 125.2(6) . . ? O10 C20 C19 113.9(5) . . ? C21 C20 C19 120.8(6) . . ? C20 O10 C26 115.8(5) . . ? O10 C26 H26A 109.5 . . ? O10 C26 H26B 109.5 . . ? H26A C26 H26B 109.5 . . ? O10 C26 H26C 109.5 . . ? H26A C26 H26C 109.5 . . ? H26B C26 H26C 109.5 . . ? C20 C21 C22 119.8(7) . . ? C20 C21 H21A 120.1 . . ? C22 C21 H21A 120.1 . . ? C23 C22 C21 120.1(6) . . ? C23 C22 H22A 119.9 . . ? C21 C22 H22A 119.9 . . ? C22 C23 C24 121.2(7) . . ? C22 C23 H23A 119.4 . . ? C24 C23 H23A 119.4 . . ? C19 C24 C23 119.2(6) . . ? C19 C24 C25 123.5(6) . . ? C23 C24 C25 117.3(6) . . ? N3 C25 C24 125.7(6) . . ? N3 C25 H25A 117.1 . . ? C24 C25 H25A 117.1 . . ? C25 N3 O11 114.9(5) . . ? C25 N3 Cu2 127.2(5) . . ? O11 N3 Cu2 117.4(4) . . ? C27 O12 Cu2 128.7(4) . . ? O12 C27 C28 118.8(5) . . ? O12 C27 C32 122.7(6) . . ? C28 C27 C32 118.5(6) . . ? C29 C28 O13 123.9(6) . . ? C29 C28 C27 121.6(7) . . ? O13 C28 C27 114.5(5) . . ? C28 O13 C34 117.2(5) . . ? O13 C34 H34A 109.5 . . ? O13 C34 H34B 109.5 . . ? H34A C34 H34B 109.5 . . ? O13 C34 H34C 109.5 . . ? H34A C34 H34C 109.5 . . ? H34B C34 H34C 109.5 . . ? C28 C29 C30 119.4(7) . . ? C28 C29 H29A 120.3 . . ? C30 C29 H29A 120.3 . . ? C31 C30 C29 120.4(8) . . ? C31 C30 H30A 119.8 . . ? C29 C30 H30A 119.8 . . ? C30 C31 C32 120.9(8) . . ? C30 C31 H31A 119.6 . . ? C32 C31 H31A 119.6 . . ? C31 C32 C27 119.0(6) . . ? C31 C32 C33 117.1(6) . . ? C27 C32 C33 123.8(6) . . ? N4 C33 C32 125.2(6) . . ? N4 C33 H33A 117.4 . . ? C32 C33 H33A 117.4 . . ? C33 N4 O14 113.3(6) . . ? C33 N4 Cu2 127.0(5) . . ? O14 N4 Cu2 119.4(4) . . ? N4 O14 H14 109.5 . . ? O17 N5 O15 123.4(6) . . ? O17 N5 O16 121.0(5) . . ? O15 N5 O16 115.6(5) . . ? O20 N6 O18 123.3(5) . . ? O20 N6 O19 121.2(5) . . ? O18 N6 O19 115.4(5) . . ? C41 O41 H41 109.5 . . ? O41 C41 H41A 109.5 . . ? O41 C41 H41B 109.5 . . ? H41A C41 H41B 109.5 . . ? O41 C41 H41C 109.5 . . ? H41A C41 H41C 109.5 . . ? H41B C41 H41C 109.5 . . ? C42 O42 H42 109.5 . . ? O42 C42 H42A 109.5 . . ? O42 C42 H42B 109.5 . . ? H42A C42 H42B 109.5 . . ? O42 C42 H42C 109.5 . . ? H42A C42 H42C 109.5 . . ? H42B C42 H42C 109.5 . . ? C43 O43 H43 109.5 . . ? O43 C43 H43A 109.5 . . ? O43 C43 H43B 109.5 . . ? H43A C43 H43B 109.5 . . ? O43 C43 H43C 109.5 . . ? H43A C43 H43C 109.5 . . ? H43B C43 H43C 109.5 . . ? loop_ _geom_hbond_atom_site_label_D _geom_hbond_atom_site_label_H _geom_hbond_atom_site_label_A _geom_hbond_distance_DH _geom_hbond_distance_HA _geom_hbond_distance_DA _geom_hbond_angle_DHA _geom_hbond_site_symmetry_A O1 H1 O41 0.89(4) 1.96(4) 2.829(7) 165(6) . O2 H21 O43 0.90(4) 1.88(4) 2.762(7) 167(7) . O14 H14 O11 0.84 1.62 2.428(8) 160.7 . O41 H41 O42 0.84 1.94 2.771(10) 168.0 . O42 H42 O19 0.84 2.07 2.879(7) 160.4 . O43 H43 O11 0.84 1.97 2.758(8) 154.7 . _refine_diff_density_max 0.767 _refine_diff_density_min -1.457 _refine_diff_density_rms 0.146 _shelxl_version_number 2013-2 _shelx_res_file ; TITL ik878a in Pbca CELL 0.71073 24.8476 14.0945 25.6548 90.000 90.000 90.000 ZERR 4.00 0.0009 0.0004 0.0008 0.000 0.000 0.000 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 N O CU Y UNIT 281.6 355.2 48 184 16 16 TEMP -123 SIZE 0.26 0.21 0.14 EQIV $1 -x+1, -y+1, -z+1 BIND O2 CU2 CONN 9 Y2 Y1 SHEL 11.00 0.79 L.S. 16 ACTA 50.5 BOND $H HTAB O1 O41 HTAB O2 O43 HTAB O14 O11 HTAB O41 O42 HTAB O42 O19 HTAB O43 O11 RTAB Y..Y Y1 Y2 DFIX 0.92 0.04 O1 H1 O2 H21 O2 H22 DFIX 1.98 0.04 H42 O19 DFIX 1.90 0.04 H43 O11 FMAP 2 PLAN 30 WGHT 0.085800 25.075600 FVAR 0.07029 Y1 6 0.593769 0.545224 0.412205 11.00000 0.01866 0.02267 = 0.02081 0.00006 0.00172 -0.00103 Y2 6 0.553100 0.350652 0.335480 11.00000 0.02215 0.02469 = 0.02199 -0.00238 0.00231 -0.00211 CU1 5 0.474543 0.409238 0.471991 11.00000 0.01729 0.02183 = 0.01968 0.00068 0.00072 0.00065 CU2 5 0.443773 0.208160 0.367051 11.00000 0.02464 0.02981 = 0.03449 -0.00078 0.00222 -0.00416 O1 4 0.613217 0.468080 0.338977 11.00000 0.02308 0.02792 = 0.02630 -0.00406 0.00777 -0.00482 H1 2 0.638986 0.481948 0.315985 11.00000 -1.20000 SIMU O2 C2 O2 4 0.416175 0.283130 0.448856 11.00000 0.03319 0.03625 = 0.02916 -0.00499 -0.00101 -0.00725 H21 2 0.381243 0.299716 0.446970 11.00000 -1.20000 PART 1 H22 2 0.420774 0.254857 0.479575 10.80000 -1.20000 PART 2 C2 1 0.423786 0.196759 0.482168 10.20000 0.06595 AFIX 137 H2A 2 0.392015 0.155885 0.479330 10.20000 -1.50000 H2B 2 0.428655 0.216052 0.518563 10.20000 -1.50000 H2C 2 0.455665 0.161886 0.470383 10.20000 -1.50000 AFIX 0 PART 0 O3 4 0.410584 0.474961 0.497850 11.00000 0.02326 0.02418 = 0.01973 -0.00042 -0.00237 0.00070 C3 1 0.371022 0.511882 0.468985 11.00000 0.01642 0.02262 = 0.02687 0.00116 0.00049 0.00272 C4 1 0.322481 0.533659 0.493743 11.00000 0.02030 0.02671 = 0.02870 0.00326 0.00037 -0.00139 O4 4 0.322023 0.513069 0.546551 11.00000 0.02100 0.03273 = 0.02802 -0.00006 0.00390 0.00217 C10 1 0.274818 0.539757 0.575295 11.00000 0.03079 0.05793 = 0.03931 0.01005 0.01327 0.01233 AFIX 137 H10A 2 0.267340 0.607250 0.569651 11.00000 -1.50000 H10B 2 0.280796 0.528253 0.612520 11.00000 -1.50000 H10C 2 0.244092 0.501988 0.563334 11.00000 -1.50000 AFIX 0 C5 1 0.279129 0.568765 0.465962 11.00000 0.01781 0.03531 = 0.03922 0.00354 0.00564 0.00462 AFIX 43 H5A 2 0.245985 0.581120 0.483128 11.00000 -1.20000 AFIX 0 C6 1 0.284286 0.586070 0.412312 11.00000 0.02234 0.04266 = 0.03868 0.00965 -0.00259 0.00738 AFIX 43 H6A 2 0.254663 0.610178 0.393008 11.00000 -1.20000 AFIX 0 C7 1 0.332424 0.567952 0.387847 11.00000 0.02848 0.03632 = 0.02746 0.00608 -0.00193 0.00234 AFIX 43 H7A 2 0.335797 0.580285 0.351589 11.00000 -1.20000 AFIX 0 C8 1 0.377077 0.531283 0.415589 11.00000 0.02100 0.02612 = 0.02645 0.00135 -0.00202 0.00207 C9 1 0.427178 0.521747 0.388069 11.00000 0.02209 0.02393 = 0.02527 0.00271 -0.00033 -0.00116 AFIX 43 H9A 2 0.429347 0.550227 0.354573 11.00000 -1.20000 AFIX 0 N1 3 0.469166 0.478389 0.404547 11.00000 0.01845 0.02091 = 0.01922 -0.00307 0.00383 -0.00047 O5 4 0.513344 0.487204 0.372106 11.00000 0.01782 0.02623 = 0.01970 -0.00081 0.00279 0.00011 O6 4 0.473223 0.369801 0.545009 11.00000 0.01935 0.02316 = 0.02332 0.00155 0.00205 0.00377 C11 1 0.502398 0.301443 0.568353 11.00000 0.02312 0.02153 = 0.02434 0.00408 -0.00158 -0.00023 C12 1 0.486828 0.270823 0.617859 11.00000 0.02309 0.02921 = 0.02669 0.00595 0.00081 0.00182 O7 4 0.442670 0.317890 0.638540 11.00000 0.02794 0.02768 = 0.02311 0.00530 0.00428 0.00288 C18 1 0.423471 0.283567 0.687719 11.00000 0.03927 0.03635 = 0.02638 0.00613 0.00608 -0.00106 AFIX 137 H18A 2 0.411993 0.217384 0.684036 11.00000 -1.50000 H18B 2 0.392909 0.322283 0.699145 11.00000 -1.50000 H18C 2 0.452383 0.287559 0.713609 11.00000 -1.50000 AFIX 0 C13 1 0.515008 0.200680 0.644182 11.00000 0.03879 0.03313 = 0.02931 0.00830 0.00490 0.00420 AFIX 43 H13A 2 0.503748 0.180400 0.677770 11.00000 -1.20000 AFIX 0 C14 1 0.560414 0.160097 0.620454 11.00000 0.03572 0.04160 = 0.03812 0.01796 0.00515 0.01001 AFIX 43 H14A 2 0.580078 0.111904 0.637990 11.00000 -1.20000 AFIX 0 C15 1 0.576595 0.190247 0.571479 11.00000 0.02568 0.04028 = 0.03947 0.01265 0.00270 0.00872 AFIX 43 H15A 2 0.607626 0.163030 0.555847 11.00000 -1.20000 AFIX 0 C16 1 0.547675 0.260488 0.544734 11.00000 0.02584 0.02423 = 0.02784 0.00231 0.00440 0.00307 C17 1 0.569323 0.293261 0.495341 11.00000 0.01742 0.02441 = 0.02752 0.00310 0.00212 0.00430 AFIX 43 H17A 2 0.603616 0.269326 0.485589 11.00000 -1.20000 AFIX 0 N2 3 0.546747 0.351513 0.463387 11.00000 0.02141 0.02184 = 0.02033 -0.00017 0.00382 -0.00423 O8 4 0.579290 0.377234 0.422630 11.00000 0.01975 0.02612 = 0.01963 -0.00148 0.00480 -0.00054 O9 4 0.461753 0.317024 0.323897 11.00000 0.02300 0.03526 = 0.02533 0.00058 -0.00216 -0.00431 C19 1 0.429986 0.364877 0.290933 11.00000 0.02903 0.03181 = 0.02904 -0.00535 -0.00234 0.00233 C20 1 0.454325 0.432997 0.258104 11.00000 0.03552 0.02959 = 0.02655 -0.00575 0.00021 0.00361 O10 4 0.509533 0.436584 0.262219 11.00000 0.03072 0.03379 = 0.02179 -0.00072 0.00118 -0.00510 C26 1 0.535680 0.511372 0.233253 11.00000 0.04641 0.03724 = 0.03743 0.00590 0.00400 -0.00660 AFIX 137 H26A 2 0.529928 0.501395 0.195862 11.00000 -1.50000 H26B 2 0.574355 0.510701 0.240734 11.00000 -1.50000 H26C 2 0.520501 0.572774 0.243506 11.00000 -1.50000 AFIX 0 C21 1 0.423878 0.486038 0.224030 11.00000 0.04599 0.03335 = 0.04197 0.00434 -0.00223 0.00189 AFIX 43 H21A 2 0.440650 0.531685 0.202157 11.00000 -1.20000 AFIX 0 C22 1 0.368060 0.472457 0.221725 11.00000 0.04695 0.05226 = 0.05069 0.00834 -0.01042 0.01543 AFIX 43 H22A 2 0.346850 0.509940 0.198808 11.00000 -1.20000 AFIX 0 C23 1 0.344112 0.405448 0.252359 11.00000 0.03673 0.05573 = 0.04783 0.00381 -0.01086 0.01410 AFIX 43 H23A 2 0.306279 0.396492 0.250273 11.00000 -1.20000 AFIX 0 C24 1 0.374368 0.349525 0.286891 11.00000 0.02865 0.04083 = 0.03059 -0.00935 -0.00455 -0.00034 C25 1 0.345903 0.278334 0.316285 11.00000 0.02533 0.04725 = 0.04093 -0.00246 -0.00117 -0.00483 AFIX 43 H25A 2 0.307829 0.276989 0.312995 11.00000 -1.20000 AFIX 0 N3 3 0.367469 0.216622 0.346501 11.00000 0.02931 0.05091 = 0.03564 -0.00449 0.00534 -0.01134 O11 4 0.331500 0.157615 0.371715 11.00000 0.03239 0.05521 = 0.06157 0.00378 0.00490 -0.01392 O12 4 0.521665 0.211694 0.376396 11.00000 0.02747 0.02587 = 0.03000 0.00294 0.00169 -0.00170 C27 1 0.553960 0.144211 0.393714 11.00000 0.03092 0.03276 = 0.03365 0.00300 0.00278 0.00457 C28 1 0.609469 0.153082 0.385240 11.00000 0.03437 0.03260 = 0.04027 -0.00353 -0.00102 0.00353 O13 4 0.624164 0.231985 0.356834 11.00000 0.02850 0.03045 = 0.03977 -0.00195 0.00178 0.00270 C34 1 0.680701 0.250634 0.351551 11.00000 0.02905 0.04352 = 0.10346 0.01264 -0.00553 -0.00501 AFIX 137 H34A 2 0.697570 0.250682 0.386080 11.00000 -1.50000 H34B 2 0.685908 0.312670 0.335052 11.00000 -1.50000 H34C 2 0.697219 0.201283 0.329914 11.00000 -1.50000 AFIX 0 C29 1 0.645216 0.086763 0.403312 11.00000 0.03773 0.05290 = 0.07652 0.01762 -0.00066 0.01216 AFIX 43 H29A 2 0.682767 0.095127 0.398079 11.00000 -1.20000 AFIX 0 C30 1 0.625784 0.005940 0.429760 11.00000 0.04134 0.07286 = 0.12053 0.04760 0.00770 0.02020 AFIX 43 H30A 2 0.650406 -0.040140 0.442475 11.00000 -1.20000 AFIX 0 C31 1 0.571977 -0.006445 0.437180 11.00000 0.05111 0.05678 = 0.08139 0.02919 0.01173 0.00770 AFIX 43 H31A 2 0.559423 -0.061539 0.454708 11.00000 -1.20000 AFIX 0 C32 1 0.534650 0.061401 0.419195 11.00000 0.04169 0.03545 = 0.04123 0.01018 0.00654 0.00196 C33 1 0.479176 0.042409 0.428277 11.00000 0.04644 0.03284 = 0.05736 0.00824 0.01116 0.00119 AFIX 43 H33A 2 0.470588 -0.008689 0.450947 11.00000 -1.20000 AFIX 0 N4 3 0.439449 0.089295 0.408071 11.00000 0.03646 0.03306 = 0.05426 0.00280 0.00905 -0.00313 O14 4 0.389969 0.054103 0.421851 11.00000 0.03361 0.05092 = 0.10678 0.03045 0.01655 -0.00595 AFIX 147 H14 2 0.366152 0.078698 0.402947 11.00000 -1.50000 AFIX 0 N5 3 0.669122 0.703930 0.409008 11.00000 0.02962 0.03657 = 0.04174 0.00037 0.00059 -0.00955 O15 4 0.635724 0.695176 0.446151 11.00000 0.03377 0.03933 = 0.03368 -0.00508 0.00520 -0.01073 O16 4 0.670129 0.635348 0.376170 11.00000 0.02870 0.03750 = 0.03272 0.00164 0.00668 -0.00237 O17 4 0.698492 0.772348 0.403906 11.00000 0.04696 0.04806 = 0.06466 -0.00098 0.00749 -0.02666 N6 3 0.590640 0.245802 0.244307 11.00000 0.03384 0.03658 = 0.02966 -0.00240 0.00481 0.00023 O18 4 0.547403 0.222120 0.266741 11.00000 0.03434 0.03484 = 0.03363 -0.00677 0.00998 -0.00712 O19 4 0.610769 0.325681 0.258850 11.00000 0.03401 0.03407 = 0.03466 -0.00683 0.00894 -0.00852 O20 4 0.612556 0.197234 0.210584 11.00000 0.05810 0.05037 = 0.04228 -0.01893 0.01978 0.00250 O41 4 0.707360 0.495475 0.278805 11.00000 0.07143 0.08109 = 0.06378 -0.00738 0.03442 -0.01240 AFIX 147 H41 2 0.704484 0.454163 0.255371 11.00000 -1.50000 AFIX 0 C41 1 0.721660 0.584094 0.255883 11.00000 0.05483 0.07824 = 0.05726 0.01244 0.00999 0.00375 AFIX 137 H41A 2 0.700229 0.594231 0.224303 11.00000 -1.50000 H41B 2 0.759979 0.583581 0.246842 11.00000 -1.50000 H41C 2 0.714604 0.635392 0.280748 11.00000 -1.50000 AFIX 0 O42 4 0.712375 0.349642 0.206524 11.00000 0.03910 0.09233 = 0.06356 0.00824 0.01118 -0.01521 AFIX 147 H42 2 0.682399 0.330503 0.217413 11.00000 -1.50000 AFIX 0 C42 1 0.708184 0.373554 0.153069 11.00000 0.05139 0.08770 = 0.05484 0.00215 0.00699 -0.00475 AFIX 137 H42A 2 0.679328 0.420162 0.148336 11.00000 -1.50000 H42B 2 0.699995 0.316405 0.132807 11.00000 -1.50000 H42C 2 0.742329 0.400643 0.141068 11.00000 -1.50000 AFIX 0 O43 4 0.306324 0.305313 0.437862 11.00000 0.04656 0.06563 = 0.06178 -0.01257 0.00541 -0.00850 AFIX 147 H43 2 0.305687 0.252830 0.422361 11.00000 -1.50000 AFIX 0 C43 1 0.262576 0.310516 0.473074 11.00000 0.04890 0.05957 = 0.05425 -0.01087 0.00657 -0.00532 AFIX 137 H43A 2 0.267697 0.264066 0.501063 11.00000 -1.50000 H43B 2 0.229008 0.296667 0.454519 11.00000 -1.50000 H43C 2 0.260731 0.374419 0.488023 11.00000 -1.50000 AFIX 0 HKLF 4 REM ik878a in Pbca REM R1 = 0.0642 for 8011 Fo > 4sig(Fo) and 0.0785 for all 9539 data REM 638 parameters refined using 11 restraints END WGHT 0.0858 25.7583 REM Highest difference peak 0.767, deepest hole -1.457, 1-sigma level 0.146 Q1 1 0.6793 0.5294 0.2502 11.00000 0.05 0.77 Q2 1 0.5098 0.3233 0.3700 11.00000 0.05 0.51 Q3 1 0.4983 0.4414 0.5189 11.00000 0.05 0.50 Q4 1 0.4904 0.2356 0.3398 11.00000 0.05 0.48 Q5 1 0.5235 0.4826 0.4620 11.00000 0.05 0.46 Q6 1 0.4920 0.4620 0.5565 11.00000 0.05 0.44 Q7 1 0.5511 0.4136 0.3782 11.00000 0.05 0.44 Q8 1 0.4874 0.3330 0.5481 11.00000 0.05 0.42 Q9 1 0.5606 0.4644 0.4022 11.00000 0.05 0.40 Q10 1 0.5225 0.4498 0.4372 11.00000 0.05 0.40 Q11 1 0.4790 0.4800 0.4302 11.00000 0.05 0.39 Q12 1 0.4934 0.4213 0.4178 11.00000 0.05 0.39 Q13 1 0.4071 0.4627 0.5268 11.00000 0.05 0.38 Q14 1 0.5058 0.3542 0.2977 11.00000 0.05 0.38 Q15 1 0.6256 0.3377 0.3904 11.00000 0.05 0.38 Q16 1 0.5099 0.5867 0.1700 11.00000 0.05 0.37 Q17 1 0.5191 0.3579 0.4092 11.00000 0.05 0.37 Q18 1 0.5070 0.4768 0.5095 11.00000 0.05 0.37 Q19 1 0.5222 0.3054 0.4172 11.00000 0.05 0.37 Q20 1 0.6227 0.4583 0.4312 11.00000 0.05 0.37 Q21 1 0.4622 0.1383 0.7093 11.00000 0.05 0.36 Q22 1 0.4203 0.3961 0.5044 11.00000 0.05 0.36 Q23 1 0.4767 0.3596 0.3842 11.00000 0.05 0.36 Q24 1 0.4980 0.2568 0.4341 11.00000 0.05 0.36 Q25 1 0.5000 0.5000 0.5000 10.50000 0.05 0.36 Q26 1 0.4878 0.5048 0.4547 11.00000 0.05 0.36 Q27 1 0.6697 0.1809 0.4462 11.00000 0.05 0.36 Q28 1 0.4994 0.4184 0.5951 11.00000 0.05 0.35 Q29 1 0.4905 0.1594 0.3487 11.00000 0.05 0.35 Q30 1 0.4865 0.3134 0.4898 11.00000 0.05 0.35 ; _shelx_res_checksum 48773 _shelx_hkl_file ; -2 -18 5 5.41 4.05 -1 -18 4 5.99 3.95 2 -18 2 6.21 4.02 4 -18 1 4.83 4.07 -7 -17 9 3.55 3.93 -1 -17 3 8.22 2.81 0 -17 2 5.13 3.96 5 -17 -1 1.53 5.06 8 -17 -2 2.69 4.13 11 -17 -3 -1.61 5.40 -10 -16 12 2.59 3.72 -9 -16 10 3.43 3.80 -8 -16 9 -1.60 2.61 -6 -16 6 -0.16 3.91 -5 -16 5 5.71 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313.46 4.66 0 4 -12 -2.00 3.98 0 4 -13 645.51 4.86 0 4 -14 234.19 4.15 0 4 -15 84.78 3.76 0 4 -16 146.41 3.71 -24 5 17 1.85 5.53 -6 5 -31 6.78 3.74 -5 5 -29 -0.17 3.58 -4 5 -27 18.92 2.47 -3 5 -2 3.63 2.80 -3 5 -25 -2.01 3.45 -2 5 -5 40.01 4.16 -2 5 -21 7.08 2.39 -2 5 -22 8.85 3.53 -1 5 -10 376.27 4.67 -1 5 -11 489.90 4.77 -1 5 -12 88.66 2.87 -1 5 -13 8.26 2.68 -1 5 -14 259.59 3.11 -1 5 -15 2.14 2.55 -1 5 -16 31.86 3.63 -1 5 -17 63.28 3.79 -21 6 15 26.62 5.62 -17 6 13 39.16 6.35 -7 6 -30 3.75 2.66 -6 6 -29 4.47 3.64 -5 6 -27 5.12 3.61 -4 6 -2 94.37 4.34 -4 6 -24 3.77 2.54 -4 6 -25 22.57 3.47 -3 6 -5 65.54 3.99 -3 6 -21 18.76 2.65 -3 6 -22 0.61 3.57 -2 6 -11 4.28 3.72 -2 6 -12 141.15 3.78 -2 6 -13 6.05 3.66 -2 6 -14 4.35 3.81 -2 6 -15 30.05 3.71 -2 6 -16 12.45 3.66 -2 6 -17 37.36 3.75 -22 7 14 0.20 6.06 -11 7 7 20.87 7.05 -8 7 3 53.98 4.02 -7 7 -28 8.83 3.65 -6 7 -26 4.69 3.57 -5 7 -3 5.04 3.77 -5 7 -23 37.70 2.71 -5 7 -24 40.13 3.72 -4 7 -6 135.64 4.02 -4 7 -20 10.64 2.66 -4 7 -21 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23.51 3.44 4 -4 -20 -0.11 4.07 -23 -3 19 -1.42 3.77 -22 -3 19 7.60 3.76 -19 -3 18 10.92 3.75 -17 -3 17 25.87 3.64 -15 -3 16 15.19 3.69 -13 -3 15 14.54 3.72 -10 -3 13 11.62 3.66 -3 -3 6 88.68 3.25 0 -3 1 0.76 5.14 1 -3 -31 5.66 3.55 2 -3 -29 4.42 4.24 3 -3 -25 26.24 3.46 4 -3 -12 81.74 4.88 4 -3 -13 9.65 3.63 4 -3 -19 41.71 3.52 4 -3 -20 13.39 4.21 -23 -2 19 -0.74 3.69 -22 -2 19 24.31 2.79 -19 -2 18 8.34 2.67 -17 -2 17 2.68 3.64 -15 -2 16 4.93 3.64 -13 -2 15 240.93 4.17 -10 -2 13 315.60 3.50 -9 -2 12 11.09 3.56 -4 -2 7 61.05 4.17 0 -2 -33 -0.75 3.57 1 -2 -31 -0.40 3.47 2 -2 -28 6.85 3.43 3 -2 -7 174.14 6.05 3 -2 -25 18.94 3.59 4 -2 -13 131.61 4.87 4 -2 -14 7.44 3.46 4 -2 -15 72.08 3.59 4 -2 -17 3.67 3.49 4 -2 -18 4.26 3.28 4 -2 -19 7.87 3.40 -24 -1 19 5.95 3.84 -23 -1 19 0.93 3.79 -20 -1 18 32.95 3.79 -17 -1 17 111.37 4.07 -15 -1 16 13.36 3.75 -12 -1 14 112.85 3.87 -9 -1 12 20.56 2.74 -8 -1 11 4.73 3.77 -7 -1 10 12.41 3.90 -6 -1 9 27.34 4.09 -5 -1 8 0.41 3.91 -2 -1 4 62.31 5.77 0 -1 -33 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-14 73.34 3.77 4 -1 -18 280.61 4.07 4 -1 -19 10.08 3.44 4 -1 -20 4.03 3.44 -26 0 19 -0.39 3.88 -22 0 18 5.88 3.82 0 0 -33 -1.00 3.51 1 0 -31 0.64 3.49 2 0 -28 25.90 3.45 3 0 -24 -1.98 3.44 -23 1 18 6.10 3.78 -20 1 17 5.72 4.66 -17 1 16 1.06 3.90 -15 1 15 45.51 3.90 -8 1 10 5.37 4.04 -6 1 8 256.85 5.83 0 1 -32 4.65 3.60 1 1 -3 26.99 5.86 1 1 -30 5.30 3.51 2 1 -6 21.57 4.63 2 1 -27 68.54 3.50 3 1 -10 45.93 3.88 3 1 -23 20.28 3.42 -26 2 18 7.20 4.88 -25 2 18 1.89 3.85 -21 2 17 2.97 3.75 -18 2 16 15.37 3.79 -16 2 15 1.63 3.69 -14 2 14 5.99 3.73 -11 2 12 1.79 3.87 -4 2 5 18.43 6.34 -1 2 -33 8.63 3.52 0 2 -31 1.70 3.60 1 2 -29 2.27 3.39 2 2 -25 7.98 3.53 2 2 -26 2.17 3.39 3 2 -13 143.40 3.93 3 2 -14 3.54 3.46 3 2 -18 16.34 2.48 3 2 -19 41.43 3.50 3 2 -20 87.01 3.56 3 2 -21 52.00 3.65 -23 3 17 11.83 3.98 -20 3 16 7.84 4.75 -12 3 12 12.10 4.77 0 3 -3 2.82 4.82 1 3 -27 1.57 3.42 2 3 -10 31.69 3.99 2 3 -23 19.62 3.55 2 3 -24 7.81 3.51 -22 4 16 1.20 4.67 -19 4 15 18.55 4.64 0 4 -28 -1.26 3.43 1 4 -8 82.43 4.24 1 4 -25 7.74 3.35 2 4 -14 127.53 3.82 2 4 -15 9.25 3.50 2 4 -16 270.97 3.95 2 4 -17 109.47 3.68 2 4 -18 12.53 3.46 2 4 -19 13.06 3.37 2 4 -20 14.81 3.56 -25 5 16 3.40 4.81 -21 5 15 3.53 4.66 -13 5 11 3.62 5.79 -1 5 -4 21.90 3.99 -1 5 -29 13.83 3.58 0 5 -7 -0.64 4.03 0 5 -26 2.96 3.57 1 5 -11 471.18 4.68 1 5 -12 94.02 3.80 1 5 -13 9.33 2.63 1 5 -20 21.70 2.42 1 5 -21 44.03 3.49 1 5 -22 69.52 3.50 -21 6 14 15.59 5.59 -5 6 2 134.48 5.53 -3 6 -31 -0.44 3.62 -2 6 -4 454.23 4.90 -2 6 -29 24.94 3.57 -1 6 -7 61.33 2.95 -1 6 -26 -2.10 3.55 -1 6 -27 13.25 3.48 0 6 -10 9.93 3.74 0 6 -11 5.57 3.64 0 6 -21 114.30 2.71 0 6 -23 47.85 3.44 -25 7 14 8.95 6.16 -7 7 3 70.50 4.06 -5 7 0 -1.18 4.12 -3 7 -4 16.30 3.73 -2 7 -7 155.00 3.00 -2 7 -26 4.59 3.41 -2 7 -27 2.84 3.51 -1 7 -10 3.92 3.63 -1 7 -11 37.92 3.66 -1 7 -21 16.84 2.58 -1 7 -22 11.55 3.46 -1 7 -23 67.40 3.54 -5 8 -2 39.48 3.89 -4 8 -28 13.90 3.64 -4 8 -29 2.75 3.50 -3 8 -7 8.74 3.57 -3 8 -25 5.50 2.43 -2 8 -11 80.34 3.72 -2 8 -12 13.53 3.68 -2 8 -20 3.91 2.49 -2 8 -21 0.68 3.48 -2 8 -22 10.70 3.47 -13 9 6 27.54 5.58 -12 9 5 26.75 4.84 -11 9 4 2.68 4.59 -10 9 3 2.66 4.58 -7 9 -1 104.35 4.07 -6 9 -3 13.12 3.61 -5 9 -5 40.49 3.88 -5 9 -27 9.13 2.53 -5 9 -28 -2.67 3.52 -4 9 -8 43.74 3.56 -4 9 -24 7.70 2.55 -4 9 -25 -4.28 3.53 -3 9 -12 25.19 3.58 -3 9 -13 5.57 3.43 -3 9 -14 15.00 3.48 -3 9 -15 1.54 2.66 -3 9 -16 3.87 2.49 -3 9 -17 34.89 2.56 -3 9 -18 5.15 3.59 -3 9 -19 3.32 3.49 -3 9 -20 23.30 3.66 -3 9 -21 3.93 3.66 -14 10 5 46.90 5.63 -13 10 4 174.37 5.41 -12 10 3 0.07 4.65 -11 10 2 2.00 4.61 -7 10 -4 64.95 3.92 -6 10 -7 30.92 3.76 -6 10 -27 -5.61 3.71 -5 10 -10 8.93 3.66 -5 10 -22 42.28 2.69 -5 10 -23 -0.74 3.63 -5 10 -24 -5.26 3.55 -4 10 -16 20.17 3.54 -17 11 5 75.40 5.17 -10 11 -2 16.24 3.82 -9 11 -4 22.95 3.89 -8 11 -6 -1.04 3.45 -7 11 -8 8.40 3.69 -7 11 -9 31.69 3.78 -7 11 -23 -0.34 2.60 -7 11 -24 9.75 3.56 -6 11 -12 3.00 3.72 -6 11 -13 9.86 3.71 -6 11 -14 -5.82 3.73 -6 11 -15 7.85 3.70 -6 11 -16 22.68 3.60 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1 4 -29 5.81 3.52 2 4 -10 29.33 2.87 2 4 -25 29.13 2.47 2 4 -26 -4.21 3.39 3 4 -16 72.05 3.53 3 4 -17 195.04 3.92 3 4 -18 2.64 3.39 3 4 -19 45.28 3.52 3 4 -20 28.96 3.48 -23 5 15 4.42 4.73 -17 5 13 8.64 4.57 -15 5 12 1.89 4.84 -2 5 -1 39.92 4.17 -1 5 -3 2.24 2.79 -1 5 -32 3.76 2.47 0 5 -5 1.66 3.97 0 5 -30 -2.33 3.53 1 5 -8 43.47 4.11 1 5 -27 6.78 3.47 2 5 -13 0.33 3.64 2 5 -14 5.13 2.46 2 5 -21 6.63 2.33 2 5 -22 17.87 3.55 2 5 -23 3.22 3.35 -22 6 14 13.70 4.79 -19 6 13 33.42 5.63 -4 6 1 31.37 4.32 -1 6 -30 -2.11 2.43 -1 6 -31 -6.73 3.55 0 6 -27 3.42 2.35 0 6 -28 1.67 3.56 1 6 -11 117.48 3.87 1 6 -12 0.47 2.46 1 6 -23 7.04 2.35 1 6 -24 4.02 3.40 -22 7 13 35.03 5.73 -19 7 12 0.72 6.08 -15 7 10 -0.05 8.04 -5 7 1 1.95 4.77 -2 7 -30 5.02 2.56 -1 7 -7 367.46 4.58 -1 7 -28 -1.89 3.61 0 7 -11 -0.45 3.59 0 7 -24 -2.12 3.42 0 7 -25 -2.07 3.35 -7 8 2 168.17 5.22 -5 8 -1 2.39 3.71 -3 8 -5 288.05 4.29 -2 8 -7 24.24 3.64 -2 8 -27 10.02 2.58 -1 8 -11 23.79 3.56 -1 8 -23 12.32 2.54 -1 8 -24 7.09 3.44 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3.90 -27 1 15 21.02 4.07 -26 1 15 8.48 3.88 -21 1 14 7.40 4.59 -20 1 14 11.91 3.91 -17 1 13 12.81 3.90 5 1 -31 3.73 2.40 5 1 -32 4.32 3.54 6 1 -15 15.48 3.50 6 1 -27 4.98 3.37 6 1 -28 16.05 3.43 -21 2 14 22.67 3.84 -15 2 12 13.71 4.62 -11 2 10 96.95 4.14 -8 2 8 2.96 5.18 4 2 -8 15.50 3.95 5 2 -11 36.68 3.70 5 2 -31 17.40 3.55 6 2 -16 66.07 3.76 6 2 -26 3.98 3.43 6 2 -27 14.88 3.45 -22 3 14 -0.41 3.88 -18 3 13 16.70 3.86 2 3 -4 390.28 5.82 3 3 -6 91.97 4.44 5 3 -12 25.28 3.61 5 3 -30 22.88 3.54 6 3 -17 27.41 3.45 6 3 -18 -3.36 3.40 6 3 -19 3.58 2.44 6 3 -20 6.03 2.54 6 3 -22 34.02 2.60 6 3 -23 32.23 2.53 6 3 -24 40.92 3.58 6 3 -25 80.88 3.61 -25 4 14 10.05 4.74 -24 4 14 8.30 3.78 -14 4 11 109.75 5.16 -9 4 8 69.99 6.40 1 4 -3 18.83 3.09 3 4 -7 25.09 4.05 4 4 -32 -1.00 2.55 5 4 -13 -2.02 3.61 5 4 -28 1.57 2.53 -21 5 13 8.29 4.84 -13 5 10 5.24 5.24 0 5 -2 -2.64 4.03 3 5 -8 266.62 4.54 4 5 -11 49.46 3.80 5 5 -15 104.38 3.70 5 5 -16 13.36 2.51 5 5 -26 37.09 3.60 5 5 -27 1.84 3.46 -25 6 13 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138.55 4.32 -10 1 8 50.85 4.38 5 1 -7 12.55 2.89 6 1 -9 21.65 3.81 9 1 -19 123.73 3.75 9 1 -20 2.21 3.50 9 1 -28 33.67 3.54 9 1 -29 4.33 3.45 9 1 -30 -0.89 3.54 -18 2 11 238.80 4.61 -12 2 9 2.56 3.72 -8 2 7 276.78 5.68 2 2 -2 86.36 5.93 4 2 -5 18.47 3.23 7 2 -11 68.34 3.81 8 2 -14 6.38 3.70 9 2 -18 7.97 3.38 9 2 -19 35.63 3.44 9 2 -29 6.26 3.50 9 2 -30 20.19 3.63 9 2 -31 -0.78 4.28 -18 3 11 0.35 3.73 -12 3 9 19.10 4.83 -8 3 7 13.55 4.97 2 3 -2 16.43 5.14 4 3 -5 73.30 3.31 7 3 -11 0.15 3.63 8 3 -14 72.93 3.62 9 3 -18 130.67 3.76 9 3 -19 30.64 3.49 9 3 -29 1.15 3.50 9 3 -30 1.82 3.54 9 3 -31 4.73 3.58 -15 4 10 16.08 4.80 -10 4 8 7.38 4.77 4 4 -5 252.57 4.68 5 4 -7 109.10 3.21 6 4 -9 12.23 3.94 7 4 -11 147.10 3.99 8 4 -14 3.21 3.46 9 4 -19 -2.02 3.54 9 4 -20 15.92 3.51 9 4 -28 5.21 3.48 9 4 -29 16.55 3.55 9 4 -30 -0.49 3.52 0 5 0 -0.49 4.10 3 5 -4 283.49 3.76 7 5 -12 12.98 3.46 8 5 -15 11.66 3.47 9 5 -20 206.72 3.94 9 5 -21 17.89 3.60 9 5 -22 7.04 3.46 9 5 -23 6.39 2.46 9 5 -24 25.71 2.55 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3.34 6 -8 -17 15.28 3.38 6 -8 -18 48.23 3.51 6 -8 -19 19.70 3.37 6 -8 -20 -2.75 3.19 6 -8 -21 6.33 3.21 6 -8 -22 41.78 3.55 -20 -7 17 11.41 3.92 -17 -7 16 5.09 3.78 -11 -7 13 57.94 4.02 -8 -7 11 2.41 4.88 4 -7 -5 32.21 3.79 4 -7 -30 2.24 2.40 5 -7 -8 391.28 4.51 5 -7 -27 0.99 2.43 5 -7 -28 10.84 3.52 6 -7 -13 187.17 3.78 6 -7 -14 12.49 3.38 6 -7 -15 17.36 2.35 6 -7 -20 2.45 2.46 6 -7 -21 3.44 2.42 6 -7 -22 6.76 3.26 6 -7 -23 89.69 3.62 -25 -6 18 3.99 3.97 -24 -6 18 5.51 2.83 -20 -6 17 5.69 3.80 -17 -6 16 15.60 3.82 4 -6 -5 78.64 3.82 4 -6 -31 15.68 3.39 5 -6 -8 409.38 4.45 5 -6 -27 0.85 2.46 5 -6 -28 28.33 3.41 6 -6 -13 3.35 3.46 6 -6 -14 19.21 2.55 6 -6 -21 100.24 2.74 6 -6 -22 61.86 2.59 6 -6 -23 3.05 3.49 6 -6 -24 2.68 3.47 -25 -5 18 -5.21 3.91 -24 -5 18 1.77 2.80 -20 -5 17 12.00 3.81 -17 -5 16 67.87 3.95 4 -5 -5 202.24 4.26 4 -5 -31 -2.09 3.26 5 -5 -8 357.86 4.53 5 -5 -27 6.67 2.42 5 -5 -28 -0.91 3.38 6 -5 -13 69.11 3.59 6 -5 -14 24.22 2.65 6 -5 -21 87.75 2.60 6 -5 -22 100.48 3.62 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3.73 5.43 -5 9 -19 18.04 5.49 -26 10 4 4.93 3.97 -25 10 4 -1.36 4.06 -22 10 3 -3.91 3.92 -20 10 2 22.03 4.06 -19 10 2 26.68 2.93 -18 10 1 -0.56 3.87 -16 10 0 19.35 3.92 -15 10 -1 20.15 3.84 -14 10 -2 3.81 4.09 -13 10 -3 46.58 4.00 -8 10 -13 7.12 9.11 -25 11 1 -1.47 4.04 -24 11 1 13.18 4.08 -22 11 0 23.79 4.11 -21 11 0 -3.76 4.02 -19 11 -1 25.28 4.06 -18 11 -2 8.14 3.98 -14 11 -6 60.88 5.00 -12 11 -9 5.71 4.71 -23 12 -3 15.48 4.19 -22 12 -3 2.03 4.15 -21 12 -4 0.50 4.05 -19 12 -5 0.47 4.02 -18 12 -6 17.01 4.07 -17 12 -7 3.00 3.94 -15 12 -10 3.08 4.76 -20 13 -10 3.07 4.18 -19 13 -12 3.39 4.95 -18 13 -14 0.58 4.64 -5 -18 -3 16.48 4.76 -7 -17 2 3.63 7.24 -4 -17 -2 10.72 5.32 -3 -17 -4 3.43 3.62 -2 -17 -6 15.68 3.83 -1 -17 -8 27.39 4.52 -1 -17 -9 19.90 3.74 0 -17 -12 -0.62 3.58 -13 -16 8 27.19 6.59 -4 -16 0 2.28 5.28 0 -16 -8 6.90 3.56 1 -16 -11 8.02 3.60 1 -16 -12 -1.46 3.55 -1 -15 -3 1.02 4.32 0 -15 -5 1.81 4.30 1 -15 -8 32.63 3.64 2 -15 -11 -3.04 3.44 2 -15 -12 33.37 3.62 -11 -14 9 2.45 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33.93 3.02 5 -1 -24 0.41 2.49 5 -1 -25 24.46 3.53 -28 0 16 10.87 3.86 -26 0 16 38.54 4.03 -25 0 16 6.35 3.89 -24 0 16 0.62 2.69 -19 0 15 4.79 2.66 -17 0 14 241.72 4.25 -14 0 13 -0.68 2.71 -11 0 11 5.47 3.95 -8 0 9 2.25 4.20 2 0 -33 1.91 3.59 3 0 -30 23.96 2.66 3 0 -31 -0.35 3.59 4 0 -27 -0.33 2.41 4 0 -28 7.30 3.42 5 0 -15 -0.49 3.51 5 0 -16 79.19 2.66 5 0 -17 -2.20 2.42 5 0 -18 5.33 2.40 5 0 -19 -1.67 2.42 5 0 -20 155.19 2.93 5 0 -22 14.62 3.53 5 0 -23 2.70 3.52 -24 1 15 18.41 3.90 -23 1 15 -0.11 3.78 -22 1 15 20.93 2.79 -19 1 14 3.09 3.96 -18 1 14 8.36 2.79 -16 1 13 27.73 3.82 -14 1 12 92.99 4.07 -12 1 11 37.79 4.04 -9 1 9 166.12 4.75 1 1 -3 28.86 7.39 2 1 -31 1.31 2.52 2 1 -32 6.83 3.61 3 1 -8 7.21 4.14 3 1 -28 40.25 2.69 3 1 -29 11.68 3.54 4 1 -12 406.17 4.62 4 1 -24 20.55 2.50 4 1 -25 96.29 3.68 -28 2 15 0.27 2.78 -27 2 15 23.83 2.88 -26 2 15 -4.12 2.77 -22 2 14 11.75 3.91 -21 2 14 22.95 3.99 -18 2 13 41.27 3.87 -15 2 12 11.79 2.89 -13 2 11 31.39 2.90 -10 2 9 92.57 3.19 1 2 -32 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3.53 3.97 -14 -3 13 36.29 4.12 -10 -3 11 17.93 4.16 5 -3 -7 29.75 3.00 6 -3 -10 42.66 4.19 6 -3 -29 10.70 2.53 6 -3 -30 3.73 3.55 7 -3 -14 7.39 3.66 7 -3 -15 57.21 3.69 7 -3 -16 21.09 2.70 7 -3 -24 5.75 2.46 7 -3 -25 12.81 3.42 -22 -2 15 27.20 3.97 -21 -2 15 18.31 3.97 -17 -2 14 8.93 3.69 -9 -2 10 14.41 3.98 -6 -2 8 101.62 3.31 -5 -2 7 27.26 4.33 5 -2 -8 0.45 2.88 5 -2 -32 10.69 3.52 6 -2 -11 58.72 4.07 6 -2 -28 6.19 3.52 6 -2 -29 8.78 3.38 7 -2 -17 18.72 3.67 7 -2 -18 64.49 3.66 7 -2 -19 72.85 3.55 7 -2 -20 -0.56 3.36 7 -2 -21 3.69 3.41 7 -2 -22 9.05 3.44 7 -2 -23 66.69 3.53 -28 -1 15 -3.28 4.00 -27 -1 15 23.04 4.03 -26 -1 15 15.32 4.02 -25 -1 15 13.21 3.92 -24 -1 15 24.71 3.84 -23 -1 15 -2.43 2.71 -19 -1 14 -0.13 3.80 -16 -1 13 25.36 3.92 -13 -1 12 3.44 2.64 -8 -1 9 202.44 3.49 5 -1 -9 2.79 4.05 5 -1 -30 5.18 2.64 5 -1 -31 6.75 3.58 6 -1 -13 212.73 4.23 6 -1 -26 37.03 3.57 6 -1 -27 7.86 3.58 -22 0 14 -3.35 3.85 -21 0 14 97.61 4.06 -17 0 13 -1.01 3.79 -15 0 12 11.74 3.99 -9 0 9 0.55 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4.43 3.81 2 5 -24 44.97 4.62 -29 6 8 13.97 3.90 -28 6 8 -3.59 4.03 -27 6 8 10.02 3.87 -24 6 8 14.77 3.90 -23 6 8 14.04 3.93 -22 6 8 -2.45 2.80 -19 6 7 36.13 3.97 -14 6 5 52.56 3.92 -11 6 3 9.58 4.22 -5 6 -3 53.95 5.51 -1 6 -10 1.02 6.22 -1 6 -30 3.75 3.75 0 6 -27 1.35 3.88 -22 7 6 8.03 4.13 -21 7 6 24.56 3.98 -18 7 5 0.98 4.01 -14 7 3 80.89 4.15 -12 7 2 11.23 4.14 -11 7 1 127.56 4.41 -2 7 -29 3.73 4.69 -1 7 -16 174.03 5.35 -1 7 -24 -0.75 3.76 -1 7 -25 17.10 4.64 -28 8 5 37.83 4.20 -27 8 5 -1.45 4.18 -26 8 5 41.33 4.11 -25 8 5 4.89 3.89 -24 8 5 25.78 2.92 -21 8 4 -4.17 4.05 -20 8 4 5.28 3.97 -18 8 3 91.28 4.16 -17 8 3 16.79 2.85 -14 8 1 27.45 4.14 -11 8 -1 76.58 4.10 -10 8 -2 5.61 4.13 -4 8 -29 -2.61 3.85 -3 8 -26 4.18 4.67 -27 9 3 24.92 4.21 -26 9 3 4.69 4.11 -25 9 3 6.90 4.06 -21 9 2 1.43 3.97 -20 9 2 2.20 2.75 -18 9 1 11.49 3.91 -16 9 0 115.60 4.22 -13 9 -2 0.64 4.09 -12 9 -3 64.00 4.28 -11 9 -4 4.30 4.85 -10 9 -5 7.06 4.02 -5 9 -26 14.16 4.78 -24 10 0 6.14 4.06 -23 10 0 0.59 4.10 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26.79 2.79 -15 -1 11 52.73 4.13 -12 -1 10 25.68 2.85 -10 -1 9 0.28 2.88 -3 -1 4 0.63 5.68 -1 -1 2 721.15 12.64 4 -1 -5 118.11 4.11 5 -1 -7 13.77 3.06 6 -1 -9 28.27 4.24 7 -1 -12 80.57 4.18 7 -1 -31 1.21 2.49 7 -1 -32 23.58 3.63 8 -1 -16 15.44 3.64 8 -1 -17 28.12 3.70 8 -1 -18 66.97 2.68 8 -1 -26 4.43 2.59 8 -1 -27 6.02 3.59 8 -1 -28 19.72 3.58 -30 0 12 2.29 2.84 -29 0 12 -0.49 2.77 -28 0 12 6.43 4.13 -27 0 12 8.47 3.94 -26 0 12 -3.04 3.88 -25 0 12 35.34 3.94 -24 0 12 20.80 3.95 -23 0 12 29.05 3.88 -22 0 12 160.60 3.28 -21 0 12 23.62 2.76 -17 0 11 4.85 3.89 -14 0 10 5.46 3.96 -8 0 7 -0.35 4.40 -5 0 5 1.15 3.53 6 0 -11 2.03 4.08 7 0 -14 49.57 3.71 7 0 -15 -0.78 2.49 7 0 -29 3.11 3.54 7 0 -30 16.44 3.59 -30 1 11 13.90 4.02 -29 1 11 0.78 4.08 -28 1 11 14.04 4.05 -22 1 11 10.22 3.82 -21 1 11 86.52 4.17 -20 1 11 0.01 3.96 -16 1 10 29.65 4.23 -13 1 9 63.72 3.12 -11 1 8 13.89 4.32 -9 1 7 144.43 3.66 -5 1 4 3.99 5.37 2 1 -4 61.21 6.02 5 1 -10 3.60 3.89 6 1 -13 212.51 4.23 6 1 -30 -0.49 2.56 6 1 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14.83 3.91 0 7 -18 2.20 4.69 0 7 -25 -2.24 3.81 0 7 -26 1.08 3.79 0 7 -27 3.46 4.63 -27 8 2 6.88 4.11 -22 8 2 7.17 3.97 -21 8 2 14.42 3.94 -20 8 2 3.42 2.80 -18 8 1 165.41 4.44 -17 8 1 44.27 4.23 -15 8 0 2.09 3.87 -13 8 -1 32.21 4.20 -6 8 -8 4.52 6.30 -2 8 -17 2.21 4.86 -2 8 -27 10.22 3.87 -27 9 0 5.81 4.16 -26 9 0 12.93 4.11 -25 9 0 2.21 4.09 -24 9 0 12.81 4.10 -23 9 0 1.98 4.07 -22 9 0 31.51 4.12 -21 9 0 4.14 3.94 -19 9 -1 55.45 4.17 -18 9 -1 15.56 4.06 -16 9 -2 13.27 4.04 -14 9 -3 32.77 4.21 -4 9 -17 102.15 7.41 -4 9 -26 4.27 3.90 -4 9 -27 7.43 4.78 -26 10 -2 -1.41 2.89 -25 10 -2 29.03 3.11 -21 10 -3 4.37 4.05 -20 10 -3 1.29 3.96 -18 10 -4 15.55 4.01 -16 10 -5 15.93 5.08 -14 10 -6 18.91 4.08 -13 10 -7 4.02 5.00 -12 10 -8 36.02 4.96 -11 10 -9 2.55 4.93 -9 10 -12 7.20 6.46 -8 10 -14 54.62 9.02 -6 10 -20 0.16 6.88 -6 10 -21 0.06 6.38 -6 10 -22 2.82 5.61 -6 10 -23 6.65 5.80 -6 10 -24 16.62 5.69 -22 11 -6 5.30 4.31 -21 11 -6 -1.02 4.13 -19 11 -7 14.61 3.95 -17 11 -8 5.44 4.91 -12 11 -13 14.74 5.80 -11 11 -15 -0.84 6.91 -9 11 -24 4.58 7.36 -22 12 -10 3.91 4.22 -21 12 -11 4.28 5.02 -20 12 -11 3.34 4.25 -19 12 -12 5.55 5.14 -15 12 -16 17.57 5.94 -14 12 -19 -0.29 6.98 -2 -18 -4 1.75 4.74 -5 -17 1 2.51 6.93 -3 -17 -1 0.93 5.67 0 -17 -5 -3.17 3.68 3 -17 -11 1.68 3.72 -13 -16 7 43.07 6.35 -11 -16 6 23.71 7.32 0 -16 -3 12.05 4.48 3 -16 -8 -0.91 3.76 5 -16 -14 12.12 3.68 -16 -15 9 1.48 5.11 -13 -15 8 7.02 5.01 -11 -15 7 3.11 6.30 1 -15 -3 0.23 4.38 4 -15 -8 5.57 4.55 5 -15 -11 3.84 3.56 6 -15 -14 7.61 3.63 -17 -14 10 -0.19 4.98 2 -14 -3 65.05 4.54 5 -14 -9 10.39 3.59 6 -14 -11 8.76 3.63 7 -14 -15 8.19 3.53 -18 -13 11 2.76 5.05 -14 -13 10 7.03 3.93 -8 -13 7 11.60 6.49 2 -13 -2 0.22 4.37 4 -13 -5 92.67 4.74 5 -13 -7 5.40 3.66 7 -13 -12 4.38 3.46 8 -13 -16 33.57 3.62 8 -13 -17 3.42 3.54 8 -13 -18 9.59 2.58 -21 -12 12 3.98 4.97 -20 -12 12 0.67 4.02 2 -12 -1 12.93 4.42 4 -12 -4 7.26 4.44 5 -12 -6 88.55 3.86 6 -12 -8 3.61 3.56 7 -12 -11 5.64 2.48 8 -12 -14 4.94 3.37 9 -12 -19 5.21 3.57 9 -12 -20 14.20 3.56 9 -12 -21 7.22 3.60 -18 -11 12 4.54 4.83 -17 -11 12 4.17 3.86 -14 -11 11 30.74 3.97 0 -11 2 0.14 5.43 5 -11 -5 29.59 3.62 6 -11 -7 210.07 4.25 7 -11 -9 31.06 3.58 8 -11 -12 12.88 3.53 9 -11 -16 32.97 3.56 9 -11 -17 6.09 3.41 9 -11 -18 5.21 2.49 -22 -10 13 -7.33 4.02 -21 -10 13 5.15 3.98 -20 -10 13 -0.15 2.75 -16 -10 12 5.79 4.02 -13 -10 11 1.31 3.97 -7 -10 8 324.59 7.15 6 -10 -6 39.34 3.72 8 -10 -11 -0.93 3.52 9 -10 -15 13.23 3.59 9 -10 -16 5.97 2.49 -20 -9 13 0.16 3.87 -19 -9 13 -5.36 3.87 -15 -9 12 7.35 4.02 -12 -9 11 8.00 4.01 -10 -9 10 1.73 4.61 -8 -9 9 114.28 4.44 -5 -9 7 11.06 5.46 7 -9 -8 65.82 3.70 8 -9 -10 3.39 3.57 9 -9 -14 131.55 3.84 10 -9 -19 5.93 3.44 10 -9 -20 24.51 3.55 10 -9 -21 -0.87 3.32 10 -9 -22 15.59 3.44 10 -9 -23 4.25 3.37 10 -9 -24 1.42 3.32 10 -9 -25 9.19 3.53 10 -9 -26 5.83 3.47 -19 -8 13 19.68 3.99 -18 -8 13 36.75 3.94 -12 -8 11 67.66 4.95 1 -8 2 47.87 5.73 4 -8 -2 4.95 3.63 8 -8 -10 9.45 3.57 9 -8 -13 0.98 3.51 10 -8 -18 0.24 3.32 10 -8 -21 28.21 2.48 10 -8 -22 1.10 2.35 10 -8 -23 2.04 2.38 10 -8 -24 4.48 2.49 10 -8 -25 45.92 3.43 10 -8 -27 10.32 3.42 -18 -7 13 2.66 3.87 -14 -7 12 289.43 4.71 -6 -7 8 2.23 5.02 6 -7 -5 162.02 4.18 7 -7 -7 34.85 3.79 8 -7 -10 22.88 2.66 9 -7 -13 18.61 3.72 10 -7 -18 90.57 3.69 10 -7 -19 12.22 3.41 10 -7 -20 18.76 2.45 10 -7 -21 35.42 2.58 10 -7 -23 4.05 2.39 10 -7 -24 -0.89 2.45 10 -7 -25 5.07 2.43 10 -7 -27 7.67 3.49 10 -7 -28 9.00 3.42 -18 -6 13 39.74 4.02 -14 -6 12 27.66 3.95 -6 -6 8 20.25 5.10 8 -6 -10 39.15 2.60 9 -6 -13 51.84 3.64 10 -6 -18 17.51 3.52 10 -6 -19 49.59 3.61 10 -6 -20 10.32 2.43 10 -6 -21 7.54 2.53 10 -6 -22 4.79 2.47 10 -6 -23 -1.71 2.58 10 -6 -24 11.72 2.47 10 -6 -25 1.63 2.50 10 -6 -26 1.82 3.54 10 -6 -27 0.75 3.60 -19 -5 13 -3.73 3.80 -18 -5 13 2.19 2.69 -15 -5 12 5.20 3.94 -12 -5 11 27.45 4.00 4 -5 -2 178.09 4.74 8 -5 -10 141.16 3.94 9 -5 -13 10.43 3.56 9 -5 -14 29.53 2.63 10 -5 -19 8.75 3.50 10 -5 -21 3.41 3.47 10 -5 -22 29.58 2.55 10 -5 -23 10.73 3.49 10 -5 -24 15.29 3.52 10 -5 -25 37.75 3.54 10 -5 -27 0.31 3.47 -29 -4 13 3.37 3.94 -28 -4 13 9.41 4.04 -21 -4 13 -3.14 3.94 -20 -4 13 133.14 4.33 -19 -4 13 24.23 2.77 -15 -4 12 38.01 3.92 -10 -4 10 6.25 4.06 -5 -4 7 115.31 4.94 3 -4 -1 401.51 5.87 5 -4 -4 28.34 4.13 6 -4 -6 20.09 3.89 7 -4 -8 5.29 4.08 8 -4 -11 29.56 2.73 9 -4 -14 19.73 3.61 9 -4 -15 12.07 2.59 9 -4 -30 8.69 3.68 9 -4 -31 4.46 3.50 10 -4 -21 74.16 3.71 10 -4 -22 12.85 3.47 10 -4 -23 52.64 3.56 10 -4 -24 58.62 3.64 -29 -3 13 1.35 2.85 -28 -3 13 14.76 4.12 -27 -3 13 12.01 3.93 -26 -3 13 -1.00 4.16 -25 -3 13 -0.72 4.09 -24 -3 13 0.34 4.01 -23 -3 13 5.72 4.03 -22 -3 13 4.98 3.97 -21 -3 13 -0.96 2.86 -17 -3 12 2.45 4.08 -16 -3 12 5.89 2.85 -13 -3 11 -0.43 4.02 -11 -3 10 118.48 4.35 -9 -3 9 256.82 4.68 -7 -3 8 4.31 4.11 -3 -3 5 221.54 6.58 4 -3 -3 76.71 4.81 7 -3 -9 274.86 3.68 8 -3 -12 291.22 3.39 9 -3 -16 5.94 3.66 9 -3 -28 4.99 2.43 9 -3 -29 8.19 3.60 -19 -2 12 54.14 4.15 -18 -2 12 3.58 3.98 -14 -2 11 2.63 2.87 -12 -2 10 1.43 4.04 7 -2 -10 21.93 4.09 8 -2 -13 19.62 3.77 8 -2 -31 7.22 2.64 9 -2 -18 8.79 3.56 9 -2 -19 40.81 3.59 9 -2 -20 52.53 2.69 9 -2 -24 0.41 2.33 9 -2 -25 8.22 2.44 9 -2 -26 13.67 3.51 9 -2 -27 -1.00 3.59 -30 -1 12 -0.85 2.66 -29 -1 12 7.70 3.89 -27 -1 12 12.10 4.12 -26 -1 12 5.49 3.84 -25 -1 12 6.22 3.89 -24 -1 12 16.82 3.97 -23 -1 12 9.94 3.89 -22 -1 12 17.21 4.09 -21 -1 12 9.30 3.87 -20 -1 12 32.51 2.84 -13 -1 10 0.40 3.85 -11 -1 9 298.05 4.70 -9 -1 8 46.24 4.18 -7 -1 7 47.68 3.27 -2 -1 3 254.01 7.39 3 -1 -3 4.66 5.81 8 -1 -15 297.93 4.12 8 -1 -29 4.56 3.55 8 -1 -30 7.01 3.63 -30 0 11 7.45 3.86 -19 0 11 9.05 4.12 -18 0 11 0.99 2.88 -15 0 10 18.03 4.05 -12 0 9 3.07 2.96 -10 0 8 67.51 4.75 -4 0 4 101.59 6.07 4 0 -6 211.53 4.19 5 0 -8 20.21 3.01 7 0 -31 4.61 3.58 7 0 -32 29.35 3.71 8 0 -18 74.40 3.65 8 0 -19 2.60 3.66 8 0 -20 3.53 3.68 8 0 -21 2.27 2.55 8 0 -22 38.96 2.65 8 0 -23 1.58 2.43 8 0 -24 66.15 2.81 8 0 -25 -4.50 3.59 8 0 -26 14.71 3.53 -27 1 11 21.24 2.92 -26 1 11 6.65 2.67 -25 1 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19.45 3.01 -24 -6 13 4.74 2.80 -23 -6 13 22.13 2.80 -17 -6 12 -0.38 4.01 -16 -6 12 4.17 4.06 -13 -6 11 39.01 4.06 9 -6 -11 48.37 3.62 10 -6 -14 20.76 3.49 10 -6 -15 50.34 2.67 11 -6 -19 2.00 3.55 11 -6 -20 8.86 3.50 11 -6 -21 10.47 3.51 11 -6 -22 15.71 3.54 11 -6 -23 6.26 3.52 11 -6 -24 23.44 3.59 11 -6 -26 22.33 3.50 11 -6 -27 -3.76 3.66 11 -6 -28 3.68 3.65 -17 -5 12 3.04 3.97 -13 -5 11 3.05 3.99 -5 -5 7 28.63 4.52 1 -5 2 149.53 8.03 5 -5 -3 80.08 4.21 8 -5 -9 269.11 3.36 9 -5 -11 141.60 3.87 10 -5 -15 10.04 3.61 11 -5 -20 161.60 3.87 11 -5 -21 5.18 3.46 11 -5 -22 8.94 3.53 11 -5 -23 9.61 3.52 11 -5 -24 13.89 3.52 11 -5 -25 -2.89 3.62 11 -5 -26 1.44 3.58 -29 -4 12 15.25 4.10 -19 -4 12 6.66 4.09 -18 -4 12 116.49 4.18 -14 -4 11 112.65 4.23 -11 -4 10 31.10 4.10 -9 -4 9 43.03 4.19 -7 -4 8 8.17 4.43 -4 -4 6 142.51 5.22 4 -4 -2 132.09 4.81 7 -4 -7 203.09 4.44 8 -4 -9 43.12 4.05 9 -4 -12 3.20 3.65 10 -4 -16 67.29 3.72 -29 -3 12 2.55 2.81 -28 -3 12 0.43 4.07 -27 -3 12 8.45 4.05 -26 -3 12 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18.41 2.88 -22 -2 11 21.50 2.95 -21 -2 11 -0.44 2.67 -15 -2 10 86.63 3.06 -12 -2 9 7.37 4.04 4 -2 -3 314.53 5.01 6 -2 -6 188.45 4.75 7 -2 -8 184.81 3.57 8 -2 -10 28.65 4.18 9 -2 -13 100.89 2.83 10 -2 -16 24.83 3.71 10 -2 -17 89.95 2.76 10 -2 -31 0.75 2.63 11 -2 -24 -1.63 3.40 11 -2 -25 -2.19 3.49 -29 -1 10 4.48 2.79 -28 -1 10 14.68 3.94 -27 -1 10 10.91 4.04 -19 -1 10 12.83 4.03 -18 -1 10 16.16 4.12 -17 -1 10 1.74 2.93 -14 -1 9 389.35 4.76 -11 -1 8 13.01 4.30 -5 -1 5 55.74 3.67 6 -1 -7 1.98 4.26 7 -1 -9 15.79 4.29 9 -1 -14 28.40 3.78 10 -1 -19 66.07 3.73 10 -1 -20 3.60 2.56 10 -1 -27 5.85 2.54 10 -1 -28 1.19 3.52 10 -1 -29 21.46 3.71 10 -1 -30 4.46 3.67 -30 0 9 -1.55 3.93 -16 0 9 -0.14 4.10 -10 0 7 1.52 4.62 -8 0 6 140.84 4.79 4 0 -5 -0.66 3.71 8 0 -13 -4.08 3.82 9 0 -17 -0.17 3.55 9 0 -30 35.43 2.76 9 0 -31 -0.19 3.65 -30 1 8 4.70 4.04 -26 1 9 8.35 2.82 -25 1 9 3.11 2.82 -24 1 9 8.00 3.98 -23 1 9 -5.91 4.03 -22 1 9 -1.86 4.13 -21 1 9 16.26 2.87 -20 1 9 66.89 3.06 -15 1 8 12.17 4.13 -12 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7.22 3.66 11 -9 -14 81.15 3.89 11 -9 -15 8.82 2.49 12 -9 -19 38.98 3.74 12 -9 -20 8.27 3.48 12 -9 -21 20.67 2.50 12 -9 -22 12.11 2.54 12 -9 -26 0.66 2.47 -16 -8 11 0.11 3.82 -12 -8 10 13.24 4.00 5 -8 -2 41.41 3.88 7 -8 -5 84.06 3.97 8 -8 -7 76.43 2.91 9 -8 -9 38.30 2.62 10 -8 -11 56.31 3.86 11 -8 -14 9.68 3.59 12 -8 -20 -0.34 2.37 -16 -7 11 73.27 4.19 -15 -7 11 2.46 2.80 -12 -7 10 73.37 4.27 -7 -7 8 184.35 4.85 5 -7 -2 321.34 5.02 7 -7 -5 9.61 3.86 9 -7 -9 54.03 2.78 10 -7 -11 108.48 3.79 11 -7 -14 107.03 3.79 12 -7 -18 9.20 3.52 12 -7 -19 11.49 3.45 12 -7 -20 9.14 2.53 12 -7 -28 3.91 2.57 -28 -6 11 7.51 4.02 -16 -6 11 6.80 4.04 -12 -6 10 5.03 4.06 7 -6 -5 154.93 4.21 8 -6 -7 0.91 2.70 9 -6 -9 13.93 3.75 10 -6 -11 15.82 3.68 11 -6 -14 4.10 3.59 11 -6 -15 98.45 2.84 12 -6 -18 36.24 3.58 12 -6 -19 26.67 3.66 12 -6 -20 0.24 2.54 12 -6 -28 4.25 2.51 12 -6 -29 2.66 3.57 -27 -5 11 12.80 4.00 -17 -5 11 -1.81 4.03 -16 -5 11 22.32 3.01 -13 -5 10 4.36 3.97 -10 -5 9 40.60 4.36 -4 -5 6 4.20 4.57 3 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1 -24 2.53 2.58 10 1 -25 1.94 2.65 10 1 -26 6.93 2.48 10 1 -27 7.96 2.65 10 1 -28 4.40 3.81 10 1 -29 27.89 3.79 10 1 -30 1.54 3.79 -29 2 6 15.37 2.89 -28 2 6 17.27 4.13 -15 2 6 -0.80 4.16 -9 2 4 540.70 5.82 -7 2 3 157.47 5.30 5 2 -9 184.03 3.66 7 2 -13 98.05 4.01 8 2 -16 3.02 3.82 9 2 -20 60.24 3.91 9 2 -21 21.79 3.75 9 2 -22 20.69 2.73 9 2 -28 9.13 2.73 9 2 -29 6.63 3.71 9 2 -30 18.52 3.85 9 2 -31 4.96 3.91 -31 3 4 6.20 4.03 -29 3 5 8.68 2.79 -28 3 5 17.49 4.05 -27 3 5 25.38 4.19 -16 3 5 140.41 4.52 -15 3 5 10.13 4.14 -12 3 4 94.12 4.56 -3 3 -1 159.54 7.28 4 3 -9 184.56 6.14 5 3 -11 282.93 5.07 6 3 -13 3.71 4.00 7 3 -16 17.06 3.92 8 3 -20 41.91 3.79 8 3 -21 17.03 3.74 8 3 -22 68.26 2.94 8 3 -28 13.04 2.70 8 3 -29 13.44 3.69 8 3 -30 7.84 3.84 8 3 -31 4.04 4.78 -31 4 3 8.31 4.07 -30 4 3 7.87 4.09 -28 4 4 -2.77 2.85 -26 4 4 -2.81 3.85 -17 4 4 51.52 4.26 -16 4 4 16.50 4.16 -10 4 2 12.67 4.41 -8 4 1 25.18 4.49 2 4 -8 321.27 6.95 5 4 -14 7.01 3.84 6 4 -17 12.09 3.89 7 4 -21 126.04 4.15 7 4 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4 -22 70.12 4.05 8 4 -23 40.12 2.76 8 4 -29 0.48 2.71 8 4 -30 4.20 3.84 -30 5 0 40.66 4.23 -29 5 0 -1.52 4.02 -27 5 1 9.65 3.99 -26 5 1 1.71 4.10 -14 5 1 1.76 4.11 -5 5 -3 83.03 6.12 2 5 -10 69.05 4.71 6 5 -19 3.92 3.90 7 5 -23 19.10 3.79 7 5 -24 6.09 3.86 7 5 -25 1.30 3.76 7 5 -26 30.10 3.86 7 5 -27 11.01 3.87 7 5 -28 -0.24 3.85 -28 6 -1 32.60 4.19 -27 6 -1 10.87 3.97 -24 6 0 14.82 4.07 -23 6 0 -8.00 4.14 -22 6 0 21.55 4.31 -21 6 0 2.62 4.12 -20 6 0 45.20 4.33 -19 6 0 6.91 4.34 -18 6 0 203.34 4.86 -17 6 0 -4.48 4.29 -16 6 0 285.81 3.69 -13 6 -1 122.87 4.61 -10 6 -2 2.18 4.18 -8 6 -3 35.22 4.59 -5 6 -5 21.30 6.17 3 6 -15 109.19 4.44 4 6 -17 -3.11 4.79 5 6 -21 21.38 4.03 5 6 -22 49.13 3.96 5 6 -30 6.52 4.06 5 6 -31 -3.96 4.07 -27 7 -3 41.68 4.26 -25 7 -2 3.51 2.88 -24 7 -2 13.50 4.34 -23 7 -2 8.50 4.07 -17 7 -2 59.62 4.17 -16 7 -2 18.11 4.27 -10 7 -4 7.87 4.15 0 7 -13 1.98 4.91 2 7 -17 76.67 5.27 3 7 -20 2.36 4.94 -27 8 -5 8.80 4.18 -24 8 -4 -1.90 4.11 -23 8 -4 27.53 4.32 -22 8 -4 16.90 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3.59 15 -10 -23 13.80 3.76 -26 -9 9 5.04 4.07 -14 -9 9 7.67 4.36 -10 -9 8 4.28 5.03 -7 -9 7 13.48 5.18 3 -9 1 14.69 4.91 6 -9 -2 2.93 3.93 7 -9 -3 36.51 4.76 9 -9 -6 22.88 2.72 11 -9 -9 48.88 3.76 12 -9 -11 6.79 3.73 13 -9 -14 9.30 2.55 14 -9 -17 42.21 3.63 15 -9 -21 5.20 3.54 15 -9 -22 11.01 3.58 15 -9 -23 2.63 2.45 15 -9 -24 -1.54 2.48 -27 -8 9 3.17 2.88 -26 -8 9 19.70 4.23 -25 -8 9 17.24 4.17 -14 -8 9 -0.26 4.06 -13 -8 9 66.20 4.28 2 -8 2 15.53 5.67 7 -8 -3 31.38 4.09 11 -8 -9 27.11 3.76 12 -8 -11 64.18 3.84 13 -8 -13 159.44 4.22 14 -8 -16 13.19 3.55 14 -8 -17 13.37 2.44 15 -8 -20 1.64 3.57 15 -8 -21 8.02 3.52 15 -8 -22 -3.45 3.48 15 -8 -23 8.05 2.66 -27 -7 9 9.86 3.02 -26 -7 9 10.87 4.15 -25 -7 9 -0.02 4.11 -14 -7 9 152.93 4.51 -13 -7 9 21.94 4.24 7 -7 -3 76.91 4.09 11 -7 -9 34.25 3.77 12 -7 -11 169.57 4.15 13 -7 -13 16.90 3.60 14 -7 -16 41.74 3.63 14 -7 -17 110.26 2.74 15 -7 -23 2.76 2.52 -29 -6 8 13.48 4.18 -26 -6 9 -0.62 2.86 -25 -6 9 1.63 4.06 -24 -6 9 21.22 4.10 -14 -6 9 34.29 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25.39 2.72 15 -6 -14 13.11 3.55 16 -6 -17 -0.09 2.52 17 -6 -20 9.59 3.61 17 -6 -21 -4.47 2.61 -30 -5 5 -2.49 4.10 -28 -5 6 9.23 2.99 -27 -5 6 5.17 4.05 -24 -5 7 29.13 4.16 -23 -5 7 5.09 4.17 -11 -5 7 34.23 4.56 -4 -5 5 208.87 6.83 11 -5 -7 30.95 3.91 13 -5 -10 11.80 3.86 14 -5 -12 3.95 3.77 15 -5 -15 24.14 2.67 16 -5 -18 21.60 2.63 17 -5 -21 20.80 3.81 17 -5 -22 7.75 3.69 -31 -4 4 13.74 4.16 -29 -4 5 9.30 4.05 -27 -4 6 32.83 2.89 -26 -4 6 36.90 4.19 -23 -4 7 4.62 2.84 -22 -4 7 7.55 4.34 -21 -4 7 16.93 3.93 -13 -4 7 354.45 5.21 -12 -4 7 29.36 4.41 -8 -4 6 86.51 5.06 9 -4 -5 86.11 4.62 12 -4 -9 19.26 3.79 13 -4 -11 112.19 4.15 14 -4 -13 3.18 3.86 15 -4 -15 21.12 3.86 16 -4 -18 30.79 3.90 16 -4 -19 44.03 2.75 17 -4 -23 6.40 3.77 17 -4 -25 3.29 2.74 17 -4 -26 3.34 2.58 -31 -3 4 5.27 2.90 -28 -3 5 17.56 4.04 -25 -3 6 19.32 3.95 -24 -3 6 79.24 4.08 -19 -3 7 38.04 3.12 -18 -3 7 47.16 3.03 -17 -3 7 18.88 4.14 -16 -3 7 3.19 2.97 -15 -3 7 57.88 3.22 -9 -3 6 38.48 3.29 -6 -3 5 915.50 7.51 10 -3 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3 4.05 3.38 -9 2 2 134.51 5.16 -6 2 1 4.26 5.46 7 2 -9 22.19 4.39 9 2 -12 11.78 4.03 10 2 -14 37.51 4.11 11 2 -16 8.45 3.91 12 2 -19 10.23 3.83 13 2 -23 42.84 3.89 13 2 -24 6.33 3.75 13 2 -25 13.78 3.85 13 2 -26 43.00 2.90 13 2 -30 3.96 2.73 -30 3 -1 -0.34 4.01 -28 3 0 62.90 3.04 -27 3 0 -2.03 3.90 -25 3 1 17.03 4.05 -24 3 1 49.80 4.18 -20 3 2 10.51 4.29 -19 3 2 15.86 4.23 -18 3 2 -0.01 4.25 -17 3 2 1.40 4.26 -16 3 2 35.16 4.21 -15 3 2 8.44 4.22 -14 3 2 100.02 3.42 -9 3 1 127.43 3.71 7 3 -11 0.20 4.19 10 3 -17 59.35 2.99 11 3 -19 31.25 4.00 11 3 -20 -2.44 3.76 12 3 -25 32.43 3.91 12 3 -26 6.67 3.83 12 3 -27 5.04 3.86 12 3 -28 4.21 2.88 12 3 -29 30.20 3.92 12 3 -30 6.22 3.95 -31 4 -3 5.58 4.14 -29 4 -2 -11.39 4.11 -27 4 -1 16.38 4.04 -26 4 -1 -3.79 4.21 -24 4 0 1.79 2.99 -23 4 0 4.98 4.20 -11 4 0 0.50 4.42 -5 4 -2 219.05 5.88 4 4 -9 5.40 4.70 8 4 -15 3.38 3.93 10 4 -21 74.70 3.98 11 4 -26 2.10 3.90 11 4 -27 6.30 3.89 11 4 -28 11.46 3.96 11 4 -29 0.40 3.91 11 4 -30 5.43 3.93 -30 5 -4 11.80 2.96 -28 5 -3 13.57 4.15 -27 5 -3 9.91 4.20 -25 5 -2 5.35 4.16 -22 5 -1 32.02 3.18 -21 5 -1 88.07 4.42 -20 5 -1 33.89 4.35 -14 5 -1 4.90 4.54 -13 5 -1 29.72 4.58 -9 5 -2 46.45 4.77 3 5 -10 151.16 5.95 8 5 -19 5.34 4.03 9 5 -22 5.94 3.98 9 5 -23 9.03 3.84 -30 6 -6 6.35 4.24 -28 6 -5 15.11 4.21 -26 6 -4 11.91 4.11 -25 6 -4 20.79 4.14 -23 6 -3 6.58 4.17 -22 6 -3 57.45 4.35 -12 6 -3 18.15 4.44 4 6 -14 32.72 5.29 5 6 -16 0.77 4.02 6 6 -18 4.78 3.98 7 6 -21 64.01 4.28 8 6 -26 -1.25 3.93 8 6 -27 -1.18 4.05 8 6 -28 0.65 4.08 8 6 -29 10.00 4.09 8 6 -30 7.19 4.12 -28 7 -7 4.20 4.36 -27 7 -7 40.39 4.43 -26 7 -6 -2.46 2.93 -25 7 -6 4.69 4.24 -23 7 -5 49.25 4.23 -22 7 -5 8.80 4.09 -12 7 -5 16.67 4.11 3 7 -16 5.82 4.96 4 7 -18 37.73 5.07 5 7 -21 31.16 3.96 6 7 -25 6.12 4.88 6 7 -26 0.19 4.10 6 7 -27 10.81 4.04 6 7 -28 -0.38 4.24 6 7 -29 11.06 4.13 6 7 -30 1.07 4.15 -26 8 -9 8.97 4.27 -25 8 -8 3.22 2.94 -24 8 -8 10.36 4.17 -22 8 -7 76.28 3.26 -21 8 -7 7.53 4.07 -20 8 -7 131.86 4.53 -14 8 -7 5.47 5.20 -13 8 -7 84.89 4.47 -10 8 -8 92.17 5.53 -6 8 -10 5.83 6.70 1 8 -17 30.02 6.02 2 8 -19 71.29 5.28 3 8 -22 7.64 4.04 4 8 -27 28.41 5.31 4 8 -28 18.19 5.29 4 8 -29 -1.09 5.18 -25 9 -11 4.49 4.27 -24 9 -11 15.19 4.30 -22 9 -10 12.01 4.24 -21 9 -10 4.65 4.18 -13 9 -10 3.04 5.23 -10 9 -11 10.28 5.39 -8 9 -12 22.75 6.27 0 9 -21 -0.18 5.18 1 9 -24 1.94 5.08 1 9 -25 6.01 5.00 -23 10 -14 16.59 4.42 -22 10 -14 4.62 5.18 -20 10 -13 1.54 4.28 -19 10 -13 2.46 4.23 -18 10 -13 3.94 5.24 -17 10 -13 3.22 5.06 -16 10 -13 3.64 5.26 -15 10 -13 -0.98 5.22 -3 10 -22 54.30 8.02 -2 10 -26 3.33 5.96 -2 10 -27 2.24 6.03 -19 11 -18 -3.56 5.17 -18 11 -18 3.46 5.31 -17 11 -18 0.70 5.35 -16 11 -18 3.45 5.17 -15 11 -18 0.88 5.14 -11 11 -20 22.30 7.33 -10 11 -21 1.43 8.29 0 -18 -2 3.45 5.93 -10 -17 3 0.73 6.13 3 -17 -3 3.37 4.92 4 -17 -4 6.34 5.09 6 -17 -6 0.85 3.91 7 -17 -7 0.54 4.01 3 -16 -2 3.62 4.91 8 -16 -7 19.50 4.17 9 -16 -8 6.20 4.83 -12 -15 5 10.47 5.21 0 -15 1 1.84 6.97 3 -15 -1 16.70 4.88 9 -15 -7 5.83 3.88 11 -15 -10 3.61 3.84 -19 -14 6 0.05 4.28 -18 -14 6 -1.07 4.19 -17 -14 6 2.16 4.24 -16 -14 6 1.35 4.23 -15 -14 6 7.70 4.19 -14 -14 6 -1.41 4.21 4 -14 -1 1.27 4.84 8 -14 -5 47.07 4.19 9 -14 -6 3.71 3.76 11 -14 -9 6.10 3.76 13 -14 -12 9.13 3.92 14 -14 -14 2.46 3.81 -11 -13 6 32.50 5.31 -4 -13 4 25.07 9.21 6 -13 -2 13.91 4.85 7 -13 -3 16.20 4.94 8 -13 -4 8.20 4.83 11 -13 -8 4.23 3.72 13 -13 -11 -0.12 3.78 14 -13 -13 45.30 3.93 15 -13 -15 4.92 3.73 -18 -12 7 26.54 4.32 -17 -12 7 3.63 4.27 -16 -12 7 10.19 4.20 -15 -12 7 3.04 4.25 10 -12 -6 32.32 3.99 11 -12 -7 10.12 3.82 13 -12 -10 4.38 3.62 14 -12 -12 13.55 3.75 15 -12 -14 10.72 3.76 16 -12 -17 4.22 3.63 -21 -11 7 0.56 4.13 -20 -11 7 4.77 4.26 -12 -11 7 2.33 4.19 7 -11 -2 9.91 4.80 8 -11 -3 24.83 3.94 9 -11 -4 18.69 3.97 12 -11 -8 -1.98 3.90 15 -11 -14 13.44 2.64 17 -11 -19 1.82 3.66 17 -11 -20 4.13 2.69 -26 -10 6 7.21 4.30 -23 -10 7 14.69 4.25 -22 -10 7 7.26 4.18 5 -10 0 3.22 5.11 10 -10 -5 8.28 3.95 13 -10 -9 13.07 3.84 14 -10 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